#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1dtl h LYS 6 N 0.00 0.30 -0.04 -0.72 3.11 -2.00 -1.77 116.57 115.46 1dtl h LYS 6 Ca 0.00 -0.02 -0.00 0.00 -2.81 0.00 0.00 60.65 57.82 1dtl h LYS 6 Cb 0.00 -0.07 -0.00 0.00 -1.00 0.00 0.00 32.23 31.16 1dtl h LYS 6 CO 0.00 0.20 0.01 0.00 -2.81 0.00 0.00 179.45 176.85 1dtl h ALA 7 N 1.57 0.05 -0.98 5.00 0.00 -2.03 -2.81 119.26 120.05 1dtl h ALA 7 Ca 0.39 -0.11 0.28 0.00 0.00 0.00 0.00 54.91 55.48 1dtl h ALA 7 Cb 0.64 -0.01 -0.04 0.00 0.00 0.00 0.00 17.79 18.37 1dtl h ALA 7 CO -0.46 -0.35 0.74 0.00 0.00 0.00 0.00 179.25 179.18 1dtl h ALA 8 N 0.82 2.90 -0.61 0.00 0.00 -1.80 0.34 119.26 120.90 1dtl h ALA 8 Ca 0.01 -0.03 0.15 0.00 0.00 0.00 0.00 54.91 55.03 1dtl h ALA 8 Cb 0.20 0.07 -0.03 0.00 0.00 0.00 0.00 17.79 18.03 1dtl h ALA 8 CO -0.00 -1.24 0.42 0.28 0.00 0.00 0.00 179.25 178.71 1dtl h VAL 9 N 0.00 0.77 0.00 0.00 2.07 -1.19 0.13 116.25 118.03 1dtl h VAL 9 Ca 0.46 -0.06 0.00 0.00 0.82 0.00 0.00 66.70 67.92 1dtl h VAL 9 Cb 1.93 0.58 0.00 0.00 -1.52 0.00 0.00 31.29 32.28 1dtl h VAL 9 CO -0.00 0.03 0.00 -0.62 0.02 0.00 0.00 177.57 177.00 1dtl n GLU 10 N -4.42 0.88 0.11 1.57 -0.58 0.12 -2.47 120.64 115.85 1dtl n GLU 10 Ca 0.11 0.00 0.11 0.00 -0.42 0.00 0.00 57.16 56.96 1dtl n GLU 10 Cb 0.55 -1.33 0.01 0.00 -0.57 0.00 0.00 31.44 30.10 1dtl n GLU 10 CO 0.00 0.00 0.00 1.96 -0.48 0.00 0.00 177.13 178.61 1dtl h GLN 11 N 0.00 0.00 -6.94 3.49 4.20 -0.87 -3.47 115.11 111.52 1dtl h GLN 11 Ca 0.00 0.00 -0.53 0.00 0.06 0.00 0.00 58.65 58.18 1dtl h GLN 11 Cb 0.00 0.00 0.09 0.00 0.30 0.00 0.00 27.48 27.87 1dtl h GLN 11 CO 0.00 0.02 0.65 -0.51 -0.67 0.00 0.00 178.83 178.32 1dtl s LEU 12 N -5.48 4.24 0.93 1.46 1.43 -1.03 -4.99 118.68 115.23 1dtl s LEU 12 Ca 0.00 2.75 -0.12 0.00 -1.03 0.00 0.00 54.13 55.72 1dtl s LEU 12 Cb 0.09 -3.84 0.15 0.00 0.03 0.00 0.00 46.19 42.61 1dtl s LEU 12 CO 0.78 -0.86 1.12 0.42 0.23 0.00 0.00 176.35 178.04 1dtl s THR 13 N -1.22 2.12 0.33 5.49 -4.23 -1.26 -4.88 115.64 111.99 1dtl s THR 13 Ca 0.56 0.04 0.15 0.00 -1.18 0.00 0.00 61.69 61.26 1dtl s THR 13 Cb -0.40 -2.71 0.11 0.00 1.34 0.00 0.00 72.50 70.84 1dtl s THR 13 CO 0.52 -0.05 1.82 -0.08 -0.54 0.00 0.00 174.62 176.29 1dtl h GLU 14 N -1.58 0.00 -0.04 3.99 4.81 -1.98 -2.80 114.58 116.98 1dtl h GLU 14 Ca -0.51 0.00 -0.22 0.00 -0.13 0.00 0.00 59.36 58.50 1dtl h GLU 14 Cb 1.33 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.71 1dtl h GLU 14 CO 0.60 0.36 -0.88 1.49 -0.73 0.00 0.00 179.01 179.86 1dtl h GLU 15 N 0.00 0.50 -0.63 1.92 4.22 -2.00 -2.54 114.58 116.05 1dtl h GLU 15 Ca -0.00 -0.48 -0.03 0.00 0.08 0.00 0.00 59.36 58.92 1dtl h GLU 15 Cb 0.70 0.13 -0.03 0.00 0.50 0.00 0.00 28.75 30.05 1dtl h GLU 15 CO 0.05 1.12 0.28 1.96 -2.18 0.00 0.00 179.01 180.24 1dtl h GLN 16 N 0.30 0.93 -0.88 1.92 4.20 -1.87 -1.79 115.11 117.92 1dtl h GLN 16 Ca -0.07 -0.15 -0.01 0.00 0.06 0.00 0.00 58.65 58.48 1dtl h GLN 16 Cb 1.51 -0.16 -0.04 0.00 0.30 0.00 0.00 27.48 29.08 1dtl h GLN 16 CO 0.16 0.76 0.53 0.87 -0.67 0.00 0.00 178.83 180.48 1dtl h LYS 17 N 0.88 1.20 -0.56 1.46 1.57 -1.41 0.12 116.57 119.83 1dtl h LYS 17 Ca 0.21 -0.11 -0.07 0.00 -1.87 0.00 0.00 60.65 58.81 1dtl h LYS 17 Cb 0.16 -0.25 -0.02 0.00 0.08 0.00 0.00 32.23 32.20 1dtl h LYS 17 CO -0.02 0.85 0.06 -0.97 -0.57 0.00 0.00 179.45 178.80 1dtl h ASN 18 N 1.22 0.91 -0.53 0.86 -0.73 -1.28 0.12 115.58 116.16 1dtl h ASN 18 Ca 0.32 -0.28 -0.04 0.00 1.87 0.00 0.00 56.30 58.17 1dtl h ASN 18 Cb -0.04 -0.24 -0.02 0.00 0.27 0.00 0.00 38.32 38.28 1dtl h ASN 18 CO -0.06 0.96 0.17 -0.33 -0.37 0.00 0.00 177.43 177.80 1dtl h GLU 19 N 0.83 0.82 -0.13 6.67 5.08 -0.74 0.80 114.58 127.92 1dtl h GLU 19 Ca 0.17 -0.17 -0.06 0.00 -1.00 0.00 0.00 59.36 58.30 1dtl h GLU 19 Cb 0.45 -0.12 -0.01 0.00 0.50 0.00 0.00 28.75 29.57 1dtl h GLU 19 CO 0.02 0.75 -0.18 0.74 -1.00 0.00 0.00 179.01 179.34 1dtl h PHE 20 N 0.73 0.23 -0.65 4.33 0.04 -0.36 -2.15 116.94 119.11 1dtl h PHE 20 Ca 0.17 -0.03 -0.07 0.00 2.80 0.00 0.00 57.97 60.84 1dtl h PHE 20 Cb 0.27 -0.06 -0.03 0.00 2.20 0.00 0.00 35.95 38.33 1dtl h PHE 20 CO 0.01 0.39 0.14 -0.22 -0.60 0.00 0.00 178.31 178.04 1dtl h LYS 21 N 0.20 1.05 -0.58 1.51 1.63 0.30 0.40 116.57 121.08 1dtl h LYS 21 Ca 0.04 -0.26 -0.04 0.00 -0.85 0.00 0.00 60.65 59.54 1dtl h LYS 21 Cb 0.44 -0.13 -0.03 0.00 -0.60 0.00 0.00 32.23 31.91 1dtl h LYS 21 CO 0.03 0.95 0.21 0.00 -3.45 0.00 0.00 179.45 177.19 1dtl h ALA 22 N 1.05 1.27 -0.20 5.00 0.00 -0.27 0.11 119.26 126.22 1dtl h ALA 22 Ca 0.20 -0.17 -0.11 0.00 0.00 0.00 0.00 54.91 54.83 1dtl h ALA 22 Cb 0.39 -0.24 -0.00 0.00 0.00 0.00 0.00 17.79 17.94 1dtl h ALA 22 CO 0.01 0.53 -0.31 0.00 0.00 0.00 0.00 179.25 179.47 1dtl h ALA 23 N 1.39 0.30 -0.81 0.00 0.00 -0.84 -3.13 119.26 116.17 1dtl h ALA 23 Ca 0.20 -0.41 0.06 0.00 0.00 0.00 0.00 54.91 54.75 1dtl h ALA 23 Cb 0.21 -0.05 -0.06 0.00 0.00 0.00 0.00 17.79 17.88 1dtl h ALA 23 CO -0.01 0.33 0.50 0.35 0.00 0.00 0.00 179.25 180.41 1dtl h PHE 24 N 0.22 0.92 -0.78 0.00 3.57 -0.35 -2.44 116.94 118.08 1dtl h PHE 24 Ca 0.02 0.03 0.11 0.00 3.53 0.00 0.00 57.97 61.66 1dtl h PHE 24 Cb 0.89 -0.30 -0.05 0.00 2.79 0.00 0.00 35.95 39.28 1dtl h PHE 24 CO 0.09 0.47 0.51 -0.44 -2.23 0.00 0.00 178.31 176.71 1dtl h ASP 25 N 0.92 0.58 -0.56 0.41 3.45 -0.75 -0.03 116.42 120.44 1dtl h ASP 25 Ca 0.35 0.02 -0.11 0.00 0.43 0.00 0.00 57.03 57.72 1dtl h ASP 25 Cb 0.14 -0.10 -0.02 0.00 -0.56 0.00 0.00 39.33 38.80 1dtl h ASP 25 CO -0.16 0.33 -0.08 0.40 -1.57 0.00 0.00 179.24 178.16 1dtl h ILE 26 N 0.63 1.27 -0.15 0.35 2.04 -1.41 -3.00 117.51 117.24 1dtl h ILE 26 Ca 0.37 -1.24 -0.08 0.00 1.00 0.00 0.00 64.86 64.92 1dtl h ILE 26 Cb 0.57 0.91 -0.01 0.00 -0.74 0.00 0.00 36.82 37.55 1dtl h ILE 26 CO -0.14 0.44 -0.25 -0.26 0.00 0.00 0.00 178.15 177.94 1dtl h PHE 27 N 0.93 0.29 -0.42 1.37 -1.00 -0.95 -3.03 116.94 114.14 1dtl h PHE 27 Ca 0.15 -0.05 0.00 0.00 2.81 0.00 0.00 57.97 60.88 1dtl h PHE 27 Cb 0.65 -0.07 0.00 0.00 3.61 0.00 0.00 35.95 40.13 1dtl h PHE 27 CO 0.04 0.50 0.00 1.33 -1.61 0.00 0.00 178.31 178.57 1dtl n VAL 28 N -4.16 1.14 -1.68 -0.55 0.24 -0.91 -4.74 118.33 107.67 1dtl n VAL 28 Ca -0.01 -0.74 -0.45 0.00 -2.04 0.00 0.00 64.34 61.10 1dtl n VAL 28 Cb 0.36 -0.00 -0.04 0.00 -1.47 0.00 0.00 33.84 32.69 1dtl n VAL 28 CO 0.00 0.00 0.00 -0.11 -2.14 0.00 0.00 176.83 174.58 1dtl n LEU 29 N 0.65 3.48 -2.11 1.34 0.00 -1.15 -1.13 117.00 118.09 1dtl n LEU 29 Ca 0.16 1.04 -0.19 0.00 0.00 0.00 0.00 56.01 57.03 1dtl n LEU 29 Cb 0.60 -1.46 -0.03 0.00 0.00 0.00 0.00 43.42 42.52 1dtl n LEU 29 CO 0.15 -0.08 -0.22 0.61 0.00 0.00 0.00 177.39 177.85 1dtl n GLY 30 N 3.83 0.31 3.90 -3.96 0.00 -1.26 -4.98 105.19 103.02 1dtl n GLY 30 Ca 0.18 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.90 1dtl n GLY 30 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1dtl s ALA 31 N -2.82 3.72 0.20 4.61 0.00 -0.28 -5.06 121.76 122.13 1dtl s ALA 31 Ca 0.00 -0.54 -0.30 0.00 0.00 0.00 0.00 51.96 51.12 1dtl s ALA 31 Cb 0.00 -2.20 -0.08 0.00 0.00 0.00 0.00 23.12 20.84 1dtl s ALA 31 CO 0.00 0.53 1.19 -2.00 0.00 0.00 0.00 175.76 175.48 1dtl s GLU 32 N -2.95 4.50 -1.39 0.00 2.12 -1.26 -3.28 118.70 116.44 1dtl s GLU 32 Ca 0.42 1.89 0.00 0.00 0.36 0.00 0.00 54.97 57.64 1dtl s GLU 32 Cb -0.11 -3.23 0.00 0.00 0.26 0.00 0.00 34.13 31.05 1dtl s GLU 32 CO 0.26 -0.06 0.00 -0.25 -0.54 0.00 0.00 175.26 174.67 1dtl n ASP 33 N 2.28 -3.61 -3.76 -1.70 8.00 -1.26 -3.13 116.55 113.37 1dtl n ASP 33 Ca 0.04 0.31 -0.29 0.00 0.71 0.00 0.00 54.79 55.56 1dtl n ASP 33 Cb 0.44 -3.32 0.02 0.00 -0.02 0.00 0.00 41.12 38.24 1dtl n ASP 33 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1dtl n GLY 34 N -0.33 -0.50 3.31 0.44 0.00 -1.20 -4.99 105.19 101.92 1dtl n GLY 34 Ca -0.14 0.18 -0.16 0.00 0.00 0.00 0.00 46.02 45.90 1dtl n GLY 34 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1dtl s SER 35 N -3.16 1.81 -0.29 1.61 1.04 -1.18 -4.84 113.70 108.69 1dtl s SER 35 Ca 0.60 -1.16 -0.20 0.00 0.48 0.00 0.00 55.95 55.67 1dtl s SER 35 Cb -0.30 0.01 -0.01 0.00 0.10 0.00 0.00 66.02 65.81 1dtl s SER 35 CO 0.74 -0.46 0.60 -0.63 0.98 0.00 0.00 173.24 174.47 1dtl s ILE 36 N -3.40 4.97 0.42 -1.02 1.01 0.43 -4.66 121.20 118.96 1dtl s ILE 36 Ca 0.25 0.88 0.05 0.00 0.00 0.00 0.00 60.65 61.82 1dtl s ILE 36 Cb 0.05 -3.95 0.05 0.00 0.01 0.00 0.00 42.46 38.61 1dtl s ILE 36 CO 0.06 -0.07 0.38 -1.54 0.00 0.00 0.00 174.94 173.77 1dtl n SER 37 N 5.78 2.19 0.15 3.58 3.41 -1.26 -0.40 113.62 127.07 1dtl n SER 37 Ca -0.02 -2.39 0.08 0.00 -0.26 0.00 0.00 58.87 56.29 1dtl n SER 37 Cb 0.49 -0.09 0.59 0.00 -0.26 0.00 0.00 64.21 64.93 1dtl n SER 37 CO 0.00 0.00 0.00 0.71 -0.16 0.00 0.00 175.04 175.59 1dtl h THR 38 N 0.51 0.99 -0.01 6.66 1.35 -1.89 -2.02 112.91 118.50 1dtl h THR 38 Ca -0.25 -0.05 -0.00 0.00 -0.55 0.00 0.00 66.41 65.55 1dtl h THR 38 Cb 0.97 0.82 -0.00 0.00 -1.73 0.00 0.00 68.15 68.21 1dtl h THR 38 CO 0.39 0.03 0.01 0.50 -0.25 0.00 0.00 175.52 176.20 1dtl h LYS 39 N 0.16 0.02 -0.35 4.72 3.64 -1.98 0.83 116.57 123.61 1dtl h LYS 39 Ca 0.08 -0.00 -0.16 0.00 -1.27 0.00 0.00 60.65 59.29 1dtl h LYS 39 Cb 0.12 -0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 31.93 1dtl h LYS 39 CO -0.01 0.10 -0.43 0.93 -2.27 0.00 0.00 179.45 177.77 1dtl h GLU 40 N -0.07 0.90 -0.89 1.90 3.07 -1.77 -1.52 114.58 116.20 1dtl h GLU 40 Ca 0.00 -0.49 -0.00 0.00 -0.50 0.00 0.00 59.36 58.37 1dtl h GLU 40 Cb 0.09 0.03 -0.04 0.00 -0.84 0.00 0.00 28.75 27.98 1dtl h GLU 40 CO -0.00 1.14 0.54 1.25 -1.40 0.00 0.00 179.01 180.54 1dtl h LEU 41 N 0.72 1.06 -0.48 1.33 5.85 -1.25 -1.61 115.31 120.93 1dtl h LEU 41 Ca 0.05 -0.06 -0.07 0.00 0.84 0.00 0.00 57.88 58.64 1dtl h LEU 41 Cb 1.02 -0.27 -0.02 0.00 0.37 0.00 0.00 40.66 41.76 1dtl h LEU 41 CO 0.10 0.80 0.02 1.23 -0.34 0.00 0.00 178.44 180.26 1dtl h GLY 42 N 1.21 0.89 0.92 3.75 0.00 -0.65 -1.35 103.07 107.85 1dtl h GLY 42 Ca 0.32 -0.64 0.01 0.00 0.00 0.00 0.00 47.33 47.02 1dtl h GLY 42 CO -0.06 0.59 0.17 0.07 0.00 0.00 0.00 176.54 177.31 1dtl h LYS 43 N 0.68 0.34 -0.20 4.80 2.10 -0.89 -0.18 116.57 123.22 1dtl h LYS 43 Ca 0.14 -0.02 -0.02 0.00 -2.00 0.00 0.00 60.65 58.75 1dtl h LYS 43 Cb 0.48 -0.08 -0.01 0.00 -0.90 0.00 0.00 32.23 31.72 1dtl h LYS 43 CO 0.02 0.23 0.05 0.28 -2.00 0.00 0.00 179.45 178.03 1dtl h VAL 44 N 0.35 1.20 -0.53 0.07 2.07 -1.20 -0.71 116.25 117.49 1dtl h VAL 44 Ca 0.12 -0.64 0.10 0.00 0.82 0.00 0.00 66.70 67.10 1dtl h VAL 44 Cb 0.00 1.24 -0.08 0.00 -1.52 0.00 0.00 31.29 30.93 1dtl h VAL 44 CO -0.06 0.20 0.05 0.24 0.02 0.00 0.00 177.57 178.02 1dtl h MET 45 N 0.15 0.16 -0.50 1.57 2.86 -1.10 -0.30 114.93 117.76 1dtl h MET 45 Ca 0.06 -0.01 -0.08 0.00 -2.06 0.00 0.00 59.70 57.61 1dtl h MET 45 Cb 0.26 -0.04 -0.02 0.00 0.06 0.00 0.00 31.60 31.86 1dtl h MET 45 CO -0.00 0.11 -0.02 0.00 1.06 0.00 0.00 176.91 178.06 1dtl h ARG 46 N 0.17 0.86 -0.02 1.72 3.08 -0.81 -1.67 114.38 117.70 1dtl h ARG 46 Ca 0.27 -0.25 -0.04 0.00 0.07 0.00 0.00 59.98 60.04 1dtl h ARG 46 Cb 0.41 -0.09 -0.01 0.00 0.08 0.00 0.00 29.97 30.36 1dtl h ARG 46 CO -0.41 0.87 -0.16 1.98 -1.07 0.00 0.00 179.97 181.18 1dtl h MET 47 N 0.79 0.03 -0.28 0.04 4.05 -0.15 -1.05 114.93 118.35 1dtl h MET 47 Ca 0.15 -0.00 0.00 0.00 -0.28 0.00 0.00 59.70 59.56 1dtl h MET 47 Cb 0.50 -0.00 0.00 0.00 -0.80 0.00 0.00 31.60 31.30 1dtl h MET 47 CO 0.03 0.19 0.00 1.28 0.23 0.00 0.00 176.91 178.64 1dtl n LEU 48 N -4.33 1.56 0.00 3.39 4.77 -0.22 -4.91 117.00 117.26 1dtl n LEU 48 Ca -0.02 -0.77 0.00 0.00 -0.03 0.00 0.00 56.01 55.19 1dtl n LEU 48 Cb 0.24 -0.19 0.00 0.00 -2.33 0.00 0.00 43.42 41.14 1dtl n LEU 48 CO 0.36 0.38 0.00 0.61 -1.33 0.00 0.00 177.39 177.42 1dtl n GLY 49 N 0.98 0.74 3.98 -0.72 0.00 -0.40 -4.80 105.19 104.97 1dtl n GLY 49 Ca 0.11 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.90 1dtl n GLY 49 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1dtl s GLN 50 N -0.38 2.03 -0.40 1.61 -1.52 -0.69 -5.00 119.66 115.30 1dtl s GLN 50 Ca 0.00 -0.92 0.08 0.00 -1.95 0.00 0.00 55.36 52.57 1dtl s GLN 50 Cb 0.00 -2.37 0.26 0.00 -0.22 0.00 0.00 33.01 30.68 1dtl s GLN 50 CO 0.00 -1.17 0.60 0.09 -0.25 0.00 0.00 175.29 174.56 1dtl n ASN 51 N -2.67 -0.27 -4.76 5.90 3.02 -1.26 -4.12 115.26 111.10 1dtl n ASN 51 Ca 0.12 -2.82 -0.33 0.00 -0.03 0.00 0.00 54.58 51.52 1dtl n ASN 51 Cb 0.60 -0.23 0.07 0.00 -0.61 0.00 0.00 39.78 39.61 1dtl n ASN 51 CO 0.00 0.00 0.00 -2.16 -2.62 0.00 0.00 177.26 172.48 1dtl s PRO 52 N -0.98 2.49 0.49 3.52 0.04 -1.26 -5.06 135.00 134.25 1dtl s PRO 52 Ca 0.35 1.42 0.02 0.00 0.04 0.00 0.00 61.00 62.83 1dtl s PRO 52 Cb 0.19 -1.91 0.02 0.00 0.04 0.00 0.00 34.50 32.84 1dtl s PRO 52 CO -0.13 -1.49 0.70 0.95 0.04 0.00 0.00 177.00 177.07 1dtl s THR 53 N -2.40 3.12 0.21 1.26 -4.23 -1.26 -4.96 115.64 107.38 1dtl s THR 53 Ca 0.67 -0.69 -0.09 0.00 -1.18 0.00 0.00 61.69 60.39 1dtl s THR 53 Cb -0.21 -3.14 0.15 0.00 1.34 0.00 0.00 72.50 70.64 1dtl s THR 53 CO 0.46 -0.09 1.83 -0.65 -0.54 0.00 0.00 174.62 175.62 1dtl h PRO 54 N 0.28 1.07 -0.33 3.99 0.11 -1.99 -2.11 132.00 133.02 1dtl h PRO 54 Ca -0.43 -0.12 0.00 0.00 0.11 0.00 0.00 66.00 65.56 1dtl h PRO 54 Cb 1.28 -0.21 -0.02 0.00 0.11 0.00 0.00 31.00 32.17 1dtl h PRO 54 CO 0.52 0.79 0.21 0.93 -0.21 0.00 0.00 178.00 180.24 1dtl h GLU 55 N 1.06 0.43 -0.08 1.05 3.07 -1.99 0.07 114.58 118.20 1dtl h GLU 55 Ca 0.27 -0.03 -0.00 0.00 -0.50 0.00 0.00 59.36 59.10 1dtl h GLU 55 Cb 0.03 -0.10 -0.00 0.00 -0.84 0.00 0.00 28.75 27.84 1dtl h GLU 55 CO -0.04 0.30 0.05 0.93 -1.40 0.00 0.00 179.01 178.84 1dtl h GLU 56 N 0.44 0.11 -0.79 2.33 5.08 -1.89 -0.51 114.58 119.34 1dtl h GLU 56 Ca 0.12 -0.01 -0.00 0.00 -1.00 0.00 0.00 59.36 58.47 1dtl h GLU 56 Cb -0.04 -0.02 -0.04 0.00 0.50 0.00 0.00 28.75 29.15 1dtl h GLU 56 CO -0.02 0.11 0.48 -0.07 -1.00 0.00 0.00 179.01 178.50 1dtl h LEU 57 N 0.08 0.95 -1.03 1.33 3.38 -1.10 -2.26 115.31 116.66 1dtl h LEU 57 Ca 0.03 -0.07 -0.08 0.00 0.09 0.00 0.00 57.88 57.85 1dtl h LEU 57 Cb 0.03 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 40.52 1dtl h LEU 57 CO -0.01 0.74 -0.19 -0.61 0.09 0.00 0.00 178.44 178.46 1dtl h GLN 58 N 1.09 0.46 -0.65 1.13 5.75 -0.83 -2.12 115.11 119.95 1dtl h GLN 58 Ca 0.28 -0.15 -0.08 0.00 -0.15 0.00 0.00 58.65 58.56 1dtl h GLN 58 Cb -0.04 -0.04 -0.03 0.00 1.07 0.00 0.00 27.48 28.45 1dtl h GLN 58 CO -0.05 0.64 0.11 1.49 -2.65 0.00 0.00 178.83 178.37 1dtl h GLU 59 N 0.42 1.06 -0.32 1.69 4.81 -0.84 -1.24 114.58 120.16 1dtl h GLU 59 Ca 0.07 -0.27 -0.17 0.00 -0.13 0.00 0.00 59.36 58.86 1dtl h GLU 59 Cb 0.58 -0.13 -0.00 0.00 0.63 0.00 0.00 28.75 29.83 1dtl h GLU 59 CO 0.04 0.97 -0.46 0.52 -0.73 0.00 0.00 179.01 179.35 1dtl h MET 60 N 1.00 0.87 -0.25 1.92 2.86 -0.84 -2.54 114.93 117.95 1dtl h MET 60 Ca 0.20 -0.51 -0.01 0.00 -2.06 0.00 0.00 59.70 57.31 1dtl h MET 60 Cb 0.42 0.04 -0.01 0.00 0.06 0.00 0.00 31.60 32.12 1dtl h MET 60 CO 0.01 1.15 0.10 0.82 1.06 0.00 0.00 176.91 180.05 1dtl h ILE 61 N 0.66 1.17 -0.23 -1.22 1.08 -1.26 -2.98 117.51 114.73 1dtl h ILE 61 Ca 0.03 -0.53 -0.04 0.00 -0.39 0.00 0.00 64.86 63.93 1dtl h ILE 61 Cb 1.06 1.07 -0.01 0.00 -3.07 0.00 0.00 36.82 35.87 1dtl h ILE 61 CO 0.11 0.18 -0.03 0.44 -0.69 0.00 0.00 178.15 178.15 1dtl h ASP 62 N 0.24 0.32 0.12 1.72 3.32 -1.25 -0.58 116.42 120.31 1dtl h ASP 62 Ca 0.08 -0.05 -0.02 0.00 0.02 0.00 0.00 57.03 57.06 1dtl h ASP 62 Cb 0.19 -0.08 -0.00 0.00 0.22 0.00 0.00 39.33 39.65 1dtl h ASP 62 CO -0.01 0.41 -0.09 -0.08 -1.72 0.00 0.00 179.24 177.75 1dtl h GLU 63 N 0.34 0.00 -0.00 3.56 4.57 -1.29 -3.21 114.58 118.55 1dtl h GLU 63 Ca 0.08 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.26 1dtl h GLU 63 Cb 0.28 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 28.87 1dtl h GLU 63 CO 0.01 0.09 -0.09 1.33 -1.18 0.00 0.00 179.01 179.17 1dtl n VAL 64 N -4.23 0.00 -2.60 0.32 0.24 -1.03 -4.90 118.33 106.13 1dtl n VAL 64 Ca -0.03 -0.46 -0.41 0.00 -2.04 0.00 0.00 64.34 61.41 1dtl n VAL 64 Cb 0.17 1.03 -0.03 0.00 -1.47 0.00 0.00 33.84 33.54 1dtl n VAL 64 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 1dtl s ASP 65 N -0.91 6.45 0.33 -1.34 3.68 -0.25 -4.85 116.67 119.78 1dtl s ASP 65 Ca 0.02 -1.33 0.11 0.00 2.13 0.00 0.00 52.55 53.48 1dtl s ASP 65 Cb 0.02 -2.55 0.57 0.00 -1.45 0.00 0.00 42.92 39.52 1dtl s ASP 65 CO 0.09 -1.52 1.75 -0.08 0.13 0.00 0.00 175.17 175.54 1dtl h GLU 66 N 9.75 0.05 -0.64 4.34 4.22 -1.90 -3.21 114.58 127.19 1dtl h GLU 66 Ca 0.10 -0.02 0.00 0.00 0.08 0.00 0.00 59.36 59.52 1dtl h GLU 66 Cb 1.02 -0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.27 1dtl h GLU 66 CO 1.37 0.48 0.00 -0.40 -2.18 0.00 0.00 179.01 178.28 1dtl n ASP 67 N -4.01 4.90 -2.09 1.04 5.75 -1.26 -4.93 116.55 115.95 1dtl n ASP 67 Ca -0.02 -2.52 -0.19 0.00 -0.01 0.00 0.00 54.79 52.05 1dtl n ASP 67 Cb 0.47 -0.59 -0.04 0.00 -1.03 0.00 0.00 41.12 39.94 1dtl n ASP 67 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1dtl n GLY 68 N 1.04 0.35 0.10 6.12 0.00 -1.22 -4.83 105.19 106.75 1dtl n GLY 68 Ca 0.26 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.41 1dtl n GLY 68 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1dtl n SER 69 N -1.66 0.70 0.00 1.61 3.41 -1.26 -4.88 113.62 111.54 1dtl n SER 69 Ca -0.21 0.59 0.00 0.00 -0.26 0.00 0.00 58.87 58.99 1dtl n SER 69 Cb 0.65 -0.77 0.00 0.00 -0.26 0.00 0.00 64.21 63.83 1dtl n SER 69 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1dtl n GLY 70 N 1.01 0.81 3.08 5.00 0.00 -1.26 -5.02 105.19 108.81 1dtl n GLY 70 Ca 0.05 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.99 1dtl n GLY 70 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1dtl s THR 71 N -3.11 0.25 -0.26 2.61 -4.23 -1.26 -4.68 115.64 104.96 1dtl s THR 71 Ca 0.00 -1.63 -0.07 0.00 -1.18 0.00 0.00 61.69 58.81 1dtl s THR 71 Cb 0.00 -1.28 -0.02 0.00 1.34 0.00 0.00 72.50 72.55 1dtl s THR 71 CO 0.00 -0.88 0.06 -0.69 -0.54 0.00 0.00 174.62 172.57 1dtl s VAL 72 N -3.37 4.12 0.65 2.29 1.01 0.46 -4.79 120.40 120.78 1dtl s VAL 72 Ca 0.03 -0.35 0.02 0.00 0.00 0.00 0.00 61.98 61.67 1dtl s VAL 72 Cb 0.04 -2.98 0.10 0.00 0.00 0.00 0.00 36.38 33.54 1dtl s VAL 72 CO -0.08 0.27 0.90 1.51 0.00 0.00 0.00 175.10 177.71 1dtl s ASP 73 N 1.57 4.69 0.25 3.32 3.84 -1.26 -0.43 116.67 128.66 1dtl s ASP 73 Ca 0.05 -0.41 -0.06 0.00 -0.00 0.00 0.00 52.55 52.14 1dtl s ASP 73 Cb -0.16 -0.11 0.27 0.00 -1.38 0.00 0.00 42.92 41.54 1dtl s ASP 73 CO 0.03 -1.60 1.92 0.15 -0.00 0.00 0.00 175.17 175.66 1dtl h PHE 74 N -0.25 1.24 -0.61 2.11 3.57 -1.99 -0.64 116.94 120.38 1dtl h PHE 74 Ca -0.36 0.02 0.02 0.00 3.53 0.00 0.00 57.97 61.17 1dtl h PHE 74 Cb 1.28 -0.42 -0.04 0.00 2.79 0.00 0.00 35.95 39.57 1dtl h PHE 74 CO 0.04 0.80 0.39 -0.44 -2.23 0.00 0.00 178.31 176.87 1dtl h ASP 75 N 1.32 0.64 0.51 0.41 3.32 -2.00 0.20 116.42 120.83 1dtl h ASP 75 Ca 0.35 -0.01 -0.09 0.00 0.02 0.00 0.00 57.03 57.31 1dtl h ASP 75 Cb -0.11 -0.15 -0.01 0.00 0.22 0.00 0.00 39.33 39.28 1dtl h ASP 75 CO -0.07 0.46 -0.41 -0.33 -1.72 0.00 0.00 179.24 177.17 1dtl h GLU 76 N 0.77 0.00 -0.25 3.56 5.08 -1.76 -1.97 114.58 120.01 1dtl h GLU 76 Ca 0.24 0.00 -0.07 0.00 -1.00 0.00 0.00 59.36 58.53 1dtl h GLU 76 Cb -0.03 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.22 1dtl h GLU 76 CO -0.08 0.41 -0.11 0.35 -1.00 0.00 0.00 179.01 178.57 1dtl h PHE 77 N 0.00 0.59 -0.13 4.33 3.57 0.30 -1.48 116.94 124.12 1dtl h PHE 77 Ca -0.00 -0.14 0.00 0.00 3.53 0.00 0.00 57.97 61.35 1dtl h PHE 77 Cb 0.77 -0.14 -0.01 0.00 2.79 0.00 0.00 35.95 39.37 1dtl h PHE 77 CO 0.00 0.77 0.09 -0.07 -2.23 0.00 0.00 178.31 176.87 1dtl h LEU 78 N 0.24 0.16 -0.46 0.59 3.38 -0.41 -1.46 115.31 117.34 1dtl h LEU 78 Ca 0.06 -0.02 0.03 0.00 0.09 0.00 0.00 57.88 58.03 1dtl h LEU 78 Cb 0.61 -0.04 -0.03 0.00 0.09 0.00 0.00 40.66 41.29 1dtl h LEU 78 CO 0.03 0.13 0.26 0.58 0.09 0.00 0.00 178.44 179.54 1dtl h VAL 79 N 0.17 1.02 -0.52 1.22 2.07 -1.33 0.28 116.25 119.16 1dtl h VAL 79 Ca 0.05 -0.18 0.09 0.00 0.82 0.00 0.00 66.70 67.49 1dtl h VAL 79 Cb 0.00 0.46 -0.08 0.00 -1.52 0.00 0.00 31.29 30.15 1dtl h VAL 79 CO -0.01 0.09 0.08 -0.03 0.02 0.00 0.00 177.57 177.72 1dtl h MET 80 N 0.51 0.20 -0.17 1.57 1.85 -1.07 0.15 114.93 117.97 1dtl h MET 80 Ca 0.19 -0.01 -0.05 0.00 -0.61 0.00 0.00 59.70 59.22 1dtl h MET 80 Cb 0.05 -0.05 -0.00 0.00 0.43 0.00 0.00 31.60 32.03 1dtl h MET 80 CO -0.10 0.13 -0.07 0.52 -0.40 0.00 0.00 176.91 176.99 1dtl h MET 81 N 0.21 0.35 -0.62 0.39 2.07 -0.44 -1.80 114.93 115.09 1dtl h MET 81 Ca 0.26 -0.15 0.06 0.00 -2.07 0.00 0.00 59.70 57.80 1dtl h MET 81 Cb 0.38 -0.01 -0.05 0.00 -1.87 0.00 0.00 31.60 30.04 1dtl h MET 81 CO -0.37 0.65 0.33 0.28 1.07 0.00 0.00 176.91 178.88 1dtl h VAL 82 N 0.04 0.96 -0.95 -2.22 2.07 -0.00 -1.16 116.25 114.98 1dtl h VAL 82 Ca 0.04 -0.21 0.04 0.00 0.82 0.00 0.00 66.70 67.39 1dtl h VAL 82 Cb 0.54 0.28 -0.06 0.00 -1.52 0.00 0.00 31.29 30.53 1dtl h VAL 82 CO 0.02 0.11 0.62 -0.09 0.02 0.00 0.00 177.57 178.26 1dtl h ARG 83 N 0.63 1.13 -0.08 1.57 2.43 -0.55 -1.31 114.38 118.19 1dtl h ARG 83 Ca 0.28 -0.07 -0.18 0.00 -0.81 0.00 0.00 59.98 59.20 1dtl h ARG 83 Cb 0.18 -0.26 -0.00 0.00 -0.42 0.00 0.00 29.97 29.47 1dtl h ARG 83 CO -0.18 0.75 -0.72 0.66 -1.51 0.00 0.00 179.97 178.98 1dtl h SER 84 N 1.17 0.49 0.03 -3.80 4.64 -0.36 -3.35 113.55 112.36 1dtl h SER 84 Ca 0.38 -0.31 -0.00 0.00 -0.47 0.00 0.00 61.79 61.39 1dtl h SER 84 Cb 0.05 -0.14 0.00 0.00 -0.31 0.00 0.00 62.40 62.00 1dtl h SER 84 CO -0.12 1.05 -0.01 0.24 -0.87 0.00 0.00 176.83 177.11 1dtl h MET 85 N 0.28 -0.04 -0.52 4.77 2.86 -0.82 -3.47 114.93 118.00 1dtl h MET 85 Ca -0.03 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.61 1dtl h MET 85 Cb 1.29 0.01 0.00 0.00 0.06 0.00 0.00 31.60 32.95 1dtl h MET 85 CO 0.12 -0.02 0.00 1.63 1.06 0.00 0.00 176.91 179.70 1dtl n LYS 86 N -2.20 0.00 0.00 1.72 5.02 -0.54 -5.05 118.16 117.12 1dtl n LYS 86 Ca -0.00 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.29 1dtl n LYS 86 Cb 0.01 -1.08 0.00 0.00 -0.02 0.00 0.00 35.03 33.94 1dtl n LYS 86 CO 0.00 0.00 0.00 1.17 -0.52 0.00 0.00 177.40 178.05 1dtl n LYS 92 N 0.59 0.00 -0.07 1.97 4.81 -1.26 -5.09 118.16 119.11 1dtl n LYS 92 Ca 0.00 0.00 -0.01 0.00 -0.87 0.00 0.00 58.31 57.43 1dtl n LYS 92 Cb 0.00 -0.08 0.26 0.00 0.02 0.00 0.00 35.03 35.23 1dtl n LYS 92 CO 0.00 0.00 0.00 1.03 1.17 0.00 0.00 177.40 179.60 1dtl h SER 93 N 0.00 0.64 -0.88 3.14 0.87 -1.99 -2.50 113.55 112.84 1dtl h SER 93 Ca 0.00 -0.10 -0.02 0.00 -1.23 0.00 0.00 61.79 60.44 1dtl h SER 93 Cb 0.00 -0.17 -0.04 0.00 -0.44 0.00 0.00 62.40 61.75 1dtl h SER 93 CO 0.00 0.64 0.48 -0.33 -0.53 0.00 0.00 176.83 177.09 1dtl h GLU 94 N 0.68 1.23 -0.23 2.24 4.39 -1.99 -1.05 114.58 119.85 1dtl h GLU 94 Ca 0.15 -0.15 -0.07 0.00 0.34 0.00 0.00 59.36 59.64 1dtl h GLU 94 Cb 0.25 -0.24 -0.01 0.00 -0.10 0.00 0.00 28.75 28.65 1dtl h GLU 94 CO -0.00 0.90 -0.13 0.93 -1.16 0.00 0.00 179.01 179.54 1dtl h GLU 95 N 1.23 0.50 -0.40 2.33 5.08 -1.91 -2.22 114.58 119.18 1dtl h GLU 95 Ca 0.31 -0.23 -0.05 0.00 -1.00 0.00 0.00 59.36 58.40 1dtl h GLU 95 Cb 0.03 -0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.25 1dtl h GLU 95 CO -0.05 0.78 0.06 0.93 -1.00 0.00 0.00 179.01 179.73 1dtl h GLU 96 N 0.20 0.61 -0.55 2.33 5.08 -1.22 -1.66 114.58 119.38 1dtl h GLU 96 Ca 0.05 -0.12 -0.06 0.00 -1.00 0.00 0.00 59.36 58.23 1dtl h GLU 96 Cb 0.65 -0.09 -0.02 0.00 0.50 0.00 0.00 28.75 29.78 1dtl h GLU 96 CO 0.04 0.59 0.12 -0.07 -1.00 0.00 0.00 179.01 178.69 1dtl h LEU 97 N 0.59 0.85 -0.28 1.33 4.07 -1.06 -1.30 115.31 119.50 1dtl h LEU 97 Ca 0.13 -0.24 -0.02 0.00 0.08 0.00 0.00 57.88 57.83 1dtl h LEU 97 Cb 0.29 -0.22 -0.01 0.00 1.08 0.00 0.00 40.66 41.79 1dtl h LEU 97 CO 0.00 0.87 0.09 -1.28 -1.08 0.00 0.00 178.44 177.04 1dtl h SER 98 N 0.79 0.40 -0.18 -0.43 0.87 -0.78 -0.56 113.55 113.66 1dtl h SER 98 Ca 0.17 -0.20 0.02 0.00 -1.23 0.00 0.00 61.79 60.55 1dtl h SER 98 Cb 0.36 -0.11 -0.02 0.00 -0.44 0.00 0.00 62.40 62.19 1dtl h SER 98 CO 0.00 0.49 0.05 0.44 -0.53 0.00 0.00 176.83 177.29 1dtl h ASP 99 N 0.29 0.04 -0.70 6.23 3.45 -1.21 -1.23 116.42 123.30 1dtl h ASP 99 Ca 0.09 0.02 0.08 0.00 0.43 0.00 0.00 57.03 57.66 1dtl h ASP 99 Cb 0.23 0.02 -0.07 0.00 -0.56 0.00 0.00 39.33 38.96 1dtl h ASP 99 CO -0.00 0.05 0.36 0.25 -1.57 0.00 0.00 179.24 178.32 1dtl h LEU 100 N 0.13 0.48 -0.19 1.55 5.85 -1.09 0.05 115.31 122.10 1dtl h LEU 100 Ca 0.08 0.05 0.00 0.00 0.84 0.00 0.00 57.88 58.85 1dtl h LEU 100 Cb 0.06 -0.03 -0.01 0.00 0.37 0.00 0.00 40.66 41.05 1dtl h LEU 100 CO -0.09 0.28 0.12 0.15 -0.34 0.00 0.00 178.44 178.56 1dtl h PHE 101 N 0.62 0.23 0.00 1.25 3.57 -0.57 -1.70 116.94 120.34 1dtl h PHE 101 Ca 0.34 0.01 -0.02 0.00 3.53 0.00 0.00 57.97 61.82 1dtl h PHE 101 Cb 0.32 -0.08 -0.00 0.00 2.79 0.00 0.00 35.95 38.98 1dtl h PHE 101 CO -0.10 0.15 -0.11 0.00 -2.23 0.00 0.00 178.31 176.02 1dtl h ARG 102 N 0.25 0.00 -0.59 1.11 3.08 -0.48 0.22 114.38 117.97 1dtl h ARG 102 Ca 0.07 0.00 -0.04 0.00 0.07 0.00 0.00 59.98 60.08 1dtl h ARG 102 Cb -0.03 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 30.00 1dtl h ARG 102 CO -0.01 0.11 0.22 0.52 -1.07 0.00 0.00 179.97 179.73 1dtl h MET 103 N 0.00 0.86 0.05 0.04 2.86 -0.06 -2.75 114.93 115.93 1dtl h MET 103 Ca -0.00 -0.14 -0.27 0.00 -2.06 0.00 0.00 59.70 57.23 1dtl h MET 103 Cb 0.20 -0.15 -0.02 0.00 0.06 0.00 0.00 31.60 31.69 1dtl h MET 103 CO 0.01 0.71 -1.42 0.74 1.06 0.00 0.00 176.91 178.01 1dtl h PHE 104 N 0.84 0.21 -1.44 -0.22 0.04 -1.06 -3.41 116.94 111.90 1dtl h PHE 104 Ca 0.20 -0.15 -0.74 0.00 2.80 0.00 0.00 57.97 60.08 1dtl h PHE 104 Cb 0.19 -0.01 -0.14 0.00 2.20 0.00 0.00 35.95 38.18 1dtl h PHE 104 CO 0.01 1.18 1.95 -3.47 -0.60 0.00 0.00 178.31 177.38 1dtl n ASP 105 N -3.32 5.00 -0.29 2.17 2.03 0.67 -4.83 116.55 117.99 1dtl n ASP 105 Ca -0.12 -3.03 -0.00 0.00 0.52 0.00 0.00 54.79 52.16 1dtl n ASP 105 Cb 1.01 -1.54 0.12 0.00 -0.72 0.00 0.00 41.12 40.00 1dtl n ASP 105 CO 0.00 0.00 0.00 0.11 -1.92 0.00 0.00 177.20 175.39 1dtl h LYS 106 N 6.30 0.88 -0.20 -0.67 1.79 -1.81 -2.15 116.57 120.72 1dtl h LYS 106 Ca 0.39 -0.05 0.00 0.00 -2.18 0.00 0.00 60.65 58.81 1dtl h LYS 106 Cb 0.72 -0.20 0.00 0.00 -1.58 0.00 0.00 32.23 31.17 1dtl h LYS 106 CO 1.53 0.58 0.00 0.27 -1.08 0.00 0.00 179.45 180.75 1dtl n ASN 107 N -4.66 1.49 -3.95 0.86 6.94 -1.26 -4.94 115.26 109.74 1dtl n ASN 107 Ca 0.11 -1.78 -0.32 0.00 -0.02 0.00 0.00 54.58 52.57 1dtl n ASN 107 Cb 0.16 -0.13 -0.01 0.00 -2.36 0.00 0.00 39.78 37.44 1dtl n ASN 107 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1dtl n ALA 108 N 0.24 -1.20 -0.02 -2.53 0.00 -0.81 -4.83 120.51 111.36 1dtl n ALA 108 Ca 0.14 0.05 0.07 0.00 0.00 0.00 0.00 53.44 53.70 1dtl n ALA 108 Cb 0.28 -3.45 0.26 0.00 0.00 0.00 0.00 19.45 16.54 1dtl n ALA 108 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 1dtl n ASP 109 N -2.57 3.60 -0.32 0.00 5.68 -1.26 -4.90 116.55 116.78 1dtl n ASP 109 Ca 0.05 -2.31 -0.04 0.00 -0.50 0.00 0.00 54.79 52.00 1dtl n ASP 109 Cb 0.51 -0.49 -0.02 0.00 -1.14 0.00 0.00 41.12 39.98 1dtl n ASP 109 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1dtl n GLY 110 N 0.95 0.69 3.13 6.12 0.00 -1.26 -5.01 105.19 109.81 1dtl n GLY 110 Ca 0.19 -0.48 -0.11 0.00 0.00 0.00 0.00 46.02 45.62 1dtl n GLY 110 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1dtl s TYR 111 N -2.04 0.78 -0.31 1.61 1.51 -1.26 -3.58 117.35 114.06 1dtl s TYR 111 Ca 0.00 -0.80 0.02 0.00 -1.01 0.00 0.00 57.07 55.28 1dtl s TYR 111 Cb 0.00 -0.47 0.08 0.00 -0.11 0.00 0.00 41.96 41.46 1dtl s TYR 111 CO 0.00 -0.15 -0.01 0.42 -1.11 0.00 0.00 175.55 174.70 1dtl s ILE 112 N -2.94 2.44 0.69 2.71 1.01 -0.24 -4.61 121.20 120.27 1dtl s ILE 112 Ca 0.04 -1.88 -0.04 0.00 0.00 0.00 0.00 60.65 58.77 1dtl s ILE 112 Cb 0.01 -2.58 0.08 0.00 0.01 0.00 0.00 42.46 39.98 1dtl s ILE 112 CO -0.04 -0.30 0.98 1.51 0.00 0.00 0.00 174.94 177.09 1dtl s ASP 113 N 1.12 4.66 0.26 3.58 1.47 -1.26 -1.58 116.67 124.92 1dtl s ASP 113 Ca 0.00 0.14 -0.03 0.00 1.18 0.00 0.00 52.55 53.84 1dtl s ASP 113 Cb -0.20 -0.72 0.38 0.00 -0.34 0.00 0.00 42.92 42.04 1dtl s ASP 113 CO -0.05 -1.65 1.88 0.25 0.68 0.00 0.00 175.17 176.28 1dtl h LEU 114 N -0.51 1.04 -0.28 2.11 5.85 -2.00 -2.18 115.31 119.33 1dtl h LEU 114 Ca -0.42 0.01 -0.01 0.00 0.84 0.00 0.00 57.88 58.30 1dtl h LEU 114 Cb 1.29 -0.22 -0.01 0.00 0.37 0.00 0.00 40.66 42.09 1dtl h LEU 114 CO 0.52 0.67 0.15 -0.08 -0.34 0.00 0.00 178.44 179.35 1dtl h GLU 115 N 1.18 0.40 -0.16 1.25 4.57 -1.95 -2.43 114.58 117.44 1dtl h GLU 115 Ca 0.42 -0.05 -0.01 0.00 -1.18 0.00 0.00 59.36 58.54 1dtl h GLU 115 Cb 0.13 -0.08 -0.01 0.00 -0.16 0.00 0.00 28.75 28.64 1dtl h GLU 115 CO -0.16 0.37 0.07 0.93 -1.18 0.00 0.00 179.01 179.04 1dtl h GLU 116 N 0.33 0.22 0.00 1.92 5.08 -1.74 -1.29 114.58 119.10 1dtl h GLU 116 Ca 0.10 -0.02 -0.05 0.00 -1.00 0.00 0.00 59.36 58.39 1dtl h GLU 116 Cb 0.09 -0.05 -0.01 0.00 0.50 0.00 0.00 28.75 29.29 1dtl h GLU 116 CO -0.01 0.18 -0.26 -0.07 -1.00 0.00 0.00 179.01 177.84 1dtl h LEU 117 N 0.22 0.00 0.00 1.33 3.38 -0.93 -2.83 115.31 116.48 1dtl h LEU 117 Ca 0.06 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.03 1dtl h LEU 117 Cb 0.03 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.78 1dtl h LEU 117 CO -0.01 0.26 0.00 0.29 0.09 0.00 0.00 178.44 179.07 1dtl n LYS 118 N -3.68 0.15 0.16 1.13 4.76 -0.49 -1.87 118.16 118.33 1dtl n LYS 118 Ca -0.01 0.17 0.07 0.00 -2.87 0.00 0.00 58.31 55.67 1dtl n LYS 118 Cb 0.37 -1.50 0.56 0.00 -1.84 0.00 0.00 35.03 32.63 1dtl n LYS 118 CO 0.00 0.00 0.00 0.97 -1.37 0.00 0.00 177.40 177.00 1dtl h ILE 119 N 0.00 1.03 0.00 -0.18 6.09 -1.60 -1.95 117.51 120.90 1dtl h ILE 119 Ca 0.00 -0.07 0.00 0.00 -1.37 0.00 0.00 64.86 63.42 1dtl h ILE 119 Cb 0.07 0.82 0.00 0.00 0.47 0.00 0.00 36.82 38.18 1dtl h ILE 119 CO 0.00 0.04 0.00 0.23 -3.07 0.00 0.00 178.15 175.35 1dtl n MET 120 N -4.51 0.32 0.00 2.19 2.81 -0.78 -2.19 117.12 114.95 1dtl n MET 120 Ca -0.01 0.06 0.11 0.00 -1.81 0.00 0.00 57.70 56.05 1dtl n MET 120 Cb 0.09 -1.50 -0.05 0.00 -0.71 0.00 0.00 33.22 31.05 1dtl n MET 120 CO 0.00 0.00 0.00 1.28 1.51 0.00 0.00 175.97 178.76 1dtl n LEU 121 N -1.09 1.45 -4.72 4.03 4.77 -0.73 -4.74 117.00 115.97 1dtl n LEU 121 Ca 0.08 -0.60 -0.42 0.00 -0.03 0.00 0.00 56.01 55.05 1dtl n LEU 121 Cb 0.06 -0.01 -0.03 0.00 -2.33 0.00 0.00 43.42 41.11 1dtl n LEU 121 CO 0.08 0.30 0.83 -1.10 -1.33 0.00 0.00 177.39 176.17 1dtl s GLN 122 N -2.75 4.51 -2.13 3.23 -1.52 -0.93 -2.36 119.66 117.70 1dtl s GLN 122 Ca 0.13 1.73 0.00 0.00 -1.95 0.00 0.00 55.36 55.27 1dtl s GLN 122 Cb 0.17 -3.32 0.00 0.00 -0.22 0.00 0.00 33.01 29.64 1dtl s GLN 122 CO 0.72 -0.10 0.00 0.00 -0.25 0.00 0.00 175.29 175.66 1dtl n ALA 123 N 3.22 -0.38 -3.29 6.09 0.00 -1.26 -5.05 120.51 119.84 1dtl n ALA 123 Ca 0.06 0.30 -0.09 0.00 0.00 0.00 0.00 53.44 53.71 1dtl n ALA 123 Cb 0.47 -2.10 -0.04 0.00 0.00 0.00 0.00 19.45 17.77 1dtl n ALA 123 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 177.50 177.42 1dtl s THR 124 N -2.83 0.00 0.00 0.00 -1.32 -0.99 -5.15 115.64 105.34 1dtl s THR 124 Ca 0.00 -1.35 0.00 0.00 -1.21 0.00 0.00 61.69 59.13 1dtl s THR 124 Cb 0.00 -2.22 0.00 0.00 -1.51 0.00 0.00 72.50 68.77 1dtl s THR 124 CO 0.00 0.00 0.00 0.35 -2.21 0.00 0.00 174.62 172.76 1dtl n THR 127 N -0.41 0.00 -4.57 5.08 -2.24 -1.26 -4.84 114.28 106.04 1dtl n THR 127 Ca -0.02 0.00 -0.33 0.00 -2.27 0.00 0.00 64.05 61.43 1dtl n THR 127 Cb 0.61 0.00 -0.11 0.00 -2.10 0.00 0.00 70.33 68.73 1dtl n THR 127 CO 0.00 0.00 0.00 -0.51 -0.57 0.00 0.00 175.07 173.99 1dtl s ILE 128 N 0.00 3.55 0.43 2.28 2.07 -1.26 -5.03 121.20 123.24 1dtl s ILE 128 Ca 0.00 -0.70 0.06 0.00 -1.41 0.00 0.00 60.65 58.60 1dtl s ILE 128 Cb 0.00 -2.49 -0.06 0.00 0.13 0.00 0.00 42.46 40.04 1dtl s ILE 128 CO 0.00 0.48 0.05 0.42 -1.91 0.00 0.00 174.94 173.98 1dtl s THR 129 N -0.90 1.88 0.29 4.00 -4.23 -1.26 -4.93 115.64 110.49 1dtl s THR 129 Ca 0.15 -1.94 -0.03 0.00 -1.18 0.00 0.00 61.69 58.69 1dtl s THR 129 Cb -0.11 -2.82 0.25 0.00 1.34 0.00 0.00 72.50 71.17 1dtl s THR 129 CO 0.05 0.00 1.95 -0.08 -0.54 0.00 0.00 174.62 176.00 1dtl h GLU 130 N 1.61 1.12 -0.65 3.99 4.81 -2.00 0.12 114.58 123.58 1dtl h GLU 130 Ca -0.44 -0.08 -0.07 0.00 -0.13 0.00 0.00 59.36 58.65 1dtl h GLU 130 Cb 1.26 -0.25 -0.03 0.00 0.63 0.00 0.00 28.75 30.36 1dtl h GLU 130 CO 0.77 0.75 0.13 0.22 -0.73 0.00 0.00 179.01 180.15 1dtl h ASP 131 N 1.15 0.99 -0.69 1.04 3.58 -1.99 -1.08 116.42 119.41 1dtl h ASP 131 Ca 0.31 -0.22 -0.02 0.00 0.42 0.00 0.00 57.03 57.52 1dtl h ASP 131 Cb -0.11 -0.26 -0.03 0.00 1.72 0.00 0.00 39.33 40.65 1dtl h ASP 131 CO -0.06 0.97 0.37 0.44 -2.88 0.00 0.00 179.24 178.08 1dtl h ASP 132 N 0.99 0.88 -0.48 2.28 3.45 -1.41 -1.39 116.42 120.73 1dtl h ASP 132 Ca 0.20 -0.11 -0.03 0.00 0.43 0.00 0.00 57.03 57.52 1dtl h ASP 132 Cb 0.39 -0.22 -0.02 0.00 -0.56 0.00 0.00 39.33 38.92 1dtl h ASP 132 CO 0.01 0.73 0.17 0.40 -1.57 0.00 0.00 179.24 178.98 1dtl h ILE 133 N 0.96 1.22 0.00 0.35 2.04 -0.36 -0.31 117.51 121.41 1dtl h ILE 133 Ca 0.24 -0.70 -0.06 0.00 1.00 0.00 0.00 64.86 65.34 1dtl h ILE 133 Cb 0.06 0.78 -0.01 0.00 -0.74 0.00 0.00 36.82 36.91 1dtl h ILE 133 CO -0.04 0.26 -0.27 -0.33 0.00 0.00 0.00 178.15 177.78 1dtl h GLU 134 N 0.64 0.00 0.06 2.37 3.07 -1.01 -0.29 114.58 119.42 1dtl h GLU 134 Ca 0.16 0.00 -0.25 0.00 -0.50 0.00 0.00 59.36 58.77 1dtl h GLU 134 Cb 0.23 0.00 0.02 0.00 -0.84 0.00 0.00 28.75 28.17 1dtl h GLU 134 CO -0.01 0.27 -1.00 1.49 -1.40 0.00 0.00 179.01 178.36 1dtl h GLU 135 N 0.00 0.57 -0.38 2.33 4.22 -0.96 -2.65 114.58 117.71 1dtl h GLU 135 Ca -0.00 -0.70 0.03 0.00 0.08 0.00 0.00 59.36 58.77 1dtl h GLU 135 Cb 0.54 0.22 -0.03 0.00 0.50 0.00 0.00 28.75 29.98 1dtl h GLU 135 CO 0.03 1.29 0.19 1.25 -2.18 0.00 0.00 179.01 179.60 1dtl h LEU 136 N 0.17 0.29 -0.54 1.64 6.46 -0.62 -1.35 115.31 121.35 1dtl h LEU 136 Ca -0.14 0.02 0.05 0.00 -0.12 0.00 0.00 57.88 57.68 1dtl h LEU 136 Cb 1.69 -0.04 -0.05 0.00 -0.73 0.00 0.00 40.66 41.54 1dtl h LEU 136 CO 0.19 0.21 0.28 -0.03 -0.62 0.00 0.00 178.44 178.47 1dtl h MET 137 N 0.40 0.52 -0.85 1.25 4.05 -1.07 -0.70 114.93 118.53 1dtl h MET 137 Ca 0.16 -0.03 -0.01 0.00 -0.28 0.00 0.00 59.70 59.53 1dtl h MET 137 Cb 0.06 -0.12 -0.04 0.00 -0.80 0.00 0.00 31.60 30.70 1dtl h MET 137 CO -0.11 0.34 0.48 -0.22 0.23 0.00 0.00 176.91 177.64 1dtl h LYS 138 N 0.54 1.18 -0.43 0.39 3.64 -1.06 0.10 116.57 120.92 1dtl h LYS 138 Ca 0.24 -0.13 -0.02 0.00 -1.27 0.00 0.00 60.65 59.47 1dtl h LYS 138 Cb 0.14 -0.24 -0.02 0.00 -0.41 0.00 0.00 32.23 31.71 1dtl h LYS 138 CO -0.16 0.85 0.18 -0.44 -2.27 0.00 0.00 179.45 177.61 1dtl h ASP 139 N 1.18 0.59 0.95 4.20 3.45 -0.40 -3.24 116.42 123.15 1dtl h ASP 139 Ca 0.30 -0.16 -0.22 0.00 0.43 0.00 0.00 57.03 57.38 1dtl h ASP 139 Cb 0.01 -0.15 -0.03 0.00 -0.56 0.00 0.00 39.33 38.60 1dtl h ASP 139 CO -0.05 0.59 -1.07 1.23 -1.57 0.00 0.00 179.24 178.37 1dtl h GLY 140 N 0.56 0.01 -7.26 2.75 0.00 -0.73 -3.43 103.07 94.97 1dtl h GLY 140 Ca 0.15 -0.02 -0.56 0.00 0.00 0.00 0.00 47.33 46.89 1dtl h GLY 140 CO -0.01 0.02 1.50 -0.35 0.00 0.00 0.00 176.54 177.69 1dtl s ASP 141 N -6.67 6.32 0.19 0.19 3.68 0.31 -4.75 116.67 115.93 1dtl s ASP 141 Ca 0.00 -1.52 0.00 0.00 2.13 0.00 0.00 52.55 53.17 1dtl s ASP 141 Cb 0.10 -2.57 0.09 0.00 -1.45 0.00 0.00 42.92 39.08 1dtl s ASP 141 CO 0.82 -1.68 1.45 0.11 0.13 0.00 0.00 175.17 176.00 1dtl h LYS 142 N 9.63 0.34 -0.64 4.34 1.79 -1.83 -3.26 116.57 126.93 1dtl h LYS 142 Ca 0.23 -0.28 0.00 0.00 -2.18 0.00 0.00 60.65 58.42 1dtl h LYS 142 Cb 0.98 0.06 0.00 0.00 -1.58 0.00 0.00 32.23 31.69 1dtl h LYS 142 CO 1.40 0.93 0.00 0.27 -1.08 0.00 0.00 179.45 180.96 1dtl n ASN 143 N -3.82 4.26 -3.72 0.86 0.23 -1.26 -4.96 115.26 106.84 1dtl n ASN 143 Ca -0.04 -2.42 -0.23 0.00 -0.53 0.00 0.00 54.58 51.37 1dtl n ASN 143 Cb 0.70 -0.55 0.03 0.00 -2.08 0.00 0.00 39.78 37.88 1dtl n ASN 143 CO 0.00 0.00 0.00 0.59 -0.93 0.00 0.00 177.26 176.92 1dtl n ASN 144 N 0.92 -1.55 -0.23 0.53 4.13 -1.23 -4.89 115.26 112.94 1dtl n ASN 144 Ca 0.22 -0.86 0.04 0.00 1.68 0.00 0.00 54.58 55.66 1dtl n ASN 144 Cb 0.81 -3.87 0.09 0.00 -1.54 0.00 0.00 39.78 35.27 1dtl n ASN 144 CO 0.00 0.00 0.00 -0.90 0.28 0.00 0.00 177.26 176.64 1dtl n ASP 145 N -3.02 2.45 -0.07 6.41 5.75 -1.26 -4.96 116.55 121.85 1dtl n ASP 145 Ca -0.28 -2.36 -0.01 0.00 -0.01 0.00 0.00 54.79 52.14 1dtl n ASP 145 Cb 0.67 -0.20 -0.00 0.00 -1.03 0.00 0.00 41.12 40.56 1dtl n ASP 145 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1dtl n GLY 146 N -0.52 0.41 3.12 6.12 0.00 -1.26 -5.01 105.19 108.05 1dtl n GLY 146 Ca 0.08 -0.10 -0.08 0.00 0.00 0.00 0.00 46.02 45.92 1dtl n GLY 146 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1dtl s ARG 147 N -0.91 0.78 -0.23 1.61 0.52 -1.26 -4.10 118.95 115.36 1dtl s ARG 147 Ca 0.00 -1.34 -0.01 0.00 -0.52 0.00 0.00 55.73 53.86 1dtl s ARG 147 Cb 0.00 0.23 0.02 0.00 0.52 0.00 0.00 34.95 35.72 1dtl s ARG 147 CO 0.00 -0.19 -0.10 0.42 0.02 0.00 0.00 175.30 175.45 1dtl s ILE 148 N -3.99 2.63 0.79 1.52 1.01 -0.62 -4.53 121.20 118.01 1dtl s ILE 148 Ca 0.16 -1.02 -0.06 0.00 0.00 0.00 0.00 60.65 59.74 1dtl s ILE 148 Cb 0.08 -2.29 0.14 0.00 0.01 0.00 0.00 42.46 40.40 1dtl s ILE 148 CO -0.04 0.29 1.09 1.51 0.00 0.00 0.00 174.94 177.79 1dtl s ASP 149 N 1.31 4.05 0.31 3.58 1.47 -1.26 -1.08 116.67 125.05 1dtl s ASP 149 Ca 0.01 -0.07 -0.01 0.00 1.18 0.00 0.00 52.55 53.66 1dtl s ASP 149 Cb -0.16 -0.25 0.49 0.00 -0.34 0.00 0.00 42.92 42.66 1dtl s ASP 149 CO -0.07 -2.08 1.97 0.22 0.68 0.00 0.00 175.17 175.89 1dtl h TYR 150 N -0.86 0.95 -0.56 2.11 3.20 -1.97 -0.04 116.97 119.80 1dtl h TYR 150 Ca -0.40 0.01 -0.11 0.00 3.14 0.00 0.00 58.73 61.38 1dtl h TYR 150 Cb 1.26 -0.32 -0.02 0.00 1.54 0.00 0.00 36.73 39.20 1dtl h TYR 150 CO -0.41 0.62 -0.07 -0.44 -1.64 0.00 0.00 178.16 176.22 1dtl h ASP 151 N 1.02 1.03 -0.33 -2.11 3.32 -1.93 -0.56 116.42 116.86 1dtl h ASP 151 Ca 0.27 -0.33 -0.07 0.00 0.02 0.00 0.00 57.03 56.92 1dtl h ASP 151 Cb -0.08 -0.28 -0.01 0.00 0.22 0.00 0.00 39.33 39.18 1dtl h ASP 151 CO -0.05 1.12 -0.06 -0.33 -1.72 0.00 0.00 179.24 178.20 1dtl h GLU 152 N 0.93 0.61 -0.26 3.56 5.08 -1.83 -1.85 114.58 120.81 1dtl h GLU 152 Ca 0.15 -0.22 0.06 0.00 -1.00 0.00 0.00 59.36 58.34 1dtl h GLU 152 Cb 0.63 -0.04 -0.05 0.00 0.50 0.00 0.00 28.75 29.79 1dtl h GLU 152 CO 0.04 0.78 -0.10 0.35 -1.00 0.00 0.00 179.01 179.08 1dtl h PHE 153 N 0.40 -0.22 -0.40 4.33 3.57 -0.69 0.23 116.94 124.16 1dtl h PHE 153 Ca 0.09 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.61 1dtl h PHE 153 Cb 0.54 0.14 -0.02 0.00 2.79 0.00 0.00 35.95 39.40 1dtl h PHE 153 CO 0.05 -0.15 0.25 -0.07 -2.23 0.00 0.00 178.31 176.16 1dtl h LEU 154 N -0.05 0.47 -0.71 0.59 3.38 -0.99 0.16 115.31 118.16 1dtl h LEU 154 Ca 0.13 -0.03 -0.01 0.00 0.09 0.00 0.00 57.88 58.06 1dtl h LEU 154 Cb 0.25 -0.12 -0.03 0.00 0.09 0.00 0.00 40.66 40.85 1dtl h LEU 154 CO -0.29 0.36 0.41 -0.08 0.09 0.00 0.00 178.44 178.92 1dtl h GLU 155 N 0.53 0.98 0.09 1.13 4.81 -0.85 0.37 114.58 121.64 1dtl h GLU 155 Ca 0.14 -0.10 -0.00 0.00 -0.13 0.00 0.00 59.36 59.27 1dtl h GLU 155 Cb -0.03 -0.20 0.00 0.00 0.63 0.00 0.00 28.75 29.15 1dtl h GLU 155 CO -0.03 0.72 -0.04 0.35 -0.73 0.00 0.00 179.01 179.28 1dtl h PHE 156 N 0.97 -0.11 -0.01 0.92 -0.00 -0.14 1.00 116.94 119.57 1dtl h PHE 156 Ca 0.25 -0.00 -0.11 0.00 -0.00 0.00 0.00 57.97 58.11 1dtl h PHE 156 Cb 0.01 0.04 -0.01 0.00 -0.00 0.00 0.00 35.95 35.98 1dtl h PHE 156 CO -0.01 0.02 -0.49 0.52 -0.00 0.00 0.00 178.31 178.35 1dtl h MET 157 N -0.21 0.04 0.00 1.11 2.86 -0.47 -3.26 114.93 115.00 1dtl h MET 157 Ca -0.01 -0.02 -0.23 0.00 -2.06 0.00 0.00 59.70 57.38 1dtl h MET 157 Cb 0.17 0.00 -0.04 0.00 0.06 0.00 0.00 31.60 31.79 1dtl h MET 157 CO 0.02 0.52 -1.56 1.63 1.06 0.00 0.00 176.91 178.57 1dtl n LYS 158 N -3.96 0.63 0.00 1.72 5.02 0.10 -4.86 118.16 116.80 1dtl n LYS 158 Ca -0.02 0.27 0.00 0.00 -2.02 0.00 0.00 58.31 56.54 1dtl n LYS 158 Cb 0.51 -1.80 0.00 0.00 -0.02 0.00 0.00 35.03 33.72 1dtl n LYS 158 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1dtl n GLY 159 N 1.48 0.80 3.58 0.72 0.00 0.22 -4.88 105.19 107.11 1dtl n GLY 159 Ca -0.13 -0.80 0.00 0.00 0.00 0.00 0.00 46.02 45.08 1dtl n GLY 159 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70