#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1cm4 s THR 5 N 0.00 0.40 0.15 1.96 -4.23 -1.26 -5.03 115.64 107.62 1cm4 s THR 5 Ca 0.00 -2.00 -0.17 0.00 -1.18 0.00 0.00 61.69 58.34 1cm4 s THR 5 Cb 0.00 -2.46 -0.00 0.00 1.34 0.00 0.00 72.50 71.38 1cm4 s THR 5 CO 0.00 0.00 1.75 -0.08 -0.54 0.00 0.00 174.62 175.75 1cm4 h GLU 6 N 2.05 0.23 -0.24 3.99 4.81 -2.05 -1.54 114.58 121.82 1cm4 h GLU 6 Ca -0.33 -0.01 -0.11 0.00 -0.13 0.00 0.00 59.36 58.78 1cm4 h GLU 6 Cb 1.25 -0.05 -0.01 0.00 0.63 0.00 0.00 28.75 30.57 1cm4 h GLU 6 CO 0.52 0.15 -0.32 1.05 -0.73 0.00 0.00 179.01 179.68 1cm4 h GLU 7 N 0.24 0.51 -0.45 1.92 -0.00 -1.97 -1.00 114.58 113.82 1cm4 h GLU 7 Ca 0.14 -0.22 -0.11 0.00 -0.00 0.00 0.00 59.36 59.17 1cm4 h GLU 7 Cb 0.11 -0.02 -0.02 0.00 -0.00 0.00 0.00 28.75 28.83 1cm4 h GLU 7 CO -0.14 0.77 -0.17 1.96 -0.00 0.00 0.00 179.01 181.42 1cm4 h GLN 8 N 0.43 0.86 -0.12 1.06 4.20 -1.87 -2.11 115.11 117.57 1cm4 h GLN 8 Ca 0.05 -0.33 -0.15 0.00 0.06 0.00 0.00 58.65 58.28 1cm4 h GLN 8 Cb 0.77 -0.05 -0.01 0.00 0.30 0.00 0.00 27.48 28.49 1cm4 h GLN 8 CO 0.06 0.97 -0.59 0.82 -0.67 0.00 0.00 178.83 179.42 1cm4 h ILE 9 N 0.76 1.35 -0.19 2.54 2.04 -1.24 -3.19 117.51 119.58 1cm4 h ILE 9 Ca 0.11 -1.90 -0.05 0.00 1.00 0.00 0.00 64.86 64.01 1cm4 h ILE 9 Cb 0.69 1.91 -0.01 0.00 -0.74 0.00 0.00 36.82 38.67 1cm4 h ILE 9 CO 0.05 0.58 -0.13 0.00 0.00 0.00 0.00 178.15 178.65 1cm4 h ALA 10 N 1.08 1.44 -0.12 1.87 0.00 -0.74 -2.57 119.26 120.21 1cm4 h ALA 10 Ca -0.00 -0.22 -0.03 0.00 0.00 0.00 0.00 54.91 54.65 1cm4 h ALA 10 Cb 1.11 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 18.80 1cm4 h ALA 10 CO 0.10 0.39 -0.06 0.93 0.00 0.00 0.00 179.25 180.62 1cm4 h GLU 11 N 0.29 0.26 0.00 0.00 5.08 -1.39 -3.29 114.58 115.53 1cm4 h GLU 11 Ca 0.06 -0.11 -0.02 0.00 -1.00 0.00 0.00 59.36 58.29 1cm4 h GLU 11 Cb 0.40 -0.01 -0.00 0.00 0.50 0.00 0.00 28.75 29.64 1cm4 h GLU 11 CO 0.02 0.59 -0.08 0.74 -1.00 0.00 0.00 179.01 179.28 1cm4 h PHE 12 N -0.09 0.00 -0.34 4.33 0.04 -1.49 -2.29 116.94 117.09 1cm4 h PHE 12 Ca 0.03 0.00 -0.09 0.00 2.80 0.00 0.00 57.97 60.71 1cm4 h PHE 12 Cb 0.51 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.65 1cm4 h PHE 12 CO 0.07 0.08 -0.13 0.87 -0.60 0.00 0.00 178.31 178.60 1cm4 h LYS 13 N 0.00 0.69 -0.35 1.51 1.57 -1.53 -2.22 116.57 116.24 1cm4 h LYS 13 Ca -0.00 -0.29 -0.08 0.00 -1.87 0.00 0.00 60.65 58.41 1cm4 h LYS 13 Cb 0.27 -0.03 -0.02 0.00 0.08 0.00 0.00 32.23 32.54 1cm4 h LYS 13 CO 0.01 0.88 -0.14 1.49 -0.57 0.00 0.00 179.45 181.12 1cm4 h GLU 14 N 0.47 0.61 0.00 3.15 4.57 -1.53 -1.86 114.58 119.99 1cm4 h GLU 14 Ca 0.08 -0.20 -0.06 0.00 -1.18 0.00 0.00 59.36 58.00 1cm4 h GLU 14 Cb 0.65 -0.06 -0.01 0.00 -0.16 0.00 0.00 28.75 29.18 1cm4 h GLU 14 CO 0.04 0.73 -0.30 0.00 -1.18 0.00 0.00 179.01 178.30 1cm4 h ALA 15 N 1.30 1.05 -0.08 2.92 0.00 -1.36 -3.02 119.26 120.06 1cm4 h ALA 15 Ca 0.10 -0.27 -0.10 0.00 0.00 0.00 0.00 54.91 54.64 1cm4 h ALA 15 Cb 0.56 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.31 1cm4 h ALA 15 CO 0.04 0.38 -0.32 0.35 0.00 0.00 0.00 179.25 179.69 1cm4 h PHE 16 N 0.00 0.49 -0.62 0.00 3.57 -1.03 -3.34 116.94 116.01 1cm4 h PHE 16 Ca -0.00 -0.21 0.10 0.00 3.53 0.00 0.00 57.97 61.39 1cm4 h PHE 16 Cb 0.78 -0.08 -0.04 0.00 2.79 0.00 0.00 35.95 39.41 1cm4 h PHE 16 CO 0.00 0.94 0.41 0.77 -2.23 0.00 0.00 178.31 178.20 1cm4 h SER 17 N -0.10 0.40 0.22 0.41 0.02 -1.22 -2.80 113.55 110.48 1cm4 h SER 17 Ca -0.02 0.01 -0.16 0.00 -0.84 0.00 0.00 61.79 60.79 1cm4 h SER 17 Cb 0.96 -0.07 -0.01 0.00 0.14 0.00 0.00 62.40 63.42 1cm4 h SER 17 CO 0.07 0.24 -0.60 -0.07 -1.14 0.00 0.00 176.83 175.33 1cm4 h LEU 18 N 0.44 0.43 -0.39 5.07 3.38 -1.67 -3.15 115.31 119.42 1cm4 h LEU 18 Ca 0.28 -0.24 -0.15 0.00 0.09 0.00 0.00 57.88 57.86 1cm4 h LEU 18 Cb 0.52 -0.12 -0.02 0.00 0.09 0.00 0.00 40.66 41.13 1cm4 h LEU 18 CO -0.08 0.93 -0.73 -0.26 0.09 0.00 0.00 178.44 178.38 1cm4 h PHE 19 N 0.28 0.00 0.00 1.13 0.04 -1.65 -3.36 116.94 113.38 1cm4 h PHE 19 Ca -0.00 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.77 1cm4 h PHE 19 Cb 1.12 0.00 0.00 0.00 2.20 0.00 0.00 35.95 39.27 1cm4 h PHE 19 CO 0.03 0.73 0.00 -3.47 -0.60 0.00 0.00 178.31 175.00 1cm4 n ASP 20 N -3.52 0.00 0.00 2.17 2.03 -1.08 -4.79 116.55 111.35 1cm4 n ASP 20 Ca -0.00 0.11 0.00 0.00 0.52 0.00 0.00 54.79 55.41 1cm4 n ASP 20 Cb 0.75 -0.16 0.00 0.00 -0.72 0.00 0.00 41.12 40.99 1cm4 n ASP 20 CO 0.00 0.00 0.00 0.29 -1.92 0.00 0.00 177.20 175.57 1cm4 n LYS 21 N -1.16 0.00 -0.09 -0.67 4.76 -1.26 -1.06 118.16 118.68 1cm4 n LYS 21 Ca 0.01 0.00 0.06 0.00 -2.87 0.00 0.00 58.31 55.51 1cm4 n LYS 21 Cb 0.01 0.00 0.21 0.00 -1.84 0.00 0.00 35.03 33.42 1cm4 n LYS 21 CO 0.00 0.00 0.00 -0.40 -1.37 0.00 0.00 177.40 175.63 1cm4 n ASP 22 N 0.00 1.10 0.00 4.39 5.75 -1.26 -5.01 116.55 121.52 1cm4 n ASP 22 Ca 0.00 -1.86 0.00 0.00 -0.01 0.00 0.00 54.79 52.92 1cm4 n ASP 22 Cb 0.00 -0.12 0.00 0.00 -1.03 0.00 0.00 41.12 39.97 1cm4 n ASP 22 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1cm4 n GLY 23 N 0.89 0.89 1.29 6.12 0.00 -0.23 -4.96 105.19 109.19 1cm4 n GLY 23 Ca 0.10 -0.83 -0.03 0.00 0.00 0.00 0.00 46.02 45.25 1cm4 n GLY 23 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1cm4 n ASP 24 N 5.34 -0.86 -3.71 1.61 5.75 -1.26 -3.99 116.55 119.43 1cm4 n ASP 24 Ca 0.00 0.08 -0.26 0.00 -0.01 0.00 0.00 54.79 54.59 1cm4 n ASP 24 Cb 0.00 -1.17 -0.04 0.00 -1.03 0.00 0.00 41.12 38.88 1cm4 n ASP 24 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1cm4 n GLY 25 N -0.05 -0.45 3.08 6.12 0.00 -1.26 -4.94 105.19 107.69 1cm4 n GLY 25 Ca -0.03 0.05 -0.09 0.00 0.00 0.00 0.00 46.02 45.95 1cm4 n GLY 25 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1cm4 s THR 26 N -2.82 0.13 -0.10 2.61 -4.23 -1.26 -4.40 115.64 105.57 1cm4 s THR 26 Ca 0.51 -1.09 0.03 0.00 -1.18 0.00 0.00 61.69 59.95 1cm4 s THR 26 Cb -0.29 -0.77 0.01 0.00 1.34 0.00 0.00 72.50 72.79 1cm4 s THR 26 CO 0.62 -0.60 -0.18 -0.63 -0.54 0.00 0.00 174.62 173.29 1cm4 s ILE 27 N -2.36 1.66 0.52 2.99 1.01 0.14 -4.72 121.20 120.44 1cm4 s ILE 27 Ca -0.07 -0.77 0.09 0.00 0.00 0.00 0.00 60.65 59.90 1cm4 s ILE 27 Cb -0.03 -1.48 0.05 0.00 0.01 0.00 0.00 42.46 41.02 1cm4 s ILE 27 CO -0.04 0.47 0.67 0.42 0.00 0.00 0.00 174.94 176.46 1cm4 s THR 28 N 0.67 2.36 0.43 2.92 -4.23 -1.26 -0.37 115.64 116.15 1cm4 s THR 28 Ca -0.13 -1.07 0.15 0.00 -1.18 0.00 0.00 61.69 59.46 1cm4 s THR 28 Cb -0.16 -2.43 0.18 0.00 1.34 0.00 0.00 72.50 71.42 1cm4 s THR 28 CO 0.03 0.00 1.97 0.71 -0.54 0.00 0.00 174.62 176.79 1cm4 h THR 29 N 0.41 1.11 -0.16 3.99 1.35 -1.91 -2.70 112.91 115.00 1cm4 h THR 29 Ca -0.34 -0.74 -0.02 0.00 -0.55 0.00 0.00 66.41 64.77 1cm4 h THR 29 Cb 1.29 1.40 -0.01 0.00 -1.73 0.00 0.00 68.15 69.10 1cm4 h THR 29 CO 0.45 0.21 0.04 0.11 -0.25 0.00 0.00 175.52 176.07 1cm4 h LYS 30 N 0.00 0.25 0.00 4.72 1.57 -1.98 -0.90 116.57 120.23 1cm4 h LYS 30 Ca -0.00 -0.06 -0.06 0.00 -1.87 0.00 0.00 60.65 58.65 1cm4 h LYS 30 Cb 0.38 -0.03 -0.01 0.00 0.08 0.00 0.00 32.23 32.65 1cm4 h LYS 30 CO 0.03 0.40 -0.30 0.93 -0.57 0.00 0.00 179.45 179.94 1cm4 h GLU 31 N 0.06 0.00 0.52 3.15 5.08 -1.84 -0.50 114.58 121.05 1cm4 h GLU 31 Ca 0.05 0.00 -0.03 0.00 -1.00 0.00 0.00 59.36 58.38 1cm4 h GLU 31 Cb 0.27 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.52 1cm4 h GLU 31 CO 0.00 0.30 -0.25 -0.07 -1.00 0.00 0.00 179.01 177.99 1cm4 h LEU 32 N 0.00 -0.60 -1.12 1.33 3.38 -1.32 -2.52 115.31 114.46 1cm4 h LEU 32 Ca -0.00 -0.05 0.05 0.00 0.09 0.00 0.00 57.88 57.97 1cm4 h LEU 32 Cb 0.54 0.15 -0.06 0.00 0.09 0.00 0.00 40.66 41.39 1cm4 h LEU 32 CO 0.04 -0.28 0.60 1.23 0.09 0.00 0.00 178.44 180.11 1cm4 h GLY 33 N -0.91 1.34 0.52 0.83 0.00 -0.81 -1.01 103.07 103.02 1cm4 h GLY 33 Ca -0.07 -0.44 -0.02 0.00 0.00 0.00 0.00 47.33 46.81 1cm4 h GLY 33 CO 0.12 0.34 -0.15 -0.84 0.00 0.00 0.00 176.54 176.01 1cm4 h THR 34 N 1.09 0.56 -0.21 4.70 2.02 -1.16 -1.36 112.91 118.56 1cm4 h THR 34 Ca 0.38 -0.75 -0.05 0.00 0.77 0.00 0.00 66.41 66.77 1cm4 h THR 34 Cb 0.12 0.88 -0.01 0.00 -1.74 0.00 0.00 68.15 67.40 1cm4 h THR 34 CO -0.13 0.12 -0.08 0.58 0.37 0.00 0.00 175.52 176.37 1cm4 h VAL 35 N -0.90 1.18 -0.02 3.16 2.07 -1.38 -2.02 116.25 118.34 1cm4 h VAL 35 Ca -0.04 -0.76 -0.16 0.00 0.82 0.00 0.00 66.70 66.55 1cm4 h VAL 35 Cb 0.52 1.12 -0.02 0.00 -1.52 0.00 0.00 31.29 31.39 1cm4 h VAL 35 CO 0.07 0.25 -0.73 0.24 0.02 0.00 0.00 177.57 177.41 1cm4 h MET 36 N 0.31 0.14 0.00 1.57 2.07 -1.21 -3.09 114.93 114.73 1cm4 h MET 36 Ca 0.07 -0.12 -0.09 0.00 -2.07 0.00 0.00 59.70 57.49 1cm4 h MET 36 Cb 0.35 0.03 -0.01 0.00 -1.87 0.00 0.00 31.60 30.10 1cm4 h MET 36 CO 0.02 0.81 -0.41 0.00 1.07 0.00 0.00 176.91 178.39 1cm4 h ARG 37 N 0.09 0.00 0.00 1.72 3.08 -0.67 -1.13 114.38 117.47 1cm4 h ARG 37 Ca -0.02 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.03 1cm4 h ARG 37 Cb 1.30 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.35 1cm4 h ARG 37 CO 0.11 0.41 0.00 -1.13 -1.07 0.00 0.00 179.97 178.29 1cm4 n SER 38 N -3.50 0.69 -1.97 7.04 3.41 -0.81 -2.06 113.62 116.42 1cm4 n SER 38 Ca 0.00 0.61 -0.07 0.00 -0.26 0.00 0.00 58.87 59.15 1cm4 n SER 38 Cb 0.55 -0.78 0.29 0.00 -0.26 0.00 0.00 64.21 64.01 1cm4 n SER 38 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 1cm4 n LEU 39 N -2.19 6.05 -0.29 1.04 4.77 -1.02 -4.93 117.00 120.43 1cm4 n LEU 39 Ca 0.04 -3.29 -0.04 0.00 -0.03 0.00 0.00 56.01 52.70 1cm4 n LEU 39 Cb 0.33 -0.75 -0.02 0.00 -2.33 0.00 0.00 43.42 40.65 1cm4 n LEU 39 CO 0.25 0.85 -0.04 0.61 -1.33 0.00 0.00 177.39 177.73 1cm4 n GLY 40 N -0.32 0.61 3.97 -0.72 0.00 -0.87 -5.02 105.19 102.84 1cm4 n GLY 40 Ca 0.42 -0.25 -0.21 0.00 0.00 0.00 0.00 46.02 45.99 1cm4 n GLY 40 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1cm4 s GLN 41 N -1.66 3.16 -0.35 1.61 2.00 -0.46 -5.00 119.66 118.97 1cm4 s GLN 41 Ca 0.00 -0.76 -0.00 0.00 -2.00 0.00 0.00 55.36 52.60 1cm4 s GLN 41 Cb 0.00 -2.73 0.14 0.00 0.80 0.00 0.00 33.01 31.22 1cm4 s GLN 41 CO 0.00 0.00 0.21 1.21 -0.50 0.00 0.00 175.29 176.21 1cm4 s ASN 42 N -4.16 2.99 0.52 6.67 3.84 -1.26 -3.73 114.94 119.82 1cm4 s ASN 42 Ca 0.44 -2.16 -0.19 0.00 0.21 0.00 0.00 52.86 51.16 1cm4 s ASN 42 Cb -0.10 -0.40 -0.07 0.00 -0.55 0.00 0.00 41.25 40.13 1cm4 s ASN 42 CO 0.33 -0.31 1.07 -2.16 -2.79 0.00 0.00 177.10 173.24 1cm4 s PRO 43 N 1.10 3.57 0.10 0.43 0.04 -1.26 -5.07 135.00 133.90 1cm4 s PRO 43 Ca 0.18 1.41 -0.04 0.00 0.04 0.00 0.00 61.00 62.58 1cm4 s PRO 43 Cb -0.23 -2.05 -0.05 0.00 0.04 0.00 0.00 34.50 32.21 1cm4 s PRO 43 CO -0.00 -0.64 0.32 0.95 0.04 0.00 0.00 177.00 177.67 1cm4 s THR 44 N -2.01 5.24 0.42 1.26 -4.23 -1.26 -4.99 115.64 110.07 1cm4 s THR 44 Ca 0.68 -0.04 0.15 0.00 -1.18 0.00 0.00 61.69 61.30 1cm4 s THR 44 Cb -0.18 -3.62 0.36 0.00 1.34 0.00 0.00 72.50 70.39 1cm4 s THR 44 CO 0.25 0.12 1.90 1.05 -0.54 0.00 0.00 174.62 177.41 1cm4 h GLU 45 N 3.09 0.44 -0.14 3.99 9.09 -1.99 -0.33 114.58 128.73 1cm4 h GLU 45 Ca -0.46 -0.03 -0.07 0.00 0.05 0.00 0.00 59.36 58.85 1cm4 h GLU 45 Cb 1.17 -0.10 -0.00 0.00 -1.65 0.00 0.00 28.75 28.17 1cm4 h GLU 45 CO 0.72 0.29 -0.18 0.00 0.05 0.00 0.00 179.01 179.89 1cm4 h ALA 46 N 1.63 0.21 0.00 1.06 0.00 -1.99 -2.52 119.26 117.66 1cm4 h ALA 46 Ca 0.40 -0.35 0.00 0.00 0.00 0.00 0.00 54.91 54.96 1cm4 h ALA 46 Cb 0.89 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.63 1cm4 h ALA 46 CO -0.14 0.13 0.00 0.39 0.00 0.00 0.00 179.25 179.63 1cm4 n GLU 47 N -4.52 0.21 -0.01 0.00 1.02 -0.85 -1.50 120.64 115.00 1cm4 n GLU 47 Ca -0.06 0.28 -0.17 0.00 -0.02 0.00 0.00 57.16 57.18 1cm4 n GLU 47 Cb 0.39 -1.80 -0.10 0.00 -0.02 0.00 0.00 31.44 29.91 1cm4 n GLU 47 CO 0.00 0.00 0.00 -0.07 1.18 0.00 0.00 177.13 178.24 1cm4 h LEU 48 N 0.00 0.57 -1.35 -4.62 3.38 -1.02 -3.16 115.31 109.11 1cm4 h LEU 48 Ca 0.00 -0.72 -0.04 0.00 0.09 0.00 0.00 57.88 57.21 1cm4 h LEU 48 Cb 0.56 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 41.13 1cm4 h LEU 48 CO 0.00 1.21 -0.20 -0.61 0.09 0.00 0.00 178.44 178.93 1cm4 h GLN 49 N -0.01 0.00 0.00 1.13 5.75 -1.25 -1.69 115.11 119.03 1cm4 h GLN 49 Ca -0.06 0.00 -0.02 0.00 -0.15 0.00 0.00 58.65 58.42 1cm4 h GLN 49 Cb 1.27 0.00 -0.00 0.00 1.07 0.00 0.00 27.48 29.82 1cm4 h GLN 49 CO 0.12 0.20 -0.09 -0.44 -2.65 0.00 0.00 178.83 175.97 1cm4 h ASP 50 N 0.00 0.00 0.00 -0.69 3.32 -1.25 -3.09 116.42 114.71 1cm4 h ASP 50 Ca -0.00 0.00 -0.08 0.00 0.02 0.00 0.00 57.03 56.97 1cm4 h ASP 50 Cb 0.63 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.17 1cm4 h ASP 50 CO 0.03 0.09 -0.85 0.23 -1.72 0.00 0.00 179.24 177.02 1cm4 n MET 51 N -3.25 0.49 0.02 3.56 2.81 -0.69 -4.33 117.12 115.74 1cm4 n MET 51 Ca -0.00 0.49 -0.13 0.00 -1.81 0.00 0.00 57.70 56.25 1cm4 n MET 51 Cb 0.33 -1.67 -0.09 0.00 -0.71 0.00 0.00 33.22 31.08 1cm4 n MET 51 CO 0.00 0.00 0.00 0.82 1.51 0.00 0.00 175.97 178.30 1cm4 h ILE 52 N -1.00 1.20 0.00 2.02 1.08 -1.57 -3.25 117.51 115.99 1cm4 h ILE 52 Ca -0.12 -1.04 0.00 0.00 -0.39 0.00 0.00 64.86 63.32 1cm4 h ILE 52 Cb 0.81 1.86 0.00 0.00 -3.07 0.00 0.00 36.82 36.41 1cm4 h ILE 52 CO -0.07 0.25 0.00 0.59 -0.69 0.00 0.00 178.15 178.23 1cm4 n ASN 53 N -4.91 0.10 -0.08 1.72 5.03 -1.16 -1.43 115.26 114.52 1cm4 n ASN 53 Ca -0.08 0.53 -0.14 0.00 0.87 0.00 0.00 54.58 55.76 1cm4 n ASN 53 Cb 0.25 -0.55 -0.05 0.00 -1.02 0.00 0.00 39.78 38.41 1cm4 n ASN 53 CO 0.00 0.00 0.00 -0.08 -1.83 0.00 0.00 177.26 175.35 1cm4 h GLU 54 N 0.00 0.72 -0.58 3.52 4.81 -1.74 -3.24 114.58 118.07 1cm4 h GLU 54 Ca 0.00 -0.42 0.00 0.00 -0.13 0.00 0.00 59.36 58.81 1cm4 h GLU 54 Cb 0.16 0.04 0.00 0.00 0.63 0.00 0.00 28.75 29.57 1cm4 h GLU 54 CO 0.00 1.05 0.00 0.28 -0.73 0.00 0.00 179.01 179.61 1cm4 n VAL 55 N -4.20 1.08 0.00 0.32 0.31 -0.76 -4.82 118.33 110.26 1cm4 n VAL 55 Ca -0.05 -1.03 0.00 0.00 -0.01 0.00 0.00 64.34 63.25 1cm4 n VAL 55 Cb 0.53 0.46 0.00 0.00 -0.91 0.00 0.00 33.84 33.92 1cm4 n VAL 55 CO 0.00 0.00 0.00 -0.67 -1.32 0.00 0.00 176.83 174.84 1cm4 n ASP 56 N 1.15 0.00 -1.39 4.52 2.03 -0.51 -4.89 116.55 117.46 1cm4 n ASP 56 Ca 0.20 0.84 0.17 0.00 0.52 0.00 0.00 54.79 56.51 1cm4 n ASP 56 Cb 0.57 -0.34 -0.08 0.00 -0.72 0.00 0.00 41.12 40.56 1cm4 n ASP 56 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1cm4 n ALA 57 N -1.62 -3.66 -0.45 -1.67 0.00 -1.26 -4.78 120.51 107.07 1cm4 n ALA 57 Ca 0.00 0.79 0.00 0.00 0.00 0.00 0.00 53.44 54.23 1cm4 n ALA 57 Cb 0.00 -1.47 0.00 0.00 0.00 0.00 0.00 19.45 17.98 1cm4 n ALA 57 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 1cm4 n ASP 58 N -4.30 -2.39 0.00 0.00 5.68 -1.26 -4.61 116.55 109.67 1cm4 n ASP 58 Ca -0.07 0.00 0.00 0.00 -0.50 0.00 0.00 54.79 54.22 1cm4 n ASP 58 Cb 0.65 -1.85 0.00 0.00 -1.14 0.00 0.00 41.12 38.78 1cm4 n ASP 58 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1cm4 n GLY 59 N 0.30 0.53 4.21 6.12 0.00 -1.26 -4.95 105.19 110.13 1cm4 n GLY 59 Ca 0.00 -0.83 0.00 0.00 0.00 0.00 0.00 46.02 45.19 1cm4 n GLY 59 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1cm4 n ASN 60 N 4.63 0.00 0.00 1.61 6.94 -1.26 -4.41 115.26 122.76 1cm4 n ASN 60 Ca 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 54.58 54.56 1cm4 n ASN 60 Cb 0.00 -0.48 0.00 0.00 -2.36 0.00 0.00 39.78 36.94 1cm4 n ASN 60 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1cm4 n GLY 61 N -0.79 0.74 3.49 4.83 0.00 -1.26 -5.03 105.19 107.17 1cm4 n GLY 61 Ca 0.00 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.79 1cm4 n GLY 61 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1cm4 s THR 62 N -3.02 1.31 -0.20 2.61 -4.23 -1.26 -4.69 115.64 106.16 1cm4 s THR 62 Ca 0.00 -2.00 0.01 0.00 -1.18 0.00 0.00 61.69 58.52 1cm4 s THR 62 Cb 0.00 -2.81 0.03 0.00 1.34 0.00 0.00 72.50 71.06 1cm4 s THR 62 CO 0.00 0.00 -0.17 -0.63 -0.54 0.00 0.00 174.62 173.28 1cm4 s ILE 63 N -3.19 2.07 0.79 2.99 1.01 0.50 -4.79 121.20 120.58 1cm4 s ILE 63 Ca 0.36 -1.11 -0.08 0.00 0.00 0.00 0.00 60.65 59.82 1cm4 s ILE 63 Cb 0.09 -1.96 0.13 0.00 0.01 0.00 0.00 42.46 40.73 1cm4 s ILE 63 CO 0.16 0.39 1.11 1.51 0.00 0.00 0.00 174.94 178.10 1cm4 s ASP 64 N 1.25 4.09 0.16 3.58 1.47 -1.26 0.26 116.67 126.21 1cm4 s ASP 64 Ca 0.01 0.09 -0.11 0.00 1.18 0.00 0.00 52.55 53.72 1cm4 s ASP 64 Cb -0.15 -0.45 0.05 0.00 -0.34 0.00 0.00 42.92 42.03 1cm4 s ASP 64 CO -0.11 -2.07 1.64 0.15 0.68 0.00 0.00 175.17 175.47 1cm4 h PHE 65 N -0.91 0.99 -0.92 2.11 3.57 -2.00 -2.67 116.94 117.11 1cm4 h PHE 65 Ca -0.41 -0.14 0.27 0.00 3.53 0.00 0.00 57.97 61.21 1cm4 h PHE 65 Cb 1.27 -0.27 -0.15 0.00 2.79 0.00 0.00 35.95 39.59 1cm4 h PHE 65 CO -0.35 0.88 0.32 -1.35 -2.23 0.00 0.00 178.31 175.58 1cm4 h PRO 66 N 0.81 0.21 -0.24 6.41 0.11 -1.98 -0.05 132.00 137.27 1cm4 h PRO 66 Ca 0.17 -0.01 -0.05 0.00 0.11 0.00 0.00 66.00 66.22 1cm4 h PRO 66 Cb 0.44 -0.05 -0.01 0.00 0.11 0.00 0.00 31.00 31.49 1cm4 h PRO 66 CO 0.01 0.14 -0.04 0.93 -0.21 0.00 0.00 178.00 178.84 1cm4 h GLU 67 N 0.22 0.45 -0.57 1.05 5.08 -1.84 -1.91 114.58 117.05 1cm4 h GLU 67 Ca 0.61 -0.16 0.01 0.00 -1.00 0.00 0.00 59.36 58.82 1cm4 h GLU 67 Cb 1.31 -0.03 -0.03 0.00 0.50 0.00 0.00 28.75 30.49 1cm4 h GLU 67 CO -0.66 0.66 0.37 0.35 -1.00 0.00 0.00 179.01 178.73 1cm4 h PHE 68 N 0.20 0.70 -0.67 4.33 3.04 -1.09 -1.48 116.94 121.98 1cm4 h PHE 68 Ca 0.06 0.02 0.01 0.00 3.98 0.00 0.00 57.97 62.04 1cm4 h PHE 68 Cb 0.48 -0.24 -0.04 0.00 2.56 0.00 0.00 35.95 38.72 1cm4 h PHE 68 CO 0.05 0.43 0.44 1.25 -2.02 0.00 0.00 178.31 178.45 1cm4 h LEU 69 N 0.75 0.74 -0.51 0.59 5.85 -0.95 -2.00 115.31 119.78 1cm4 h LEU 69 Ca 0.22 -0.01 -0.13 0.00 0.84 0.00 0.00 57.88 58.79 1cm4 h LEU 69 Cb -0.06 -0.18 -0.01 0.00 0.37 0.00 0.00 40.66 40.78 1cm4 h LEU 69 CO -0.06 0.53 -0.19 0.74 -0.34 0.00 0.00 178.44 179.13 1cm4 h THR 70 N 0.88 1.27 -0.89 1.05 2.02 -0.86 -2.96 112.91 113.42 1cm4 h THR 70 Ca 0.25 -1.35 0.06 0.00 0.77 0.00 0.00 66.41 66.14 1cm4 h THR 70 Cb -0.07 1.07 -0.06 0.00 -1.74 0.00 0.00 68.15 67.35 1cm4 h THR 70 CO -0.07 0.47 0.56 -0.03 0.37 0.00 0.00 175.52 176.82 1cm4 h MET 71 N 0.88 1.00 0.00 6.66 1.85 -0.93 0.82 114.93 125.21 1cm4 h MET 71 Ca 0.12 -0.06 0.00 0.00 -0.61 0.00 0.00 59.70 59.15 1cm4 h MET 71 Cb 0.77 -0.22 0.00 0.00 0.43 0.00 0.00 31.60 32.57 1cm4 h MET 71 CO 0.06 0.66 0.00 -1.33 -0.40 0.00 0.00 176.91 175.90 1cm4 n MET 72 N -4.59 0.05 -0.01 0.39 2.00 -0.78 -2.46 117.12 111.71 1cm4 n MET 72 Ca 0.13 0.33 -0.02 0.00 0.00 0.00 0.00 57.70 58.14 1cm4 n MET 72 Cb 0.17 -1.60 -0.01 0.00 0.00 0.00 0.00 33.22 31.78 1cm4 n MET 72 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 1cm4 n ALA 73 N -1.57 1.12 -2.77 3.04 0.00 -0.75 -4.79 120.51 114.79 1cm4 n ALA 73 Ca 0.03 -0.29 -0.44 0.00 0.00 0.00 0.00 53.44 52.74 1cm4 n ALA 73 Cb 0.16 0.03 0.00 0.00 0.00 0.00 0.00 19.45 19.64 1cm4 n ALA 73 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1cm4 n ARG 74 N -2.99 3.47 -2.11 0.00 5.12 0.21 -4.97 116.66 115.40 1cm4 n ARG 74 Ca -0.03 -3.78 -0.28 0.00 -1.93 0.00 0.00 57.85 51.83 1cm4 n ARG 74 Cb 0.11 -2.98 0.16 0.00 -1.16 0.00 0.00 32.46 28.59 1cm4 n ARG 74 CO 0.00 0.00 0.00 0.15 -1.93 0.00 0.00 177.63 175.85 1cm4 s LYS 75 N 1.03 0.93 0.59 5.56 1.02 -1.03 -4.49 119.74 123.36 1cm4 s LYS 75 Ca 0.41 -0.60 -0.02 0.00 0.02 0.00 0.00 55.97 55.79 1cm4 s LYS 75 Cb 0.01 -1.98 0.04 0.00 -0.52 0.00 0.00 37.83 35.38 1cm4 s LYS 75 CO 0.00 -2.15 0.84 0.00 -0.92 0.00 0.00 175.35 173.13 1cm4 s MET 76 N -5.69 2.53 0.83 1.68 0.00 -1.26 -5.11 119.30 112.28 1cm4 s MET 76 Ca 0.72 -0.54 -0.09 0.00 0.00 0.00 0.00 55.69 55.78 1cm4 s MET 76 Cb -0.04 -2.39 0.15 0.00 0.00 0.00 0.00 34.83 32.55 1cm4 s MET 76 CO 0.51 -0.81 1.15 0.21 0.00 0.00 0.00 175.02 176.07 1cm4 s LYS 77 N -4.90 1.27 0.36 3.16 2.36 -1.26 -5.11 119.74 115.62 1cm4 s LYS 77 Ca 0.57 -0.67 0.07 0.00 -2.55 0.00 0.00 55.97 53.39 1cm4 s LYS 77 Cb -0.10 -2.08 -0.02 0.00 -1.05 0.00 0.00 37.83 34.57 1cm4 s LYS 77 CO 0.41 -1.87 0.33 0.16 1.55 0.00 0.00 175.35 175.92 1cm4 s ASP 78 N -4.78 5.25 0.00 1.43 -4.77 -1.26 -5.12 116.67 107.42 1cm4 s ASP 78 Ca 0.69 -0.56 0.00 0.00 -3.30 0.00 0.00 52.55 49.38 1cm4 s ASP 78 Cb -0.05 -0.86 0.00 0.00 -1.09 0.00 0.00 42.92 40.92 1cm4 s ASP 78 CO 0.48 -0.45 0.00 0.35 0.70 0.00 0.00 175.17 176.26 1cm4 n THR 79 N -1.44 0.00 0.68 2.11 -2.24 -1.26 -4.90 114.28 107.23 1cm4 n THR 79 Ca -0.00 0.00 -0.02 0.00 -2.27 0.00 0.00 64.05 61.76 1cm4 n THR 79 Cb 0.60 0.00 0.01 0.00 -2.10 0.00 0.00 70.33 68.84 1cm4 n THR 79 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 1cm4 n ASP 80 N 0.00 3.36 -4.74 3.42 5.68 -1.26 -4.88 116.55 118.13 1cm4 n ASP 80 Ca 0.00 -2.15 -0.29 0.00 -0.50 0.00 0.00 54.79 51.85 1cm4 n ASP 80 Cb 0.00 -0.60 -0.07 0.00 -1.14 0.00 0.00 41.12 39.31 1cm4 n ASP 80 CO 0.00 0.00 0.00 -0.55 -1.33 0.00 0.00 177.20 175.32 1cm4 s SER 81 N 0.97 5.26 0.23 -1.12 0.15 -1.26 -4.98 113.70 112.95 1cm4 s SER 81 Ca 0.04 -0.14 0.00 0.00 0.70 0.00 0.00 55.95 56.55 1cm4 s SER 81 Cb 0.03 -1.32 0.00 0.00 -1.71 0.00 0.00 66.02 63.02 1cm4 s SER 81 CO 0.01 0.14 0.00 1.21 1.20 0.00 0.00 173.24 175.80 1cm4 n GLU 82 N 0.28 0.00 -3.02 5.44 0.00 -1.26 -5.01 120.64 117.07 1cm4 n GLU 82 Ca -0.09 0.00 -0.44 0.00 0.00 0.00 0.00 57.16 56.63 1cm4 n GLU 82 Cb 0.53 0.00 0.00 0.00 0.00 0.00 0.00 31.44 31.97 1cm4 n GLU 82 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.13 176.28 1cm4 n GLU 83 N -3.00 3.73 0.21 5.31 -0.00 -1.26 -4.78 120.64 120.86 1cm4 n GLU 83 Ca 0.00 -4.20 0.11 0.00 -0.00 0.00 0.00 57.16 53.07 1cm4 n GLU 83 Cb 0.00 -2.72 0.22 0.00 -0.00 0.00 0.00 31.44 28.94 1cm4 n GLU 83 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.13 178.62 1cm4 h GLU 84 N 6.36 0.00 0.10 3.44 4.81 -2.00 -3.05 114.58 124.24 1cm4 h GLU 84 Ca 0.25 0.00 -0.26 0.00 -0.13 0.00 0.00 59.36 59.22 1cm4 h GLU 84 Cb 0.78 0.00 0.01 0.00 0.63 0.00 0.00 28.75 30.16 1cm4 h GLU 84 CO 1.24 0.10 -1.16 0.82 -0.73 0.00 0.00 179.01 179.28 1cm4 h ILE 85 N 0.00 1.46 -0.25 2.32 2.04 -2.00 -2.70 117.51 118.39 1cm4 h ILE 85 Ca -0.00 -2.85 -0.12 0.00 1.00 0.00 0.00 64.86 62.88 1cm4 h ILE 85 Cb 1.00 2.79 -0.01 0.00 -0.74 0.00 0.00 36.82 39.86 1cm4 h ILE 85 CO 0.01 0.84 -0.35 -0.09 0.00 0.00 0.00 178.15 178.56 1cm4 h ARG 86 N 0.12 0.54 -0.60 2.37 9.65 -1.96 -1.57 114.38 122.94 1cm4 h ARG 86 Ca -0.12 -0.25 -0.10 0.00 -1.10 0.00 0.00 59.98 58.41 1cm4 h ARG 86 Cb 1.86 -0.01 -0.02 0.00 -1.39 0.00 0.00 29.97 30.41 1cm4 h ARG 86 CO 0.19 0.82 -0.01 0.93 2.80 0.00 0.00 179.97 184.70 1cm4 h GLU 87 N 0.46 1.07 -0.15 0.20 5.08 -1.56 -1.08 114.58 118.60 1cm4 h GLU 87 Ca 0.05 -0.35 -0.15 0.00 -1.00 0.00 0.00 59.36 57.91 1cm4 h GLU 87 Cb 0.83 -0.09 0.00 0.00 0.50 0.00 0.00 28.75 29.99 1cm4 h GLU 87 CO 0.07 1.05 -0.47 0.00 -1.00 0.00 0.00 179.01 178.66 1cm4 h ALA 88 N 0.98 0.26 -1.00 3.43 0.00 -1.46 -2.88 119.26 118.59 1cm4 h ALA 88 Ca 0.17 -0.49 0.08 0.00 0.00 0.00 0.00 54.91 54.67 1cm4 h ALA 88 Cb 0.58 -0.03 -0.07 0.00 0.00 0.00 0.00 17.79 18.27 1cm4 h ALA 88 CO 0.03 0.42 0.64 0.35 0.00 0.00 0.00 179.25 180.69 1cm4 h PHE 89 N 0.23 1.18 -0.62 0.00 3.57 -1.18 -0.75 116.94 119.36 1cm4 h PHE 89 Ca -0.02 0.03 -0.02 0.00 3.53 0.00 0.00 57.97 61.50 1cm4 h PHE 89 Cb 1.10 -0.38 -0.03 0.00 2.79 0.00 0.00 35.95 39.43 1cm4 h PHE 89 CO 0.10 0.57 0.33 0.00 -2.23 0.00 0.00 178.31 177.07 1cm4 h ARG 90 N 1.11 0.87 -0.49 1.11 3.08 -1.16 -0.62 114.38 118.28 1cm4 h ARG 90 Ca 0.45 -0.10 -0.12 0.00 0.07 0.00 0.00 59.98 60.28 1cm4 h ARG 90 Cb 0.27 -0.17 -0.02 0.00 0.08 0.00 0.00 29.97 30.13 1cm4 h ARG 90 CO -0.20 0.65 -0.16 0.28 -1.07 0.00 0.00 179.97 179.47 1cm4 h VAL 91 N 0.87 1.27 0.37 2.04 2.07 -0.92 -3.33 116.25 118.61 1cm4 h VAL 91 Ca 0.22 -1.31 -0.02 0.00 0.82 0.00 0.00 66.70 66.41 1cm4 h VAL 91 Cb 0.05 1.06 0.00 0.00 -1.52 0.00 0.00 31.29 30.88 1cm4 h VAL 91 CO -0.03 0.45 -0.18 -0.26 0.02 0.00 0.00 177.57 177.57 1cm4 h PHE 92 N 0.84 -0.46 -0.23 1.57 -1.00 -0.99 -3.40 116.94 113.28 1cm4 h PHE 92 Ca 0.12 -0.01 -0.08 0.00 2.81 0.00 0.00 57.97 60.81 1cm4 h PHE 92 Cb 0.72 0.15 -0.01 0.00 3.61 0.00 0.00 35.95 40.42 1cm4 h PHE 92 CO 0.05 -0.28 0.25 0.34 -1.61 0.00 0.00 178.31 177.05 1cm4 s ASP 93 N -4.41 3.81 0.02 2.17 2.15 -0.30 -4.82 116.67 115.28 1cm4 s ASP 93 Ca -0.07 -0.95 -0.10 0.00 0.43 0.00 0.00 52.55 51.87 1cm4 s ASP 93 Cb 0.01 -2.59 -0.05 0.00 -0.30 0.00 0.00 42.92 39.99 1cm4 s ASP 93 CO 0.22 -4.31 1.15 0.11 -0.17 0.00 0.00 175.17 172.16 1cm4 h LYS 94 N 11.43 -0.27 -6.20 4.34 1.57 -1.78 -3.30 116.57 122.35 1cm4 h LYS 94 Ca 0.05 0.02 -0.57 0.00 -1.87 0.00 0.00 60.65 58.27 1cm4 h LYS 94 Cb 0.99 0.06 -0.06 0.00 0.08 0.00 0.00 32.23 33.30 1cm4 h LYS 94 CO 1.05 -0.18 0.85 0.16 -0.57 0.00 0.00 179.45 180.76 1cm4 s ASP 95 N -2.76 6.98 -0.67 0.86 1.47 -1.26 -4.90 116.67 116.39 1cm4 s ASP 95 Ca -0.05 1.29 -0.04 0.00 1.18 0.00 0.00 52.55 54.93 1cm4 s ASP 95 Cb 0.01 -2.54 -0.05 0.00 -0.34 0.00 0.00 42.92 40.00 1cm4 s ASP 95 CO 0.16 -0.80 1.91 0.61 0.68 0.00 0.00 175.17 177.73 1cm4 n GLY 96 N 3.66 2.76 0.44 2.12 0.00 -1.24 -4.36 105.19 108.56 1cm4 n GLY 96 Ca 0.13 -0.68 0.12 0.00 0.00 0.00 0.00 46.02 45.58 1cm4 n GLY 96 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1cm4 n ASN 97 N 4.18 1.78 0.00 1.61 6.94 -1.26 -4.97 115.26 123.54 1cm4 n ASN 97 Ca 0.35 -1.36 0.00 0.00 -0.02 0.00 0.00 54.58 53.55 1cm4 n ASN 97 Cb 0.14 0.37 0.00 0.00 -2.36 0.00 0.00 39.78 37.93 1cm4 n ASN 97 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1cm4 n GLY 98 N 1.39 0.76 2.72 4.83 0.00 -1.26 -5.05 105.19 108.59 1cm4 n GLY 98 Ca 0.10 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.84 1cm4 n GLY 98 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1cm4 s TYR 99 N -2.29 1.16 -0.27 1.61 1.51 -1.26 -3.73 117.35 114.08 1cm4 s TYR 99 Ca 0.00 -1.08 -0.29 0.00 -1.01 0.00 0.00 57.07 54.70 1cm4 s TYR 99 Cb 0.00 -1.18 -0.02 0.00 -0.11 0.00 0.00 41.96 40.65 1cm4 s TYR 99 CO 0.00 -0.69 1.72 0.42 -1.11 0.00 0.00 175.55 175.89 1cm4 s ILE 100 N 1.81 3.56 0.73 2.71 1.01 0.57 -4.85 121.20 126.73 1cm4 s ILE 100 Ca 0.02 0.60 -0.10 0.00 0.00 0.00 0.00 60.65 61.17 1cm4 s ILE 100 Cb -0.17 -3.65 0.05 0.00 0.01 0.00 0.00 42.46 38.70 1cm4 s ILE 100 CO -0.14 -0.35 1.09 -0.94 0.00 0.00 0.00 174.94 174.60 1cm4 s SER 101 N 5.21 4.99 0.35 3.58 1.04 -1.26 -1.41 113.70 126.18 1cm4 s SER 101 Ca 0.76 0.81 0.04 0.00 0.48 0.00 0.00 55.95 58.04 1cm4 s SER 101 Cb -0.24 -1.49 0.63 0.00 0.10 0.00 0.00 66.02 65.02 1cm4 s SER 101 CO 0.32 -1.57 1.91 0.00 0.98 0.00 0.00 173.24 174.89 1cm4 h ALA 102 N -0.73 1.43 -0.05 5.32 0.00 -1.94 -2.32 119.26 120.97 1cm4 h ALA 102 Ca -0.45 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.30 1cm4 h ALA 102 Cb 1.30 -0.17 -0.00 0.00 0.00 0.00 0.00 17.79 18.92 1cm4 h ALA 102 CO 0.63 0.42 0.03 0.00 0.00 0.00 0.00 179.25 180.33 1cm4 h ALA 103 N 1.54 0.07 0.00 0.00 0.00 -1.97 -2.05 119.26 116.85 1cm4 h ALA 103 Ca 0.13 -0.00 -0.07 0.00 0.00 0.00 0.00 54.91 54.97 1cm4 h ALA 103 Cb 0.22 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 17.98 1cm4 h ALA 103 CO -0.00 -0.44 -0.35 0.93 0.00 0.00 0.00 179.25 179.39 1cm4 h GLU 104 N 0.07 0.00 -0.52 0.00 5.08 -1.83 -2.01 114.58 115.37 1cm4 h GLU 104 Ca 0.02 0.00 -0.12 0.00 -1.00 0.00 0.00 59.36 58.26 1cm4 h GLU 104 Cb -0.01 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.23 1cm4 h GLU 104 CO -0.01 0.35 -0.15 1.25 -1.00 0.00 0.00 179.01 179.45 1cm4 h LEU 105 N 0.00 1.03 -0.85 1.33 5.85 -1.12 -1.79 115.31 119.76 1cm4 h LEU 105 Ca -0.00 -0.37 -0.03 0.00 0.84 0.00 0.00 57.88 58.32 1cm4 h LEU 105 Cb 0.64 -0.28 -0.04 0.00 0.37 0.00 0.00 40.66 41.35 1cm4 h LEU 105 CO 0.05 1.17 0.42 -0.09 -0.34 0.00 0.00 178.44 179.64 1cm4 h ARG 106 N 0.89 1.22 -0.56 1.25 2.43 -0.97 -1.57 114.38 117.07 1cm4 h ARG 106 Ca 0.13 -0.17 0.01 0.00 -0.81 0.00 0.00 59.98 59.14 1cm4 h ARG 106 Cb 0.73 -0.22 -0.03 0.00 -0.42 0.00 0.00 29.97 30.03 1cm4 h ARG 106 CO 0.06 0.93 0.35 0.45 -1.51 0.00 0.00 179.97 180.25 1cm4 h HIS 107 N 1.21 0.67 -0.54 2.20 3.86 -1.04 -2.44 115.15 119.08 1cm4 h HIS 107 Ca 0.30 0.02 -0.08 0.00 -1.16 0.00 0.00 60.37 59.45 1cm4 h HIS 107 Cb 0.10 -0.22 -0.02 0.00 1.06 0.00 0.00 27.41 28.33 1cm4 h HIS 107 CO 0.01 0.40 0.03 0.28 0.86 0.00 0.00 177.93 179.52 1cm4 h VAL 108 N 0.71 1.25 -0.04 2.45 2.07 -0.84 -2.90 116.25 118.96 1cm4 h VAL 108 Ca 0.21 -1.02 -0.19 0.00 0.82 0.00 0.00 66.70 66.52 1cm4 h VAL 108 Cb -0.04 0.80 -0.01 0.00 -1.52 0.00 0.00 31.29 30.53 1cm4 h VAL 108 CO -0.07 0.37 -0.80 0.24 0.02 0.00 0.00 177.57 177.33 1cm4 h MET 109 N 0.83 0.33 -0.41 1.57 2.86 -1.10 -2.75 114.93 116.27 1cm4 h MET 109 Ca 0.16 -0.31 -0.14 0.00 -2.06 0.00 0.00 59.70 57.35 1cm4 h MET 109 Cb 0.45 0.07 -0.01 0.00 0.06 0.00 0.00 31.60 32.18 1cm4 h MET 109 CO 0.02 0.97 -0.32 1.15 1.06 0.00 0.00 176.91 179.79 1cm4 h THR 110 N 0.21 1.27 0.00 2.22 2.02 -1.40 0.18 112.91 117.41 1cm4 h THR 110 Ca -0.04 -1.48 -0.05 0.00 0.77 0.00 0.00 66.41 65.60 1cm4 h THR 110 Cb 1.39 1.29 -0.01 0.00 -1.74 0.00 0.00 68.15 69.08 1cm4 h THR 110 CO 0.13 0.50 -0.24 -1.13 0.37 0.00 0.00 175.52 175.15 1cm4 h ASN 111 N 0.76 0.00 0.35 4.18 -1.24 -1.51 -1.13 115.58 117.00 1cm4 h ASN 111 Ca 0.08 0.00 0.00 0.00 0.71 0.00 0.00 56.30 57.09 1cm4 h ASN 111 Cb 0.89 0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.94 1cm4 h ASN 111 CO 0.08 0.24 -0.12 0.18 -1.29 0.00 0.00 177.43 176.52 1cm4 n LEU 112 N -4.08 0.52 0.00 0.34 4.77 -1.01 -4.95 117.00 112.59 1cm4 n LEU 112 Ca -0.02 -0.02 0.00 0.00 -0.03 0.00 0.00 56.01 55.94 1cm4 n LEU 112 Cb 0.31 -0.18 0.00 0.00 -2.33 0.00 0.00 43.42 41.22 1cm4 n LEU 112 CO 0.36 0.10 0.00 0.61 -1.33 0.00 0.00 177.39 177.13 1cm4 n GLY 113 N 1.29 1.21 3.65 -0.72 0.00 -0.43 -4.95 105.19 105.24 1cm4 n GLY 113 Ca 0.14 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.73 1cm4 n GLY 113 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1cm4 s GLU 114 N -0.75 4.13 -0.43 1.61 2.02 0.55 -4.92 118.70 120.92 1cm4 s GLU 114 Ca 0.00 1.57 -0.14 0.00 0.02 0.00 0.00 54.97 56.43 1cm4 s GLU 114 Cb 0.00 -3.82 0.05 0.00 0.10 0.00 0.00 34.13 30.46 1cm4 s GLU 114 CO 0.00 -0.85 0.31 0.15 0.02 0.00 0.00 175.26 174.89 1cm4 s LYS 115 N 3.75 2.89 0.17 1.61 1.02 -1.26 -3.59 119.74 124.32 1cm4 s LYS 115 Ca 0.57 -1.21 0.04 0.00 0.02 0.00 0.00 55.97 55.39 1cm4 s LYS 115 Cb -0.21 -3.96 -0.05 0.00 -0.52 0.00 0.00 37.83 33.10 1cm4 s LYS 115 CO 0.18 -0.87 -0.08 -0.48 -0.92 0.00 0.00 175.35 173.18 1cm4 s LEU 116 N 1.61 2.47 0.68 3.17 0.05 -1.26 -5.15 118.68 120.24 1cm4 s LEU 116 Ca 0.04 -1.05 -0.14 0.00 0.05 0.00 0.00 54.13 53.02 1cm4 s LEU 116 Cb -0.21 -0.35 0.01 0.00 -2.05 0.00 0.00 46.19 43.59 1cm4 s LEU 116 CO 0.07 -0.36 1.11 -0.89 -0.55 0.00 0.00 176.35 175.73 1cm4 s THR 117 N -3.33 3.25 0.31 5.48 2.01 -1.26 -4.86 115.64 117.25 1cm4 s THR 117 Ca 0.19 0.54 0.03 0.00 0.31 0.00 0.00 61.69 62.76 1cm4 s THR 117 Cb 0.03 -3.06 0.14 0.00 0.01 0.00 0.00 72.50 69.62 1cm4 s THR 117 CO 0.02 -0.40 1.83 0.44 -0.69 0.00 0.00 174.62 175.82 1cm4 h ASP 118 N -0.22 0.54 -0.90 3.53 5.19 -2.01 -0.21 116.42 122.35 1cm4 h ASP 118 Ca -0.46 -0.12 0.02 0.00 -0.62 0.00 0.00 57.03 55.85 1cm4 h ASP 118 Cb 1.24 -0.14 -0.05 0.00 0.18 0.00 0.00 39.33 40.56 1cm4 h ASP 118 CO 0.53 0.64 0.59 -0.08 -3.12 0.00 0.00 179.24 177.81 1cm4 h GLU 119 N 0.54 1.16 -0.10 3.56 4.57 -1.99 -1.60 114.58 120.73 1cm4 h GLU 119 Ca 0.11 -0.07 -0.21 0.00 -1.18 0.00 0.00 59.36 58.01 1cm4 h GLU 119 Cb 0.40 -0.26 0.00 0.00 -0.16 0.00 0.00 28.75 28.73 1cm4 h GLU 119 CO 0.02 0.77 -0.78 0.93 -1.18 0.00 0.00 179.01 178.77 1cm4 h GLU 120 N 1.19 0.57 -0.39 1.92 5.08 -1.68 -1.53 114.58 119.75 1cm4 h GLU 120 Ca 0.34 -0.48 -0.02 0.00 -1.00 0.00 0.00 59.36 58.20 1cm4 h GLU 120 Cb -0.10 0.10 -0.02 0.00 0.50 0.00 0.00 28.75 29.23 1cm4 h GLU 120 CO -0.08 1.11 0.18 0.28 -1.00 0.00 0.00 179.01 179.50 1cm4 h VAL 121 N 0.38 1.18 0.00 3.13 2.07 -0.72 -1.96 116.25 120.33 1cm4 h VAL 121 Ca -0.05 -0.51 -0.06 0.00 0.82 0.00 0.00 66.70 66.90 1cm4 h VAL 121 Cb 1.38 0.80 -0.01 0.00 -1.52 0.00 0.00 31.29 31.94 1cm4 h VAL 121 CO 0.15 0.19 -0.28 -0.78 0.02 0.00 0.00 177.57 176.86 1cm4 h ASP 122 N 0.48 0.00 -0.61 0.57 1.82 -1.34 -2.90 116.42 114.44 1cm4 h ASP 122 Ca 0.13 0.00 -0.05 0.00 -0.39 0.00 0.00 57.03 56.72 1cm4 h ASP 122 Cb 0.13 0.00 -0.03 0.00 0.68 0.00 0.00 39.33 40.12 1cm4 h ASP 122 CO -0.02 0.28 0.17 -0.08 -1.61 0.00 0.00 179.24 177.99 1cm4 h GLU 123 N 0.00 0.96 -0.51 0.28 4.81 -0.82 -1.43 114.58 117.87 1cm4 h GLU 123 Ca -0.00 -0.22 -0.04 0.00 -0.13 0.00 0.00 59.36 58.96 1cm4 h GLU 123 Cb 1.04 -0.13 -0.02 0.00 0.63 0.00 0.00 28.75 30.26 1cm4 h GLU 123 CO 0.04 0.87 0.15 0.52 -0.73 0.00 0.00 179.01 179.85 1cm4 h MET 124 N 0.88 0.80 -0.46 1.92 2.86 -1.28 -2.08 114.93 117.56 1cm4 h MET 124 Ca 0.19 -0.18 0.00 0.00 -2.06 0.00 0.00 59.70 57.66 1cm4 h MET 124 Cb 0.32 -0.11 -0.02 0.00 0.06 0.00 0.00 31.60 31.85 1cm4 h MET 124 CO -0.00 0.75 0.30 0.82 1.06 0.00 0.00 176.91 179.84 1cm4 h ILE 125 N 0.70 1.13 0.00 -1.22 1.08 -1.30 -2.47 117.51 115.42 1cm4 h ILE 125 Ca 0.16 -0.26 -0.01 0.00 -0.39 0.00 0.00 64.86 64.36 1cm4 h ILE 125 Cb 0.30 0.47 -0.00 0.00 -3.07 0.00 0.00 36.82 34.52 1cm4 h ILE 125 CO -0.00 0.13 -0.06 0.03 -0.69 0.00 0.00 178.15 177.56 1cm4 h ARG 126 N 0.62 0.00 -0.12 2.37 3.08 -1.05 0.11 114.38 119.39 1cm4 h ARG 126 Ca 0.17 0.00 -0.21 0.00 0.07 0.00 0.00 59.98 60.01 1cm4 h ARG 126 Cb -0.04 0.00 0.01 0.00 0.08 0.00 0.00 29.97 30.02 1cm4 h ARG 126 CO -0.03 0.06 -0.74 0.93 -1.07 0.00 0.00 179.97 179.12 1cm4 h GLU 127 N 0.00 0.71 0.00 0.04 4.39 -0.90 -3.33 114.58 115.48 1cm4 h GLU 127 Ca -0.00 -0.60 0.00 0.00 0.34 0.00 0.00 59.36 59.10 1cm4 h GLU 127 Cb 0.31 0.13 0.00 0.00 -0.10 0.00 0.00 28.75 29.10 1cm4 h GLU 127 CO 0.01 1.21 -0.68 0.00 -1.16 0.00 0.00 179.01 178.39 1cm4 n ALA 128 N -2.60 3.25 -2.34 3.43 0.00 -0.75 -4.80 120.51 116.71 1cm4 n ALA 128 Ca -0.08 -0.32 -0.36 0.00 0.00 0.00 0.00 53.44 52.68 1cm4 n ALA 128 Cb 0.72 -1.10 -0.04 0.00 0.00 0.00 0.00 19.45 19.03 1cm4 n ALA 128 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 1cm4 s ASP 129 N -3.74 5.88 0.13 0.00 2.15 0.30 -4.78 116.67 116.60 1cm4 s ASP 129 Ca 0.07 -0.89 -0.13 0.00 0.43 0.00 0.00 52.55 52.03 1cm4 s ASP 129 Cb 0.15 -2.56 -0.05 0.00 -0.30 0.00 0.00 42.92 40.16 1cm4 s ASP 129 CO 0.73 -2.05 1.47 0.40 -0.17 0.00 0.00 175.17 175.56 1cm4 h ILE 130 N 6.86 1.28 0.00 4.11 2.04 -1.88 -3.30 117.51 126.63 1cm4 h ILE 130 Ca 0.06 -1.44 0.00 0.00 1.00 0.00 0.00 64.86 64.48 1cm4 h ILE 130 Cb 1.03 1.39 0.00 0.00 -0.74 0.00 0.00 36.82 38.50 1cm4 h ILE 130 CO 1.32 0.48 -0.47 -0.90 0.00 0.00 0.00 178.15 178.57 1cm4 n ASP 131 N -4.19 0.62 0.00 1.72 5.68 -1.26 -4.97 116.55 114.16 1cm4 n ASP 131 Ca -0.02 0.14 0.00 0.00 -0.50 0.00 0.00 54.79 54.41 1cm4 n ASP 131 Cb 0.48 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.46 1cm4 n ASP 131 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1cm4 n GLY 132 N 1.38 0.52 0.14 6.12 0.00 -1.25 -4.97 105.19 107.14 1cm4 n GLY 132 Ca 0.04 -0.87 0.12 0.00 0.00 0.00 0.00 46.02 45.31 1cm4 n GLY 132 CO 0.00 0.00 0.00 1.29 0.00 0.00 0.00 173.32 174.61 1cm4 h ASP 133 N 0.00 0.00 0.00 1.61 2.03 -1.93 -3.47 116.42 114.66 1cm4 h ASP 133 Ca 0.00 -0.03 0.00 0.00 -0.73 0.00 0.00 57.03 56.27 1cm4 h ASP 133 Cb 0.21 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 38.71 1cm4 h ASP 133 CO 0.00 0.02 0.00 0.61 -1.03 0.00 0.00 179.24 178.84 1cm4 n GLY 134 N 1.22 0.84 3.35 7.15 0.00 -1.26 -5.09 105.19 111.40 1cm4 n GLY 134 Ca 0.04 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.85 1cm4 n GLY 134 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1cm4 s GLN 135 N -0.55 1.76 -0.18 1.61 -0.21 -1.26 -4.64 119.66 116.20 1cm4 s GLN 135 Ca 0.00 -2.04 0.01 0.00 0.02 0.00 0.00 55.36 53.35 1cm4 s GLN 135 Cb 0.00 0.01 0.02 0.00 1.00 0.00 0.00 33.01 34.04 1cm4 s GLN 135 CO 0.00 -0.57 -0.20 0.08 -2.12 0.00 0.00 175.29 172.48 1cm4 s VAL 136 N -3.43 2.08 0.31 1.09 1.01 -0.50 -4.58 120.40 116.38 1cm4 s VAL 136 Ca 0.35 -0.96 0.03 0.00 0.00 0.00 0.00 61.98 61.40 1cm4 s VAL 136 Cb 0.03 -1.88 0.06 0.00 0.00 0.00 0.00 36.38 34.58 1cm4 s VAL 136 CO 0.22 0.52 0.43 -0.46 0.00 0.00 0.00 175.10 175.81 1cm4 n ASN 137 N 4.62 0.88 0.03 3.32 6.94 -1.26 -0.32 115.26 129.47 1cm4 n ASN 137 Ca -0.21 -1.67 -0.13 0.00 -0.02 0.00 0.00 54.58 52.55 1cm4 n ASN 137 Cb 0.50 -0.25 -0.09 0.00 -2.36 0.00 0.00 39.78 37.58 1cm4 n ASN 137 CO 0.00 0.00 0.00 0.22 -1.03 0.00 0.00 177.26 176.45 1cm4 h TYR 138 N -0.17 -0.06 0.00 -2.53 3.20 -2.00 -1.67 116.97 113.74 1cm4 h TYR 138 Ca -0.15 -0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.72 1cm4 h TYR 138 Cb 0.61 0.02 0.00 0.00 1.54 0.00 0.00 36.73 38.90 1cm4 h TYR 138 CO 0.00 0.23 0.00 0.93 -1.64 0.00 0.00 178.16 177.68 1cm4 h GLU 139 N -0.34 0.00 0.04 1.82 3.07 -1.96 -0.03 114.58 117.17 1cm4 h GLU 139 Ca -0.01 0.00 -0.33 0.00 -0.50 0.00 0.00 59.36 58.53 1cm4 h GLU 139 Cb 0.31 0.00 -0.04 0.00 -0.84 0.00 0.00 28.75 28.18 1cm4 h GLU 139 CO 0.01 0.00 -1.89 0.39 -1.40 0.00 0.00 179.01 176.12 1cm4 n GLU 140 N -2.61 0.68 -0.14 2.33 1.02 -1.18 -3.34 120.64 117.40 1cm4 n GLU 140 Ca -0.01 0.25 -0.09 0.00 -0.02 0.00 0.00 57.16 57.29 1cm4 n GLU 140 Cb 0.13 -1.73 -0.01 0.00 -0.02 0.00 0.00 31.44 29.81 1cm4 n GLU 140 CO 0.00 0.00 0.00 0.35 1.18 0.00 0.00 177.13 178.66 1cm4 h PHE 141 N 0.02 0.69 -0.73 -0.32 3.04 -0.20 -0.97 116.94 118.47 1cm4 h PHE 141 Ca -0.36 -0.08 -0.02 0.00 3.98 0.00 0.00 57.97 61.49 1cm4 h PHE 141 Cb 2.04 -0.20 -0.03 0.00 2.56 0.00 0.00 35.95 40.32 1cm4 h PHE 141 CO 0.03 0.65 0.37 0.28 -2.02 0.00 0.00 178.31 177.62 1cm4 h VAL 142 N 0.54 1.23 -0.08 1.41 2.07 -1.23 -2.42 116.25 117.76 1cm4 h VAL 142 Ca 0.13 -0.62 -0.17 0.00 0.82 0.00 0.00 66.70 66.86 1cm4 h VAL 142 Cb 0.30 0.30 -0.01 0.00 -1.52 0.00 0.00 31.29 30.36 1cm4 h VAL 142 CO -0.00 0.26 -0.69 -0.61 0.02 0.00 0.00 177.57 176.55 1cm4 h GLN 143 N 1.01 0.38 0.00 1.57 5.75 -1.52 -0.11 115.11 122.20 1cm4 h GLN 143 Ca 0.25 -0.30 -0.01 0.00 -0.15 0.00 0.00 58.65 58.45 1cm4 h GLN 143 Cb 0.08 0.06 -0.00 0.00 1.07 0.00 0.00 27.48 28.69 1cm4 h GLN 143 CO -0.04 0.93 -0.04 1.98 -2.65 0.00 0.00 178.83 179.02 1cm4 h MET 144 N 0.27 0.00 0.05 1.69 4.05 -0.99 -2.64 114.93 117.37 1cm4 h MET 144 Ca -0.02 0.00 -0.11 0.00 -0.28 0.00 0.00 59.70 59.29 1cm4 h MET 144 Cb 1.25 0.00 0.01 0.00 -0.80 0.00 0.00 31.60 32.07 1cm4 h MET 144 CO 0.12 0.04 -0.46 0.52 0.23 0.00 0.00 176.91 177.35 1cm4 h MET 145 N 0.00 0.22 -0.01 0.39 2.86 -1.08 -3.51 114.93 113.79 1cm4 h MET 145 Ca -0.00 -0.31 0.00 0.00 -2.06 0.00 0.00 59.70 57.33 1cm4 h MET 145 Cb 0.61 0.10 0.00 0.00 0.06 0.00 0.00 31.60 32.37 1cm4 h MET 145 CO 0.00 1.09 0.00 0.25 1.06 0.00 0.00 176.91 179.31