#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 3.43 0.21 -5.08 -4.23 -1.26 -4.84 115.64 103.87 1cm4 s THR 5 Ca 0.00 0.46 -0.09 0.00 -1.18 0.00 0.00 61.69 60.88 1cm4 s THR 5 Cb 0.00 -3.08 0.15 0.00 1.34 0.00 0.00 72.50 70.91 1cm4 s THR 5 CO 0.00 -0.61 1.82 -0.08 -0.54 0.00 0.00 174.62 175.21 1cm4 h GLU 6 N -1.04 1.06 0.00 3.99 4.81 -2.05 -1.17 114.58 120.18 1cm4 h GLU 6 Ca -0.45 -0.13 -0.09 0.00 -0.13 0.00 0.00 59.36 58.56 1cm4 h GLU 6 Cb 1.24 -0.21 -0.01 0.00 0.63 0.00 0.00 28.75 30.40 1cm4 h GLU 6 CO 0.55 0.79 -0.43 1.05 -0.73 0.00 0.00 179.01 180.24 1cm4 h GLU 7 N 1.05 0.00 -0.38 1.92 4.11 -1.98 -2.21 114.58 117.09 1cm4 h GLU 7 Ca 0.27 0.00 -0.13 0.00 0.07 0.00 0.00 59.36 59.56 1cm4 h GLU 7 Cb 0.04 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.28 1cm4 h GLU 7 CO -0.04 0.43 -0.29 1.96 0.07 0.00 0.00 179.01 181.14 1cm4 h GLN 8 N 0.00 0.83 -0.51 1.06 4.20 -1.72 0.04 115.11 119.00 1cm4 h GLN 8 Ca -0.00 -0.38 -0.04 0.00 0.06 0.00 0.00 58.65 58.28 1cm4 h GLN 8 Cb 1.09 -0.02 -0.02 0.00 0.30 0.00 0.00 27.48 28.83 1cm4 h GLN 8 CO 0.06 1.01 0.15 0.82 -0.67 0.00 0.00 178.83 180.19 1cm4 h ILE 9 N 0.70 1.24 0.00 2.54 2.04 -1.14 -1.06 117.51 121.83 1cm4 h ILE 9 Ca 0.08 -0.81 -0.09 0.00 1.00 0.00 0.00 64.86 65.04 1cm4 h ILE 9 Cb 0.84 0.79 -0.01 0.00 -0.74 0.00 0.00 36.82 37.69 1cm4 h ILE 9 CO 0.07 0.30 -0.43 0.00 0.00 0.00 0.00 178.15 178.09 1cm4 h ALA 10 N 1.01 1.25 0.00 1.87 0.00 -1.22 0.38 119.26 122.55 1cm4 h ALA 10 Ca 0.16 -0.39 -0.15 0.00 0.00 0.00 0.00 54.91 54.53 1cm4 h ALA 10 Cb 0.30 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.00 1cm4 h ALA 10 CO -0.00 0.54 -0.73 0.93 0.00 0.00 0.00 179.25 179.99 1cm4 h GLU 11 N 0.00 0.00 0.05 0.00 5.08 -0.75 -0.85 114.58 118.11 1cm4 h GLU 11 Ca -0.00 0.00 -0.23 0.00 -1.00 0.00 0.00 59.36 58.12 1cm4 h GLU 11 Cb 0.78 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.02 1cm4 h GLU 11 CO 0.06 0.73 -1.06 0.74 -1.00 0.00 0.00 179.01 178.47 1cm4 h PHE 12 N 0.00 0.27 -0.46 4.33 0.04 -1.03 -2.36 116.94 117.74 1cm4 h PHE 12 Ca -0.01 -0.19 -0.13 0.00 2.80 0.00 0.00 57.97 60.45 1cm4 h PHE 12 Cb 1.56 -0.02 -0.01 0.00 2.20 0.00 0.00 35.95 39.68 1cm4 h PHE 12 CO 0.00 1.10 -0.22 -0.22 -0.60 0.00 0.00 178.31 178.38 1cm4 h LYS 13 N 0.06 0.93 0.11 1.51 1.63 -0.92 -0.31 116.57 119.58 1cm4 h LYS 13 Ca -0.07 -0.39 -0.01 0.00 -0.85 0.00 0.00 60.65 59.33 1cm4 h LYS 13 Cb 1.78 -0.04 0.00 0.00 -0.60 0.00 0.00 32.23 33.38 1cm4 h LYS 13 CO 0.16 1.05 -0.05 1.49 -3.45 0.00 0.00 179.45 178.65 1cm4 h GLU 14 N 0.81 -0.14 -0.73 1.90 4.57 -1.15 -1.90 114.58 117.93 1cm4 h GLU 14 Ca 0.11 0.01 -0.06 0.00 -1.18 0.00 0.00 59.36 58.24 1cm4 h GLU 14 Cb 0.78 0.03 -0.03 0.00 -0.16 0.00 0.00 28.75 29.37 1cm4 h GLU 14 CO 0.06 -0.06 0.24 0.00 -1.18 0.00 0.00 179.01 178.08 1cm4 h ALA 15 N 0.71 1.04 0.02 2.92 0.00 -1.30 -2.90 119.26 119.76 1cm4 h ALA 15 Ca -0.01 -0.22 0.01 0.00 0.00 0.00 0.00 54.91 54.69 1cm4 h ALA 15 Cb 0.14 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 17.63 1cm4 h ALA 15 CO 0.02 0.65 -0.10 0.35 0.00 0.00 0.00 179.25 180.18 1cm4 h PHE 16 N 1.09 -0.25 0.00 0.00 3.57 -0.92 -2.23 116.94 118.19 1cm4 h PHE 16 Ca 0.24 0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.75 1cm4 h PHE 16 Cb 0.28 0.11 0.00 0.00 2.79 0.00 0.00 35.95 39.13 1cm4 h PHE 16 CO 0.02 -0.15 0.00 0.77 -2.23 0.00 0.00 178.31 176.72 1cm4 h SER 17 N -0.18 0.00 1.39 0.41 0.02 -1.29 -1.54 113.55 112.36 1cm4 h SER 17 Ca 0.03 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.98 1cm4 h SER 17 Cb 0.22 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.76 1cm4 h SER 17 CO -0.09 0.00 -0.21 -0.07 -1.14 0.00 0.00 176.83 175.32 1cm4 h LEU 18 N 0.00 0.00 0.00 5.07 3.38 -1.19 -3.19 115.31 119.37 1cm4 h LEU 18 Ca 0.00 -0.05 -0.28 0.00 0.09 0.00 0.00 57.88 57.64 1cm4 h LEU 18 Cb 0.32 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 41.02 1cm4 h LEU 18 CO 0.00 0.03 -1.71 0.49 0.09 0.00 0.00 178.44 177.33 1cm4 n PHE 19 N -2.39 0.94 -2.28 1.13 3.72 -0.83 -4.67 117.46 113.07 1cm4 n PHE 19 Ca 0.04 0.34 -0.43 0.00 -0.05 0.00 0.00 57.45 57.35 1cm4 n PHE 19 Cb 0.46 -1.16 0.00 0.00 -0.94 0.00 0.00 39.48 37.84 1cm4 n PHE 19 CO 0.00 0.00 0.00 -3.47 -0.05 0.00 0.00 176.76 173.24 1cm4 n ASP 20 N -3.00 4.88 -0.17 4.37 2.03 -0.64 -4.56 116.55 119.45 1cm4 n ASP 20 Ca -0.17 -3.05 -0.05 0.00 0.52 0.00 0.00 54.79 52.04 1cm4 n ASP 20 Cb 1.03 -1.52 0.01 0.00 -0.72 0.00 0.00 41.12 39.92 1cm4 n ASP 20 CO 0.00 0.00 0.00 0.11 -1.92 0.00 0.00 177.20 175.39 1cm4 h LYS 21 N 5.93 -0.15 -0.88 -0.67 1.79 -1.83 -2.55 116.57 118.21 1cm4 h LYS 21 Ca 0.42 0.01 -0.06 0.00 -2.18 0.00 0.00 60.65 58.84 1cm4 h LYS 21 Cb 0.65 0.03 -0.04 0.00 -1.58 0.00 0.00 32.23 31.30 1cm4 h LYS 21 CO 1.64 -0.10 0.08 -0.40 -1.08 0.00 0.00 179.45 179.59 1cm4 n ASP 22 N -5.43 3.01 0.00 0.86 5.75 -1.26 -5.02 116.55 114.46 1cm4 n ASP 22 Ca 0.04 -2.45 0.00 0.00 -0.01 0.00 0.00 54.79 52.37 1cm4 n ASP 22 Cb 0.34 -0.59 0.00 0.00 -1.03 0.00 0.00 41.12 39.84 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 0.13 -0.31 3.05 6.12 0.00 -0.96 -5.05 105.19 108.17 1cm4 n GLY 23 Ca 0.15 -1.08 -0.00 0.00 0.00 0.00 0.00 46.02 45.09 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 0.68 -7.45 -3.76 1.61 5.75 -1.26 -4.59 116.55 107.52 1cm4 n ASP 24 Ca 0.00 0.96 -0.20 0.00 -0.01 0.00 0.00 54.79 55.55 1cm4 n ASP 24 Cb 0.00 -1.58 -0.05 0.00 -1.03 0.00 0.00 41.12 38.46 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 2.52 0.25 2.97 6.12 0.00 -1.26 -4.66 105.19 111.13 1cm4 n GLY 25 Ca -0.00 -0.41 -0.07 0.00 0.00 0.00 0.00 46.02 45.53 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 4.75 -0.68 -0.53 2.61 -4.23 -1.25 -4.21 115.64 112.11 1cm4 s THR 26 Ca 0.30 -0.41 -0.28 0.00 -1.18 0.00 0.00 61.69 60.12 1cm4 s THR 26 Cb 0.07 -0.60 0.03 0.00 1.34 0.00 0.00 72.50 73.34 1cm4 s THR 26 CO 0.15 -0.27 1.15 -0.63 -0.54 0.00 0.00 174.62 174.48 1cm4 s ILE 27 N 2.00 4.13 0.72 2.99 1.01 -0.17 -4.80 121.20 127.08 1cm4 s ILE 27 Ca 0.14 1.03 -0.08 0.00 0.00 0.00 0.00 60.65 61.74 1cm4 s ILE 27 Cb -0.11 -4.66 0.05 0.00 0.01 0.00 0.00 42.46 37.76 1cm4 s ILE 27 CO -0.14 -1.16 1.05 0.42 0.00 0.00 0.00 174.94 175.10 1cm4 s THR 28 N 4.65 2.52 0.44 2.92 -4.23 -1.26 -2.09 115.64 118.58 1cm4 s THR 28 Ca 0.45 -0.09 0.25 0.00 -1.18 0.00 0.00 61.69 61.12 1cm4 s THR 28 Cb -0.07 -3.11 0.27 0.00 1.34 0.00 0.00 72.50 70.93 1cm4 s THR 28 CO 0.28 -0.13 2.07 0.71 -0.54 0.00 0.00 174.62 177.02 1cm4 h THR 29 N -0.66 0.69 -0.45 3.99 1.35 -1.87 -1.79 112.91 114.16 1cm4 h THR 29 Ca -0.45 -0.51 -0.13 0.00 -0.55 0.00 0.00 66.41 64.77 1cm4 h THR 29 Cb 1.31 1.31 -0.01 0.00 -1.73 0.00 0.00 68.15 69.03 1cm4 h THR 29 CO 0.62 0.12 -0.25 0.11 -0.25 0.00 0.00 175.52 175.88 1cm4 h LYS 30 N 0.00 0.93 -0.10 4.72 1.57 -1.97 0.18 116.57 121.91 1cm4 h LYS 30 Ca -0.00 -0.41 -0.22 0.00 -1.87 0.00 0.00 60.65 58.14 1cm4 h LYS 30 Cb 0.30 -0.03 0.01 0.00 0.08 0.00 0.00 32.23 32.60 1cm4 h LYS 30 CO 0.02 1.07 -0.82 0.93 -0.57 0.00 0.00 179.45 180.08 1cm4 h GLU 31 N 0.80 0.72 -0.73 3.15 5.08 -1.77 -1.81 114.58 120.02 1cm4 h GLU 31 Ca 0.10 -0.65 0.01 0.00 -1.00 0.00 0.00 59.36 57.82 1cm4 h GLU 31 Cb 0.81 0.15 -0.04 0.00 0.50 0.00 0.00 28.75 30.18 1cm4 h GLU 31 CO 0.07 1.25 0.48 -0.07 -1.00 0.00 0.00 179.01 179.74 1cm4 h LEU 32 N 0.42 0.85 -0.17 1.33 3.38 -1.31 -1.81 115.31 117.99 1cm4 h LEU 32 Ca -0.07 -0.03 -0.13 0.00 0.09 0.00 0.00 57.88 57.74 1cm4 h LEU 32 Cb 1.46 -0.21 0.00 0.00 0.09 0.00 0.00 40.66 42.00 1cm4 h LEU 32 CO 0.17 0.62 -0.39 1.23 0.09 0.00 0.00 178.44 180.16 1cm4 h GLY 33 N 1.01 0.63 0.93 0.83 0.00 -0.91 -2.91 103.07 102.64 1cm4 h GLY 33 Ca 0.27 -0.76 -0.05 0.00 0.00 0.00 0.00 47.33 46.80 1cm4 h GLY 33 CO -0.06 0.68 0.07 -0.84 0.00 0.00 0.00 176.54 176.39 1cm4 h THR 34 N 0.23 1.24 -0.11 4.70 2.02 -1.13 -1.13 112.91 118.73 1cm4 h THR 34 Ca 0.00 -0.85 -0.01 0.00 0.77 0.00 0.00 66.41 66.32 1cm4 h THR 34 Cb 0.99 1.04 -0.00 0.00 -1.74 0.00 0.00 68.15 68.44 1cm4 h THR 34 CO 0.09 0.29 0.01 0.58 0.37 0.00 0.00 175.52 176.86 1cm4 h VAL 35 N 0.49 1.23 -0.21 3.16 2.07 -1.43 -1.33 116.25 120.23 1cm4 h VAL 35 Ca 0.12 -0.73 -0.05 0.00 0.82 0.00 0.00 66.70 66.86 1cm4 h VAL 35 Cb 0.36 1.51 -0.01 0.00 -1.52 0.00 0.00 31.29 31.63 1cm4 h VAL 35 CO 0.01 0.21 -0.07 0.24 0.02 0.00 0.00 177.57 177.97 1cm4 h MET 36 N -0.07 0.33 -0.14 1.57 2.86 -1.50 -2.31 114.93 115.67 1cm4 h MET 36 Ca 0.03 -0.07 -0.15 0.00 -2.06 0.00 0.00 59.70 57.45 1cm4 h MET 36 Cb 0.31 -0.05 -0.01 0.00 0.06 0.00 0.00 31.60 31.92 1cm4 h MET 36 CO 0.00 0.42 -0.56 0.00 1.06 0.00 0.00 176.91 177.83 1cm4 h ARG 37 N 0.32 0.44 0.00 1.72 3.08 -1.09 -0.33 114.38 118.52 1cm4 h ARG 37 Ca 0.07 -0.28 -0.04 0.00 0.07 0.00 0.00 59.98 59.79 1cm4 h ARG 37 Cb 0.34 0.03 -0.01 0.00 0.08 0.00 0.00 29.97 30.41 1cm4 h ARG 37 CO 0.02 0.88 -0.20 0.66 -1.07 0.00 0.00 179.97 180.26 1cm4 h SER 38 N 0.34 0.00 -0.53 7.04 4.64 -0.71 -2.16 113.55 122.18 1cm4 h SER 38 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1cm4 h SER 38 Cb 1.08 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.17 1cm4 h SER 38 CO 0.10 0.20 0.00 0.18 -0.87 0.00 0.00 176.83 176.44 1cm4 n LEU 39 N -3.60 4.11 0.00 5.97 4.77 -0.97 -4.92 117.00 122.36 1cm4 n LEU 39 Ca -0.01 -2.07 0.00 0.00 -0.03 0.00 0.00 56.01 53.90 1cm4 n LEU 39 Cb 0.34 -0.54 0.00 0.00 -2.33 0.00 0.00 43.42 40.89 1cm4 n LEU 39 CO 0.32 0.67 0.00 0.61 -1.33 0.00 0.00 177.39 177.66 1cm4 n GLY 40 N 0.93 0.66 3.83 -0.72 0.00 -0.81 -5.06 105.19 104.01 1cm4 n GLY 40 Ca 0.21 -0.32 -0.22 0.00 0.00 0.00 0.00 46.02 45.70 1cm4 n GLY 40 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1cm4 s GLN 41 N -0.78 2.62 -0.40 1.61 1.11 -0.14 -5.02 119.66 118.66 1cm4 s GLN 41 Ca 0.00 -1.38 0.05 0.00 0.01 0.00 0.00 55.36 54.04 1cm4 s GLN 41 Cb 0.00 -2.39 0.19 0.00 -1.01 0.00 0.00 33.01 29.80 1cm4 s GLN 41 CO 0.00 0.07 0.40 0.09 0.01 0.00 0.00 175.29 175.86 1cm4 n ASN 42 N -1.34 -0.29 -4.77 5.90 3.02 -1.26 -3.46 115.26 113.06 1cm4 n ASN 42 Ca -0.02 -2.47 -0.40 0.00 -0.03 0.00 0.00 54.58 51.66 1cm4 n ASN 42 Cb 0.60 -0.58 -0.02 0.00 -0.61 0.00 0.00 39.78 39.18 1cm4 n ASN 42 CO 0.00 0.00 0.00 -2.16 -2.62 0.00 0.00 177.26 172.48 1cm4 s PRO 43 N -0.32 4.29 0.61 3.52 0.04 -1.26 -5.01 135.00 136.86 1cm4 s PRO 43 Ca 0.34 2.22 -0.10 0.00 0.04 0.00 0.00 61.00 63.49 1cm4 s PRO 43 Cb 0.08 -3.02 -0.03 0.00 0.04 0.00 0.00 34.50 31.57 1cm4 s PRO 43 CO -0.17 -0.25 1.01 0.95 0.04 0.00 0.00 177.00 178.58 1cm4 s THR 44 N -1.16 4.61 0.27 1.26 -4.23 -1.26 -4.91 115.64 110.21 1cm4 s THR 44 Ca 0.50 0.76 -0.00 0.00 -1.18 0.00 0.00 61.69 61.77 1cm4 s THR 44 Cb -0.40 -3.83 0.25 0.00 1.34 0.00 0.00 72.50 69.86 1cm4 s THR 44 CO 0.53 -1.06 1.76 -0.08 -0.54 0.00 0.00 174.62 175.22 1cm4 h GLU 45 N -0.29 0.61 -0.67 3.99 4.22 -1.99 -1.70 114.58 118.75 1cm4 h GLU 45 Ca -0.44 -0.04 -0.00 0.00 0.08 0.00 0.00 59.36 58.96 1cm4 h GLU 45 Cb 1.20 -0.14 -0.03 0.00 0.50 0.00 0.00 28.75 30.28 1cm4 h GLU 45 CO 0.62 0.40 0.41 0.00 -2.18 0.00 0.00 179.01 178.26 1cm4 h ALA 46 N 1.57 0.86 -0.00 2.92 0.00 -1.98 0.04 119.26 122.67 1cm4 h ALA 46 Ca 0.47 -0.08 -0.08 0.00 0.00 0.00 0.00 54.91 55.22 1cm4 h ALA 46 Cb 0.68 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 18.19 1cm4 h ALA 46 CO -0.37 0.33 -0.39 0.93 0.00 0.00 0.00 179.25 179.76 1cm4 h GLU 47 N 0.92 0.01 -0.12 0.00 5.08 -1.77 0.51 114.58 119.20 1cm4 h GLU 47 Ca 0.24 -0.00 -0.21 0.00 -1.00 0.00 0.00 59.36 58.39 1cm4 h GLU 47 Cb -0.03 -0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.23 1cm4 h GLU 47 CO -0.05 0.39 -0.77 -0.07 -1.00 0.00 0.00 179.01 177.52 1cm4 h LEU 48 N 0.01 0.76 -0.81 1.33 3.38 -0.81 -2.80 115.31 116.36 1cm4 h LEU 48 Ca -0.00 -0.50 -0.03 0.00 0.09 0.00 0.00 57.88 57.43 1cm4 h LEU 48 Cb 0.69 -0.22 -0.00 0.00 0.09 0.00 0.00 40.66 41.21 1cm4 h LEU 48 CO 0.05 1.28 -0.17 -0.61 0.09 0.00 0.00 178.44 179.08 1cm4 h GLN 49 N 0.43 0.00 -0.06 1.13 5.75 -0.71 -3.01 115.11 118.64 1cm4 h GLN 49 Ca -0.05 0.00 -0.16 0.00 -0.15 0.00 0.00 58.65 58.29 1cm4 h GLN 49 Cb 1.38 0.00 -0.01 0.00 1.07 0.00 0.00 27.48 29.92 1cm4 h GLN 49 CO 0.15 0.17 -0.67 -0.44 -2.65 0.00 0.00 178.83 175.39 1cm4 h ASP 50 N 0.00 0.29 1.44 -0.69 3.32 -0.69 -1.92 116.42 118.18 1cm4 h ASP 50 Ca -0.00 -0.18 0.00 0.00 0.02 0.00 0.00 57.03 56.87 1cm4 h ASP 50 Cb 0.84 -0.09 0.00 0.00 0.22 0.00 0.00 39.33 40.30 1cm4 h ASP 50 CO 0.02 0.87 0.00 -0.03 -1.72 0.00 0.00 179.24 178.39 1cm4 h MET 51 N 0.18 0.00 -0.01 3.56 4.05 -1.37 0.17 114.93 121.52 1cm4 h MET 51 Ca -0.02 0.00 -0.03 0.00 -0.28 0.00 0.00 59.70 59.37 1cm4 h MET 51 Cb 1.20 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 32.01 1cm4 h MET 51 CO 0.10 0.00 -0.13 0.82 0.23 0.00 0.00 176.91 177.94 1cm4 h ILE 52 N 0.00 1.56 0.00 1.77 1.08 -1.50 -3.28 117.51 117.13 1cm4 h ILE 52 Ca 0.00 -1.81 -0.01 0.00 -0.39 0.00 0.00 64.86 62.65 1cm4 h ILE 52 Cb 0.72 2.73 -0.00 0.00 -3.07 0.00 0.00 36.82 37.20 1cm4 h ILE 52 CO 0.00 0.49 -0.04 0.78 -0.69 0.00 0.00 178.15 178.69 1cm4 h ASN 53 N -0.59 0.00 1.15 1.72 -0.26 -0.84 0.11 115.58 116.86 1cm4 h ASN 53 Ca -0.01 0.00 -0.10 0.00 -0.56 0.00 0.00 56.30 55.62 1cm4 h ASN 53 Cb 0.86 0.00 -0.01 0.00 -1.06 0.00 0.00 38.32 38.11 1cm4 h ASN 53 CO 0.03 0.04 -0.49 -0.33 -1.06 0.00 0.00 177.43 175.61 1cm4 h GLU 54 N 0.00 0.00 0.00 0.81 5.08 -0.75 -3.40 114.58 116.32 1cm4 h GLU 54 Ca -0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1cm4 h GLU 54 Cb 0.22 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.47 1cm4 h GLU 54 CO 0.00 0.49 0.00 1.33 -1.00 0.00 0.00 179.01 179.84 1cm4 n VAL 55 N -3.38 0.00 -2.70 3.13 0.24 -0.86 -5.01 118.33 109.76 1cm4 n VAL 55 Ca 0.01 -0.18 -0.42 0.00 -2.04 0.00 0.00 64.34 61.70 1cm4 n VAL 55 Cb 0.65 1.18 -0.03 0.00 -1.47 0.00 0.00 33.84 34.17 1cm4 n VAL 55 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 1cm4 s ASP 56 N -0.27 6.56 0.13 -1.34 2.15 0.31 -4.79 116.67 119.42 1cm4 s ASP 56 Ca 0.00 -1.70 -0.19 0.00 0.43 0.00 0.00 52.55 51.09 1cm4 s ASP 56 Cb 0.00 -2.51 -0.05 0.00 -0.30 0.00 0.00 42.92 40.07 1cm4 s ASP 56 CO 0.00 -1.33 1.78 0.00 -0.17 0.00 0.00 175.17 175.45 1cm4 h ALA 57 N 9.38 0.33 0.00 3.66 0.00 -1.90 -3.18 119.26 127.55 1cm4 h ALA 57 Ca 0.19 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 55.06 1cm4 h ALA 57 Cb 1.01 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 18.69 1cm4 h ALA 57 CO 1.31 -0.20 -0.08 0.38 0.00 0.00 0.00 179.25 180.67 1cm4 h ASP 58 N 0.35 0.00 0.00 0.00 2.03 -1.95 -3.48 116.42 113.37 1cm4 h ASP 58 Ca 0.09 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.39 1cm4 h ASP 58 Cb -0.03 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 38.47 1cm4 h ASP 58 CO -0.02 0.08 0.00 0.61 -1.03 0.00 0.00 179.24 178.87 1cm4 n GLY 59 N 0.90 0.82 0.00 7.15 0.00 -1.20 -4.99 105.19 107.87 1cm4 n GLY 59 Ca 0.03 -0.64 0.12 0.00 0.00 0.00 0.00 46.02 45.53 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 1.40 0.56 0.00 1.61 6.94 -1.26 -4.97 115.26 119.54 1cm4 n ASN 60 Ca 0.00 -0.30 0.00 0.00 -0.02 0.00 0.00 54.58 54.26 1cm4 n ASN 60 Cb 0.30 0.34 0.00 0.00 -2.36 0.00 0.00 39.78 38.06 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 1.49 1.17 3.34 4.83 0.00 -1.26 -5.10 105.19 109.66 1cm4 n GLY 61 Ca 0.05 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.89 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 -2.07 1.71 -0.38 2.61 -4.23 -1.26 -4.75 115.64 107.26 1cm4 s THR 62 Ca 0.00 -2.18 -0.20 0.00 -1.18 0.00 0.00 61.69 58.13 1cm4 s THR 62 Cb 0.00 -2.01 0.01 0.00 1.34 0.00 0.00 72.50 71.84 1cm4 s THR 62 CO 0.00 -0.58 0.63 -0.63 -0.54 0.00 0.00 174.62 173.50 1cm4 s ILE 63 N -2.92 4.88 0.55 2.99 1.01 -0.89 -4.74 121.20 122.08 1cm4 s ILE 63 Ca 0.21 0.44 -0.02 0.00 0.00 0.00 0.00 60.65 61.29 1cm4 s ILE 63 Cb -0.01 -4.11 0.02 0.00 0.01 0.00 0.00 42.46 38.37 1cm4 s ILE 63 CO 0.06 -0.39 0.81 1.51 0.00 0.00 0.00 174.94 176.94 1cm4 s ASP 64 N 1.85 5.46 0.21 3.58 1.47 -1.26 -1.00 116.67 126.98 1cm4 s ASP 64 Ca 0.24 0.33 -0.10 0.00 1.18 0.00 0.00 52.55 54.20 1cm4 s ASP 64 Cb -0.14 -1.32 0.22 0.00 -0.34 0.00 0.00 42.92 41.33 1cm4 s ASP 64 CO 0.16 -1.05 1.82 0.15 0.68 0.00 0.00 175.17 176.92 1cm4 h PHE 65 N 0.01 0.71 -0.94 2.11 3.57 -1.98 -2.51 116.94 117.91 1cm4 h PHE 65 Ca -0.44 0.02 0.18 0.00 3.53 0.00 0.00 57.97 61.26 1cm4 h PHE 65 Cb 1.28 -0.22 -0.18 0.00 2.79 0.00 0.00 35.95 39.62 1cm4 h PHE 65 CO 0.42 0.36 -0.26 -1.35 -2.23 0.00 0.00 178.31 175.25 1cm4 h PRO 66 N 0.73 -0.00 -0.25 6.41 0.11 -1.96 -0.64 132.00 136.39 1cm4 h PRO 66 Ca 0.29 0.00 -0.06 0.00 0.11 0.00 0.00 66.00 66.34 1cm4 h PRO 66 Cb 0.13 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.23 1cm4 h PRO 66 CO -0.16 -0.00 -0.11 0.93 -0.21 0.00 0.00 178.00 178.45 1cm4 h GLU 67 N -0.00 0.42 -0.15 1.05 5.08 -1.76 -1.93 114.58 117.28 1cm4 h GLU 67 Ca 0.44 -0.11 -0.15 0.00 -1.00 0.00 0.00 59.36 58.54 1cm4 h GLU 67 Cb 0.68 -0.05 -0.01 0.00 0.50 0.00 0.00 28.75 29.87 1cm4 h GLU 67 CO -0.97 0.54 -0.55 0.35 -1.00 0.00 0.00 179.01 177.38 1cm4 h PHE 68 N 0.39 0.54 -0.54 4.33 3.57 -1.00 -2.27 116.94 121.96 1cm4 h PHE 68 Ca 0.08 -0.19 -0.03 0.00 3.53 0.00 0.00 57.97 61.35 1cm4 h PHE 68 Cb 0.44 -0.10 -0.02 0.00 2.79 0.00 0.00 35.95 39.05 1cm4 h PHE 68 CO 0.01 0.88 0.21 -0.07 -2.23 0.00 0.00 178.31 177.11 1cm4 h LEU 69 N 0.33 0.75 -0.60 0.59 4.07 -0.38 -2.09 115.31 117.99 1cm4 h LEU 69 Ca 0.01 -0.18 0.03 0.00 0.08 0.00 0.00 57.88 57.82 1cm4 h LEU 69 Cb 1.06 -0.20 -0.04 0.00 1.08 0.00 0.00 40.66 42.57 1cm4 h LEU 69 CO 0.10 0.73 0.35 0.74 -1.08 0.00 0.00 178.44 179.28 1cm4 h THR 70 N 0.74 1.04 0.19 0.22 2.02 -1.32 0.11 112.91 115.90 1cm4 h THR 70 Ca 0.18 -0.24 0.01 0.00 0.77 0.00 0.00 66.41 67.13 1cm4 h THR 70 Cb 0.22 0.29 -0.02 0.00 -1.74 0.00 0.00 68.15 66.90 1cm4 h THR 70 CO -0.01 0.13 -0.21 -0.03 0.37 0.00 0.00 175.52 175.76 1cm4 h MET 71 N 0.69 -0.43 0.00 6.66 1.85 -1.32 -3.12 114.93 119.26 1cm4 h MET 71 Ca 0.25 0.03 -0.09 0.00 -0.61 0.00 0.00 59.70 59.27 1cm4 h MET 71 Cb 0.06 0.10 -0.01 0.00 0.43 0.00 0.00 31.60 32.17 1cm4 h MET 71 CO -0.12 -0.29 -0.43 0.52 -0.40 0.00 0.00 176.91 176.19 1cm4 h MET 72 N -0.44 0.00 -0.78 0.39 2.07 -1.07 -3.23 114.93 111.86 1cm4 h MET 72 Ca 0.00 0.00 -0.05 0.00 -2.07 0.00 0.00 59.70 57.59 1cm4 h MET 72 Cb 0.43 0.00 -0.03 0.00 -1.87 0.00 0.00 31.60 30.12 1cm4 h MET 72 CO -0.06 0.43 0.30 0.00 1.07 0.00 0.00 176.91 178.65 1cm4 h ALA 73 N 1.57 1.02 -2.90 6.32 0.00 -0.73 -2.89 119.26 121.64 1cm4 h ALA 73 Ca -0.00 -0.20 -0.73 0.00 0.00 0.00 0.00 54.91 53.97 1cm4 h ALA 73 Cb 0.88 -0.31 -0.33 0.00 0.00 0.00 0.00 17.79 18.04 1cm4 h ALA 73 CO 0.06 0.66 -0.06 1.03 0.00 0.00 0.00 179.25 180.93 1cm4 s ARG 74 N -5.52 3.26 -0.57 0.00 0.52 -1.22 -5.02 118.95 110.38 1cm4 s ARG 74 Ca -0.12 -2.92 -0.42 0.00 -0.52 0.00 0.00 55.73 51.75 1cm4 s ARG 74 Cb 0.15 -4.06 -0.19 0.00 0.52 0.00 0.00 34.95 31.38 1cm4 s ARG 74 CO 0.84 -1.24 2.23 1.63 0.02 0.00 0.00 175.30 178.78 1cm4 n LYS 75 N 3.00 0.03 -2.14 3.54 4.76 -1.09 -4.83 118.16 121.42 1cm4 n LYS 75 Ca 0.17 0.01 -0.30 0.00 -2.87 0.00 0.00 58.31 55.31 1cm4 n LYS 75 Cb 0.39 -1.53 -0.05 0.00 -1.84 0.00 0.00 35.03 32.01 1cm4 n LYS 75 CO 0.00 0.00 0.00 1.41 -1.37 0.00 0.00 177.40 177.44 1cm4 s MET 76 N 6.48 2.73 0.00 1.97 -2.45 -1.25 -4.90 119.30 121.88 1cm4 s MET 76 Ca 1.22 -0.87 0.00 0.00 -1.25 0.00 0.00 55.69 54.79 1cm4 s MET 76 Cb -1.45 -5.20 0.00 0.00 1.25 0.00 0.00 34.83 29.43 1cm4 s MET 76 CO 0.63 -3.45 0.00 1.63 1.05 0.00 0.00 175.02 174.88 1cm4 n LYS 77 N 8.58 2.98 -2.05 4.11 4.76 -1.26 -4.97 118.16 130.30 1cm4 n LYS 77 Ca 0.42 0.00 -0.41 0.00 -2.87 0.00 0.00 58.31 55.45 1cm4 n LYS 77 Cb 0.47 0.00 -0.03 0.00 -1.84 0.00 0.00 35.03 33.63 1cm4 n LYS 77 CO 0.00 0.00 0.00 0.16 -1.37 0.00 0.00 177.40 176.19 1cm4 s ASP 78 N -1.00 5.70 0.05 4.39 -4.77 -1.26 -4.81 116.67 114.97 1cm4 s ASP 78 Ca 0.00 0.89 -0.02 0.00 -3.30 0.00 0.00 52.55 50.12 1cm4 s ASP 78 Cb 0.00 -2.53 -0.01 0.00 -1.09 0.00 0.00 42.92 39.29 1cm4 s ASP 78 CO 0.00 -1.93 -0.04 0.35 0.70 0.00 0.00 175.17 174.25 1cm4 n THR 79 N 7.31 0.98 0.00 2.11 -2.24 -1.26 -4.86 114.28 116.31 1cm4 n THR 79 Ca 0.21 0.30 0.00 0.00 -2.27 0.00 0.00 64.05 62.29 1cm4 n THR 79 Cb 0.49 -1.55 0.00 0.00 -2.10 0.00 0.00 70.33 67.17 1cm4 n THR 79 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 1cm4 n ASP 80 N -3.37 3.31 0.17 3.42 9.92 -1.26 -4.75 116.55 123.99 1cm4 n ASP 80 Ca -0.02 0.00 0.08 0.00 -0.53 0.00 0.00 54.79 54.33 1cm4 n ASP 80 Cb 0.06 0.07 0.09 0.00 -0.64 0.00 0.00 41.12 40.70 1cm4 n ASP 80 CO 0.00 0.00 0.00 0.28 0.13 0.00 0.00 177.20 177.61 1cm4 h SER 81 N 0.00 0.00 0.00 -2.24 0.02 -1.94 -3.48 113.55 105.91 1cm4 h SER 81 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1cm4 h SER 81 Cb 0.79 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.33 1cm4 h SER 81 CO 0.00 0.19 0.00 1.21 -1.14 0.00 0.00 176.83 177.09 1cm4 n GLU 82 N -3.08 0.00 -2.17 3.45 2.13 -1.26 -4.62 120.64 115.08 1cm4 n GLU 82 Ca 0.02 0.00 -0.42 0.00 0.66 0.00 0.00 57.16 57.42 1cm4 n GLU 82 Cb 0.61 0.00 -0.01 0.00 0.27 0.00 0.00 31.44 32.32 1cm4 n GLU 82 CO 0.00 0.00 0.00 -1.91 -0.41 0.00 0.00 177.13 174.81 1cm4 n GLU 83 N 0.00 2.88 0.07 5.31 2.13 -1.26 -4.40 120.64 125.37 1cm4 n GLU 83 Ca 0.00 -2.91 -0.15 0.00 0.66 0.00 0.00 57.16 54.76 1cm4 n GLU 83 Cb 0.00 -3.41 -0.06 0.00 0.27 0.00 0.00 31.44 28.23 1cm4 n GLU 83 CO 0.00 0.00 0.00 0.93 -0.41 0.00 0.00 177.13 177.65 1cm4 h GLU 84 N 7.18 0.45 0.41 5.31 5.08 -1.97 -2.61 114.58 128.42 1cm4 h GLU 84 Ca 0.48 -0.50 -0.02 0.00 -1.00 0.00 0.00 59.36 58.31 1cm4 h GLU 84 Cb 0.78 0.15 0.00 0.00 0.50 0.00 0.00 28.75 30.19 1cm4 h GLU 84 CO 1.62 1.16 -0.20 0.82 -1.00 0.00 0.00 179.01 181.41 1cm4 h ILE 85 N 0.24 0.45 -0.05 3.13 2.04 -1.98 -1.51 117.51 119.83 1cm4 h ILE 85 Ca -0.10 -0.57 -0.05 0.00 1.00 0.00 0.00 64.86 65.14 1cm4 h ILE 85 Cb 1.64 0.67 -0.01 0.00 -0.74 0.00 0.00 36.82 38.38 1cm4 h ILE 85 CO 0.18 0.08 -0.21 -0.09 0.00 0.00 0.00 178.15 178.11 1cm4 h ARG 86 N -0.94 0.08 -0.02 2.37 9.65 -1.98 0.15 114.38 123.69 1cm4 h ARG 86 Ca -0.06 -0.02 -0.13 0.00 -1.10 0.00 0.00 59.98 58.67 1cm4 h ARG 86 Cb 0.55 -0.01 -0.02 0.00 -1.39 0.00 0.00 29.97 29.11 1cm4 h ARG 86 CO 0.09 0.29 -0.61 0.93 2.80 0.00 0.00 179.97 183.47 1cm4 h GLU 87 N 0.07 0.06 0.00 0.20 5.08 -1.48 0.34 114.58 118.85 1cm4 h GLU 87 Ca 0.01 -0.04 -0.10 0.00 -1.00 0.00 0.00 59.36 58.23 1cm4 h GLU 87 Cb 0.42 0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.66 1cm4 h GLU 87 CO 0.03 0.65 -0.46 0.00 -1.00 0.00 0.00 179.01 178.23 1cm4 h ALA 88 N 1.34 0.70 -0.05 3.43 0.00 -0.62 -2.57 119.26 121.49 1cm4 h ALA 88 Ca -0.01 -0.42 -0.19 0.00 0.00 0.00 0.00 54.91 54.29 1cm4 h ALA 88 Cb 1.09 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.80 1cm4 h ALA 88 CO 0.08 0.58 -0.77 0.35 0.00 0.00 0.00 179.25 179.49 1cm4 h PHE 89 N 0.00 0.48 -0.28 0.00 3.57 -0.52 -2.77 116.94 117.43 1cm4 h PHE 89 Ca -0.00 -0.23 -0.06 0.00 3.53 0.00 0.00 57.97 61.21 1cm4 h PHE 89 Cb 1.35 -0.07 -0.02 0.00 2.79 0.00 0.00 35.95 40.00 1cm4 h PHE 89 CO 0.00 0.99 -0.10 -0.09 -2.23 0.00 0.00 178.31 176.88 1cm4 h ARG 90 N 0.23 0.46 -0.13 1.11 9.65 -0.84 0.15 114.38 125.00 1cm4 h ARG 90 Ca -0.04 -0.12 -0.01 0.00 -1.10 0.00 0.00 59.98 58.71 1cm4 h ARG 90 Cb 1.36 -0.05 -0.01 0.00 -1.39 0.00 0.00 29.97 29.88 1cm4 h ARG 90 CO 0.13 0.56 0.04 0.28 2.80 0.00 0.00 179.97 183.78 1cm4 h VAL 91 N 0.43 1.19 0.00 0.20 2.07 -1.30 -3.26 116.25 115.58 1cm4 h VAL 91 Ca 0.08 -0.59 -0.13 0.00 0.82 0.00 0.00 66.70 66.88 1cm4 h VAL 91 Cb 0.44 1.34 -0.02 0.00 -1.52 0.00 0.00 31.29 31.53 1cm4 h VAL 91 CO 0.02 0.18 -0.60 -0.26 0.02 0.00 0.00 177.57 176.93 1cm4 h PHE 92 N 0.02 0.00 -3.27 1.57 -1.00 -1.18 -3.36 116.94 109.72 1cm4 h PHE 92 Ca 0.04 0.00 -0.78 0.00 2.81 0.00 0.00 57.97 60.04 1cm4 h PHE 92 Cb 0.24 0.00 -0.30 0.00 3.61 0.00 0.00 35.95 39.50 1cm4 h PHE 92 CO 0.00 0.60 0.42 -3.47 -1.61 0.00 0.00 178.31 174.26 1cm4 n ASP 93 N -3.53 5.50 0.03 2.17 2.03 0.01 -4.68 116.55 118.07 1cm4 n ASP 93 Ca -0.00 -3.18 0.03 0.00 0.52 0.00 0.00 54.79 52.15 1cm4 n ASP 93 Cb 0.67 -1.26 0.39 0.00 -0.72 0.00 0.00 41.12 40.20 1cm4 n ASP 93 CO 0.00 0.00 0.00 0.11 -1.92 0.00 0.00 177.20 175.39 1cm4 h LYS 94 N 6.06 0.45 -0.01 -0.67 1.57 -1.72 -1.67 116.57 120.59 1cm4 h LYS 94 Ca 0.18 -0.06 0.00 0.00 -1.87 0.00 0.00 60.65 58.90 1cm4 h LYS 94 Cb 0.77 -0.08 0.00 0.00 0.08 0.00 0.00 32.23 33.00 1cm4 h LYS 94 CO 1.08 0.40 -0.16 -0.40 -0.57 0.00 0.00 179.45 179.80 1cm4 n ASP 95 N -4.38 1.13 -1.18 0.86 5.68 -1.26 -4.96 116.55 112.43 1cm4 n ASP 95 Ca 0.02 -1.06 -0.15 0.00 -0.50 0.00 0.00 54.79 53.10 1cm4 n ASP 95 Cb 0.16 0.08 -0.06 0.00 -1.14 0.00 0.00 41.12 40.15 1cm4 n ASP 95 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1cm4 n GLY 96 N 1.28 1.43 0.75 6.12 0.00 -0.63 -4.89 105.19 109.25 1cm4 n GLY 96 Ca 0.15 -0.31 0.01 0.00 0.00 0.00 0.00 46.02 45.86 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 -0.44 1.87 0.00 1.61 6.94 -1.26 -4.86 115.26 119.13 1cm4 n ASN 97 Ca -0.15 -2.17 0.00 0.00 -0.02 0.00 0.00 54.58 52.24 1cm4 n ASN 97 Cb 0.50 -0.52 0.00 0.00 -2.36 0.00 0.00 39.78 37.40 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 0.14 1.51 3.34 4.83 0.00 -1.26 -5.02 105.19 108.72 1cm4 n GLY 98 Ca 0.05 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.90 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 -3.53 1.59 -0.15 1.61 1.51 -1.26 -3.95 117.35 113.17 1cm4 s TYR 99 Ca 0.00 -0.84 0.01 0.00 -1.01 0.00 0.00 57.07 55.23 1cm4 s TYR 99 Cb 0.00 -0.90 0.02 0.00 -0.11 0.00 0.00 41.96 40.97 1cm4 s TYR 99 CO 0.00 0.06 -0.19 0.42 -1.11 0.00 0.00 175.55 174.73 1cm4 s ILE 100 N -3.31 1.88 0.37 2.71 1.01 0.63 -4.64 121.20 119.85 1cm4 s ILE 100 Ca 0.26 -0.85 0.05 0.00 0.00 0.00 0.00 60.65 60.11 1cm4 s ILE 100 Cb 0.05 -1.70 -0.01 0.00 0.01 0.00 0.00 42.46 40.81 1cm4 s ILE 100 CO 0.08 0.51 0.53 -0.94 0.00 0.00 0.00 174.94 175.12 1cm4 s SER 101 N 1.13 5.94 0.42 3.58 1.04 -1.26 -1.88 113.70 122.66 1cm4 s SER 101 Ca -0.01 -0.03 0.09 0.00 0.48 0.00 0.00 55.95 56.48 1cm4 s SER 101 Cb -0.14 -1.35 0.90 0.00 0.10 0.00 0.00 66.02 65.53 1cm4 s SER 101 CO -0.07 -0.50 2.04 0.00 0.98 0.00 0.00 173.24 175.68 1cm4 h ALA 102 N 0.75 1.70 -0.79 5.32 0.00 -1.93 -0.95 119.26 123.36 1cm4 h ALA 102 Ca -0.46 -0.07 -0.02 0.00 0.00 0.00 0.00 54.91 54.36 1cm4 h ALA 102 Cb 1.25 -0.12 -0.04 0.00 0.00 0.00 0.00 17.79 18.89 1cm4 h ALA 102 CO 0.54 0.25 0.42 0.00 0.00 0.00 0.00 179.25 180.47 1cm4 h ALA 103 N 1.75 1.01 0.06 0.00 0.00 -1.98 -1.44 119.26 118.67 1cm4 h ALA 103 Ca 0.10 -0.13 -0.26 0.00 0.00 0.00 0.00 54.91 54.62 1cm4 h ALA 103 Cb 0.06 -0.31 0.01 0.00 0.00 0.00 0.00 17.79 17.54 1cm4 h ALA 103 CO -0.01 0.54 -1.09 0.93 0.00 0.00 0.00 179.25 179.61 1cm4 h GLU 104 N 1.10 0.48 -0.41 0.00 5.08 -1.76 -2.68 114.58 116.39 1cm4 h GLU 104 Ca 0.28 -0.59 -0.00 0.00 -1.00 0.00 0.00 59.36 58.05 1cm4 h GLU 104 Cb 0.05 0.19 -0.02 0.00 0.50 0.00 0.00 28.75 29.47 1cm4 h GLU 104 CO -0.04 1.23 0.25 1.25 -1.00 0.00 0.00 179.01 180.69 1cm4 h LEU 105 N 0.23 0.49 -0.85 1.33 5.85 -1.04 0.02 115.31 121.34 1cm4 h LEU 105 Ca -0.13 -0.05 0.03 0.00 0.84 0.00 0.00 57.88 58.57 1cm4 h LEU 105 Cb 1.76 -0.12 -0.05 0.00 0.37 0.00 0.00 40.66 42.61 1cm4 h LEU 105 CO 0.20 0.40 0.56 -0.09 -0.34 0.00 0.00 178.44 179.16 1cm4 h ARG 106 N 0.54 1.06 -0.92 1.25 1.12 -1.34 -0.98 114.38 115.11 1cm4 h ARG 106 Ca 0.15 -0.06 -0.00 0.00 -1.11 0.00 0.00 59.98 58.95 1cm4 h ARG 106 Cb -0.00 -0.24 -0.04 0.00 -0.01 0.00 0.00 29.97 29.67 1cm4 h ARG 106 CO -0.03 0.70 0.57 0.45 -3.11 0.00 0.00 179.97 178.56 1cm4 h HIS 107 N 1.10 1.20 -0.62 2.20 3.86 -0.96 -1.62 115.15 120.30 1cm4 h HIS 107 Ca 0.33 0.01 -0.04 0.00 -1.16 0.00 0.00 60.37 59.50 1cm4 h HIS 107 Cb -0.03 -0.40 -0.03 0.00 1.06 0.00 0.00 27.41 28.01 1cm4 h HIS 107 CO -0.02 0.79 0.22 0.28 0.86 0.00 0.00 177.93 180.06 1cm4 h VAL 108 N 1.27 1.24 -0.06 2.45 2.07 0.15 -2.31 116.25 121.07 1cm4 h VAL 108 Ca 0.33 -0.79 -0.15 0.00 0.82 0.00 0.00 66.70 66.91 1cm4 h VAL 108 Cb -0.08 0.58 -0.01 0.00 -1.52 0.00 0.00 31.29 30.26 1cm4 h VAL 108 CO -0.07 0.31 -0.63 0.24 0.02 0.00 0.00 177.57 177.44 1cm4 h MET 109 N 0.88 0.21 -0.26 1.57 2.86 -1.01 -1.89 114.93 117.29 1cm4 h MET 109 Ca 0.20 -0.15 -0.16 0.00 -2.06 0.00 0.00 59.70 57.53 1cm4 h MET 109 Cb 0.25 0.03 -0.01 0.00 0.06 0.00 0.00 31.60 31.93 1cm4 h MET 109 CO -0.01 0.77 -0.48 1.15 1.06 0.00 0.00 176.91 179.41 1cm4 h THR 110 N 0.16 1.30 -0.04 2.22 2.02 -1.11 0.14 112.91 117.59 1cm4 h THR 110 Ca -0.01 -1.67 -0.09 0.00 0.77 0.00 0.00 66.41 65.41 1cm4 h THR 110 Cb 1.14 1.60 -0.01 0.00 -1.74 0.00 0.00 68.15 69.14 1cm4 h THR 110 CO 0.10 0.54 -0.38 -1.13 0.37 0.00 0.00 175.52 175.01 1cm4 h ASN 111 N 0.56 0.08 0.24 4.18 -1.24 -1.31 -0.93 115.58 117.16 1cm4 h ASN 111 Ca 0.03 -0.03 0.00 0.00 0.71 0.00 0.00 56.30 57.01 1cm4 h ASN 111 Cb 1.03 -0.02 0.00 0.00 0.73 0.00 0.00 38.32 40.06 1cm4 h ASN 111 CO 0.10 0.46 -0.03 0.18 -1.29 0.00 0.00 177.43 176.85 1cm4 n LEU 112 N -4.07 0.27 0.00 0.34 4.77 -0.72 -4.95 117.00 112.64 1cm4 n LEU 112 Ca -0.02 0.03 0.00 0.00 -0.03 0.00 0.00 56.01 55.99 1cm4 n LEU 112 Cb 0.43 -0.12 0.00 0.00 -2.33 0.00 0.00 43.42 41.40 1cm4 n LEU 112 CO 0.40 0.05 0.00 0.61 -1.33 0.00 0.00 177.39 177.11 1cm4 n GLY 113 N 1.16 3.20 3.53 -0.72 0.00 -0.16 -5.04 105.19 107.16 1cm4 n GLY 113 Ca 0.19 -0.89 -0.37 0.00 0.00 0.00 0.00 46.02 44.94 1cm4 n GLY 113 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1cm4 n GLU 114 N 0.00 0.69 -2.92 1.61 1.02 0.33 -4.67 120.64 116.70 1cm4 n GLU 114 Ca 0.00 -0.02 -0.44 0.00 -0.02 0.00 0.00 57.16 56.68 1cm4 n GLU 114 Cb 0.00 -2.82 -0.01 0.00 -0.02 0.00 0.00 31.44 28.58 1cm4 n GLU 114 CO 0.00 0.00 0.00 0.15 1.18 0.00 0.00 177.13 178.46 1cm4 s LYS 115 N 8.52 3.83 0.42 3.49 1.02 -1.26 -3.07 119.74 132.69 1cm4 s LYS 115 Ca 1.10 -2.13 -0.00 0.00 0.02 0.00 0.00 55.97 54.96 1cm4 s LYS 115 Cb -0.52 -5.00 -0.02 0.00 -0.52 0.00 0.00 37.83 31.77 1cm4 s LYS 115 CO 0.33 -1.79 0.64 -0.51 -0.92 0.00 0.00 175.35 173.11 1cm4 s LEU 116 N 2.24 3.77 0.57 3.17 1.43 -1.26 -5.09 118.68 123.52 1cm4 s LEU 116 Ca 0.38 0.41 -0.19 0.00 -1.03 0.00 0.00 54.13 53.70 1cm4 s LEU 116 Cb -0.04 -3.29 -0.04 0.00 0.03 0.00 0.00 46.19 42.85 1cm4 s LEU 116 CO -0.05 -0.55 1.19 -0.89 0.23 0.00 0.00 176.35 176.28 1cm4 s THR 117 N -2.49 2.78 0.47 5.49 2.01 -1.26 -4.85 115.64 117.78 1cm4 s THR 117 Ca 0.45 0.49 0.13 0.00 0.31 0.00 0.00 61.69 63.07 1cm4 s THR 117 Cb -0.10 -3.20 0.24 0.00 0.01 0.00 0.00 72.50 69.45 1cm4 s THR 117 CO 0.38 -0.10 2.07 0.44 -0.69 0.00 0.00 174.62 176.73 1cm4 h ASP 118 N 1.02 0.13 -0.24 3.53 3.32 -1.98 -0.56 116.42 121.65 1cm4 h ASP 118 Ca -0.50 -0.01 -0.07 0.00 0.02 0.00 0.00 57.03 56.47 1cm4 h ASP 118 Cb 1.29 -0.03 -0.01 0.00 0.22 0.00 0.00 39.33 40.80 1cm4 h ASP 118 CO 0.56 0.15 -0.11 -0.08 -1.72 0.00 0.00 179.24 178.04 1cm4 h GLU 119 N 0.15 0.51 -0.59 3.56 4.57 -1.98 -0.92 114.58 119.88 1cm4 h GLU 119 Ca 0.04 -0.22 -0.05 0.00 -1.18 0.00 0.00 59.36 57.95 1cm4 h GLU 119 Cb 0.08 -0.02 -0.02 0.00 -0.16 0.00 0.00 28.75 28.63 1cm4 h GLU 119 CO -0.00 0.76 0.17 0.93 -1.18 0.00 0.00 179.01 179.69 1cm4 h GLU 120 N 0.23 0.93 -0.19 1.92 5.08 -1.64 -0.27 114.58 120.64 1cm4 h GLU 120 Ca 0.06 -0.21 -0.12 0.00 -1.00 0.00 0.00 59.36 58.09 1cm4 h GLU 120 Cb 0.61 -0.13 -0.01 0.00 0.50 0.00 0.00 28.75 29.72 1cm4 h GLU 120 CO 0.03 0.84 -0.38 0.28 -1.00 0.00 0.00 179.01 178.79 1cm4 h VAL 121 N 0.84 1.30 -0.61 3.13 2.07 -1.20 -1.82 116.25 119.96 1cm4 h VAL 121 Ca 0.19 -1.50 -0.06 0.00 0.82 0.00 0.00 66.70 66.15 1cm4 h VAL 121 Cb 0.31 1.57 -0.03 0.00 -1.52 0.00 0.00 31.29 31.63 1cm4 h VAL 121 CO -0.00 0.46 0.17 -0.78 0.02 0.00 0.00 177.57 177.44 1cm4 h ASP 122 N 0.35 0.91 -0.16 0.57 3.58 -0.78 -2.52 116.42 118.38 1cm4 h ASP 122 Ca 0.04 -0.22 -0.10 0.00 0.42 0.00 0.00 57.03 57.16 1cm4 h ASP 122 Cb 0.83 -0.24 -0.01 0.00 1.72 0.00 0.00 39.33 41.62 1cm4 h ASP 122 CO 0.07 0.90 -0.23 -0.33 -2.88 0.00 0.00 179.24 176.77 1cm4 h GLU 123 N 0.89 0.60 0.06 0.28 5.08 -0.70 -1.26 114.58 119.53 1cm4 h GLU 123 Ca 0.20 -0.23 -0.00 0.00 -1.00 0.00 0.00 59.36 58.32 1cm4 h GLU 123 Cb 0.33 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 29.54 1cm4 h GLU 123 CO -0.00 0.78 -0.03 0.52 -1.00 0.00 0.00 179.01 179.28 1cm4 h MET 124 N 0.53 -0.08 -0.70 2.33 2.86 -1.18 -1.97 114.93 116.72 1cm4 h MET 124 Ca 0.08 0.01 0.09 0.00 -2.06 0.00 0.00 59.70 57.82 1cm4 h MET 124 Cb 0.68 0.02 -0.07 0.00 0.06 0.00 0.00 31.60 32.29 1cm4 h MET 124 CO 0.05 0.33 0.34 0.82 1.06 0.00 0.00 176.91 179.51 1cm4 h ILE 125 N -0.51 0.84 -0.08 -1.22 1.08 -1.43 -1.85 117.51 114.33 1cm4 h ILE 125 Ca -0.01 -0.20 -0.01 0.00 -0.39 0.00 0.00 64.86 64.25 1cm4 h ILE 125 Cb 0.45 0.21 -0.00 0.00 -3.07 0.00 0.00 36.82 34.40 1cm4 h ILE 125 CO 0.01 0.11 0.01 0.03 -0.69 0.00 0.00 178.15 177.62 1cm4 h ARG 126 N 0.58 0.11 0.14 2.37 3.08 -1.10 0.27 114.38 119.82 1cm4 h ARG 126 Ca 0.35 -0.01 -0.28 0.00 0.07 0.00 0.00 59.98 60.11 1cm4 h ARG 126 Cb 0.37 -0.02 0.01 0.00 0.08 0.00 0.00 29.97 30.41 1cm4 h ARG 126 CO -0.27 0.11 -1.26 1.49 -1.07 0.00 0.00 179.97 178.97 1cm4 h GLU 127 N 0.11 0.30 0.00 0.04 4.22 -0.60 -3.34 114.58 115.31 1cm4 h GLU 127 Ca 0.03 -0.51 -0.18 0.00 0.08 0.00 0.00 59.36 58.78 1cm4 h GLU 127 Cb 0.06 0.19 -0.03 0.00 0.50 0.00 0.00 28.75 29.47 1cm4 h GLU 127 CO -0.00 1.24 -0.86 0.00 -2.18 0.00 0.00 179.01 177.21 1cm4 h ALA 128 N 0.54 0.49 -1.58 2.92 0.00 -0.72 -3.44 119.26 117.48 1cm4 h ALA 128 Ca -0.14 -0.78 -0.55 0.00 0.00 0.00 0.00 54.91 53.43 1cm4 h ALA 128 Cb 1.98 -0.14 -0.06 0.00 0.00 0.00 0.00 17.79 19.57 1cm4 h ALA 128 CO 0.21 1.08 1.06 0.34 0.00 0.00 0.00 179.25 181.94 1cm4 s ASP 129 N -6.68 6.23 -0.08 0.00 2.15 0.02 -4.80 116.67 113.52 1cm4 s ASP 129 Ca 0.01 0.22 -0.21 0.00 0.43 0.00 0.00 52.55 52.99 1cm4 s ASP 129 Cb 0.10 -2.55 -0.17 0.00 -0.30 0.00 0.00 42.92 40.00 1cm4 s ASP 129 CO 0.80 -1.64 0.78 0.40 -0.17 0.00 0.00 175.17 175.34 1cm4 h ILE 130 N 6.30 1.08 -0.00 4.11 2.04 -1.86 -3.35 117.51 125.83 1cm4 h ILE 130 Ca -0.26 -1.47 0.00 0.00 1.00 0.00 0.00 64.86 64.13 1cm4 h ILE 130 Cb 1.08 1.91 0.00 0.00 -0.74 0.00 0.00 36.82 39.07 1cm4 h ILE 130 CO 1.18 0.32 -0.09 -0.90 0.00 0.00 0.00 178.15 178.66 1cm4 n ASP 131 N -4.81 0.10 0.00 1.72 5.68 -1.26 -4.95 116.55 113.04 1cm4 n ASP 131 Ca -0.08 0.30 0.00 0.00 -0.50 0.00 0.00 54.79 54.51 1cm4 n ASP 131 Cb 0.29 -0.34 0.00 0.00 -1.14 0.00 0.00 41.12 39.93 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 1.48 0.58 0.02 6.12 0.00 -1.26 -4.95 105.19 107.19 1cm4 n GLY 132 Ca 0.07 -0.58 0.01 0.00 0.00 0.00 0.00 46.02 45.53 1cm4 n GLY 132 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1cm4 n ASP 133 N 1.05 0.05 0.00 1.61 5.68 -1.26 -4.85 116.55 118.82 1cm4 n ASP 133 Ca 0.00 -1.96 0.00 0.00 -0.50 0.00 0.00 54.79 52.33 1cm4 n ASP 133 Cb 0.00 -0.01 0.00 0.00 -1.14 0.00 0.00 41.12 39.97 1cm4 n ASP 133 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1cm4 n GLY 134 N 0.53 0.67 3.16 6.12 0.00 -1.26 -5.03 105.19 109.39 1cm4 n GLY 134 Ca 0.01 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.95 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 -0.13 0.84 -0.28 1.61 -0.21 -1.26 -4.66 119.66 115.57 1cm4 s GLN 135 Ca 0.00 -1.27 -0.06 0.00 0.02 0.00 0.00 55.36 54.05 1cm4 s GLN 135 Cb 0.00 0.26 0.01 0.00 1.00 0.00 0.00 33.01 34.28 1cm4 s GLN 135 CO 0.00 -0.23 0.05 0.08 -2.12 0.00 0.00 175.29 173.07 1cm4 s VAL 136 N -3.97 3.81 0.26 1.09 1.01 -0.79 -4.72 120.40 117.09 1cm4 s VAL 136 Ca 0.15 -0.66 -0.02 0.00 0.00 0.00 0.00 61.98 61.45 1cm4 s VAL 136 Cb 0.07 -2.92 0.05 0.00 0.00 0.00 0.00 36.38 33.58 1cm4 s VAL 136 CO -0.04 0.15 0.35 -0.46 0.00 0.00 0.00 175.10 175.11 1cm4 n ASN 137 N 4.84 0.29 -0.00 3.32 6.94 -1.26 -0.27 115.26 129.12 1cm4 n ASN 137 Ca -0.15 -1.29 -0.12 0.00 -0.02 0.00 0.00 54.58 53.00 1cm4 n ASN 137 Cb 0.48 -0.24 -0.07 0.00 -2.36 0.00 0.00 39.78 37.59 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 -0.73 0.10 -0.89 -2.53 3.20 -1.98 -2.57 116.97 111.58 1cm4 h TYR 138 Ca -0.11 -0.01 -0.02 0.00 3.14 0.00 0.00 58.73 61.72 1cm4 h TYR 138 Cb 0.38 -0.03 -0.04 0.00 1.54 0.00 0.00 36.73 38.58 1cm4 h TYR 138 CO 0.00 0.24 0.46 0.93 -1.64 0.00 0.00 178.16 178.16 1cm4 h GLU 139 N -0.08 1.25 -0.56 1.82 3.07 -1.95 -2.19 114.58 115.94 1cm4 h GLU 139 Ca 0.02 -0.16 -0.04 0.00 -0.50 0.00 0.00 59.36 58.68 1cm4 h GLU 139 Cb 0.19 -0.24 -0.02 0.00 -0.84 0.00 0.00 28.75 27.84 1cm4 h GLU 139 CO -0.00 0.93 0.18 0.93 -1.40 0.00 0.00 179.01 179.65 1cm4 h GLU 140 N 1.25 0.87 -0.70 2.33 5.08 -1.92 -2.80 114.58 118.69 1cm4 h GLU 140 Ca 0.31 -0.19 0.03 0.00 -1.00 0.00 0.00 59.36 58.51 1cm4 h GLU 140 Cb 0.06 -0.13 -0.04 0.00 0.50 0.00 0.00 28.75 29.14 1cm4 h GLU 140 CO -0.05 0.79 0.45 0.35 -1.00 0.00 0.00 179.01 179.55 1cm4 h PHE 141 N 0.78 0.84 -0.22 4.33 3.57 -1.00 -1.51 116.94 123.72 1cm4 h PHE 141 Ca 0.18 0.02 -0.01 0.00 3.53 0.00 0.00 57.97 61.69 1cm4 h PHE 141 Cb 0.28 -0.28 -0.01 0.00 2.79 0.00 0.00 35.95 38.73 1cm4 h PHE 141 CO 0.02 0.49 0.10 0.28 -2.23 0.00 0.00 178.31 176.97 1cm4 h VAL 142 N 0.88 1.14 -0.07 1.41 2.07 -1.34 -2.46 116.25 117.88 1cm4 h VAL 142 Ca 0.28 -0.40 -0.01 0.00 0.82 0.00 0.00 66.70 67.38 1cm4 h VAL 142 Cb -0.00 1.01 -0.00 0.00 -1.52 0.00 0.00 31.29 30.77 1cm4 h VAL 142 CO -0.10 0.14 -0.01 1.56 0.02 0.00 0.00 177.57 179.17 1cm4 h GLN 143 N 0.22 0.10 -0.46 1.57 7.50 -1.21 -1.00 115.11 121.83 1cm4 h GLN 143 Ca 0.07 -0.01 -0.12 0.00 0.50 0.00 0.00 58.65 59.09 1cm4 h GLN 143 Cb 0.12 -0.02 -0.01 0.00 0.05 0.00 0.00 27.48 27.62 1cm4 h GLN 143 CO -0.01 0.12 -0.20 1.98 -1.50 0.00 0.00 178.83 179.22 1cm4 h MET 144 N 0.10 0.92 0.00 1.46 4.05 -0.90 -2.79 114.93 117.76 1cm4 h MET 144 Ca 0.02 -0.37 0.00 0.00 -0.28 0.00 0.00 59.70 59.07 1cm4 h MET 144 Cb 0.09 -0.04 0.00 0.00 -0.80 0.00 0.00 31.60 30.85 1cm4 h MET 144 CO 0.00 1.03 0.00 -1.33 0.23 0.00 0.00 176.91 176.84 1cm4 n MET 145 N -4.12 0.43 0.00 0.39 2.81 -0.48 -5.12 117.12 111.04 1cm4 n MET 145 Ca 0.00 0.02 0.00 0.00 -1.81 0.00 0.00 57.70 55.92 1cm4 n MET 145 Cb 0.44 -1.50 0.00 0.00 -0.71 0.00 0.00 33.22 31.45 1cm4 n MET 145 CO 0.00 0.00 0.00 0.25 1.51 0.00 0.00 175.97 177.73