#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2hmm s ASN 4 N 0.00 6.15 0.00 4.38 3.84 -1.26 -4.95 114.94 123.11 2hmm s ASN 4 Ca 0.00 -1.00 0.26 0.00 0.21 0.00 0.00 52.86 52.33 2hmm s ASN 4 Cb 0.00 -2.20 1.20 0.00 -0.55 0.00 0.00 41.25 39.70 2hmm s ASN 4 CO 0.00 -0.59 1.87 2.30 -2.79 0.00 0.00 177.10 177.88 2hmm n ILE 5 N 5.28 0.17 0.09 -5.21 -5.35 -1.26 -0.43 119.36 112.65 2hmm n ILE 5 Ca -0.10 0.04 -0.07 0.00 -0.27 0.00 0.00 62.75 62.35 2hmm n ILE 5 Cb 0.46 -0.59 0.03 0.00 -1.74 0.00 0.00 39.64 37.79 2hmm n ILE 5 CO 0.00 0.00 0.00 1.56 -1.76 0.00 0.00 176.55 176.35 2hmm h GLN 6 N 0.00 0.17 0.05 6.28 7.50 -1.93 -3.35 115.11 123.83 2hmm h GLN 6 Ca 0.00 -0.17 -0.27 0.00 0.50 0.00 0.00 58.65 58.71 2hmm h GLN 6 Cb 0.39 0.04 -0.02 0.00 0.05 0.00 0.00 27.48 27.94 2hmm h GLN 6 CO 0.00 0.88 -1.48 0.93 -1.50 0.00 0.00 178.83 177.67 2hmm h GLU 7 N 0.10 0.12 -5.12 1.46 5.08 -1.73 -3.41 114.58 111.08 2hmm h GLU 7 Ca -0.03 -0.20 -0.71 0.00 -1.00 0.00 0.00 59.36 57.42 2hmm h GLU 7 Cb 1.40 0.07 -0.15 0.00 0.50 0.00 0.00 28.75 30.57 2hmm h GLU 7 CO 0.12 1.09 1.46 -0.51 -1.00 0.00 0.00 179.01 180.18 2hmm s ASP 8 N -6.93 6.92 0.59 1.42 1.01 0.42 -4.85 116.67 115.25 2hmm s ASP 8 Ca -0.25 -2.63 0.36 0.00 0.71 0.00 0.00 52.55 50.74 2hmm s ASP 8 Cb 0.06 -2.45 1.80 0.00 1.01 0.00 0.00 42.92 43.33 2hmm s ASP 8 CO 0.67 -0.94 2.16 0.11 0.21 0.00 0.00 175.17 177.39 2hmm h LYS 9 N 7.68 0.00 -0.01 8.23 1.79 -1.80 -1.93 116.57 130.53 2hmm h LYS 9 Ca 0.31 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.78 2hmm h LYS 9 Cb 0.91 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.56 2hmm h LYS 9 CO 1.28 0.03 -0.25 1.28 -1.08 0.00 0.00 179.45 180.71 2hmm n LEU 10 N -3.26 1.11 -4.71 2.94 4.77 -1.26 -4.90 117.00 111.69 2hmm n LEU 10 Ca -0.01 -0.30 -0.38 0.00 -0.03 0.00 0.00 56.01 55.28 2hmm n LEU 10 Cb 0.20 -0.11 -0.06 0.00 -2.33 0.00 0.00 43.42 41.12 2hmm n LEU 10 CO 0.25 0.21 0.22 -0.69 -1.33 0.00 0.00 177.39 176.05 2hmm s VAL 11 N -2.47 5.15 0.54 4.08 1.01 -0.73 -5.07 120.40 122.92 2hmm s VAL 11 Ca 0.25 1.03 -0.18 0.00 0.00 0.00 0.00 61.98 63.08 2hmm s VAL 11 Cb 0.19 -3.85 -0.06 0.00 0.00 0.00 0.00 36.38 32.66 2hmm s VAL 11 CO 0.51 0.29 1.04 -0.94 0.00 0.00 0.00 175.10 176.00 2hmm s SER 12 N 0.73 6.12 0.22 3.32 1.04 -1.26 -4.88 113.70 118.99 2hmm s SER 12 Ca 0.27 1.84 -0.08 0.00 0.48 0.00 0.00 55.95 58.46 2hmm s SER 12 Cb -0.16 -2.54 0.30 0.00 0.10 0.00 0.00 66.02 63.72 2hmm s SER 12 CO 0.11 -0.93 1.77 0.00 0.98 0.00 0.00 173.24 175.17 2hmm h ALA 13 N 0.99 0.90 -0.12 5.32 0.00 -1.98 -1.38 119.26 122.98 2hmm h ALA 13 Ca -0.48 0.05 0.01 0.00 0.00 0.00 0.00 54.91 54.49 2hmm h ALA 13 Cb 1.22 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.97 2hmm h ALA 13 CO 0.59 -0.08 0.06 1.25 0.00 0.00 0.00 179.25 181.07 2hmm h HIS 14 N 0.55 0.11 -0.89 0.00 -0.00 -2.00 -1.73 115.15 111.20 2hmm h HIS 14 Ca 0.32 0.01 -0.01 0.00 -0.00 0.00 0.00 60.37 60.69 2hmm h HIS 14 Cb 0.33 -0.03 -0.04 0.00 -0.00 0.00 0.00 27.41 27.67 2hmm h HIS 14 CO -0.12 0.06 0.51 -0.44 -0.00 0.00 0.00 177.93 177.95 2hmm h ASP 15 N 0.13 1.08 -0.74 3.26 3.32 -1.85 -2.14 116.42 119.49 2hmm h ASP 15 Ca 0.05 -0.08 -0.05 0.00 0.02 0.00 0.00 57.03 56.97 2hmm h ASP 15 Cb 0.01 -0.27 -0.03 0.00 0.22 0.00 0.00 39.33 39.25 2hmm h ASP 15 CO -0.04 0.85 0.28 0.00 -1.72 0.00 0.00 179.24 178.62 2hmm h ALA 16 N 1.28 1.09 -0.29 3.45 0.00 -0.98 -1.98 119.26 121.82 2hmm h ALA 16 Ca 0.31 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 55.03 2hmm h ALA 16 Cb -0.01 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.47 2hmm h ALA 16 CO -0.06 0.64 0.19 0.93 0.00 0.00 0.00 179.25 180.95 2hmm h GLU 17 N 1.09 0.39 -0.50 0.00 5.08 -0.95 -2.74 114.58 116.94 2hmm h GLU 17 Ca 0.25 -0.03 -0.07 0.00 -1.00 0.00 0.00 59.36 58.52 2hmm h GLU 17 Cb 0.23 -0.09 -0.02 0.00 0.50 0.00 0.00 28.75 29.37 2hmm h GLU 17 CO -0.02 0.27 0.04 0.93 -1.00 0.00 0.00 179.01 179.23 2hmm h GLU 18 N 0.39 0.81 -0.07 2.33 4.39 -1.17 -2.74 114.58 118.52 2hmm h GLU 18 Ca 0.11 -0.20 0.02 0.00 0.34 0.00 0.00 59.36 59.63 2hmm h GLU 18 Cb -0.03 -0.10 -0.03 0.00 -0.10 0.00 0.00 28.75 28.49 2hmm h GLU 18 CO -0.02 0.79 -0.08 0.82 -1.16 0.00 0.00 179.01 179.36 2hmm h ILE 19 N 0.77 0.78 -0.99 3.13 1.08 -1.25 -2.96 117.51 118.06 2hmm h ILE 19 Ca 0.16 0.00 0.20 0.00 -0.39 0.00 0.00 64.86 64.83 2hmm h ILE 19 Cb 0.40 0.78 -0.10 0.00 -3.07 0.00 0.00 36.82 34.83 2hmm h ILE 19 CO 0.01 0.00 0.62 0.25 -0.69 0.00 0.00 178.15 178.34 2hmm h LEU 20 N -0.10 0.71 -1.85 1.44 5.85 -1.18 -1.40 115.31 118.78 2hmm h LEU 20 Ca 0.06 0.09 0.00 0.00 0.84 0.00 0.00 57.88 58.87 2hmm h LEU 20 Cb 0.18 -0.04 -0.01 0.00 0.37 0.00 0.00 40.66 41.17 2hmm h LEU 20 CO -0.13 0.24 0.09 -0.09 -0.34 0.00 0.00 178.44 178.21 2hmm h ARG 21 N 0.68 0.19 0.00 1.25 2.43 -1.41 -3.12 114.38 114.41 2hmm h ARG 21 Ca 0.57 -0.01 -0.05 0.00 -0.81 0.00 0.00 59.98 59.67 2hmm h ARG 21 Cb 0.99 -0.04 -0.01 0.00 -0.42 0.00 0.00 29.97 30.49 2hmm h ARG 21 CO -0.35 0.13 -1.96 1.19 -1.51 0.00 0.00 179.97 177.47 2hmm n PHE 22 N -4.51 0.00 0.53 2.20 3.72 -0.56 -4.18 117.46 114.65 2hmm n PHE 22 Ca -0.01 0.00 0.13 0.00 -0.05 0.00 0.00 57.45 57.52 2hmm n PHE 22 Cb 0.08 -0.52 0.45 0.00 -0.94 0.00 0.00 39.48 38.55 2hmm n PHE 22 CO 0.00 0.00 0.00 1.19 -0.05 0.00 0.00 176.76 177.90 2hmm n PHE 23 N -2.26 0.86 -0.00 1.38 3.01 -0.99 -4.38 117.46 115.08 2hmm n PHE 23 Ca -0.08 0.29 -0.10 0.00 1.01 0.00 0.00 57.45 58.57 2hmm n PHE 23 Cb 0.61 -0.97 -0.08 0.00 -0.01 0.00 0.00 39.48 39.03 2hmm n PHE 23 CO 0.00 0.00 0.00 -0.91 1.01 0.00 0.00 176.76 176.86 2hmm h ASN 24 N 0.00 -0.09 -1.52 4.37 2.35 -1.71 -3.43 115.58 115.55 2hmm h ASN 24 Ca 0.00 -0.49 -0.24 0.00 -0.55 0.00 0.00 56.30 55.01 2hmm h ASN 24 Cb 0.56 0.02 -0.25 0.00 0.05 0.00 0.00 38.32 38.70 2hmm h ASN 24 CO 0.00 0.58 -0.59 0.00 -1.65 0.00 0.00 177.43 175.77 2hmm s HIS 26 N 1.45 3.55 -0.27 0.00 2.46 -1.26 -4.94 115.29 116.28 2hmm s HIS 26 Ca 0.19 1.61 0.03 0.00 0.47 0.00 0.00 55.06 57.35 2hmm s HIS 26 Cb -0.09 -3.16 0.06 0.00 -0.13 0.00 0.00 32.58 29.27 2hmm s HIS 26 CO -0.05 -0.16 -0.09 0.34 -2.47 0.00 0.00 174.74 172.31 2hmm s ASP 27 N 1.07 4.52 0.37 9.88 2.15 -1.26 -5.02 116.67 128.38 2hmm s ASP 27 Ca 0.49 -1.45 0.05 0.00 0.43 0.00 0.00 52.55 52.06 2hmm s ASP 27 Cb -0.19 -1.57 0.72 0.00 -0.30 0.00 0.00 42.92 41.58 2hmm s ASP 27 CO 0.21 -0.21 2.00 0.28 -0.17 0.00 0.00 175.17 177.27 2hmm h SER 28 N 7.78 0.65 -0.15 -0.34 0.02 -1.97 -2.01 113.55 117.53 2hmm h SER 28 Ca -0.18 -0.01 -0.12 0.00 -0.84 0.00 0.00 61.79 60.64 2hmm h SER 28 Cb 1.04 -0.15 -0.01 0.00 0.14 0.00 0.00 62.40 63.42 2hmm h SER 28 CO 0.47 0.45 -0.31 0.00 -1.14 0.00 0.00 176.83 176.30 2hmm h ALA 29 N 1.63 0.89 -0.61 3.77 0.00 -1.99 -1.89 119.26 121.07 2hmm h ALA 29 Ca 0.24 -0.40 -0.08 0.00 0.00 0.00 0.00 54.91 54.68 2hmm h ALA 29 Cb 0.04 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 17.68 2hmm h ALA 29 CO -0.06 0.63 0.06 1.25 0.00 0.00 0.00 179.25 181.12 2hmm h LEU 30 N 0.54 0.97 -0.64 0.00 5.85 -1.77 -0.56 115.31 119.70 2hmm h LEU 30 Ca 0.06 -0.24 -0.07 0.00 0.84 0.00 0.00 57.88 58.47 2hmm h LEU 30 Cb 0.81 -0.26 -0.03 0.00 0.37 0.00 0.00 40.66 41.55 2hmm h LEU 30 CO 0.07 0.99 0.11 1.56 -0.34 0.00 0.00 178.44 180.83 2hmm h GLN 31 N 0.94 1.05 -0.37 1.25 1.08 -1.11 0.41 115.11 118.35 2hmm h GLN 31 Ca 0.18 -0.28 -0.09 0.00 -1.45 0.00 0.00 58.65 57.02 2hmm h GLN 31 Cb 0.46 -0.12 -0.01 0.00 -0.05 0.00 0.00 27.48 27.75 2hmm h GLN 31 CO 0.02 0.97 -0.11 1.96 -0.95 0.00 0.00 178.83 180.71 2hmm h GLN 32 N 0.96 0.73 -0.19 1.46 4.20 -1.13 0.15 115.11 121.28 2hmm h GLN 32 Ca 0.19 -0.29 0.03 0.00 0.06 0.00 0.00 58.65 58.65 2hmm h GLN 32 Cb 0.42 -0.04 -0.03 0.00 0.30 0.00 0.00 27.48 28.13 2hmm h GLN 32 CO 0.01 0.89 -0.01 1.49 -0.67 0.00 0.00 178.83 180.54 2hmm h GLU 33 N 0.52 0.05 -0.79 1.46 4.81 -0.88 -1.38 114.58 118.36 2hmm h GLU 33 Ca 0.09 -0.00 0.08 0.00 -0.13 0.00 0.00 59.36 59.40 2hmm h GLU 33 Cb 0.63 -0.01 -0.07 0.00 0.63 0.00 0.00 28.75 29.93 2hmm h GLU 33 CO 0.04 0.03 0.46 0.00 -0.73 0.00 0.00 179.01 178.81 2hmm h ALA 34 N 1.17 1.10 -0.40 2.92 0.00 -0.75 -0.60 119.26 122.71 2hmm h ALA 34 Ca 0.09 0.02 -0.00 0.00 0.00 0.00 0.00 54.91 55.02 2hmm h ALA 34 Cb 0.12 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.74 2hmm h ALA 34 CO -0.16 0.13 0.24 1.15 0.00 0.00 0.00 179.25 180.61 2hmm h THR 35 N 0.81 1.13 -0.22 0.00 2.02 -0.50 -1.11 112.91 115.04 2hmm h THR 35 Ca 0.37 -0.29 0.01 0.00 0.77 0.00 0.00 66.41 67.27 2hmm h THR 35 Cb 0.27 0.60 -0.02 0.00 -1.74 0.00 0.00 68.15 67.26 2hmm h THR 35 CO -0.21 0.13 0.11 0.74 0.37 0.00 0.00 175.52 176.66 2hmm h THR 36 N 0.53 1.01 -0.36 3.16 2.02 -0.74 0.06 112.91 118.59 2hmm h THR 36 Ca 0.14 -0.08 0.07 0.00 0.77 0.00 0.00 66.41 67.31 2hmm h THR 36 Cb -0.00 0.74 -0.06 0.00 -1.74 0.00 0.00 68.15 67.09 2hmm h THR 36 CO -0.03 0.04 -0.03 -0.07 0.37 0.00 0.00 175.52 175.81 2hmm h LEU 37 N 0.24 -0.21 -0.33 2.58 4.07 -0.84 -0.45 115.31 120.37 2hmm h LEU 37 Ca 0.09 0.09 -0.20 0.00 0.08 0.00 0.00 57.88 57.94 2hmm h LEU 37 Cb 0.01 0.17 -0.00 0.00 1.08 0.00 0.00 40.66 41.92 2hmm h LEU 37 CO -0.05 -0.07 -0.75 -0.07 -1.08 0.00 0.00 178.44 176.42 2hmm h LEU 38 N 0.06 0.61 -0.46 1.67 3.38 -1.01 -1.93 115.31 117.63 2hmm h LEU 38 Ca 0.17 -0.40 -0.04 0.00 0.09 0.00 0.00 57.88 57.70 2hmm h LEU 38 Cb 0.25 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 40.80 2hmm h LEU 38 CO -0.32 1.16 0.13 0.74 0.09 0.00 0.00 178.44 180.24 2hmm h THR 39 N 0.35 1.23 -0.59 0.22 2.02 -0.71 -1.21 112.91 114.22 2hmm h THR 39 Ca -0.04 -0.77 -0.05 0.00 0.77 0.00 0.00 66.41 66.32 2hmm h THR 39 Cb 1.34 0.87 -0.02 0.00 -1.74 0.00 0.00 68.15 68.59 2hmm h THR 39 CO 0.14 0.28 0.16 1.56 0.37 0.00 0.00 175.52 178.03 2hmm h GLN 40 N 0.60 0.93 -0.46 6.66 4.20 -1.06 -1.47 115.11 124.51 2hmm h GLN 40 Ca 0.15 -0.21 0.04 0.00 0.06 0.00 0.00 58.65 58.69 2hmm h GLN 40 Cb 0.29 -0.13 -0.04 0.00 0.30 0.00 0.00 27.48 27.90 2hmm h GLN 40 CO -0.00 0.84 0.21 1.49 -0.67 0.00 0.00 178.83 180.70 2hmm h GLU 41 N 0.84 0.41 -0.29 1.46 4.81 -1.25 -1.63 114.58 118.94 2hmm h GLU 41 Ca 0.19 -0.02 -0.06 0.00 -0.13 0.00 0.00 59.36 59.33 2hmm h GLU 41 Cb 0.32 -0.09 -0.02 0.00 0.63 0.00 0.00 28.75 29.59 2hmm h GLU 41 CO -0.00 0.27 -0.07 0.00 -0.73 0.00 0.00 179.01 178.48 2hmm h ALA 42 N 1.26 1.34 -0.13 2.92 0.00 -0.99 -1.60 119.26 122.06 2hmm h ALA 42 Ca 0.20 -0.23 -0.05 0.00 0.00 0.00 0.00 54.91 54.83 2hmm h ALA 42 Cb 0.14 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 17.79 2hmm h ALA 42 CO -0.16 0.45 -0.11 1.25 0.00 0.00 0.00 179.25 180.68 2hmm h HIS 43 N 0.44 0.36 -0.49 0.00 -0.00 -0.82 0.13 115.15 114.78 2hmm h HIS 43 Ca 0.09 -0.10 0.03 0.00 -0.00 0.00 0.00 60.37 60.38 2hmm h HIS 43 Cb 0.40 -0.08 -0.04 0.00 -0.00 0.00 0.00 27.41 27.70 2hmm h HIS 43 CO 0.01 0.69 0.28 -0.07 -0.00 0.00 0.00 177.93 178.84 2hmm h LEU 44 N -0.07 0.44 -0.41 0.26 3.38 -1.10 -1.88 115.31 115.93 2hmm h LEU 44 Ca 0.02 0.01 -0.04 0.00 0.09 0.00 0.00 57.88 57.96 2hmm h LEU 44 Cb 0.62 -0.08 -0.02 0.00 0.09 0.00 0.00 40.66 41.28 2hmm h LEU 44 CO 0.03 0.31 0.10 -0.07 0.09 0.00 0.00 178.44 178.90 2hmm h LEU 45 N 0.55 0.63 -1.51 1.67 3.38 -1.20 -1.16 115.31 117.67 2hmm h LEU 45 Ca 0.20 -0.23 0.00 0.00 0.09 0.00 0.00 57.88 57.94 2hmm h LEU 45 Cb 0.05 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 40.62 2hmm h LEU 45 CO -0.11 0.70 0.30 0.44 0.09 0.00 0.00 178.44 179.85 2hmm h ASP 46 N 0.53 0.55 -0.22 -0.43 3.32 -0.28 -0.63 116.42 119.26 2hmm h ASP 46 Ca 0.13 -0.02 0.00 0.00 0.02 0.00 0.00 57.03 57.16 2hmm h ASP 46 Cb 0.31 -0.14 0.00 0.00 0.22 0.00 0.00 39.33 39.73 2hmm h ASP 46 CO 0.00 0.41 0.00 2.30 -1.72 0.00 0.00 179.24 180.23 2hmm n ILE 47 N -4.45 0.28 -2.50 0.35 -5.35 -0.75 -4.25 119.36 102.69 2hmm n ILE 47 Ca 0.04 -0.39 -0.18 0.00 -0.27 0.00 0.00 62.75 61.95 2hmm n ILE 47 Cb 0.06 0.35 0.00 0.00 -1.74 0.00 0.00 39.64 38.31 2hmm n ILE 47 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 2hmm n GLN 48 N 0.39 -2.21 -1.53 6.28 6.02 -0.25 -4.91 117.38 121.17 2hmm n GLN 48 Ca 0.15 0.85 -0.40 0.00 -0.01 0.00 0.00 57.00 57.59 2hmm n GLN 48 Cb 0.33 -5.37 -0.02 0.00 1.02 0.00 0.00 30.24 26.19 2hmm n GLN 48 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 2hmm n ALA 49 N -2.27 6.90 -0.14 -1.58 0.00 -0.46 -4.75 120.51 118.21 2hmm n ALA 49 Ca -0.18 -3.71 -0.03 0.00 0.00 0.00 0.00 53.44 49.52 2hmm n ALA 49 Cb 0.65 -3.34 0.19 0.00 0.00 0.00 0.00 19.45 16.95 2hmm n ALA 49 CO 0.00 0.00 0.00 1.88 0.00 0.00 0.00 177.50 179.38 2hmm h TYR 50 N 5.24 0.87 -0.41 0.00 0.05 -1.91 -0.29 116.97 120.52 2hmm h TYR 50 Ca 0.76 -0.07 -0.07 0.00 0.05 0.00 0.00 58.73 59.39 2hmm h TYR 50 Cb 0.39 -0.26 -0.01 0.00 1.01 0.00 0.00 36.73 37.86 2hmm h TYR 50 CO 1.72 0.72 -0.03 0.00 -1.05 0.00 0.00 178.16 179.52 2hmm h ARG 51 N 0.82 0.75 -0.84 4.88 3.08 -1.95 -1.80 114.38 119.33 2hmm h ARG 51 Ca 0.18 -0.26 0.00 0.00 0.07 0.00 0.00 59.98 59.98 2hmm h ARG 51 Cb 0.27 -0.06 -0.04 0.00 0.08 0.00 0.00 29.97 30.22 2hmm h ARG 51 CO -0.00 0.85 0.53 0.00 -1.07 0.00 0.00 179.97 180.27 2hmm h ALA 52 N 0.88 1.35 0.09 0.04 0.00 -1.87 -0.65 119.26 119.10 2hmm h ALA 52 Ca 0.11 -0.08 -0.00 0.00 0.00 0.00 0.00 54.91 54.94 2hmm h ALA 52 Cb 0.53 -0.34 0.00 0.00 0.00 0.00 0.00 17.79 17.98 2hmm h ALA 52 CO 0.03 0.58 -0.04 2.35 0.00 0.00 0.00 179.25 182.16 2hmm h TRP 53 N 1.15 -0.12 -0.37 0.00 7.01 -0.81 0.17 115.95 122.98 2hmm h TRP 53 Ca 0.30 -0.00 0.06 0.00 2.11 0.00 0.00 58.89 61.36 2hmm h TRP 53 Cb -0.09 0.04 -0.05 0.00 -2.10 0.00 0.00 29.16 26.96 2hmm h TRP 53 CO 0.00 -0.03 0.07 -0.07 -2.79 0.00 0.00 178.44 175.62 2hmm h LEU 54 N -0.17 0.01 -0.50 0.65 3.38 -0.97 0.24 115.31 117.96 2hmm h LEU 54 Ca -0.01 0.06 -0.08 0.00 0.09 0.00 0.00 57.88 57.94 2hmm h LEU 54 Cb 0.13 0.08 -0.02 0.00 0.09 0.00 0.00 40.66 40.95 2hmm h LEU 54 CO 0.02 0.04 -0.01 -0.33 0.09 0.00 0.00 178.44 178.26 2hmm h GLU 55 N 0.20 0.89 0.00 1.13 5.08 -0.87 -3.07 114.58 117.93 2hmm h GLU 55 Ca 0.18 -0.29 -0.10 0.00 -1.00 0.00 0.00 59.36 58.15 2hmm h GLU 55 Cb 0.21 -0.08 -0.02 0.00 0.50 0.00 0.00 28.75 29.36 2hmm h GLU 55 CO -0.23 0.92 -2.00 1.58 -1.00 0.00 0.00 179.01 178.28 2hmm n HIS 56 N -4.31 0.11 0.01 4.33 -0.00 0.58 -4.66 115.22 111.27 2hmm n HIS 56 Ca 0.01 0.03 0.00 0.00 0.46 0.00 0.00 57.72 58.23 2hmm n HIS 56 Cb 0.32 -0.68 -0.00 0.00 -0.12 0.00 0.00 29.99 29.51 2hmm n HIS 56 CO 0.00 0.00 0.00 0.00 0.46 0.00 0.00 176.34 176.80 2hmm s VAL 58 N -1.51 2.30 0.50 0.00 1.01 -1.15 0.15 120.40 121.71 2hmm s VAL 58 Ca 0.00 -0.88 -0.20 0.00 0.00 0.00 0.00 61.98 60.91 2hmm s VAL 58 Cb 0.00 -1.97 -0.08 0.00 0.00 0.00 0.00 36.38 34.34 2hmm s VAL 58 CO 0.01 0.53 1.04 -0.83 0.00 0.00 0.00 175.10 175.84 2hmm s GLY 59 N 1.08 2.45 0.54 4.51 0.00 0.35 -4.78 107.32 111.46 2hmm s GLY 59 Ca -0.00 0.56 0.24 0.00 0.00 0.00 0.00 44.72 45.52 2hmm s GLY 59 CO -0.06 0.88 2.14 1.48 0.00 0.00 0.00 173.10 177.54 2hmm h SER 60 N 1.43 0.00 -0.46 1.64 4.64 -1.95 -1.98 113.55 116.87 2hmm h SER 60 Ca -0.49 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.83 2hmm h SER 60 Cb 1.22 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.31 2hmm h SER 60 CO 0.59 0.07 0.00 -1.84 -0.87 0.00 0.00 176.83 174.78 2hmm n GLU 61 N -3.97 3.57 -1.73 4.77 0.00 -1.26 -4.42 120.64 117.60 2hmm n GLU 61 Ca -0.03 -2.28 -0.40 0.00 0.00 0.00 0.00 57.16 54.45 2hmm n GLU 61 Cb 0.16 -1.93 0.02 0.00 0.00 0.00 0.00 31.44 29.68 2hmm n GLU 61 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 177.13 178.68 2hmm n VAL 62 N 0.62 2.82 -3.97 3.84 3.14 -0.74 -4.89 118.33 119.14 2hmm n VAL 62 Ca 0.20 -0.50 -0.34 0.00 -2.96 0.00 0.00 64.34 60.74 2hmm n VAL 62 Cb 0.85 -1.69 -0.14 0.00 -1.06 0.00 0.00 33.84 31.80 2hmm n VAL 62 CO 0.00 0.00 0.00 -1.58 -6.46 0.00 0.00 176.83 168.79 2hmm s GLN 63 N -2.39 2.96 -0.36 1.45 0.74 -0.68 -4.07 119.66 117.31 2hmm s GLN 63 Ca 0.62 -0.89 -0.05 0.00 0.05 0.00 0.00 55.36 55.10 2hmm s GLN 63 Cb -0.47 -2.93 0.06 0.00 1.10 0.00 0.00 33.01 30.77 2hmm s GLN 63 CO 0.57 -0.33 0.12 -0.47 -0.55 0.00 0.00 175.29 174.63 2hmm s TYR 64 N 1.35 3.35 -0.06 1.67 6.14 0.11 -1.28 117.35 128.63 2hmm s TYR 64 Ca 0.02 -1.79 0.02 0.00 0.64 0.00 0.00 57.07 55.96 2hmm s TYR 64 Cb -0.16 -2.56 0.02 0.00 0.42 0.00 0.00 41.96 39.68 2hmm s TYR 64 CO -0.05 -0.83 -0.08 -1.14 0.64 0.00 0.00 175.55 174.09 2hmm s GLN 65 N 1.31 1.28 -0.13 4.97 0.74 0.18 -0.80 119.66 127.22 2hmm s GLN 65 Ca 0.00 -0.27 -0.01 0.00 0.05 0.00 0.00 55.36 55.14 2hmm s GLN 65 Cb -0.21 -1.14 0.03 0.00 1.10 0.00 0.00 33.01 32.79 2hmm s GLN 65 CO 0.00 -0.03 -0.07 0.08 -0.55 0.00 0.00 175.29 174.73 2hmm s VAL 66 N 0.79 1.02 0.22 1.34 1.01 -0.44 -1.16 120.40 123.17 2hmm s VAL 66 Ca -0.13 -0.37 0.06 0.00 0.00 0.00 0.00 61.98 61.54 2hmm s VAL 66 Cb -0.15 -1.09 -0.04 0.00 0.00 0.00 0.00 36.38 35.10 2hmm s VAL 66 CO 0.02 0.29 0.22 0.27 0.00 0.00 0.00 175.10 175.90 2hmm s ILE 67 N 1.70 4.68 -0.17 2.22 -4.36 0.62 -0.27 121.20 125.62 2hmm s ILE 67 Ca 0.04 -1.19 0.01 0.00 -0.26 0.00 0.00 60.65 59.24 2hmm s ILE 67 Cb -0.13 -3.49 0.03 0.00 1.25 0.00 0.00 42.46 40.12 2hmm s ILE 67 CO -0.08 -0.27 -0.16 -0.55 0.24 0.00 0.00 174.94 174.13 2hmm s SER 68 N -3.63 2.99 -0.17 4.36 0.15 -0.42 -1.00 113.70 115.97 2hmm s SER 68 Ca 0.33 -0.62 -0.14 0.00 0.70 0.00 0.00 55.95 56.21 2hmm s SER 68 Cb -0.09 -1.30 -0.05 0.00 -1.71 0.00 0.00 66.02 62.87 2hmm s SER 68 CO 0.26 -0.05 0.31 -0.60 1.20 0.00 0.00 173.24 174.35 2hmm s ARG 69 N 1.39 4.24 0.35 5.44 3.52 -1.26 -1.45 118.95 131.19 2hmm s ARG 69 Ca 0.04 0.11 -0.28 0.00 -0.13 0.00 0.00 55.73 55.46 2hmm s ARG 69 Cb -0.14 -3.45 -0.11 0.00 -1.56 0.00 0.00 34.95 29.70 2hmm s ARG 69 CO -0.11 0.18 1.40 -2.00 -0.81 0.00 0.00 175.30 173.97 2hmm s GLU 70 N 0.64 4.22 -0.19 5.12 2.12 -0.40 -4.93 118.70 125.29 2hmm s GLU 70 Ca 0.17 2.40 -0.29 0.00 0.36 0.00 0.00 54.97 57.61 2hmm s GLU 70 Cb -0.13 -3.02 -0.01 0.00 0.26 0.00 0.00 34.13 31.22 2hmm s GLU 70 CO 0.05 -0.37 1.31 -0.51 -0.54 0.00 0.00 175.26 175.20 2hmm s LEU 71 N -1.91 4.12 0.24 2.70 1.43 -1.26 -4.99 118.68 119.01 2hmm s LEU 71 Ca 0.51 1.64 0.05 0.00 -1.03 0.00 0.00 54.13 55.30 2hmm s LEU 71 Cb -0.43 -3.54 -0.05 0.00 0.03 0.00 0.00 46.19 42.20 2hmm s LEU 71 CO 0.58 -0.85 -0.06 -0.13 0.23 0.00 0.00 176.35 176.12 2hmm s ARG 72 N 3.71 1.39 0.32 1.70 1.81 -1.26 -5.13 118.95 121.50 2hmm s ARG 72 Ca 0.57 -1.68 -0.28 0.00 -1.72 0.00 0.00 55.73 52.61 2hmm s ARG 72 Cb -0.22 -0.91 -0.10 0.00 -0.45 0.00 0.00 34.95 33.28 2hmm s ARG 72 CO 0.18 0.02 1.18 0.00 -0.68 0.00 0.00 175.30 175.99 2hmm s ALA 73 N -3.18 3.37 0.47 2.13 0.00 -1.26 -4.90 121.76 118.39 2hmm s ALA 73 Ca 0.27 1.02 0.13 0.00 0.00 0.00 0.00 51.96 53.37 2hmm s ALA 73 Cb 0.04 -3.38 1.09 0.00 0.00 0.00 0.00 23.12 20.86 2hmm s ALA 73 CO 0.09 -0.38 2.08 0.00 0.00 0.00 0.00 175.76 177.54 2hmm h ALA 74 N 3.40 1.93 -0.01 0.00 0.00 -2.04 -1.07 119.26 121.47 2hmm h ALA 74 Ca -0.48 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.42 2hmm h ALA 74 Cb 1.22 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.94 2hmm h ALA 74 CO 0.65 0.03 -0.10 -1.13 0.00 0.00 0.00 179.25 178.70 2hmm n SER 75 N -4.49 0.84 -4.72 0.00 3.41 -1.26 -4.95 113.62 102.45 2hmm n SER 75 Ca 0.02 -0.96 -0.42 0.00 -0.26 0.00 0.00 58.87 57.25 2hmm n SER 75 Cb 0.16 0.01 -0.03 0.00 -0.26 0.00 0.00 64.21 64.09 2hmm n SER 75 CO 0.00 0.00 0.00 1.21 -0.16 0.00 0.00 175.04 176.09 2hmm n GLU 76 N -0.57 2.73 0.00 4.33 4.07 -0.41 -4.87 120.64 125.92 2hmm n GLU 76 Ca 0.16 0.98 0.00 0.00 -0.06 0.00 0.00 57.16 58.25 2hmm n GLU 76 Cb 0.30 -2.82 0.00 0.00 -0.06 0.00 0.00 31.44 28.86 2hmm n GLU 76 CO 0.00 0.00 0.00 2.89 -0.06 0.00 0.00 177.13 179.96 2hmm n ARG 77 N 3.80 0.00 -0.07 5.31 0.00 -1.26 -4.93 116.66 119.51 2hmm n ARG 77 Ca 0.16 0.00 -0.12 0.00 -0.00 0.00 0.00 57.85 57.89 2hmm n ARG 77 Cb 0.34 -0.40 -0.06 0.00 -0.00 0.00 0.00 32.46 32.34 2hmm n ARG 77 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.63 178.17 2hmm n ARG 78 N 0.00 0.32 -2.44 2.89 1.74 -1.26 -4.97 116.66 112.94 2hmm n ARG 78 Ca 0.00 0.10 -0.43 0.00 -0.77 0.00 0.00 57.85 56.75 2hmm n ARG 78 Cb 0.22 -1.17 -0.02 0.00 -1.02 0.00 0.00 32.46 30.47 2hmm n ARG 78 CO 0.00 0.00 0.00 -0.47 -1.52 0.00 0.00 177.63 175.64 2hmm s TYR 79 N -2.27 3.02 -0.08 -1.55 5.04 -1.26 -4.91 117.35 115.34 2hmm s TYR 79 Ca -0.19 1.11 0.12 0.00 -2.44 0.00 0.00 57.07 55.67 2hmm s TYR 79 Cb 0.06 -3.46 0.19 0.00 0.35 0.00 0.00 41.96 39.09 2hmm s TYR 79 CO 0.29 -1.51 1.10 1.63 -1.34 0.00 0.00 175.55 175.71 2hmm n LYS 80 N 5.92 0.82 -2.15 4.97 5.02 -1.26 -5.07 118.16 126.41 2hmm n LYS 80 Ca 0.12 -2.02 -0.28 0.00 -2.02 0.00 0.00 58.31 54.12 2hmm n LYS 80 Cb 0.45 -1.14 0.05 0.00 -0.02 0.00 0.00 35.03 34.37 2hmm n LYS 80 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 2hmm s LEU 81 N -1.85 2.98 -0.30 -0.35 1.43 -1.26 -4.89 118.68 114.44 2hmm s LEU 81 Ca 0.21 0.81 -0.28 0.00 -1.03 0.00 0.00 54.13 53.84 2hmm s LEU 81 Cb 0.18 -3.56 -0.12 0.00 0.03 0.00 0.00 46.19 42.72 2hmm s LEU 81 CO 0.02 -1.33 1.03 0.59 0.23 0.00 0.00 176.35 176.89 2hmm n ASN 82 N -2.85 0.66 0.10 2.29 5.03 -1.26 -4.83 115.26 114.40 2hmm n ASN 82 Ca 0.06 0.64 -0.02 0.00 0.87 0.00 0.00 54.58 56.13 2hmm n ASN 82 Cb 0.58 -0.53 -0.03 0.00 -1.02 0.00 0.00 39.78 38.79 2hmm n ASN 82 CO 0.00 0.00 0.00 -0.33 -1.83 0.00 0.00 177.26 175.10 2hmm h GLU 83 N 3.56 0.00 -4.15 3.52 5.08 -1.97 -3.47 114.58 117.14 2hmm h GLU 83 Ca -0.21 0.00 -0.12 0.00 -1.00 0.00 0.00 59.36 58.02 2hmm h GLU 83 Cb 0.83 0.00 -0.15 0.00 0.50 0.00 0.00 28.75 29.93 2hmm h GLU 83 CO 0.60 0.75 -0.58 0.00 -1.00 0.00 0.00 179.01 178.78 2hmm s ALA 84 N -2.89 0.38 0.30 3.43 0.00 -1.26 -1.28 121.76 120.44 2hmm s ALA 84 Ca 0.02 -1.10 0.11 0.00 0.00 0.00 0.00 51.96 50.98 2hmm s ALA 84 Cb 0.09 0.47 -0.05 0.00 0.00 0.00 0.00 23.12 23.63 2hmm s ALA 84 CO 0.78 -0.44 -0.12 0.00 0.00 0.00 0.00 175.76 175.98 2hmm s MET 85 N -3.93 1.84 -0.47 0.00 0.23 -0.53 -4.97 119.30 111.47 2hmm s MET 85 Ca 0.10 -1.77 -0.17 0.00 -1.03 0.00 0.00 55.69 52.83 2hmm s MET 85 Cb 0.07 -1.82 0.06 0.00 -1.53 0.00 0.00 34.83 31.60 2hmm s MET 85 CO -0.07 0.26 0.46 -0.80 -2.03 0.00 0.00 175.02 172.84 2hmm s ASN 86 N -3.58 6.17 0.13 -1.18 0.01 -1.26 -1.31 114.94 113.92 2hmm s ASN 86 Ca 0.31 -1.06 -0.16 0.00 -0.71 0.00 0.00 52.86 51.25 2hmm s ASN 86 Cb -0.03 -2.22 -0.01 0.00 0.41 0.00 0.00 41.25 39.41 2hmm s ASN 86 CO 0.17 -0.69 1.66 0.58 -1.51 0.00 0.00 177.10 177.30 2hmm h VAL 87 N 5.77 1.21 -4.13 1.60 2.07 -0.96 -3.43 116.25 118.38 2hmm h VAL 87 Ca -0.28 -0.68 -0.45 0.00 0.82 0.00 0.00 66.70 66.12 2hmm h VAL 87 Cb 1.11 0.91 -0.28 0.00 -1.52 0.00 0.00 31.29 31.50 2hmm h VAL 87 CO 0.88 0.24 -0.80 -0.31 0.02 0.00 0.00 177.57 177.60 2hmm s TYR 88 N -5.44 1.11 -0.48 1.57 2.02 -0.90 -4.95 117.35 110.28 2hmm s TYR 88 Ca -0.13 -0.23 0.06 0.00 -0.37 0.00 0.00 57.07 56.41 2hmm s TYR 88 Cb 0.10 -0.71 0.21 0.00 -0.40 0.00 0.00 41.96 41.16 2hmm s TYR 88 CO 0.76 -0.01 0.72 -1.71 -1.57 0.00 0.00 175.55 173.73 2hmm n ASN 89 N 2.67 -2.55 -4.52 2.29 5.15 -1.17 -1.33 115.26 115.79 2hmm n ASN 89 Ca -0.14 -2.96 -0.34 0.00 -0.60 0.00 0.00 54.58 50.54 2hmm n ASN 89 Cb 0.56 1.26 -0.12 0.00 -0.53 0.00 0.00 39.78 40.95 2hmm n ASN 89 CO 0.00 0.00 0.00 -1.61 1.40 0.00 0.00 177.26 177.05 2hmm s GLU 90 N 0.51 3.33 0.88 1.20 0.41 0.02 -4.89 118.70 120.16 2hmm s GLU 90 Ca 0.32 -0.53 -0.10 0.00 -0.41 0.00 0.00 54.97 54.24 2hmm s GLU 90 Cb 0.10 -2.78 0.18 0.00 -1.78 0.00 0.00 34.13 29.84 2hmm s GLU 90 CO -0.14 0.40 1.21 0.54 -0.49 0.00 0.00 175.26 176.77 2hmm s ASN 91 N -0.08 3.52 0.22 -0.19 2.20 -1.26 -0.71 114.94 118.64 2hmm s ASN 91 Ca 0.01 0.01 -0.08 0.00 -0.94 0.00 0.00 52.86 51.86 2hmm s ASN 91 Cb -0.13 -0.16 0.26 0.00 -2.00 0.00 0.00 41.25 39.22 2hmm s ASN 91 CO 0.03 -2.44 1.81 0.15 -2.94 0.00 0.00 177.10 173.71 2hmm h PHE 92 N -1.25 0.72 -0.55 1.54 3.04 -1.77 -0.69 116.94 117.98 2hmm h PHE 92 Ca -0.41 0.03 -0.08 0.00 3.98 0.00 0.00 57.97 61.49 2hmm h PHE 92 Cb 1.24 -0.22 -0.02 0.00 2.56 0.00 0.00 35.95 39.51 2hmm h PHE 92 CO -0.84 0.34 0.04 0.37 -2.02 0.00 0.00 178.31 176.20 2hmm h GLN 93 N 0.72 0.92 -0.48 1.11 5.75 -1.95 -0.13 115.11 121.05 2hmm h GLN 93 Ca 0.31 -0.25 -0.09 0.00 -0.15 0.00 0.00 58.65 58.48 2hmm h GLN 93 Cb 0.20 -0.11 -0.02 0.00 1.07 0.00 0.00 27.48 28.63 2hmm h GLN 93 CO -0.19 0.89 -0.05 1.96 -2.65 0.00 0.00 178.83 178.79 2hmm h GLN 94 N 0.86 0.89 -0.83 1.69 4.20 -1.82 -1.25 115.11 118.84 2hmm h GLN 94 Ca 0.17 -0.31 0.01 0.00 0.06 0.00 0.00 58.65 58.58 2hmm h GLN 94 Cb 0.45 -0.07 -0.04 0.00 0.30 0.00 0.00 27.48 28.12 2hmm h GLN 94 CO 0.02 0.95 0.55 -0.07 -0.67 0.00 0.00 178.83 179.61 2hmm h LEU 95 N 0.74 0.95 -0.59 1.46 3.38 -0.84 -2.18 115.31 118.22 2hmm h LEU 95 Ca 0.13 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 58.08 2hmm h LEU 95 Cb 0.58 -0.23 -0.03 0.00 0.09 0.00 0.00 40.66 41.07 2hmm h LEU 95 CO 0.03 0.68 0.38 0.50 0.09 0.00 0.00 178.44 180.13 2hmm h LYS 96 N 1.12 0.79 -0.41 1.13 3.64 -0.70 0.53 116.57 122.67 2hmm h LYS 96 Ca 0.31 -0.05 0.08 0.00 -1.27 0.00 0.00 60.65 59.71 2hmm h LYS 96 Cb -0.12 -0.17 -0.07 0.00 -0.41 0.00 0.00 32.23 31.46 2hmm h LYS 96 CO -0.07 0.54 -0.02 0.28 -2.27 0.00 0.00 179.45 177.90 2hmm h VAL 97 N 0.80 0.67 -0.64 2.00 2.07 -0.96 0.90 116.25 121.09 2hmm h VAL 97 Ca 0.22 -0.03 -0.02 0.00 0.82 0.00 0.00 66.70 67.69 2hmm h VAL 97 Cb -0.07 0.58 -0.03 0.00 -1.52 0.00 0.00 31.29 30.25 2hmm h VAL 97 CO -0.04 0.01 0.33 0.03 0.02 0.00 0.00 177.57 177.92 2hmm h ARG 98 N 0.08 0.89 -0.39 1.57 3.08 -0.74 -0.56 114.38 118.31 2hmm h ARG 98 Ca 0.20 -0.10 -0.11 0.00 0.07 0.00 0.00 59.98 60.03 2hmm h ARG 98 Cb 0.29 -0.17 -0.01 0.00 0.08 0.00 0.00 29.97 30.16 2hmm h ARG 98 CO -0.35 0.67 -0.20 0.28 -1.07 0.00 0.00 179.97 179.30 2hmm h VAL 99 N 0.89 1.28 -0.66 2.04 2.07 -0.10 -1.49 116.25 120.28 2hmm h VAL 99 Ca 0.22 -1.33 -0.05 0.00 0.82 0.00 0.00 66.70 66.36 2hmm h VAL 99 Cb 0.06 1.31 -0.03 0.00 -1.52 0.00 0.00 31.29 31.11 2hmm h VAL 99 CO -0.03 0.44 0.20 -0.33 0.02 0.00 0.00 177.57 177.87 2hmm h GLU 100 N 0.62 1.02 -0.82 1.57 4.39 -0.39 -1.62 114.58 119.35 2hmm h GLU 100 Ca 0.08 -0.21 0.02 0.00 0.34 0.00 0.00 59.36 59.59 2hmm h GLU 100 Cb 0.75 -0.15 -0.04 0.00 -0.10 0.00 0.00 28.75 29.21 2hmm h GLU 100 CO 0.06 0.88 0.54 1.25 -1.16 0.00 0.00 179.01 180.58 2hmm h HIS 101 N 0.98 1.02 -0.88 4.33 2.76 -0.89 -0.71 115.15 121.76 2hmm h HIS 101 Ca 0.22 0.02 -0.02 0.00 -2.20 0.00 0.00 60.37 58.39 2hmm h HIS 101 Cb 0.29 -0.34 -0.04 0.00 1.55 0.00 0.00 27.41 28.87 2hmm h HIS 101 CO 0.02 0.62 0.47 1.96 -1.30 0.00 0.00 177.93 179.70 2hmm h GLN 102 N 1.08 1.23 0.00 5.26 1.08 -0.55 -3.17 115.11 120.04 2hmm h GLN 102 Ca 0.31 -0.15 0.00 0.00 -1.45 0.00 0.00 58.65 57.36 2hmm h GLN 102 Cb -0.08 -0.24 0.00 0.00 -0.05 0.00 0.00 27.48 27.11 2hmm h GLN 102 CO -0.08 0.91 -0.40 1.28 -0.95 0.00 0.00 178.83 179.59 2hmm n LEU 103 N -4.32 0.42 -4.72 1.46 4.32 -0.68 -4.91 117.00 108.57 2hmm n LEU 103 Ca 0.09 0.16 -0.42 0.00 -0.02 0.00 0.00 56.01 55.82 2hmm n LEU 103 Cb 0.11 -0.30 -0.03 0.00 -1.62 0.00 0.00 43.42 41.58 2hmm n LEU 103 CO 0.39 0.07 1.20 -0.62 -1.22 0.00 0.00 177.39 177.21 2hmm s ASP 104 N -3.21 6.61 0.00 -1.43 -1.08 -0.33 -4.87 116.67 112.36 2hmm s ASP 104 Ca 0.11 2.61 0.13 0.00 -0.52 0.00 0.00 52.55 54.88 2hmm s ASP 104 Cb 0.17 -2.60 0.58 0.00 -1.46 0.00 0.00 42.92 39.61 2hmm s ASP 104 CO 0.66 -0.80 1.39 -0.81 0.52 0.00 0.00 175.17 176.14 2hmm n PRO 105 N 3.72 0.05 -0.50 4.34 -0.04 -1.26 -1.41 135.00 139.90 2hmm n PRO 105 Ca 0.13 0.25 0.09 0.00 -0.04 0.00 0.00 63.50 63.92 2hmm n PRO 105 Cb 0.39 -1.50 0.31 0.00 -0.04 0.00 0.00 33.50 32.66 2hmm n PRO 105 CO 0.00 0.00 0.00 1.04 -0.04 0.00 0.00 175.50 176.50 2hmm n GLN 106 N -1.44 3.42 -2.31 0.54 6.02 -1.26 -4.76 117.38 117.59 2hmm n GLN 106 Ca 0.04 -2.72 -0.34 0.00 -0.01 0.00 0.00 57.00 53.96 2hmm n GLN 106 Cb 0.14 -1.76 -0.04 0.00 1.02 0.00 0.00 30.24 29.60 2hmm n GLN 106 CO 0.00 0.00 0.00 1.21 -1.01 0.00 0.00 177.06 177.26 2hmm s ASN 107 N -1.08 5.83 0.42 1.08 3.84 -0.50 -4.84 114.94 119.68 2hmm s ASN 107 Ca 0.45 -1.00 0.12 0.00 0.21 0.00 0.00 52.86 52.65 2hmm s ASN 107 Cb 0.29 -2.56 0.89 0.00 -0.55 0.00 0.00 41.25 39.31 2hmm s ASN 107 CO 0.21 -2.11 1.94 -0.50 -2.79 0.00 0.00 177.10 173.85 2hmm h TRP 108 N 10.67 0.08 0.00 0.43 4.06 -1.88 -2.11 115.95 127.20 2hmm h TRP 108 Ca 0.12 -0.01 0.00 0.00 2.06 0.00 0.00 58.89 61.06 2hmm h TRP 108 Cb 1.01 -0.02 0.00 0.00 -1.00 0.00 0.00 29.16 29.15 2hmm h TRP 108 CO 1.24 0.27 0.00 0.41 -3.56 0.00 0.00 178.44 176.80 2hmm n GLY 109 N -0.89 -1.18 0.97 1.49 0.00 -1.26 -2.30 105.19 102.02 2hmm n GLY 109 Ca -0.02 0.08 0.06 0.00 0.00 0.00 0.00 46.02 46.14 2hmm n GLY 109 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2hmm n ASN 110 N -2.12 2.79 -3.86 1.61 3.02 -0.79 -4.77 115.26 111.14 2hmm n ASN 110 Ca 0.02 -2.19 -0.25 0.00 -0.03 0.00 0.00 54.58 52.13 2hmm n ASN 110 Cb 0.20 -0.40 -0.17 0.00 -0.61 0.00 0.00 39.78 38.79 2hmm n ASN 110 CO 0.00 0.00 0.00 -0.55 -2.62 0.00 0.00 177.26 174.09 2hmm s SER 111 N -0.80 1.89 0.74 6.41 0.15 -0.97 -3.03 113.70 118.09 2hmm s SER 111 Ca 0.29 -0.21 -0.13 0.00 0.70 0.00 0.00 55.95 56.60 2hmm s SER 111 Cb 0.18 -0.67 0.04 0.00 -1.71 0.00 0.00 66.02 63.86 2hmm s SER 111 CO 0.16 -0.14 1.12 -2.16 1.20 0.00 0.00 173.24 173.41 2hmm s PRO 112 N 1.75 2.32 0.32 5.44 0.04 -1.26 -5.01 135.00 138.60 2hmm s PRO 112 Ca 0.04 1.37 -0.29 0.00 0.04 0.00 0.00 61.00 62.16 2hmm s PRO 112 Cb -0.13 -1.89 -0.12 0.00 0.04 0.00 0.00 34.50 32.40 2hmm s PRO 112 CO -0.06 -1.62 1.37 1.17 0.04 0.00 0.00 177.00 177.89 2hmm n LYS 113 N -3.06 2.23 -1.26 4.56 4.81 -1.17 -4.84 118.16 119.42 2hmm n LYS 113 Ca 0.10 0.78 -0.30 0.00 -0.87 0.00 0.00 58.31 58.03 2hmm n LYS 113 Cb 0.52 -2.42 0.11 0.00 0.02 0.00 0.00 35.03 33.27 2hmm n LYS 113 CO 0.00 0.00 0.00 -0.51 1.17 0.00 0.00 177.40 178.06 2hmm s LEU 114 N -0.84 2.61 -0.13 3.14 1.02 -1.26 -4.89 118.68 118.33 2hmm s LEU 114 Ca 0.59 1.61 0.00 0.00 0.02 0.00 0.00 54.13 56.35 2hmm s LEU 114 Cb -0.57 -4.16 0.02 0.00 0.02 0.00 0.00 46.19 41.50 2hmm s LEU 114 CO 0.58 -2.32 -0.13 -0.13 0.02 0.00 0.00 176.35 174.38 2hmm s ARG 115 N -4.94 2.06 -0.05 1.70 1.81 -0.47 -5.01 118.95 114.05 2hmm s ARG 115 Ca 0.62 -0.47 0.03 0.00 -1.72 0.00 0.00 55.73 54.19 2hmm s ARG 115 Cb -0.17 -1.90 -0.03 0.00 -0.45 0.00 0.00 34.95 32.40 2hmm s ARG 115 CO 0.56 -0.20 -0.14 -0.06 -0.68 0.00 0.00 175.30 174.78 2hmm s PHE 116 N 1.42 2.72 -0.04 -0.53 0.40 -1.26 -0.91 117.98 119.79 2hmm s PHE 116 Ca 0.02 -0.16 -0.01 0.00 -0.60 0.00 0.00 56.93 56.18 2hmm s PHE 116 Cb -0.13 -1.64 0.03 0.00 0.51 0.00 0.00 43.02 41.79 2hmm s PHE 116 CO -0.08 0.19 0.05 0.99 0.70 0.00 0.00 175.22 177.07 2hmm s THR 117 N -0.71 -0.07 -0.04 0.64 2.01 -0.38 -4.79 115.64 112.31 2hmm s THR 117 Ca 0.11 0.35 0.02 0.00 0.31 0.00 0.00 61.69 62.48 2hmm s THR 117 Cb -0.11 -0.15 -0.03 0.00 0.01 0.00 0.00 72.50 72.22 2hmm s THR 117 CO 0.01 0.16 -0.07 -0.13 -0.69 0.00 0.00 174.62 173.89 2hmm s ARG 118 N 1.84 2.64 -0.22 4.92 0.52 -1.26 -0.93 118.95 126.47 2hmm s ARG 118 Ca 0.01 -0.64 0.00 0.00 -0.52 0.00 0.00 55.73 54.59 2hmm s ARG 118 Cb -0.12 -2.53 0.05 0.00 0.52 0.00 0.00 34.95 32.87 2hmm s ARG 118 CO -0.03 0.63 -0.06 -0.06 0.02 0.00 0.00 175.30 175.80 2hmm s PHE 119 N -0.88 2.26 -0.20 -0.53 0.40 0.27 -4.99 117.98 114.31 2hmm s PHE 119 Ca 0.14 -1.60 -0.07 0.00 -0.60 0.00 0.00 56.93 54.80 2hmm s PHE 119 Cb -0.11 -1.53 -0.04 0.00 0.51 0.00 0.00 43.02 41.85 2hmm s PHE 119 CO 0.04 -0.74 0.05 0.42 0.70 0.00 0.00 175.22 175.69 2hmm s ILE 120 N 1.44 4.50 0.25 0.64 -1.09 -1.26 -1.21 121.20 124.48 2hmm s ILE 120 Ca -0.04 -0.13 0.02 0.00 -2.23 0.00 0.00 60.65 58.27 2hmm s ILE 120 Cb -0.18 -3.04 -0.04 0.00 -1.58 0.00 0.00 42.46 37.62 2hmm s ILE 120 CO -0.07 0.43 0.18 0.42 -1.23 0.00 0.00 174.94 174.67 2hmm s THR 121 N 0.74 0.06 -1.44 2.92 -4.23 -0.29 -4.95 115.64 108.45 2hmm s THR 121 Ca 0.03 -2.00 -0.08 0.00 -1.18 0.00 0.00 61.69 58.46 2hmm s THR 121 Cb -0.14 -2.51 0.01 0.00 1.34 0.00 0.00 72.50 71.21 2hmm s THR 121 CO 0.02 0.00 0.98 0.59 -0.54 0.00 0.00 174.62 175.67 2hmm n ASN 122 N -0.74 -6.25 -4.71 3.99 4.13 -1.26 -1.01 115.26 109.40 2hmm n ASN 122 Ca 0.03 -0.46 -0.42 0.00 1.68 0.00 0.00 54.58 55.41 2hmm n ASN 122 Cb 0.65 -4.96 -0.03 0.00 -1.54 0.00 0.00 39.78 33.89 2hmm n ASN 122 CO 0.00 0.00 0.00 -0.69 0.28 0.00 0.00 177.26 176.85 2hmm s VAL 123 N -3.27 3.55 0.06 2.41 1.01 -1.26 -4.18 120.40 118.72 2hmm s VAL 123 Ca 0.49 1.10 0.05 0.00 0.00 0.00 0.00 61.98 63.62 2hmm s VAL 123 Cb -0.22 -3.70 -0.03 0.00 0.00 0.00 0.00 36.38 32.43 2hmm s VAL 123 CO 0.61 0.07 -0.14 -1.10 0.00 0.00 0.00 175.10 174.54 2hmm s GLN 124 N 1.27 0.87 -0.00 2.72 -0.21 -0.14 -4.99 119.66 119.18 2hmm s GLN 124 Ca 0.63 -0.86 0.00 0.00 0.02 0.00 0.00 55.36 55.14 2hmm s GLN 124 Cb -0.34 -0.88 0.00 0.00 1.00 0.00 0.00 33.01 32.79 2hmm s GLN 124 CO 0.29 0.21 0.00 0.00 -2.12 0.00 0.00 175.29 173.67 2hmm s ALA 125 N -1.08 0.02 -0.18 6.09 0.00 -1.26 -0.59 121.76 124.77 2hmm s ALA 125 Ca -0.00 0.04 -0.13 0.00 0.00 0.00 0.00 51.96 51.87 2hmm s ALA 125 Cb -0.09 -0.04 0.05 0.00 0.00 0.00 0.00 23.12 23.05 2hmm s ALA 125 CO 0.02 -0.01 0.45 0.00 0.00 0.00 0.00 175.76 176.21 2hmm s ALA 126 N 0.15 -1.13 0.40 0.00 0.00 0.10 -4.72 121.76 116.54 2hmm s ALA 126 Ca -0.01 1.46 -0.25 0.00 0.00 0.00 0.00 51.96 53.16 2hmm s ALA 126 Cb -0.02 -0.87 -0.08 0.00 0.00 0.00 0.00 23.12 22.15 2hmm s ALA 126 CO -0.00 -0.25 1.16 -1.64 0.00 0.00 0.00 175.76 175.03 2hmm s MET 127 N 0.85 4.08 0.40 0.00 -1.94 -1.26 -0.33 119.30 121.10 2hmm s MET 127 Ca -0.05 1.82 -0.27 0.00 -1.71 0.00 0.00 55.69 55.48 2hmm s MET 127 Cb -0.06 -2.68 -0.09 0.00 2.01 0.00 0.00 34.83 34.01 2hmm s MET 127 CO -0.07 -0.29 1.41 0.34 -0.01 0.00 0.00 175.02 176.40 2hmm s ASP 128 N -1.15 6.21 0.16 3.03 2.15 0.47 -4.83 116.67 122.71 2hmm s ASP 128 Ca 0.57 2.90 -0.10 0.00 0.43 0.00 0.00 52.55 56.34 2hmm s ASP 128 Cb -0.30 -2.66 0.04 0.00 -0.30 0.00 0.00 42.92 39.70 2hmm s ASP 128 CO 0.38 -0.94 1.60 0.58 -0.17 0.00 0.00 175.17 176.62 2hmm h VAL 129 N 2.65 1.27 0.00 1.11 2.07 -1.94 -3.35 116.25 118.06 2hmm h VAL 129 Ca -0.50 -1.18 -0.08 0.00 0.82 0.00 0.00 66.70 65.75 2hmm h VAL 129 Cb 1.25 0.93 -0.02 0.00 -1.52 0.00 0.00 31.29 31.94 2hmm h VAL 129 CO 0.63 0.42 -1.94 0.59 0.02 0.00 0.00 177.57 177.29 2hmm n ASN 130 N -4.21 0.72 -4.06 0.57 3.02 -1.26 -4.73 115.26 105.31 2hmm n ASN 130 Ca 0.02 0.00 -0.33 0.00 -0.03 0.00 0.00 54.58 54.23 2hmm n ASN 130 Cb 0.36 1.62 -0.13 0.00 -0.61 0.00 0.00 39.78 41.02 2hmm n ASN 130 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 2hmm s ASP 131 N -4.40 4.96 0.46 6.41 -1.08 -1.26 -4.98 116.67 116.79 2hmm s ASP 131 Ca -0.07 -2.19 0.29 0.00 -0.52 0.00 0.00 52.55 50.05 2hmm s ASP 131 Cb 0.10 -1.72 1.57 0.00 -1.46 0.00 0.00 42.92 41.41 2hmm s ASP 131 CO 0.76 -0.44 1.87 0.11 0.52 0.00 0.00 175.17 177.99 2hmm h LYS 132 N 7.69 0.00 -0.34 4.34 6.56 -1.85 -0.37 116.57 132.61 2hmm h LYS 132 Ca -0.08 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.51 2hmm h LYS 132 Cb 1.02 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 32.68 2hmm h LYS 132 CO 0.61 0.00 0.00 0.39 -2.06 0.00 0.00 179.45 178.39 2hmm n GLU 133 N -2.55 2.28 -3.69 3.15 1.02 -1.26 -4.86 120.64 114.73 2hmm n GLU 133 Ca -0.02 -2.03 -0.37 0.00 -0.02 0.00 0.00 57.16 54.72 2hmm n GLU 133 Cb 0.11 -1.37 -0.12 0.00 -0.02 0.00 0.00 31.44 30.04 2hmm n GLU 133 CO 0.00 0.00 0.00 -1.17 1.18 0.00 0.00 177.13 177.14 2hmm s LEU 134 N -1.14 3.75 -0.27 -4.62 2.96 -0.15 -4.21 118.68 115.01 2hmm s LEU 134 Ca 0.29 -0.24 -0.11 0.00 -0.22 0.00 0.00 54.13 53.86 2hmm s LEU 134 Cb 0.17 -1.99 -0.05 0.00 0.50 0.00 0.00 46.19 44.82 2hmm s LEU 134 CO 0.23 -0.08 0.17 -0.22 -1.32 0.00 0.00 176.35 175.13 2hmm s LEU 135 N 1.65 3.98 -0.08 -0.68 2.96 0.47 -0.40 118.68 126.58 2hmm s LEU 135 Ca 0.06 -0.01 -0.27 0.00 -0.22 0.00 0.00 54.13 53.69 2hmm s LEU 135 Cb -0.16 -2.10 -0.02 0.00 0.50 0.00 0.00 46.19 44.41 2hmm s LEU 135 CO 0.06 -0.03 0.88 -1.00 -1.32 0.00 0.00 176.35 174.94 2hmm s HIS 136 N 1.65 3.55 -0.07 5.38 3.76 0.55 -0.49 115.29 129.62 2hmm s HIS 136 Ca 0.07 1.46 0.01 0.00 -0.15 0.00 0.00 55.06 56.45 2hmm s HIS 136 Cb -0.16 -3.03 0.02 0.00 1.11 0.00 0.00 32.58 30.53 2hmm s HIS 136 CO 0.09 -0.08 -0.09 0.42 -0.85 0.00 0.00 174.74 174.23 2hmm s ILE 137 N 1.43 0.92 -0.02 0.60 1.01 -0.57 -0.72 121.20 123.84 2hmm s ILE 137 Ca 0.44 -0.33 0.02 0.00 0.00 0.00 0.00 60.65 60.79 2hmm s ILE 137 Cb -0.19 -0.89 -0.03 0.00 0.01 0.00 0.00 42.46 41.36 2hmm s ILE 137 CO 0.20 0.32 -0.06 -0.60 0.00 0.00 0.00 174.94 174.79 2hmm s ARG 138 N 0.96 2.65 0.04 2.79 3.52 0.25 -0.97 118.95 128.18 2hmm s ARG 138 Ca -0.10 -0.65 -0.27 0.00 -0.13 0.00 0.00 55.73 54.59 2hmm s ARG 138 Cb -0.15 -2.55 0.08 0.00 -1.56 0.00 0.00 34.95 30.77 2hmm s ARG 138 CO 0.00 0.63 0.70 -1.54 -0.81 0.00 0.00 175.30 174.28 2hmm s SER 139 N -1.20 -0.56 0.06 -2.12 1.04 -0.99 -0.96 113.70 108.97 2hmm s SER 139 Ca 0.16 0.27 0.05 0.00 0.48 0.00 0.00 55.95 56.90 2hmm s SER 139 Cb -0.11 0.53 -0.04 0.00 0.10 0.00 0.00 66.02 66.50 2hmm s SER 139 CO 0.05 -0.76 -0.05 0.20 0.98 0.00 0.00 173.24 173.67 2hmm s ASN 140 N -2.07 4.74 -0.04 7.02 0.01 -0.18 0.18 114.94 124.60 2hmm s ASN 140 Ca -0.03 -0.21 0.03 0.00 -0.71 0.00 0.00 52.86 51.94 2hmm s ASN 140 Cb -0.01 -1.07 0.00 0.00 0.41 0.00 0.00 41.25 40.58 2hmm s ASN 140 CO -0.04 0.22 -0.13 0.54 -1.51 0.00 0.00 177.10 176.18 2hmm s VAL 141 N -1.17 1.13 -0.18 1.60 0.11 0.13 -1.14 120.40 120.88 2hmm s VAL 141 Ca 0.21 -0.55 -0.05 0.00 -2.93 0.00 0.00 61.98 58.67 2hmm s VAL 141 Cb -0.11 -0.99 -0.03 0.00 -1.53 0.00 0.00 36.38 33.72 2hmm s VAL 141 CO 0.13 0.34 0.00 -0.63 -3.33 0.00 0.00 175.10 171.61 2hmm s ILE 142 N 0.14 4.18 -0.17 7.04 1.01 -0.35 -1.78 121.20 131.27 2hmm s ILE 142 Ca -0.04 -0.25 0.01 0.00 0.00 0.00 0.00 60.65 60.37 2hmm s ILE 142 Cb -0.10 -2.86 0.03 0.00 0.01 0.00 0.00 42.46 39.53 2hmm s ILE 142 CO 0.01 0.46 -0.13 -0.22 0.00 0.00 0.00 174.94 175.07 2hmm s LEU 143 N 0.56 1.97 -0.24 2.97 0.20 -0.10 -0.56 118.68 123.48 2hmm s LEU 143 Ca -0.00 -0.67 -0.07 0.00 0.69 0.00 0.00 54.13 54.07 2hmm s LEU 143 Cb -0.14 -1.22 -0.03 0.00 -0.43 0.00 0.00 46.19 44.37 2hmm s LEU 143 CO 0.02 -0.09 0.07 -2.28 -0.29 0.00 0.00 176.35 173.78 2hmm s HIS 144 N 1.43 3.10 -0.16 5.38 5.65 -0.10 -0.66 115.29 129.93 2hmm s HIS 144 Ca 0.02 -0.36 0.01 0.00 0.25 0.00 0.00 55.06 54.98 2hmm s HIS 144 Cb -0.14 -2.22 0.01 0.00 -1.18 0.00 0.00 32.58 29.05 2hmm s HIS 144 CO -0.10 -0.30 -0.18 0.50 -0.65 0.00 0.00 174.74 174.02 2hmm s ARG 145 N 1.45 3.11 -0.04 2.88 3.52 -0.18 -1.25 118.95 128.45 2hmm s ARG 145 Ca 0.06 -0.79 0.06 0.00 -0.13 0.00 0.00 55.73 54.92 2hmm s ARG 145 Cb -0.15 -2.57 -0.01 0.00 -1.56 0.00 0.00 34.95 30.66 2hmm s ARG 145 CO 0.04 -0.05 -0.23 0.00 -0.81 0.00 0.00 175.30 174.25 2hmm s ALA 146 N 0.94 1.97 0.06 6.12 0.00 -0.09 -0.81 121.76 129.95 2hmm s ALA 146 Ca -0.03 -0.98 -0.20 0.00 0.00 0.00 0.00 51.96 50.75 2hmm s ALA 146 Cb -0.15 -0.57 0.04 0.00 0.00 0.00 0.00 23.12 22.45 2hmm s ALA 146 CO -0.03 0.43 0.47 -0.98 0.00 0.00 0.00 175.76 175.64 2hmm s ARG 147 N -0.32 1.01 -1.44 0.00 1.70 -0.39 -1.37 118.95 118.15 2hmm s ARG 147 Ca 0.02 -0.36 -0.09 0.00 -0.47 0.00 0.00 55.73 54.84 2hmm s ARG 147 Cb -0.11 0.45 0.02 0.00 -0.57 0.00 0.00 34.95 34.75 2hmm s ARG 147 CO 0.01 -0.37 0.98 0.54 -1.08 0.00 0.00 175.30 175.38 2hmm n ARG 148 N 0.32 -6.63 0.00 3.89 1.74 -1.26 -1.45 116.66 113.26 2hmm n ARG 148 Ca -0.18 0.80 0.00 0.00 -0.77 0.00 0.00 57.85 57.70 2hmm n ARG 148 Cb 0.61 -5.77 0.00 0.00 -1.02 0.00 0.00 32.46 26.27 2hmm n ARG 148 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2hmm n GLY 149 N -1.81 1.97 0.16 -0.13 0.00 -1.26 -4.30 105.19 99.82 2hmm n GLY 149 Ca -0.02 -0.26 0.01 0.00 0.00 0.00 0.00 46.02 45.76 2hmm n GLY 149 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 2hmm n ASN 150 N 3.44 0.71 -4.65 1.61 0.23 -1.23 -5.02 115.26 110.34 2hmm n ASN 150 Ca 0.00 -1.79 -0.39 0.00 -0.53 0.00 0.00 54.58 51.87 2hmm n ASN 150 Cb 0.00 -0.12 -0.07 0.00 -2.08 0.00 0.00 39.78 37.51 2hmm n ASN 150 CO 0.00 0.00 0.00 -1.58 -0.93 0.00 0.00 177.26 174.75 2hmm s GLN 151 N -0.61 4.16 -0.05 -3.83 0.74 -0.53 -5.01 119.66 114.53 2hmm s GLN 151 Ca 0.05 0.35 -0.01 0.00 0.05 0.00 0.00 55.36 55.80 2hmm s GLN 151 Cb 0.04 -3.58 0.03 0.00 1.10 0.00 0.00 33.01 30.60 2hmm s GLN 151 CO 0.00 -0.17 0.01 0.08 -0.55 0.00 0.00 175.29 174.67 2hmm s VAL 152 N 1.71 0.25 -0.07 1.34 1.01 -1.26 -1.26 120.40 122.11 2hmm s VAL 152 Ca 0.22 0.16 0.03 0.00 0.00 0.00 0.00 61.98 62.38 2hmm s VAL 152 Cb -0.15 -0.41 0.01 0.00 0.00 0.00 0.00 36.38 35.83 2hmm s VAL 152 CO 0.09 0.22 -0.14 -1.81 0.00 0.00 0.00 175.10 173.46 2hmm s ASP 153 N 1.73 2.02 -0.14 3.32 1.01 0.01 -5.01 116.67 119.61 2hmm s ASP 153 Ca 0.01 -0.35 0.02 0.00 0.71 0.00 0.00 52.55 52.94 2hmm s ASP 153 Cb -0.13 -0.93 0.01 0.00 1.01 0.00 0.00 42.92 42.89 2hmm s ASP 153 CO -0.04 0.05 -0.19 -0.69 0.21 0.00 0.00 175.17 174.52 2hmm s VAL 154 N 0.63 1.84 0.01 -1.27 1.01 -1.26 -1.02 120.40 120.34 2hmm s VAL 154 Ca -0.15 -0.84 0.03 0.00 0.00 0.00 0.00 61.98 61.02 2hmm s VAL 154 Cb -0.16 -1.65 -0.03 0.00 0.00 0.00 0.00 36.38 34.53 2hmm s VAL 154 CO 0.04 0.51 -0.05 -0.36 0.00 0.00 0.00 175.10 175.24 2hmm s PHE 155 N 0.99 2.93 -0.04 5.22 0.40 0.16 -4.96 117.98 122.68 2hmm s PHE 155 Ca -0.04 -0.02 0.01 0.00 -0.60 0.00 0.00 56.93 56.28 2hmm s PHE 155 Cb -0.15 -1.62 0.02 0.00 0.51 0.00 0.00 43.02 41.79 2hmm s PHE 155 CO -0.04 0.40 -0.05 0.71 0.70 0.00 0.00 175.22 176.93 2hmm s TYR 156 N -1.03 0.80 0.00 0.36 1.51 -1.26 -0.93 117.35 116.81 2hmm s TYR 156 Ca 0.18 -0.23 -0.28 0.00 -1.01 0.00 0.00 57.07 55.73 2hmm s TYR 156 Cb -0.11 -0.69 0.08 0.00 -0.11 0.00 0.00 41.96 41.14 2hmm s TYR 156 CO 0.08 -0.19 0.74 0.00 -1.11 0.00 0.00 175.55 175.07 2hmm s ALA 157 N 0.85 -1.75 -0.15 3.71 0.00 -0.73 -4.48 121.76 119.22 2hmm s ALA 157 Ca -0.12 1.06 -0.05 0.00 0.00 0.00 0.00 51.96 52.85 2hmm s ALA 157 Cb -0.14 0.22 -0.04 0.00 0.00 0.00 0.00 23.12 23.16 2hmm s ALA 157 CO 0.01 -0.53 0.05 0.00 0.00 0.00 0.00 175.76 175.28 2hmm s ALA 158 N -2.26 3.40 -0.18 0.00 0.00 -1.26 -0.69 121.76 120.76 2hmm s ALA 158 Ca -0.03 -0.75 -0.03 0.00 0.00 0.00 0.00 51.96 51.15 2hmm s ALA 158 Cb -0.01 -1.77 -0.01 0.00 0.00 0.00 0.00 23.12 21.33 2hmm s ALA 158 CO -0.01 0.35 -0.07 1.03 0.00 0.00 0.00 175.76 177.06 2hmm s ARG 159 N -0.16 3.43 -0.45 0.00 0.52 0.13 -4.42 118.95 118.00 2hmm s ARG 159 Ca 0.07 -0.62 -0.13 0.00 -0.52 0.00 0.00 55.73 54.52 2hmm s ARG 159 Cb -0.12 -2.87 0.07 0.00 0.52 0.00 0.00 34.95 32.55 2hmm s ARG 159 CO 0.01 0.01 0.34 -1.21 0.02 0.00 0.00 175.30 174.48 2hmm s GLU 160 N 0.91 2.85 0.12 3.54 2.02 -0.09 -2.35 118.70 125.71 2hmm s GLU 160 Ca -0.01 -1.36 0.06 0.00 0.02 0.00 0.00 54.97 53.68 2hmm s GLU 160 Cb -0.15 -4.00 -0.04 0.00 0.10 0.00 0.00 34.13 30.05 2hmm s GLU 160 CO 0.01 -0.98 0.01 -0.51 0.02 0.00 0.00 175.26 173.81 2hmm s ASP 161 N 2.36 4.97 -0.09 -0.19 1.01 -0.14 -0.88 116.67 123.70 2hmm s ASP 161 Ca 0.04 -0.24 0.04 0.00 0.71 0.00 0.00 52.55 53.09 2hmm s ASP 161 Cb -0.23 -1.15 0.00 0.00 1.01 0.00 0.00 42.92 42.54 2hmm s ASP 161 CO 0.05 0.14 -0.23 -0.54 0.21 0.00 0.00 175.17 174.80 2hmm s LYS 162 N -2.56 2.89 0.04 8.23 1.02 0.39 -1.51 119.74 128.24 2hmm s LYS 162 Ca 0.27 -0.84 0.06 0.00 0.02 0.00 0.00 55.97 55.48 2hmm s LYS 162 Cb -0.11 -2.21 -0.02 0.00 -0.52 0.00 0.00 37.83 34.97 2hmm s LYS 162 CO 0.19 0.18 -0.18 -1.58 -0.92 0.00 0.00 175.35 173.04 2hmm s TRP 163 N 0.33 1.55 -0.02 3.18 0.52 0.36 -0.01 118.94 124.85 2hmm s TRP 163 Ca -0.18 -0.36 -0.07 0.00 0.02 0.00 0.00 56.10 55.52 2hmm s TRP 163 Cb -0.17 -0.93 0.01 0.00 -1.15 0.00 0.00 33.47 31.23 2hmm s TRP 163 CO 0.08 0.06 0.16 0.21 0.02 0.00 0.00 176.95 177.48 2hmm s LYS 164 N -1.11 0.39 0.14 4.98 2.20 0.14 -0.39 119.74 126.07 2hmm s LYS 164 Ca 0.05 -0.16 -0.31 0.00 -0.36 0.00 0.00 55.97 55.18 2hmm s LYS 164 Cb -0.08 0.17 -0.09 0.00 -1.51 0.00 0.00 37.83 36.32 2hmm s LYS 164 CO 0.01 -0.08 1.50 1.03 -0.36 0.00 0.00 175.35 177.45 2hmm s ARG 165 N -0.86 4.25 0.00 4.03 0.52 -1.26 -0.85 118.95 124.79 2hmm s ARG 165 Ca -0.09 2.24 0.00 0.00 -0.52 0.00 0.00 55.73 57.36 2hmm s ARG 165 Cb -0.05 -3.23 0.00 0.00 0.52 0.00 0.00 34.95 32.19 2hmm s ARG 165 CO 0.01 -0.55 0.00 0.41 0.02 0.00 0.00 175.30 175.19 2hmm n GLY 166 N 3.67 4.67 3.67 -3.53 0.00 0.94 -4.90 105.19 109.71 2hmm n GLY 166 Ca 0.13 -1.26 -0.46 0.00 0.00 0.00 0.00 46.02 44.42 2hmm n GLY 166 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 2hmm n GLU 167 N 0.00 2.12 -1.11 1.61 4.07 -1.26 -0.85 120.64 125.21 2hmm n GLU 167 Ca 0.00 0.76 -0.04 0.00 -0.06 0.00 0.00 57.16 57.83 2hmm n GLU 167 Cb 0.00 -2.54 -0.02 0.00 -0.06 0.00 0.00 31.44 28.83 2hmm n GLU 167 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 2hmm n GLY 168 N 3.49 0.62 2.36 8.31 0.00 -1.26 -2.72 105.19 115.99 2hmm n GLY 168 Ca 0.18 -0.27 0.00 0.00 0.00 0.00 0.00 46.02 45.93 2hmm n GLY 168 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2hmm n GLY 169 N -1.53 0.34 3.70 -0.02 0.00 -0.03 -5.01 105.19 102.64 2hmm n GLY 169 Ca -0.04 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.56 2hmm n GLY 169 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2hmm s VAL 170 N -1.70 4.58 0.10 1.61 1.01 -1.10 -4.57 120.40 120.32 2hmm s VAL 170 Ca 0.00 1.86 -0.31 0.00 0.00 0.00 0.00 61.98 63.53 2hmm s VAL 170 Cb 0.00 -4.19 -0.07 0.00 0.00 0.00 0.00 36.38 32.11 2hmm s VAL 170 CO 0.00 0.08 1.37 -0.13 0.00 0.00 0.00 175.10 176.42 2hmm s ARG 171 N 1.50 4.33 0.10 2.72 0.52 -1.26 -0.04 118.95 126.82 2hmm s ARG 171 Ca 0.53 2.04 0.06 0.00 -0.52 0.00 0.00 55.73 57.83 2hmm s ARG 171 Cb -0.22 -3.29 -0.03 0.00 0.52 0.00 0.00 34.95 31.92 2hmm s ARG 171 CO 0.24 -0.43 -0.15 0.15 0.02 0.00 0.00 175.30 175.13 2hmm s LYS 172 N 1.24 0.95 -0.04 3.54 1.02 -0.03 -4.80 119.74 121.62 2hmm s LYS 172 Ca 0.64 -1.12 -0.30 0.00 0.02 0.00 0.00 55.97 55.21 2hmm s LYS 172 Cb -0.36 -0.92 -0.05 0.00 -0.52 0.00 0.00 37.83 35.98 2hmm s LYS 172 CO 0.30 0.19 1.53 -1.17 -0.92 0.00 0.00 175.35 175.28 2hmm s LEU 173 N -2.12 4.31 -0.01 3.17 2.96 0.12 -0.69 118.68 126.42 2hmm s LEU 173 Ca 0.04 2.16 0.11 0.00 -0.22 0.00 0.00 54.13 56.22 2hmm s LEU 173 Cb -0.07 -3.54 -0.15 0.00 0.50 0.00 0.00 46.19 42.92 2hmm s LEU 173 CO 0.03 -0.85 0.35 1.33 -1.32 0.00 0.00 176.35 175.89 2hmm n VAL 174 N 5.17 0.00 -3.66 1.68 0.24 0.99 -0.50 118.33 122.25 2hmm n VAL 174 Ca 0.16 -0.25 -0.11 0.00 -2.04 0.00 0.00 64.34 62.10 2hmm n VAL 174 Cb 0.43 0.58 -0.08 0.00 -1.47 0.00 0.00 33.84 33.30 2hmm n VAL 174 CO 0.00 0.00 0.00 -1.58 -2.14 0.00 0.00 176.83 173.11 2hmm s GLN 175 N -2.46 0.66 -0.08 7.34 0.74 -0.91 -1.69 119.66 123.26 2hmm s GLN 175 Ca -0.00 0.97 0.02 0.00 0.05 0.00 0.00 55.36 56.40 2hmm s GLN 175 Cb 0.08 0.21 0.01 0.00 1.10 0.00 0.00 33.01 34.41 2hmm s GLN 175 CO 0.47 -0.12 -0.13 0.50 -0.55 0.00 0.00 175.29 175.46 2hmm s ARG 176 N 0.97 1.87 -0.10 1.67 3.52 -0.40 -0.46 118.95 126.01 2hmm s ARG 176 Ca -0.05 -0.46 0.02 0.00 -0.13 0.00 0.00 55.73 55.11 2hmm s ARG 176 Cb -0.05 -1.56 0.01 0.00 -1.56 0.00 0.00 34.95 31.79 2hmm s ARG 176 CO -0.09 0.00 -0.17 0.12 -0.81 0.00 0.00 175.30 174.36 2hmm s PHE 177 N 0.76 2.09 -0.06 5.12 5.36 -0.06 -0.64 117.98 130.54 2hmm s PHE 177 Ca -0.12 -0.94 0.01 0.00 -0.96 0.00 0.00 56.93 54.92 2hmm s PHE 177 Cb -0.16 -1.47 0.02 0.00 -0.34 0.00 0.00 43.02 41.07 2hmm s PHE 177 CO 0.03 -0.45 -0.08 0.08 -1.46 0.00 0.00 175.22 173.34 2hmm s VAL 178 N 0.79 0.83 -0.50 3.12 1.01 -0.31 -0.91 120.40 124.43 2hmm s VAL 178 Ca -0.10 -0.28 -0.13 0.00 0.00 0.00 0.00 61.98 61.47 2hmm s VAL 178 Cb -0.16 -0.81 0.12 0.00 0.00 0.00 0.00 36.38 35.53 2hmm s VAL 178 CO 0.01 0.30 0.42 -0.62 0.00 0.00 0.00 175.10 175.21 2hmm s ASP 179 N 0.96 5.98 0.10 3.32 -1.08 -1.26 -0.28 116.67 124.41 2hmm s ASP 179 Ca -0.10 -1.80 -0.31 0.00 -0.52 0.00 0.00 52.55 49.82 2hmm s ASP 179 Cb -0.15 -2.12 -0.08 0.00 -1.46 0.00 0.00 42.92 39.11 2hmm s ASP 179 CO 0.00 -0.77 1.51 -0.47 0.52 0.00 0.00 175.17 175.96 2hmm s TYR 180 N 1.50 2.93 0.01 -5.34 5.04 -0.17 -4.83 117.35 116.49 2hmm s TYR 180 Ca 0.04 0.68 0.25 0.00 -2.44 0.00 0.00 57.07 55.60 2hmm s TYR 180 Cb -0.28 -3.82 0.84 0.00 0.35 0.00 0.00 41.96 39.05 2hmm s TYR 180 CO 0.02 -3.06 1.79 -1.00 -1.34 0.00 0.00 175.55 171.96 2hmm h PRO 181 N 7.32 0.00 -5.11 4.97 0.13 -1.90 -3.42 132.00 133.99 2hmm h PRO 181 Ca -0.42 0.00 -0.62 0.00 -0.87 0.00 0.00 66.00 64.09 2hmm h PRO 181 Cb 1.20 0.00 -0.14 0.00 0.13 0.00 0.00 31.00 32.19 2hmm h PRO 181 CO 0.90 0.17 -0.44 -1.21 -0.23 0.00 0.00 178.00 177.19 2hmm s GLU 182 N -3.51 4.06 -0.01 0.86 2.02 -1.26 -5.00 118.70 115.87 2hmm s GLU 182 Ca 0.02 -0.18 -0.25 0.00 0.02 0.00 0.00 54.97 54.58 2hmm s GLU 182 Cb 0.09 -3.57 -0.19 0.00 0.10 0.00 0.00 34.13 30.56 2hmm s GLU 182 CO 0.63 -0.02 1.29 -0.09 0.02 0.00 0.00 175.26 177.10 2hmm h ARG 183 N 7.68 0.07 -4.58 1.61 9.65 -1.92 -3.41 114.38 123.48 2hmm h ARG 183 Ca -0.37 -0.04 -0.71 0.00 -1.10 0.00 0.00 59.98 57.77 2hmm h ARG 183 Cb 1.17 0.00 -0.21 0.00 -1.39 0.00 0.00 29.97 29.54 2hmm h ARG 183 CO 0.65 0.53 -0.46 0.42 2.80 0.00 0.00 179.97 183.90 2hmm s ILE 184 N -4.30 5.12 0.22 1.20 1.01 -1.26 -5.01 121.20 118.18 2hmm s ILE 184 Ca -0.16 -0.57 -0.30 0.00 0.00 0.00 0.00 60.65 59.62 2hmm s ILE 184 Cb 0.02 -3.78 -0.09 0.00 0.01 0.00 0.00 42.46 38.62 2hmm s ILE 184 CO 0.69 -0.20 1.33 -0.76 0.00 0.00 0.00 174.94 175.99 2hmm s LEU 185 N 1.67 4.41 -0.31 2.97 1.43 -1.26 -4.91 118.68 122.68 2hmm s LEU 185 Ca 0.05 2.46 0.08 0.00 -1.03 0.00 0.00 54.13 55.69 2hmm s LEU 185 Cb -0.19 -3.62 0.48 0.00 0.03 0.00 0.00 46.19 42.90 2hmm s LEU 185 CO 0.09 -0.55 1.41 0.00 0.23 0.00 0.00 176.35 177.54 2hmm n GLN 186 N 2.43 2.24 -0.12 1.70 1.13 -1.26 -4.66 117.38 118.84 2hmm n GLN 186 Ca 0.06 -3.44 0.09 0.00 -1.94 0.00 0.00 57.00 51.77 2hmm n GLN 186 Cb 0.42 -1.92 0.14 0.00 0.11 0.00 0.00 30.24 28.99 2hmm n GLN 186 CO 0.00 0.00 0.00 0.25 -1.44 0.00 0.00 177.06 175.87 2hmm n THR 187 N -1.02 1.80 0.00 5.09 -2.24 -1.26 -4.99 114.28 111.66 2hmm n THR 187 Ca 0.36 -2.19 0.00 0.00 -2.27 0.00 0.00 64.05 59.94 2hmm n THR 187 Cb 0.94 -0.20 0.00 0.00 -2.10 0.00 0.00 70.33 68.97 2hmm n THR 187 CO 0.00 0.00 0.00 1.41 -0.57 0.00 0.00 175.07 175.91 2hmm n HIS 188 N -1.34 0.00 -3.83 4.78 8.25 -1.26 -4.74 115.22 117.07 2hmm n HIS 188 Ca 0.15 0.00 -0.07 0.00 -0.26 0.00 0.00 57.72 57.54 2hmm n HIS 188 Cb 0.65 0.00 0.02 0.00 1.12 0.00 0.00 29.99 31.78 2hmm n HIS 188 CO 0.00 0.00 0.00 0.54 0.64 0.00 0.00 176.34 177.52 2hmm s ASN 189 N 0.00 0.00 -0.39 0.41 2.20 -1.26 -5.04 114.94 110.86 2hmm s ASN 189 Ca 0.00 -0.99 0.05 0.00 -0.94 0.00 0.00 52.86 50.99 2hmm s ASN 189 Cb 0.00 0.73 0.48 0.00 -2.00 0.00 0.00 41.25 40.46 2hmm s ASN 189 CO 0.00 -1.45 1.50 -0.11 -2.94 0.00 0.00 177.10 174.10 2hmm n LEU 190 N -0.59 5.41 -2.22 3.54 0.00 -1.26 -4.90 117.00 116.97 2hmm n LEU 190 Ca -0.06 -4.32 -0.17 0.00 0.00 0.00 0.00 56.01 51.45 2hmm n LEU 190 Cb 0.60 -0.60 -0.14 0.00 0.00 0.00 0.00 43.42 43.28 2hmm n LEU 190 CO 0.25 1.67 1.82 0.23 0.00 0.00 0.00 177.39 181.35 2hmm n MET 191 N -0.90 2.28 -4.20 1.96 2.81 -1.26 -4.78 117.12 113.02 2hmm n MET 191 Ca 0.46 -1.34 -0.17 0.00 -1.81 0.00 0.00 57.70 54.84 2hmm n MET 191 Cb 0.92 -2.11 -0.13 0.00 -0.71 0.00 0.00 33.22 31.19 2hmm n MET 191 CO 0.00 0.00 0.00 0.14 1.51 0.00 0.00 175.97 177.62 2hmm s VAL 192 N 0.67 0.78 -0.59 2.03 -7.23 -1.26 -5.10 120.40 109.69 2hmm s VAL 192 Ca 0.66 -0.89 -0.25 0.00 -1.81 0.00 0.00 61.98 59.69 2hmm s VAL 192 Cb 0.31 -0.74 0.04 0.00 0.56 0.00 0.00 36.38 36.55 2hmm s VAL 192 CO -0.04 -0.12 1.03 -0.36 -0.31 0.00 0.00 175.10 175.31 2hmm s PHE 193 N -0.92 2.68 -2.00 2.82 0.08 -1.26 -5.16 117.98 114.22 2hmm s PHE 193 Ca -0.03 -0.01 0.20 0.00 0.12 0.00 0.00 56.93 57.21 2hmm s PHE 193 Cb -0.08 -4.26 1.17 0.00 -0.57 0.00 0.00 43.02 39.28 2hmm s PHE 193 CO 0.01 -1.53 1.56 1.28 -0.10 0.00 0.00 175.22 176.44