#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3jrm h ARG 5 N 0.00 0.27 -0.90 1.64 3.08 -2.06 -2.35 114.38 114.06 3jrm h ARG 5 Ca 0.00 -0.19 0.08 0.00 0.07 0.00 0.00 59.98 59.94 3jrm h ARG 5 Cb 0.00 0.03 -0.07 0.00 0.08 0.00 0.00 29.97 30.01 3jrm h ARG 5 CO 0.00 0.80 0.56 0.00 -1.07 0.00 0.00 179.97 180.26 3jrm h ALA 6 N 0.47 1.27 -0.97 0.04 0.00 -2.05 -2.06 119.26 115.96 3jrm h ALA 6 Ca -0.00 0.00 0.01 0.00 0.00 0.00 0.00 54.91 54.91 3jrm h ALA 6 Cb 0.81 -0.22 -0.05 0.00 0.00 0.00 0.00 17.79 18.33 3jrm h ALA 6 CO 0.04 0.26 0.63 0.00 0.00 0.00 0.00 179.25 180.18 3jrm h ALA 7 N 1.45 1.23 -0.05 0.00 0.00 -1.94 0.12 119.26 120.06 3jrm h ALA 7 Ca 0.41 -0.08 -0.00 0.00 0.00 0.00 0.00 54.91 55.24 3jrm h ALA 7 Cb 0.26 -0.39 -0.00 0.00 0.00 0.00 0.00 17.79 17.65 3jrm h ALA 7 CO -0.20 0.65 0.03 -0.07 0.00 0.00 0.00 179.25 179.65 3jrm h LEU 8 N 1.33 0.07 -0.81 0.00 3.38 -0.85 0.10 115.31 118.53 3jrm h LEU 8 Ca 0.35 -0.11 0.01 0.00 0.09 0.00 0.00 57.88 58.23 3jrm h LEU 8 Cb -0.12 -0.02 -0.04 0.00 0.09 0.00 0.00 40.66 40.56 3jrm h LEU 8 CO -0.07 0.16 0.53 0.40 0.09 0.00 0.00 178.44 179.55 3jrm h ILE 9 N -0.03 1.19 -0.62 1.22 2.04 -1.06 -2.52 117.51 117.73 3jrm h ILE 9 Ca 0.02 -0.37 -0.06 0.00 1.00 0.00 0.00 64.86 65.45 3jrm h ILE 9 Cb 0.11 0.02 -0.03 0.00 -0.74 0.00 0.00 36.82 36.18 3jrm h ILE 9 CO -0.00 0.20 0.14 -0.61 0.00 0.00 0.00 178.15 177.88 3jrm h GLN 10 N 1.08 1.00 -0.21 2.37 5.75 -0.58 -1.84 115.11 122.67 3jrm h GLN 10 Ca 0.30 -0.25 -0.00 0.00 -0.15 0.00 0.00 58.65 58.56 3jrm h GLN 10 Cb -0.09 -0.13 -0.01 0.00 1.07 0.00 0.00 27.48 28.32 3jrm h GLN 10 CO -0.08 0.92 0.12 -0.91 -2.65 0.00 0.00 178.83 176.23 3jrm h ASN 11 N 0.92 0.26 -0.35 -0.69 2.35 -0.54 0.17 115.58 117.70 3jrm h ASN 11 Ca 0.19 -0.06 0.07 0.00 -0.55 0.00 0.00 56.30 55.96 3jrm h ASN 11 Cb 0.37 -0.07 -0.07 0.00 0.05 0.00 0.00 38.32 38.60 3jrm h ASN 11 CO 0.00 0.24 -0.14 -0.07 -1.65 0.00 0.00 177.43 175.81 3jrm h LEU 12 N 0.25 -0.50 -0.42 1.61 3.38 -1.35 -1.84 115.31 116.44 3jrm h LEU 12 Ca 0.08 0.13 -0.18 0.00 0.09 0.00 0.00 57.88 57.99 3jrm h LEU 12 Cb 0.04 0.28 -0.01 0.00 0.09 0.00 0.00 40.66 41.06 3jrm h LEU 12 CO -0.01 -0.18 -0.77 0.03 0.09 0.00 0.00 178.44 177.60 3jrm h ARG 13 N -0.08 0.23 -0.35 1.13 3.08 -1.03 -2.87 114.38 114.49 3jrm h ARG 13 Ca 0.17 -0.21 -0.05 0.00 0.07 0.00 0.00 59.98 59.96 3jrm h ARG 13 Cb 0.35 0.05 -0.02 0.00 0.08 0.00 0.00 29.97 30.43 3jrm h ARG 13 CO -0.40 0.89 -0.01 -0.44 -1.07 0.00 0.00 179.97 178.94 3jrm h ASP 14 N 0.15 0.51 1.01 7.04 3.32 -0.45 -3.06 116.42 124.94 3jrm h ASP 14 Ca -0.03 -0.10 0.00 0.00 0.02 0.00 0.00 57.03 56.92 3jrm h ASP 14 Cb 1.35 -0.13 0.00 0.00 0.22 0.00 0.00 39.33 40.76 3jrm h ASP 14 CO 0.12 0.59 -0.27 -1.54 -1.72 0.00 0.00 179.24 176.42 3jrm n SER 15 N -4.27 0.53 -3.52 6.45 3.41 -0.71 -4.36 113.62 111.16 3jrm n SER 15 Ca 0.01 0.28 -0.28 0.00 -0.26 0.00 0.00 58.87 58.62 3jrm n SER 15 Cb 0.26 -0.26 -0.11 0.00 -0.26 0.00 0.00 64.21 63.83 3jrm n SER 15 CO 0.00 0.00 0.00 -0.31 -0.16 0.00 0.00 175.04 174.57 3jrm s TYR 16 N -3.08 1.37 0.57 7.33 1.51 -1.10 -5.04 117.35 118.92 3jrm s TYR 16 Ca 0.10 -2.24 0.08 0.00 -1.01 0.00 0.00 57.07 54.00 3jrm s TYR 16 Cb 0.15 -1.25 0.08 0.00 -0.11 0.00 0.00 41.96 40.83 3jrm s TYR 16 CO 0.64 -0.79 0.79 0.95 -1.11 0.00 0.00 175.55 176.02 3jrm s THR 17 N 0.25 2.27 0.50 -0.71 -4.23 -1.24 -4.68 115.64 107.81 3jrm s THR 17 Ca 0.25 -0.94 0.32 0.00 -1.18 0.00 0.00 61.69 60.15 3jrm s THR 17 Cb -0.10 -2.34 0.35 0.00 1.34 0.00 0.00 72.50 71.76 3jrm s THR 17 CO -0.10 0.00 2.19 -0.08 -0.54 0.00 0.00 174.62 176.08 3jrm h GLU 18 N 0.14 0.00 -0.11 3.99 4.22 -1.96 -1.40 114.58 119.46 3jrm h GLU 18 Ca -0.32 0.00 -0.11 0.00 0.08 0.00 0.00 59.36 59.00 3jrm h GLU 18 Cb 1.28 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.52 3jrm h GLU 18 CO 0.41 0.05 -0.43 1.15 -2.18 0.00 0.00 179.01 178.01 3jrm h THR 19 N 0.00 1.32 -0.35 0.32 2.02 -1.98 -0.67 112.91 113.57 3jrm h THR 19 Ca -0.00 -1.58 -0.01 0.00 0.77 0.00 0.00 66.41 65.59 3jrm h THR 19 Cb 0.18 1.71 -0.02 0.00 -1.74 0.00 0.00 68.15 68.28 3jrm h THR 19 CO 0.01 0.47 0.17 0.28 0.37 0.00 0.00 175.52 176.82 3jrm h SER 20 N 0.22 0.46 0.34 4.18 0.02 -1.62 0.19 113.55 117.35 3jrm h SER 20 Ca 0.02 -0.12 -0.14 0.00 -0.84 0.00 0.00 61.79 60.70 3jrm h SER 20 Cb 0.86 -0.12 -0.01 0.00 0.14 0.00 0.00 62.40 63.27 3jrm h SER 20 CO 0.07 0.46 -0.59 0.77 -1.14 0.00 0.00 176.83 176.40 3jrm h SER 21 N 0.44 0.28 -0.30 3.07 4.64 -1.51 -2.85 113.55 117.31 3jrm h SER 21 Ca 0.12 -0.15 -0.14 0.00 -0.47 0.00 0.00 61.79 61.14 3jrm h SER 21 Cb 0.12 -0.08 -0.00 0.00 -0.31 0.00 0.00 62.40 62.12 3jrm h SER 21 CO -0.02 0.80 -0.37 0.15 -0.87 0.00 0.00 176.83 176.53 3jrm h PHE 22 N 0.18 0.95 -0.71 4.77 3.57 -0.87 -2.53 116.94 122.31 3jrm h PHE 22 Ca -0.00 -0.30 0.15 0.00 3.53 0.00 0.00 57.97 61.35 3jrm h PHE 22 Cb 1.08 -0.19 -0.11 0.00 2.79 0.00 0.00 35.95 39.52 3jrm h PHE 22 CO 0.02 1.09 0.15 0.00 -2.23 0.00 0.00 178.31 177.33 3jrm h ALA 23 N 0.70 0.88 -0.39 2.41 0.00 -0.54 -0.11 119.26 122.22 3jrm h ALA 23 Ca 0.04 0.17 -0.02 0.00 0.00 0.00 0.00 54.91 55.09 3jrm h ALA 23 Cb 0.96 0.24 -0.02 0.00 0.00 0.00 0.00 17.79 18.97 3jrm h ALA 23 CO 0.09 -0.34 0.15 0.28 0.00 0.00 0.00 179.25 179.43 3jrm h VAL 24 N 0.25 1.20 -0.44 0.00 2.07 -1.39 -2.57 116.25 115.36 3jrm h VAL 24 Ca 0.39 -0.61 -0.09 0.00 0.82 0.00 0.00 66.70 67.22 3jrm h VAL 24 Cb 0.66 0.87 -0.02 0.00 -1.52 0.00 0.00 31.29 31.29 3jrm h VAL 24 CO -0.51 0.22 -0.08 0.40 0.02 0.00 0.00 177.57 177.62 3jrm h ILE 25 N 0.48 1.25 -0.61 4.57 1.08 -0.85 0.56 117.51 123.99 3jrm h ILE 25 Ca 0.13 -1.13 -0.04 0.00 -0.39 0.00 0.00 64.86 63.43 3jrm h ILE 25 Cb 0.20 1.01 -0.03 0.00 -3.07 0.00 0.00 36.82 34.92 3jrm h ILE 25 CO -0.01 0.39 0.23 -0.33 -0.69 0.00 0.00 178.15 177.74 3jrm h GLU 26 N 0.71 0.92 -0.20 2.37 5.08 -0.99 -1.24 114.58 121.22 3jrm h GLU 26 Ca 0.13 -0.17 -0.01 0.00 -1.00 0.00 0.00 59.36 58.30 3jrm h GLU 26 Cb 0.56 -0.15 -0.01 0.00 0.50 0.00 0.00 28.75 29.65 3jrm h GLU 26 CO 0.03 0.79 0.08 1.49 -1.00 0.00 0.00 179.01 180.40 3jrm h GLU 27 N 0.85 0.30 -0.92 2.33 4.57 -1.13 -2.44 114.58 118.15 3jrm h GLU 27 Ca 0.20 -0.06 0.05 0.00 -1.18 0.00 0.00 59.36 58.37 3jrm h GLU 27 Cb 0.22 -0.05 -0.06 0.00 -0.16 0.00 0.00 28.75 28.71 3jrm h GLU 27 CO -0.01 0.37 0.60 -1.49 -1.18 0.00 0.00 179.01 177.29 3jrm h TRP 28 N 0.18 1.09 -0.07 0.92 4.06 -0.67 -1.86 115.95 119.60 3jrm h TRP 28 Ca 0.07 0.03 -0.12 0.00 2.06 0.00 0.00 58.89 60.93 3jrm h TRP 28 Cb 0.18 -0.36 -0.01 0.00 -1.00 0.00 0.00 29.16 27.96 3jrm h TRP 28 CO -0.01 0.61 -0.49 0.00 -3.56 0.00 0.00 178.44 174.99 3jrm h ALA 29 N 1.48 1.06 -3.00 1.49 0.00 -1.10 -3.06 119.26 116.13 3jrm h ALA 29 Ca 0.37 -0.46 0.00 0.00 0.00 0.00 0.00 54.91 54.82 3jrm h ALA 29 Cb 0.08 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.79 3jrm h ALA 29 CO -0.12 0.64 0.00 0.00 0.00 0.00 0.00 179.25 179.76 3jrm n ALA 30 N -2.46 0.03 -0.07 0.00 0.00 -0.91 -4.74 120.51 112.35 3jrm n ALA 30 Ca -0.02 0.00 -0.08 0.00 0.00 0.00 0.00 53.44 53.34 3jrm n ALA 30 Cb 0.53 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.96 3jrm n ALA 30 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 3jrm h GLY 31 N 0.00 -0.23 0.99 0.00 0.00 -1.65 -3.09 103.07 99.09 3jrm h GLY 31 Ca 0.00 0.36 0.00 0.00 0.00 0.00 0.00 47.33 47.69 3jrm h GLY 31 CO 0.00 -0.21 0.16 -0.84 0.00 0.00 0.00 176.54 175.65 3jrm h THR 32 N -0.27 1.07 -0.13 4.70 2.02 -1.51 -0.22 112.91 118.57 3jrm h THR 32 Ca 0.15 -0.16 -0.05 0.00 0.77 0.00 0.00 66.41 67.12 3jrm h THR 32 Cb 0.51 0.74 -0.01 0.00 -1.74 0.00 0.00 68.15 67.65 3jrm h THR 32 CO -0.44 0.07 -0.13 -0.07 0.37 0.00 0.00 175.52 175.31 3jrm h LEU 33 N 0.32 0.20 -0.03 2.58 3.38 -1.57 -0.64 115.31 119.55 3jrm h LEU 33 Ca 0.09 -0.04 -0.00 0.00 0.09 0.00 0.00 57.88 58.02 3jrm h LEU 33 Cb -0.02 -0.05 -0.00 0.00 0.09 0.00 0.00 40.66 40.68 3jrm h LEU 33 CO -0.02 0.36 0.00 1.56 0.09 0.00 0.00 178.44 180.43 3jrm h GLN 34 N 0.20 0.04 -0.79 1.13 4.20 -1.28 -2.02 115.11 116.59 3jrm h GLN 34 Ca 0.04 -0.01 0.03 0.00 0.06 0.00 0.00 58.65 58.77 3jrm h GLN 34 Cb 0.37 -0.00 -0.05 0.00 0.30 0.00 0.00 27.48 28.09 3jrm h GLN 34 CO 0.02 0.30 0.50 1.49 -0.67 0.00 0.00 178.83 180.47 3jrm h GLU 35 N -0.22 0.94 -0.55 1.46 4.57 -0.58 -1.17 114.58 119.02 3jrm h GLU 35 Ca 0.01 -0.06 0.02 0.00 -1.18 0.00 0.00 59.36 58.15 3jrm h GLU 35 Cb 0.28 -0.21 -0.04 0.00 -0.16 0.00 0.00 28.75 28.62 3jrm h GLU 35 CO 0.00 0.62 0.34 0.82 -1.18 0.00 0.00 179.01 179.61 3jrm h ILE 36 N 0.97 1.07 -0.27 2.32 2.04 -1.11 -1.28 117.51 121.24 3jrm h ILE 36 Ca 0.32 -0.23 0.06 0.00 1.00 0.00 0.00 64.86 66.01 3jrm h ILE 36 Cb 0.02 0.34 -0.06 0.00 -0.74 0.00 0.00 36.82 36.38 3jrm h ILE 36 CO -0.12 0.12 -0.13 -0.33 0.00 0.00 0.00 178.15 177.70 3jrm h GLU 37 N 0.67 -0.08 -0.63 2.37 4.39 -0.72 -1.34 114.58 119.24 3jrm h GLU 37 Ca 0.22 0.01 0.02 0.00 0.34 0.00 0.00 59.36 59.94 3jrm h GLU 37 Cb 0.01 0.02 -0.04 0.00 -0.10 0.00 0.00 28.75 28.65 3jrm h GLU 37 CO -0.09 -0.06 0.41 0.78 -1.16 0.00 0.00 179.01 178.89 3jrm h GLY 38 N -0.09 0.90 1.01 -3.84 0.00 -0.70 -0.91 103.07 99.45 3jrm h GLY 38 Ca 0.14 -0.31 0.00 0.00 0.00 0.00 0.00 47.33 47.16 3jrm h GLY 38 CO -0.33 0.29 0.58 -2.22 0.00 0.00 0.00 176.54 174.86 3jrm h ILE 39 N 0.82 1.25 -0.72 2.60 2.04 -1.03 0.21 117.51 122.68 3jrm h ILE 39 Ca 0.24 -0.50 -0.01 0.00 1.00 0.00 0.00 64.86 65.59 3jrm h ILE 39 Cb -0.04 -0.08 -0.03 0.00 -0.74 0.00 0.00 36.82 35.92 3jrm h ILE 39 CO -0.07 0.25 0.41 0.00 0.00 0.00 0.00 178.15 178.73 3jrm h ALA 40 N 1.32 0.92 -0.15 1.87 0.00 -0.40 -0.85 119.26 121.97 3jrm h ALA 40 Ca 0.33 -0.10 -0.23 0.00 0.00 0.00 0.00 54.91 54.91 3jrm h ALA 40 Cb -0.10 -0.29 0.01 0.00 0.00 0.00 0.00 17.79 17.42 3jrm h ALA 40 CO -0.07 0.42 -0.79 0.87 0.00 0.00 0.00 179.25 179.68 3jrm h LYS 41 N 0.98 0.79 -0.38 0.00 1.79 -0.59 -1.54 116.57 117.63 3jrm h LYS 41 Ca 0.25 -0.66 0.07 0.00 -2.18 0.00 0.00 60.65 58.13 3jrm h LYS 41 Cb 0.01 0.14 -0.06 0.00 -1.58 0.00 0.00 32.23 30.74 3jrm h LYS 41 CO -0.04 1.26 -0.01 0.00 -1.08 0.00 0.00 179.45 179.58 3jrm h ALA 42 N 0.54 0.33 -0.60 3.86 0.00 -0.44 -1.54 119.26 121.42 3jrm h ALA 42 Ca -0.06 0.11 -0.06 0.00 0.00 0.00 0.00 54.91 54.90 3jrm h ALA 42 Cb 1.42 0.20 -0.02 0.00 0.00 0.00 0.00 17.79 19.38 3jrm h ALA 42 CO 0.16 -0.40 0.13 0.00 0.00 0.00 0.00 179.25 179.14 3jrm h ALA 43 N 1.34 0.79 -0.33 0.00 0.00 -1.04 -1.83 119.26 118.19 3jrm h ALA 43 Ca 0.18 -0.24 -0.10 0.00 0.00 0.00 0.00 54.91 54.76 3jrm h ALA 43 Cb 0.26 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.81 3jrm h ALA 43 CO -0.32 0.51 -0.22 0.00 0.00 0.00 0.00 179.25 179.23 3jrm h ALA 44 N 1.03 1.01 -0.01 0.00 0.00 -1.06 -0.67 119.26 119.55 3jrm h ALA 44 Ca 0.19 -0.35 -0.00 0.00 0.00 0.00 0.00 54.91 54.75 3jrm h ALA 44 Cb 0.37 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 18.02 3jrm h ALA 44 CO 0.00 0.59 0.00 1.49 0.00 0.00 0.00 179.25 181.33 3jrm h GLU 45 N 0.56 0.02 -0.95 0.00 4.22 -1.12 -2.28 114.58 115.02 3jrm h GLU 45 Ca 0.08 -0.01 0.07 0.00 0.08 0.00 0.00 59.36 59.59 3jrm h GLU 45 Cb 0.68 -0.00 -0.07 0.00 0.50 0.00 0.00 28.75 29.86 3jrm h GLU 45 CO 0.05 0.32 0.61 0.00 -2.18 0.00 0.00 179.01 177.81 3jrm h ALA 46 N 0.70 1.49 -0.71 2.92 0.00 -1.17 -1.64 119.26 120.85 3jrm h ALA 46 Ca 0.00 -0.02 0.01 0.00 0.00 0.00 0.00 54.91 54.90 3jrm h ALA 46 Cb 0.31 -0.27 -0.04 0.00 0.00 0.00 0.00 17.79 17.80 3jrm h ALA 46 CO 0.00 0.35 0.47 1.25 0.00 0.00 0.00 179.25 181.32 3jrm h HIS 47 N 1.06 0.90 -0.22 0.00 -0.00 -0.92 -2.11 115.15 113.85 3jrm h HIS 47 Ca 0.42 0.02 -0.04 0.00 -0.00 0.00 0.00 60.37 60.77 3jrm h HIS 47 Cb 0.24 -0.30 -0.01 0.00 -0.00 0.00 0.00 27.41 27.34 3jrm h HIS 47 CO -0.00 0.57 -0.01 0.78 -0.00 0.00 0.00 177.93 179.27 3jrm h GLY 48 N 0.97 0.43 0.40 5.26 0.00 -0.72 -1.23 103.07 108.18 3jrm h GLY 48 Ca 0.26 -0.32 0.07 0.00 0.00 0.00 0.00 47.33 47.34 3jrm h GLY 48 CO -0.06 0.29 0.04 -2.08 0.00 0.00 0.00 176.54 174.74 3jrm h VAL 49 N 0.16 0.73 -0.47 4.60 2.07 -1.17 -2.10 116.25 120.08 3jrm h VAL 49 Ca 0.06 -0.05 -0.12 0.00 0.82 0.00 0.00 66.70 67.40 3jrm h VAL 49 Cb 0.42 0.56 -0.01 0.00 -1.52 0.00 0.00 31.29 30.73 3jrm h VAL 49 CO 0.01 0.03 -0.20 0.40 0.02 0.00 0.00 177.57 177.84 3jrm h ILE 50 N 0.16 1.27 -1.00 4.57 2.04 -1.30 -2.95 117.51 120.29 3jrm h ILE 50 Ca 0.21 -1.34 0.03 0.00 1.00 0.00 0.00 64.86 64.76 3jrm h ILE 50 Cb 0.28 1.12 -0.06 0.00 -0.74 0.00 0.00 36.82 37.41 3jrm h ILE 50 CO -0.31 0.46 0.66 -0.09 0.00 0.00 0.00 178.15 178.87 3jrm h ARG 51 N 0.81 1.24 0.00 2.37 2.43 -0.79 -1.84 114.38 118.60 3jrm h ARG 51 Ca 0.11 -0.07 0.00 0.00 -0.81 0.00 0.00 59.98 59.21 3jrm h ARG 51 Cb 0.75 -0.28 0.00 0.00 -0.42 0.00 0.00 29.97 30.02 3jrm h ARG 51 CO 0.06 0.82 0.00 0.09 -1.51 0.00 0.00 179.97 179.43 3jrm n ASN 52 N -4.43 0.00 -4.82 -3.80 3.02 -0.83 -4.89 115.26 99.50 3jrm n ASN 52 Ca 0.13 -1.70 -0.32 0.00 -0.03 0.00 0.00 54.58 52.66 3jrm n ASN 52 Cb 0.08 0.00 -0.06 0.00 -0.61 0.00 0.00 39.78 39.19 3jrm n ASN 52 CO 0.00 0.00 0.00 -0.44 -2.62 0.00 0.00 177.26 174.20 3jrm s SER 53 N -1.28 5.86 -0.17 6.41 0.01 -0.69 -5.08 113.70 118.75 3jrm s SER 53 Ca 0.13 0.15 -0.06 0.00 1.31 0.00 0.00 55.95 57.48 3jrm s SER 53 Cb 0.06 -1.70 -0.04 0.00 0.21 0.00 0.00 66.02 64.56 3jrm s SER 53 CO 0.10 0.22 0.02 -0.89 0.41 0.00 0.00 173.24 173.10 3jrm s THR 54 N -1.34 4.45 -0.15 1.44 2.01 -1.26 -5.04 115.64 115.75 3jrm s THR 54 Ca 0.28 -0.16 -0.11 0.00 0.31 0.00 0.00 61.69 62.01 3jrm s THR 54 Cb -0.12 -2.98 -0.05 0.00 0.01 0.00 0.00 72.50 69.36 3jrm s THR 54 CO 0.20 0.48 0.20 -0.31 -0.69 0.00 0.00 174.62 174.51 3jrm s TYR 55 N 0.26 3.50 0.52 4.92 1.51 -1.26 -5.06 117.35 121.74 3jrm s TYR 55 Ca 0.01 0.51 0.01 0.00 -1.01 0.00 0.00 57.07 56.59 3jrm s TYR 55 Cb -0.13 -2.17 -0.01 0.00 -0.11 0.00 0.00 41.96 39.55 3jrm s TYR 55 CO 0.01 0.41 0.00 0.20 -1.11 0.00 0.00 175.55 175.07 3jrm s GLY 56 N -0.06 3.07 0.55 0.71 0.00 -1.26 -4.95 107.32 105.38 3jrm s GLY 56 Ca 0.13 -0.21 0.34 0.00 0.00 0.00 0.00 44.72 44.98 3jrm s GLY 56 CO 0.02 -2.21 1.84 -0.09 0.00 0.00 0.00 173.10 172.66 3jrm h ARG 57 N 1.31 0.00 -0.97 2.90 2.43 -1.98 0.75 114.38 118.82 3jrm h ARG 57 Ca -0.44 0.00 0.21 0.00 -0.81 0.00 0.00 59.98 58.94 3jrm h ARG 57 Cb 1.32 0.00 -0.08 0.00 -0.42 0.00 0.00 29.97 30.79 3jrm h ARG 57 CO 0.74 0.00 0.62 0.00 -1.51 0.00 0.00 179.97 179.82 3jrm h ALA 58 N 1.45 2.06 0.00 2.80 0.00 -2.00 -1.86 119.26 121.71 3jrm h ALA 58 Ca 0.47 0.04 -0.04 0.00 0.00 0.00 0.00 54.91 55.39 3jrm h ALA 58 Cb 1.95 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 19.70 3jrm h ALA 58 CO -0.00 -0.39 -0.18 1.96 0.00 0.00 0.00 179.25 180.63 3jrm h GLN 59 N 0.51 0.00 0.00 0.00 7.50 -1.19 -2.40 115.11 119.54 3jrm h GLN 59 Ca 0.53 0.00 0.00 0.00 0.50 0.00 0.00 58.65 59.68 3jrm h GLN 59 Cb 1.16 0.00 0.00 0.00 0.05 0.00 0.00 27.48 28.69 3jrm h GLN 59 CO -0.26 0.18 0.00 0.00 -1.50 0.00 0.00 178.83 177.25 3jrm n ALA 60 N -2.19 2.15 1.03 3.87 0.00 -0.70 -3.63 120.51 121.04 3jrm n ALA 60 Ca 0.01 -0.09 0.11 0.00 0.00 0.00 0.00 53.44 53.47 3jrm n ALA 60 Cb 0.43 -1.40 0.05 0.00 0.00 0.00 0.00 19.45 18.53 3jrm n ALA 60 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 3jrm n GLU 61 N -1.47 0.47 -3.84 0.00 1.02 -0.90 -4.88 120.64 111.03 3jrm n GLU 61 Ca 0.07 -0.36 -0.12 0.00 -0.02 0.00 0.00 57.16 56.73 3jrm n GLU 61 Cb 0.28 -1.49 -0.13 0.00 -0.02 0.00 0.00 31.44 30.07 3jrm n GLU 61 CO 0.00 0.00 0.00 0.21 1.18 0.00 0.00 177.13 178.52 3jrm s LYS 62 N -2.78 0.09 -0.26 3.49 2.20 -1.24 -5.13 119.74 116.11 3jrm s LYS 62 Ca 0.14 0.12 -0.23 0.00 -0.36 0.00 0.00 55.97 55.63 3jrm s LYS 62 Cb 0.17 0.04 -0.01 0.00 -1.51 0.00 0.00 37.83 36.52 3jrm s LYS 62 CO 0.71 -0.02 0.78 -1.12 -0.36 0.00 0.00 175.35 175.34 3jrm s SER 63 N 0.09 6.74 -0.15 1.43 0.01 -1.26 -4.90 113.70 115.66 3jrm s SER 63 Ca -0.00 0.87 -0.30 0.00 1.31 0.00 0.00 55.95 57.83 3jrm s SER 63 Cb -0.01 -2.41 -0.07 0.00 0.21 0.00 0.00 66.02 63.74 3jrm s SER 63 CO -0.00 -0.52 2.12 -2.65 0.41 0.00 0.00 173.24 172.61 3jrm n PRO 64 N 6.01 2.15 0.27 12.44 -0.02 -1.26 -4.87 135.00 149.71 3jrm n PRO 64 Ca 0.04 0.68 0.15 0.00 -2.02 0.00 0.00 63.50 62.34 3jrm n PRO 64 Cb 0.48 -3.04 0.70 0.00 -0.02 0.00 0.00 33.50 31.62 3jrm n PRO 64 CO 0.00 0.00 0.00 0.93 1.98 0.00 0.00 175.50 178.41 3jrm h GLU 65 N 13.03 0.00 -0.44 -0.52 5.08 -1.99 -2.49 114.58 127.24 3jrm h GLU 65 Ca -0.43 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 57.92 3jrm h GLU 65 Cb 1.25 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.48 3jrm h GLU 65 CO 0.96 0.09 0.23 0.37 -1.00 0.00 0.00 179.01 179.67 3jrm h GLN 66 N 0.00 0.63 -0.29 2.33 4.15 -2.00 -2.06 115.11 117.87 3jrm h GLN 66 Ca -0.00 -0.08 -0.14 0.00 0.77 0.00 0.00 58.65 59.20 3jrm h GLN 66 Cb 0.46 -0.12 -0.00 0.00 0.21 0.00 0.00 27.48 28.03 3jrm h GLN 66 CO 0.01 0.51 -0.35 -0.07 -1.93 0.00 0.00 178.83 177.00 3jrm h LEU 67 N 0.58 0.81 -1.12 -2.39 3.38 -1.85 -2.41 115.31 112.31 3jrm h LEU 67 Ca 0.16 -0.49 0.06 0.00 0.09 0.00 0.00 57.88 57.69 3jrm h LEU 67 Cb 0.07 -0.23 -0.06 0.00 0.09 0.00 0.00 40.66 40.53 3jrm h LEU 67 CO -0.02 1.14 0.60 -0.07 0.09 0.00 0.00 178.44 180.18 3jrm h LEU 68 N 0.50 0.93 -0.17 1.67 3.38 -1.50 -0.91 115.31 119.21 3jrm h LEU 68 Ca 0.04 0.01 -0.03 0.00 0.09 0.00 0.00 57.88 57.98 3jrm h LEU 68 Cb 0.94 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 41.49 3jrm h LEU 68 CO 0.08 0.60 -0.01 1.23 0.09 0.00 0.00 178.44 180.44 3jrm h GLY 69 N 1.06 0.34 0.90 0.83 0.00 -1.19 0.63 103.07 105.63 3jrm h GLY 69 Ca 0.39 -0.25 0.02 0.00 0.00 0.00 0.00 47.33 47.49 3jrm h GLY 69 CO -0.15 0.23 0.17 -2.08 0.00 0.00 0.00 176.54 174.72 3jrm h VAL 70 N 0.05 1.02 -0.53 4.60 2.07 -1.20 -1.55 116.25 120.70 3jrm h VAL 70 Ca 0.05 -0.12 -0.05 0.00 0.82 0.00 0.00 66.70 67.40 3jrm h VAL 70 Cb 0.41 0.62 -0.02 0.00 -1.52 0.00 0.00 31.29 30.78 3jrm h VAL 70 CO 0.01 0.07 0.14 -0.07 0.02 0.00 0.00 177.57 177.74 3jrm h LEU 71 N 0.36 0.79 -1.47 2.57 3.38 -1.01 -1.85 115.31 118.08 3jrm h LEU 71 Ca 0.13 -0.22 -0.04 0.00 0.09 0.00 0.00 57.88 57.83 3jrm h LEU 71 Cb 0.02 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 40.55 3jrm h LEU 71 CO -0.07 0.80 -0.09 -0.61 0.09 0.00 0.00 178.44 178.57 3jrm h GLN 72 N 0.73 0.24 -0.25 1.13 5.75 -0.72 -1.52 115.11 120.46 3jrm h GLN 72 Ca 0.17 -0.05 -0.20 0.00 -0.15 0.00 0.00 58.65 58.42 3jrm h GLN 72 Cb 0.31 -0.04 0.00 0.00 1.07 0.00 0.00 27.48 28.83 3jrm h GLN 72 CO -0.00 0.34 -0.61 -0.09 -2.65 0.00 0.00 178.83 175.82 3jrm h ARG 73 N 0.23 0.84 -0.49 1.69 2.43 -0.82 -1.70 114.38 116.57 3jrm h ARG 73 Ca 0.05 -0.57 -0.07 0.00 -0.81 0.00 0.00 59.98 58.57 3jrm h ARG 73 Cb 0.30 0.08 -0.02 0.00 -0.42 0.00 0.00 29.97 29.92 3jrm h ARG 73 CO 0.02 1.20 0.02 -0.92 -1.51 0.00 0.00 179.97 178.77 3jrm h TYR 74 N 0.63 0.93 -0.32 2.20 3.20 -1.06 -2.43 116.97 120.13 3jrm h TYR 74 Ca -0.00 -0.16 -0.04 0.00 3.14 0.00 0.00 58.73 61.67 3jrm h TYR 74 Cb 1.22 -0.24 -0.02 0.00 1.54 0.00 0.00 36.73 39.23 3jrm h TYR 74 CO 0.07 0.87 0.02 0.37 -1.64 0.00 0.00 178.16 177.86 3jrm h GLN 75 N 0.72 0.48 -0.31 1.82 4.15 -1.12 -0.79 115.11 120.06 3jrm h GLN 75 Ca 0.14 -0.09 -0.17 0.00 0.77 0.00 0.00 58.65 59.30 3jrm h GLN 75 Cb 0.49 -0.08 -0.00 0.00 0.21 0.00 0.00 27.48 28.10 3jrm h GLN 75 CO 0.02 0.49 -0.48 -0.44 -1.93 0.00 0.00 178.83 176.50 3jrm h ASP 76 N 0.47 0.92 0.06 -0.69 3.32 -1.20 -1.11 116.42 118.19 3jrm h ASP 76 Ca 0.11 -0.46 -0.00 0.00 0.02 0.00 0.00 57.03 56.69 3jrm h ASP 76 Cb 0.27 -0.26 0.00 0.00 0.22 0.00 0.00 39.33 39.56 3jrm h ASP 76 CO 0.01 1.24 -0.03 0.25 -1.72 0.00 0.00 179.24 178.99 3jrm h LEU 77 N 0.67 -0.06 -0.76 1.55 5.85 -1.03 -2.44 115.31 119.09 3jrm h LEU 77 Ca 0.03 -0.20 0.12 0.00 0.84 0.00 0.00 57.88 58.67 3jrm h LEU 77 Cb 1.07 0.02 -0.08 0.00 0.37 0.00 0.00 40.66 42.03 3jrm h LEU 77 CO 0.11 0.17 0.36 0.00 -0.34 0.00 0.00 178.44 178.73 3jrm h HIS 79 N 0.56 -0.06 -0.43 0.00 -0.00 -1.13 -0.82 115.15 113.27 3jrm h HIS 79 Ca 0.40 0.02 -0.06 0.00 -0.00 0.00 0.00 60.37 60.73 3jrm h HIS 79 Cb 0.52 0.07 -0.02 0.00 -0.00 0.00 0.00 27.41 27.98 3jrm h HIS 79 CO -0.12 -0.08 0.04 -0.91 -0.00 0.00 0.00 177.93 176.86 3jrm h ASN 80 N 0.06 0.71 -0.81 3.26 2.35 -0.82 -2.36 115.58 117.97 3jrm h ASN 80 Ca 0.15 -0.28 -0.02 0.00 -0.55 0.00 0.00 56.30 55.60 3jrm h ASN 80 Cb 0.20 -0.19 -0.04 0.00 0.05 0.00 0.00 38.32 38.35 3jrm h ASN 80 CO -0.26 0.81 0.44 0.58 -1.65 0.00 0.00 177.43 177.35 3jrm h VAL 81 N 0.58 1.24 -0.24 2.81 2.07 -0.83 -0.73 116.25 121.15 3jrm h VAL 81 Ca 0.13 -0.60 -0.01 0.00 0.82 0.00 0.00 66.70 67.04 3jrm h VAL 81 Cb 0.42 0.14 -0.01 0.00 -1.52 0.00 0.00 31.29 30.32 3jrm h VAL 81 CO 0.01 0.27 0.12 0.22 0.02 0.00 0.00 177.57 178.21 3jrm h TYR 82 N 1.14 0.34 -0.45 1.57 3.20 -1.02 0.31 116.97 122.06 3jrm h TYR 82 Ca 0.29 -0.01 -0.08 0.00 3.14 0.00 0.00 58.73 62.07 3jrm h TYR 82 Cb 0.03 -0.11 -0.02 0.00 1.54 0.00 0.00 36.73 38.18 3jrm h TYR 82 CO 0.01 0.32 -0.04 0.00 -1.64 0.00 0.00 178.16 176.81 3jrm h GLN 84 N 0.70 0.57 -0.84 0.00 4.20 -0.97 -2.85 115.11 115.92 3jrm h GLN 84 Ca 0.13 -0.35 0.11 0.00 0.06 0.00 0.00 58.65 58.61 3jrm h GLN 84 Cb 0.48 0.04 -0.08 0.00 0.30 0.00 0.00 27.48 28.22 3jrm h GLN 84 CO 0.02 0.96 0.47 0.00 -0.67 0.00 0.00 178.83 179.61 3jrm h ALA 85 N 0.61 1.23 0.00 3.87 0.00 -0.16 -1.60 119.26 123.20 3jrm h ALA 85 Ca 0.01 0.05 -0.05 0.00 0.00 0.00 0.00 54.91 54.93 3jrm h ALA 85 Cb 0.91 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.60 3jrm h ALA 85 CO 0.07 0.03 -0.22 0.93 0.00 0.00 0.00 179.25 180.07 3jrm h GLU 86 N 0.74 0.00 -0.37 0.00 4.39 -1.15 -0.99 114.58 117.21 3jrm h GLU 86 Ca 0.43 0.00 -0.03 0.00 0.34 0.00 0.00 59.36 60.09 3jrm h GLU 86 Cb 0.47 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 29.11 3jrm h GLU 86 CO -0.29 0.22 0.09 1.15 -1.16 0.00 0.00 179.01 179.02 3jrm h THR 87 N 0.00 1.22 -0.40 1.13 2.02 -1.07 -1.24 112.91 114.58 3jrm h THR 87 Ca -0.00 -0.75 -0.05 0.00 0.77 0.00 0.00 66.41 66.38 3jrm h THR 87 Cb 0.54 1.02 -0.02 0.00 -1.74 0.00 0.00 68.15 67.96 3jrm h THR 87 CO 0.03 0.26 0.06 0.40 0.37 0.00 0.00 175.52 176.64 3jrm h ILE 88 N 0.44 1.24 -0.95 3.11 2.04 -1.06 -1.61 117.51 120.72 3jrm h ILE 88 Ca 0.12 -0.87 0.09 0.00 1.00 0.00 0.00 64.86 65.19 3jrm h ILE 88 Cb 0.30 1.04 -0.07 0.00 -0.74 0.00 0.00 36.82 37.34 3jrm h ILE 88 CO 0.00 0.30 0.59 0.03 0.00 0.00 0.00 178.15 179.07 3jrm h ARG 89 N 0.51 0.99 -0.49 2.37 3.08 -1.17 -1.67 114.38 118.00 3jrm h ARG 89 Ca 0.12 -0.06 -0.12 0.00 0.07 0.00 0.00 59.98 59.99 3jrm h ARG 89 Cb 0.37 -0.22 -0.01 0.00 0.08 0.00 0.00 29.97 30.18 3jrm h ARG 89 CO 0.01 0.66 -0.18 1.15 -1.07 0.00 0.00 179.97 180.54 3jrm h THR 90 N 1.02 1.27 -0.59 2.04 2.02 -0.67 0.17 112.91 118.16 3jrm h THR 90 Ca 0.44 -1.33 -0.01 0.00 0.77 0.00 0.00 66.41 66.27 3jrm h THR 90 Cb 0.29 1.08 -0.03 0.00 -1.74 0.00 0.00 68.15 67.75 3jrm h THR 90 CO -0.21 0.46 0.33 0.58 0.37 0.00 0.00 175.52 177.05 3jrm h VAL 91 N 0.85 1.19 0.31 3.16 2.07 -0.65 -2.53 116.25 120.65 3jrm h VAL 91 Ca 0.12 -0.49 -0.02 0.00 0.82 0.00 0.00 66.70 67.14 3jrm h VAL 91 Cb 0.74 0.43 0.00 0.00 -1.52 0.00 0.00 31.29 30.95 3jrm h VAL 91 CO 0.06 0.21 -0.15 0.40 0.02 0.00 0.00 177.57 178.11 3jrm h ILE 92 N 0.80 0.36 -1.00 4.57 2.04 -1.14 -3.35 117.51 119.79 3jrm h ILE 92 Ca 0.21 -0.80 0.18 0.00 1.00 0.00 0.00 64.86 65.45 3jrm h ILE 92 Cb 0.04 0.59 -0.10 0.00 -0.74 0.00 0.00 36.82 36.61 3jrm h ILE 92 CO -0.03 0.09 0.62 0.00 0.00 0.00 0.00 178.15 178.82 3jrm h ALA 93 N -0.78 1.68 0.00 1.87 0.00 -0.65 0.47 119.26 121.86 3jrm h ALA 93 Ca -0.04 0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.93 3jrm h ALA 93 Cb 0.46 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.15 3jrm h ALA 93 CO 0.07 -0.03 0.00 0.44 0.00 0.00 0.00 179.25 179.73 3jrm n ILE 94 N -4.72 0.07 -0.00 0.00 -5.35 -0.96 -2.72 119.36 105.68 3jrm n ILE 94 Ca 0.22 0.02 0.03 0.00 -0.27 0.00 0.00 62.75 62.75 3jrm n ILE 94 Cb 0.54 -0.58 0.06 0.00 -1.74 0.00 0.00 39.64 37.92 3jrm n ILE 94 CO 0.00 0.00 0.00 0.54 -1.76 0.00 0.00 176.55 175.33 3jrm n ARG 95 N -1.14 2.07 -1.81 6.28 1.74 0.14 -4.91 116.66 119.03 3jrm n ARG 95 Ca 0.17 -1.51 -0.42 0.00 -0.77 0.00 0.00 57.85 55.32 3jrm n ARG 95 Cb 0.15 -1.12 -0.03 0.00 -1.02 0.00 0.00 32.46 30.44 3jrm n ARG 95 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 3jrm s ILE 96 N -0.85 3.25 1.00 0.55 1.01 -1.10 -4.83 121.20 120.24 3jrm s ILE 96 Ca 0.10 0.30 -0.16 0.00 0.00 0.00 0.00 60.65 60.88 3jrm s ILE 96 Cb 0.05 -3.23 0.21 0.00 0.01 0.00 0.00 42.46 39.50 3jrm s ILE 96 CO 0.07 -0.07 1.26 -2.16 0.00 0.00 0.00 174.94 174.04 3jrm s PRO 97 N 4.77 0.36 0.09 2.79 0.04 -1.26 -4.96 135.00 136.82 3jrm s PRO 97 Ca 0.85 -0.27 -0.36 0.00 0.04 0.00 0.00 61.00 61.26 3jrm s PRO 97 Cb -0.36 -1.80 -0.18 0.00 0.04 0.00 0.00 34.50 32.20 3jrm s PRO 97 CO 0.36 -2.63 1.09 -1.91 0.04 0.00 0.00 177.00 173.95 3jrm n GLU 98 N -3.95 0.55 -2.23 4.56 2.13 -1.26 -4.88 120.64 115.56 3jrm n GLU 98 Ca 0.14 0.20 -0.42 0.00 0.66 0.00 0.00 57.16 57.74 3jrm n GLU 98 Cb 0.60 -1.67 -0.03 0.00 0.27 0.00 0.00 31.44 30.61 3jrm n GLU 98 CO 0.00 0.00 0.00 -1.58 -0.41 0.00 0.00 177.13 175.14 3jrm s HIS 99 N -0.06 3.28 0.03 4.31 5.65 -1.26 -5.02 115.29 122.23 3jrm s HIS 99 Ca 0.82 1.13 -0.16 0.00 0.25 0.00 0.00 55.06 57.10 3jrm s HIS 99 Cb -1.05 -3.61 0.03 0.00 -1.18 0.00 0.00 32.58 26.77 3jrm s HIS 99 CO 0.53 -1.99 0.35 0.15 -0.65 0.00 0.00 174.74 173.14 3jrm s LYS 100 N 0.54 0.83 0.00 2.88 1.02 -1.26 -5.05 119.74 118.70 3jrm s LYS 100 Ca 0.60 -0.38 0.28 0.00 0.02 0.00 0.00 55.97 56.49 3jrm s LYS 100 Cb -0.36 0.36 1.46 0.00 -0.52 0.00 0.00 37.83 38.78 3jrm s LYS 100 CO 0.34 -0.27 1.97 0.39 -0.92 0.00 0.00 175.35 176.86 3jrm n GLU 101 N 0.69 1.26 -4.06 1.68 -0.58 -1.26 -4.89 120.64 113.47 3jrm n GLU 101 Ca -0.19 -0.37 -0.14 0.00 -0.42 0.00 0.00 57.16 56.04 3jrm n GLU 101 Cb 0.59 -1.46 -0.04 0.00 -0.57 0.00 0.00 31.44 29.96 3jrm n GLU 101 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 3jrm s ALA 102 N -1.98 0.60 -1.33 0.62 0.00 -1.26 -4.93 121.76 113.48 3jrm s ALA 102 Ca 0.41 -1.42 -0.04 0.00 0.00 0.00 0.00 51.96 50.92 3jrm s ALA 102 Cb 0.20 1.12 0.02 0.00 0.00 0.00 0.00 23.12 24.46 3jrm s ALA 102 CO 0.33 -0.81 0.89 -3.47 0.00 0.00 0.00 175.76 172.71 3jrm n ASP 103 N -1.31 -2.74 -0.57 0.00 2.03 -1.26 -4.94 116.55 107.76 3jrm n ASP 103 Ca 0.00 -0.73 0.06 0.00 0.52 0.00 0.00 54.79 54.64 3jrm n ASP 103 Cb 0.62 -4.41 0.19 0.00 -0.72 0.00 0.00 41.12 36.79 3jrm n ASP 103 CO 0.00 0.00 0.00 0.59 -1.92 0.00 0.00 177.20 175.87 3jrm n ASN 104 N -3.03 2.35 -0.21 1.67 3.02 -1.26 -4.69 115.26 113.11 3jrm n ASN 104 Ca -0.19 -3.50 -0.09 0.00 -0.03 0.00 0.00 54.58 50.76 3jrm n ASN 104 Cb 0.63 -0.52 0.02 0.00 -0.61 0.00 0.00 39.78 39.31 3jrm n ASN 104 CO 0.00 0.00 0.00 -0.07 -2.62 0.00 0.00 177.26 174.57 3jrm h LEU 105 N 0.77 1.06 -0.09 3.41 3.38 -1.92 -1.12 115.31 120.80 3jrm h LEU 105 Ca 0.04 -0.32 -0.22 0.00 0.09 0.00 0.00 57.88 57.47 3jrm h LEU 105 Cb 1.19 -0.29 0.01 0.00 0.09 0.00 0.00 40.66 41.66 3jrm h LEU 105 CO 0.10 1.12 -0.81 1.23 0.09 0.00 0.00 178.44 180.18 3jrm h GLY 106 N 0.97 0.79 0.52 0.83 0.00 -1.83 -3.08 103.07 101.28 3jrm h GLY 106 Ca 0.16 -1.20 0.10 0.00 0.00 0.00 0.00 47.33 46.39 3jrm h GLY 106 CO 0.04 1.07 0.53 -2.08 0.00 0.00 0.00 176.54 176.10 3jrm h VAL 107 N 0.40 0.93 -0.64 4.60 2.07 -1.71 -0.72 116.25 121.19 3jrm h VAL 107 Ca -0.07 -0.30 -0.04 0.00 0.82 0.00 0.00 66.70 67.10 3jrm h VAL 107 Cb 1.45 -0.03 -0.03 0.00 -1.52 0.00 0.00 31.29 31.16 3jrm h VAL 107 CO 0.16 0.16 0.24 0.00 0.02 0.00 0.00 177.57 178.15 3jrm h ALA 108 N 1.48 1.21 -0.44 1.67 0.00 -1.15 -0.70 119.26 121.33 3jrm h ALA 108 Ca 0.43 -0.18 -0.01 0.00 0.00 0.00 0.00 54.91 55.16 3jrm h ALA 108 Cb 0.39 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 17.90 3jrm h ALA 108 CO -0.25 0.57 0.25 0.28 0.00 0.00 0.00 179.25 180.10 3jrm h VAL 109 N 0.93 1.15 0.32 0.00 2.07 -1.13 -0.32 116.25 119.27 3jrm h VAL 109 Ca 0.22 -0.38 -0.00 0.00 0.82 0.00 0.00 66.70 67.35 3jrm h VAL 109 Cb 0.21 0.60 -0.02 0.00 -1.52 0.00 0.00 31.29 30.56 3jrm h VAL 109 CO -0.02 0.16 -0.31 1.56 0.02 0.00 0.00 177.57 178.98 3jrm h GLN 110 N 0.58 -0.63 -0.68 1.57 4.20 -0.37 -1.47 115.11 118.31 3jrm h GLN 110 Ca 0.16 0.04 0.00 0.00 0.06 0.00 0.00 58.65 58.91 3jrm h GLN 110 Cb 0.04 0.14 -0.03 0.00 0.30 0.00 0.00 27.48 27.93 3jrm h GLN 110 CO -0.03 -0.42 0.43 0.45 -0.67 0.00 0.00 178.83 178.59 3jrm h HIS 111 N -0.66 0.86 -0.21 2.96 3.86 -1.09 -0.19 115.15 120.68 3jrm h HIS 111 Ca -0.02 0.01 -0.00 0.00 -1.16 0.00 0.00 60.37 59.20 3jrm h HIS 111 Cb 0.59 -0.29 -0.01 0.00 1.06 0.00 0.00 27.41 28.76 3jrm h HIS 111 CO -0.18 0.56 0.11 0.00 0.86 0.00 0.00 177.93 179.28 3jrm h ALA 112 N 1.55 0.27 -0.05 2.45 0.00 -0.67 -0.59 119.26 122.22 3jrm h ALA 112 Ca 0.25 -0.07 -0.20 0.00 0.00 0.00 0.00 54.91 54.89 3jrm h ALA 112 Cb -0.08 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 17.63 3jrm h ALA 112 CO -0.05 -0.19 -0.81 0.28 0.00 0.00 0.00 179.25 178.48 3jrm h VAL 113 N 0.23 1.39 -0.43 0.00 2.07 -0.96 -2.79 116.25 115.76 3jrm h VAL 113 Ca 0.07 -2.27 -0.00 0.00 0.82 0.00 0.00 66.70 65.32 3jrm h VAL 113 Cb 0.08 2.23 -0.02 0.00 -1.52 0.00 0.00 31.29 32.06 3jrm h VAL 113 CO -0.01 0.68 0.26 -0.07 0.02 0.00 0.00 177.57 178.45 3jrm h LEU 114 N 0.25 0.51 -0.41 2.57 3.38 -0.89 -2.48 115.31 118.24 3jrm h LEU 114 Ca -0.05 -0.02 -0.07 0.00 0.09 0.00 0.00 57.88 57.83 3jrm h LEU 114 Cb 1.41 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 42.02 3jrm h LEU 114 CO 0.14 0.39 -0.00 0.50 0.09 0.00 0.00 178.44 179.56 3jrm h LYS 115 N 0.59 0.72 0.00 1.13 3.64 -0.83 -0.61 116.57 121.21 3jrm h LYS 115 Ca 0.16 -0.23 -0.13 0.00 -1.27 0.00 0.00 60.65 59.17 3jrm h LYS 115 Cb -0.02 -0.06 -0.02 0.00 -0.41 0.00 0.00 32.23 31.71 3jrm h LYS 115 CO -0.03 0.81 -0.64 -0.84 -2.27 0.00 0.00 179.45 176.47 3jrm h ILE 116 N 0.55 1.37 -0.03 2.00 3.07 -1.40 -1.17 117.51 121.91 3jrm h ILE 116 Ca 0.11 -2.27 -0.10 0.00 1.55 0.00 0.00 64.86 64.16 3jrm h ILE 116 Cb 0.48 2.25 -0.01 0.00 -0.27 0.00 0.00 36.82 39.27 3jrm h ILE 116 CO 0.02 0.63 -0.45 0.40 -1.05 0.00 0.00 178.15 177.71 3jrm h ILE 117 N 0.00 1.32 -0.28 0.16 2.04 -1.22 0.70 117.51 120.24 3jrm h ILE 117 Ca -0.01 -1.56 -0.17 0.00 1.00 0.00 0.00 64.86 64.13 3jrm h ILE 117 Cb 1.20 1.81 0.00 0.00 -0.74 0.00 0.00 36.82 39.09 3jrm h ILE 117 CO 0.08 0.45 -0.49 0.44 0.00 0.00 0.00 178.15 178.63 3jrm h ASP 118 N 0.05 0.91 -0.76 1.72 3.32 -0.77 -2.48 116.42 118.41 3jrm h ASP 118 Ca 0.00 -0.53 -0.01 0.00 0.02 0.00 0.00 57.03 56.51 3jrm h ASP 118 Cb 0.81 -0.26 -0.04 0.00 0.22 0.00 0.00 39.33 40.07 3jrm h ASP 118 CO 0.06 1.26 0.43 -0.08 -1.72 0.00 0.00 179.24 179.20 3jrm h GLU 119 N 0.58 1.06 -0.14 3.56 4.22 -0.93 0.59 114.58 123.53 3jrm h GLU 119 Ca 0.02 -0.11 -0.00 0.00 0.08 0.00 0.00 59.36 59.34 3jrm h GLU 119 Cb 1.10 -0.21 -0.01 0.00 0.50 0.00 0.00 28.75 30.12 3jrm h GLU 119 CO 0.11 0.77 0.07 1.25 -2.18 0.00 0.00 179.01 179.04 3jrm h LEU 120 N 1.07 0.17 0.12 1.64 5.85 -0.75 -0.77 115.31 122.65 3jrm h LEU 120 Ca 0.27 -0.09 -0.01 0.00 0.84 0.00 0.00 57.88 58.90 3jrm h LEU 120 Cb 0.01 -0.04 0.00 0.00 0.37 0.00 0.00 40.66 41.00 3jrm h LEU 120 CO -0.05 0.21 -0.06 -0.33 -0.34 0.00 0.00 178.44 177.88 3jrm h GLU 121 N 0.12 -0.15 0.13 1.25 5.08 -1.22 0.11 114.58 119.90 3jrm h GLU 121 Ca 0.05 0.01 -0.01 0.00 -1.00 0.00 0.00 59.36 58.41 3jrm h GLU 121 Cb 0.08 0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.36 3jrm h GLU 121 CO -0.01 0.33 -0.06 0.82 -1.00 0.00 0.00 179.01 179.09 3jrm h ILE 122 N -0.85 1.04 0.00 3.13 1.08 -0.99 -2.78 117.51 118.13 3jrm h ILE 122 Ca -0.02 -0.95 -0.11 0.00 -0.39 0.00 0.00 64.86 63.40 3jrm h ILE 122 Cb 0.55 1.61 -0.02 0.00 -3.07 0.00 0.00 36.82 35.89 3jrm h ILE 122 CO 0.03 0.22 -0.86 0.50 -0.69 0.00 0.00 178.15 177.34 3jrm h LYS 123 N -0.64 0.00 0.01 2.37 1.63 -1.35 -2.66 116.57 115.93 3jrm h LYS 123 Ca -0.02 0.00 -0.00 0.00 -0.85 0.00 0.00 60.65 59.78 3jrm h LYS 123 Cb 0.49 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.12 3jrm h LYS 123 CO 0.03 0.47 -0.01 1.15 -3.45 0.00 0.00 179.45 177.64 3jrm h THR 124 N -1.00 1.47 0.00 1.00 2.02 -1.02 -3.16 112.91 112.22 3jrm h THR 124 Ca -0.16 -1.49 0.00 0.00 0.77 0.00 0.00 66.41 65.52 3jrm h THR 124 Cb 0.87 2.47 0.00 0.00 -1.74 0.00 0.00 68.15 69.75 3jrm h THR 124 CO -0.10 0.38 0.00 0.18 0.37 0.00 0.00 175.52 176.35 3jrm n LEU 125 N -4.79 0.17 -3.57 2.58 4.77 0.38 -4.77 117.00 111.77 3jrm n LEU 125 Ca -0.09 0.53 -0.26 0.00 -0.03 0.00 0.00 56.01 56.16 3jrm n LEU 125 Cb 0.32 -0.48 0.04 0.00 -2.33 0.00 0.00 43.42 40.96 3jrm n LEU 125 CO 0.33 -0.16 0.11 0.61 -1.33 0.00 0.00 177.39 176.95 3jrm n GLY 126 N 0.84 -0.52 0.22 -0.72 0.00 -1.01 -1.05 105.19 102.95 3jrm n GLY 126 Ca 0.05 0.19 0.14 0.00 0.00 0.00 0.00 46.02 46.40 3jrm n GLY 126 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 3jrm h SER 127 N -1.97 0.00 -4.27 1.61 4.64 -1.45 -3.35 113.55 108.76 3jrm h SER 127 Ca -0.55 0.00 -0.50 0.00 -0.47 0.00 0.00 61.79 60.27 3jrm h SER 127 Cb 1.36 0.00 0.07 0.00 -0.31 0.00 0.00 62.40 63.52 3jrm h SER 127 CO 0.60 0.00 0.38 -0.83 -0.87 0.00 0.00 176.83 176.11 3jrm s GLY 128 N -4.04 1.89 0.19 -0.77 0.00 -1.26 -4.97 107.32 98.35 3jrm s GLY 128 Ca 0.05 0.20 -0.05 0.00 0.00 0.00 0.00 44.72 44.92 3jrm s GLY 128 CO 0.58 0.50 1.55 -2.09 0.00 0.00 0.00 173.10 173.65 3jrm h GLU 129 N -0.04 0.72 -3.21 2.90 4.81 -1.99 -3.43 114.58 114.33 3jrm h GLU 129 Ca -0.45 -0.36 -0.23 0.00 -0.13 0.00 0.00 59.36 58.18 3jrm h GLU 129 Cb 1.21 0.01 -0.31 0.00 0.63 0.00 0.00 28.75 30.28 3jrm h GLU 129 CO 0.58 0.98 -0.58 0.21 -0.73 0.00 0.00 179.01 179.47 3jrm s LYS 130 N -4.33 0.11 0.45 1.92 2.20 -1.26 -5.15 119.74 113.69 3jrm s LYS 130 Ca -0.09 0.40 -0.12 0.00 -0.36 0.00 0.00 55.97 55.80 3jrm s LYS 130 Cb 0.12 -0.17 -0.07 0.00 -1.51 0.00 0.00 37.83 36.21 3jrm s LYS 130 CO 0.85 -0.16 0.86 -1.54 -0.36 0.00 0.00 175.35 174.99 3jrm s SER 131 N 1.18 6.54 1.04 1.43 1.04 -1.26 -5.06 113.70 118.60 3jrm s SER 131 Ca -0.09 1.29 -0.10 0.00 0.48 0.00 0.00 55.95 57.53 3jrm s SER 131 Cb -0.11 -2.39 0.13 0.00 0.10 0.00 0.00 66.02 63.75 3jrm s SER 131 CO -0.06 -0.49 0.70 0.61 0.98 0.00 0.00 173.24 174.97 3jrm n GLY 132 N -1.48 -1.67 0.00 7.32 0.00 -1.26 -4.84 105.19 103.25 3jrm n GLY 132 Ca 0.04 -1.63 0.05 0.00 0.00 0.00 0.00 46.02 44.47 3jrm n GLY 132 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3jrm n SER 133 N -3.62 0.00 0.28 1.61 3.41 -1.26 -0.93 113.62 113.12 3jrm n SER 133 Ca 0.09 0.44 0.19 0.00 -0.26 0.00 0.00 58.87 59.33 3jrm n SER 133 Cb 0.32 -0.46 0.88 0.00 -0.26 0.00 0.00 64.21 64.68 3jrm n SER 133 CO 0.00 0.00 0.00 1.23 -0.16 0.00 0.00 175.04 176.11 3jrm h GLY 134 N 1.74 0.00 0.00 5.00 0.00 -2.04 -3.49 103.07 104.28 3jrm h GLY 134 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 3jrm h GLY 134 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.15 3jrm n GLY 135 N -0.49 -2.12 3.02 4.60 0.00 -0.11 -4.72 105.19 105.38 3jrm n GLY 135 Ca -0.01 -1.50 -0.32 0.00 0.00 0.00 0.00 46.02 44.19 3jrm n GLY 135 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3jrm s ALA 136 N -1.08 3.15 -0.36 4.61 0.00 -1.26 -4.41 121.76 122.40 3jrm s ALA 136 Ca 0.00 -2.86 0.27 0.00 0.00 0.00 0.00 51.96 49.37 3jrm s ALA 136 Cb 0.00 -2.18 0.86 0.00 0.00 0.00 0.00 23.12 21.81 3jrm s ALA 136 CO 0.00 -1.86 1.77 -1.00 0.00 0.00 0.00 175.76 174.67 3jrm h PRO 137 N 7.25 0.00 -6.87 0.00 0.13 -1.84 -3.44 132.00 127.22 3jrm h PRO 137 Ca -0.06 0.00 -0.50 0.00 -0.87 0.00 0.00 66.00 64.56 3jrm h PRO 137 Cb 0.97 0.00 0.03 0.00 0.13 0.00 0.00 31.00 32.14 3jrm h PRO 137 CO 0.62 0.00 0.50 -0.08 -0.23 0.00 0.00 178.00 178.81 3jrm s THR 138 N -3.33 3.31 0.40 1.56 -1.32 -1.26 -4.96 115.64 110.04 3jrm s THR 138 Ca 0.06 1.22 0.09 0.00 -1.21 0.00 0.00 61.69 61.85 3jrm s THR 138 Cb 0.09 -3.73 0.18 0.00 -1.51 0.00 0.00 72.50 67.52 3jrm s THR 138 CO 0.56 0.21 1.95 -0.65 -2.21 0.00 0.00 174.62 174.48 3jrm h PRO 139 N 3.26 0.27 -2.78 7.08 0.11 -1.87 -3.44 132.00 134.63 3jrm h PRO 139 Ca -0.48 -0.05 -0.12 0.00 0.11 0.00 0.00 66.00 65.46 3jrm h PRO 139 Cb 1.22 -0.04 -0.23 0.00 0.11 0.00 0.00 31.00 32.06 3jrm h PRO 139 CO 0.65 0.35 -0.23 -1.50 -0.21 0.00 0.00 178.00 177.06 3jrm s ILE 140 N -4.85 0.01 0.39 4.15 2.07 -1.26 -4.97 121.20 116.74 3jrm s ILE 140 Ca -0.06 -0.08 0.01 0.00 -1.41 0.00 0.00 60.65 59.11 3jrm s ILE 140 Cb 0.16 -0.59 0.08 0.00 0.13 0.00 0.00 42.46 42.23 3jrm s ILE 140 CO 0.73 -0.04 0.54 0.61 -1.91 0.00 0.00 174.94 174.86 3jrm n GLY 141 N 2.54 0.93 0.29 1.50 0.00 -1.26 -4.83 105.19 104.36 3jrm n GLY 141 Ca -0.15 -2.03 0.07 0.00 0.00 0.00 0.00 46.02 43.91 3jrm n GLY 141 CO 0.00 0.00 0.00 -0.33 0.00 0.00 0.00 173.32 172.99 3jrm h MET 142 N 0.00 0.48 -2.17 1.61 2.86 -1.22 -3.18 114.93 113.32 3jrm h MET 142 Ca -0.18 -0.03 -0.61 0.00 -2.06 0.00 0.00 59.70 56.82 3jrm h MET 142 Cb 0.68 -0.11 -0.18 0.00 0.06 0.00 0.00 31.60 32.05 3jrm h MET 142 CO 0.20 0.32 1.00 0.66 1.06 0.00 0.00 176.91 180.15 3jrm n TYR 143 N -4.97 2.07 -0.03 -0.22 0.53 -1.26 -4.61 117.16 108.68 3jrm n TYR 143 Ca 0.16 -2.24 -0.15 0.00 -1.02 0.00 0.00 57.90 54.66 3jrm n TYR 143 Cb 0.46 -1.46 -0.10 0.00 -1.03 0.00 0.00 39.34 37.22 3jrm n TYR 143 CO 0.00 0.00 0.00 0.00 -1.02 0.00 0.00 176.86 175.84 3jrm h ALA 144 N 3.46 0.11 -0.22 -0.72 0.00 -1.91 -2.09 119.26 117.89 3jrm h ALA 144 Ca 0.50 -0.44 0.06 0.00 0.00 0.00 0.00 54.91 55.02 3jrm h ALA 144 Cb 0.51 -0.00 -0.06 0.00 0.00 0.00 0.00 17.79 18.24 3jrm h ALA 144 CO 1.11 0.16 -0.15 1.25 0.00 0.00 0.00 179.25 181.62 3jrm h LEU 145 N -0.22 -0.49 -0.62 0.00 5.85 -1.85 0.74 115.31 118.72 3jrm h LEU 145 Ca -0.02 0.10 0.07 0.00 0.84 0.00 0.00 57.88 58.87 3jrm h LEU 145 Cb 0.96 0.25 -0.06 0.00 0.37 0.00 0.00 40.66 42.19 3jrm h LEU 145 CO 0.06 -0.19 0.31 -0.09 -0.34 0.00 0.00 178.44 178.19 3jrm h ARG 146 N -0.14 0.55 -0.42 1.25 9.65 -1.92 -0.59 114.38 122.75 3jrm h ARG 146 Ca 0.13 -0.03 -0.02 0.00 -1.10 0.00 0.00 59.98 58.96 3jrm h ARG 146 Cb 0.33 -0.12 -0.02 0.00 -1.39 0.00 0.00 29.97 28.77 3jrm h ARG 146 CO -0.31 0.36 0.19 0.93 2.80 0.00 0.00 179.97 183.94 3jrm h GLU 147 N 0.56 0.62 0.36 0.20 5.08 -0.61 -1.77 114.58 119.02 3jrm h GLU 147 Ca 0.29 -0.10 -0.02 0.00 -1.00 0.00 0.00 59.36 58.53 3jrm h GLU 147 Cb 0.25 -0.11 0.00 0.00 0.50 0.00 0.00 28.75 29.40 3jrm h GLU 147 CO -0.22 0.55 -0.17 -0.92 -1.00 0.00 0.00 179.01 177.25 3jrm h TYR 148 N 0.54 -0.45 -0.74 4.33 3.20 -0.61 -2.17 116.97 121.06 3jrm h TYR 148 Ca 0.14 -0.01 0.01 0.00 3.14 0.00 0.00 58.73 62.02 3jrm h TYR 148 Cb 0.15 0.15 -0.04 0.00 1.54 0.00 0.00 36.73 38.53 3jrm h TYR 148 CO -0.01 -0.24 0.49 -0.07 -1.64 0.00 0.00 178.16 176.70 3jrm h LEU 149 N -0.56 0.84 -0.36 2.82 3.38 -1.06 0.89 115.31 121.27 3jrm h LEU 149 Ca -0.05 -0.02 -0.06 0.00 0.09 0.00 0.00 57.88 57.84 3jrm h LEU 149 Cb 0.42 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 40.95 3jrm h LEU 149 CO 0.08 0.60 -0.01 0.28 0.09 0.00 0.00 178.44 179.48 3jrm h SER 150 N 0.98 0.63 -0.47 -0.43 0.02 -1.29 0.12 113.55 113.11 3jrm h SER 150 Ca 0.28 -0.32 -0.04 0.00 -0.84 0.00 0.00 61.79 60.87 3jrm h SER 150 Cb -0.08 -0.17 -0.02 0.00 0.14 0.00 0.00 62.40 62.27 3jrm h SER 150 CO -0.07 0.80 0.14 0.00 -1.14 0.00 0.00 176.83 176.57 3jrm h ALA 151 N 0.86 0.61 -0.10 3.77 0.00 -0.96 -2.86 119.26 120.58 3jrm h ALA 151 Ca 0.10 -0.18 -0.07 0.00 0.00 0.00 0.00 54.91 54.76 3jrm h ALA 151 Cb 0.48 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.09 3jrm h ALA 151 CO 0.02 0.27 -0.22 -0.09 0.00 0.00 0.00 179.25 179.23 3jrm h ARG 152 N 0.62 0.33 -0.33 0.00 2.43 -0.78 -3.19 114.38 113.45 3jrm h ARG 152 Ca 0.15 -0.22 -0.03 0.00 -0.81 0.00 0.00 59.98 59.07 3jrm h ARG 152 Cb 0.27 0.03 -0.02 0.00 -0.42 0.00 0.00 29.97 29.83 3jrm h ARG 152 CO -0.00 0.82 0.07 0.66 -1.51 0.00 0.00 179.97 180.00 3jrm h SER 153 N -0.12 0.45 -0.56 -3.80 4.64 -0.98 0.25 113.55 113.42 3jrm h SER 153 Ca 0.00 -0.06 0.02 0.00 -0.47 0.00 0.00 61.79 61.28 3jrm h SER 153 Cb 0.81 -0.11 -0.03 0.00 -0.31 0.00 0.00 62.40 62.75 3jrm h SER 153 CO 0.05 0.46 0.35 0.74 -0.87 0.00 0.00 176.83 177.56 3jrm h THR 154 N 0.48 1.09 -0.10 2.95 2.02 -1.54 -0.31 112.91 117.50 3jrm h THR 154 Ca 0.11 -0.24 -0.22 0.00 0.77 0.00 0.00 66.41 66.83 3jrm h THR 154 Cb 0.21 0.33 0.01 0.00 -1.74 0.00 0.00 68.15 66.95 3jrm h THR 154 CO -0.00 0.13 -0.82 0.58 0.37 0.00 0.00 175.52 175.78 3jrm h VAL 155 N 0.70 1.31 -0.40 3.16 2.07 -1.23 -2.79 116.25 119.07 3jrm h VAL 155 Ca 0.22 -2.09 0.06 0.00 0.82 0.00 0.00 66.70 65.71 3jrm h VAL 155 Cb -0.02 2.10 -0.05 0.00 -1.52 0.00 0.00 31.29 31.80 3jrm h VAL 155 CO -0.08 0.65 0.09 -0.33 0.02 0.00 0.00 177.57 177.92 3jrm h GLU 156 N 0.44 0.22 0.18 1.57 5.08 -0.35 -1.48 114.58 120.23 3jrm h GLU 156 Ca -0.06 -0.01 0.01 0.00 -1.00 0.00 0.00 59.36 58.30 3jrm h GLU 156 Cb 1.44 -0.05 -0.03 0.00 0.50 0.00 0.00 28.75 30.61 3jrm h GLU 156 CO 0.16 0.14 -0.27 -0.44 -1.00 0.00 0.00 179.01 177.60 3jrm h ASP 157 N 0.22 -0.75 -0.72 1.42 5.19 -0.97 0.00 116.42 120.81 3jrm h ASP 157 Ca 0.19 0.08 0.04 0.00 -0.62 0.00 0.00 57.03 56.72 3jrm h ASP 157 Cb 0.22 0.27 -0.04 0.00 0.18 0.00 0.00 39.33 39.97 3jrm h ASP 157 CO -0.24 -0.37 0.47 0.11 -3.12 0.00 0.00 179.24 176.09 3jrm h LYS 158 N -0.52 0.82 -0.12 3.56 1.57 -1.23 0.17 116.57 120.82 3jrm h LYS 158 Ca 0.01 -0.05 -0.23 0.00 -1.87 0.00 0.00 60.65 58.52 3jrm h LYS 158 Cb 0.52 -0.18 0.01 0.00 0.08 0.00 0.00 32.23 32.65 3jrm h LYS 158 CO -0.12 0.54 -0.82 -0.07 -0.57 0.00 0.00 179.45 178.42 3jrm h LEU 159 N 0.84 0.86 0.01 2.94 3.38 -0.82 0.98 115.31 123.51 3jrm h LEU 159 Ca 0.29 -0.59 -0.10 0.00 0.09 0.00 0.00 57.88 57.57 3jrm h LEU 159 Cb 0.10 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 40.58 3jrm h LEU 159 CO -0.09 1.38 -0.51 -0.07 0.09 0.00 0.00 178.44 179.25 3jrm h LEU 160 N 0.47 0.04 0.00 1.67 3.38 -0.50 -3.32 115.31 117.05 3jrm h LEU 160 Ca -0.06 -0.83 0.00 0.00 0.09 0.00 0.00 57.88 57.07 3jrm h LEU 160 Cb 1.45 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 42.18 3jrm h LEU 160 CO 0.16 1.21 0.00 0.61 0.09 0.00 0.00 178.44 180.51 3jrm n GLY 161 N 1.56 0.42 1.98 0.83 0.00 0.55 -3.59 105.19 106.95 3jrm n GLY 161 Ca -0.18 -0.84 -0.36 0.00 0.00 0.00 0.00 46.02 44.64 3jrm n GLY 161 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3jrm n GLY 172 N 0.00 0.08 3.75 -0.02 0.00 -1.26 -5.08 105.19 102.66 3jrm n GLY 172 Ca 0.00 0.55 -0.30 0.00 0.00 0.00 0.00 46.02 46.27 3jrm n GLY 172 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3jrm s GLY 173 N 1.77 1.61 0.45 -0.02 0.00 -1.24 -4.99 107.32 104.91 3jrm s GLY 173 Ca 0.57 -0.19 -0.24 0.00 0.00 0.00 0.00 44.72 44.86 3jrm s GLY 173 CO 0.43 0.30 1.24 -0.45 0.00 0.00 0.00 173.10 174.62 3jrm s SER 174 N -3.66 6.09 -0.04 1.64 0.15 0.34 -4.93 113.70 113.30 3jrm s SER 174 Ca 0.63 2.50 0.17 0.00 0.70 0.00 0.00 55.95 59.95 3jrm s SER 174 Cb -0.16 -2.62 0.56 0.00 -1.71 0.00 0.00 66.02 62.09 3jrm s SER 174 CO 0.56 -0.98 1.46 0.00 1.20 0.00 0.00 173.24 175.47 3jrm n GLN 175 N -0.32 2.75 -2.20 5.44 1.13 -1.26 -4.86 117.38 118.06 3jrm n GLN 175 Ca 0.06 -2.25 -0.43 0.00 -1.94 0.00 0.00 57.00 52.44 3jrm n GLN 175 Cb 0.46 -1.60 -0.02 0.00 0.11 0.00 0.00 30.24 29.19 3jrm n GLN 175 CO 0.00 0.00 0.00 0.45 -1.44 0.00 0.00 177.06 176.07 3jrm s SER 176 N -0.93 6.73 0.29 1.08 0.15 -1.26 -4.89 113.70 114.86 3jrm s SER 176 Ca 0.41 1.89 0.01 0.00 0.70 0.00 0.00 55.95 58.96 3jrm s SER 176 Cb 0.24 -2.54 0.44 0.00 -1.71 0.00 0.00 66.02 62.45 3jrm s SER 176 CO 0.25 -0.92 1.80 1.55 1.20 0.00 0.00 173.24 177.11 3jrm h PRO 177 N 9.22 0.65 -0.17 5.44 0.13 -2.01 -3.11 132.00 142.16 3jrm h PRO 177 Ca -0.33 -0.17 -0.16 0.00 -0.87 0.00 0.00 66.00 64.47 3jrm h PRO 177 Cb 1.14 -0.08 -0.01 0.00 0.13 0.00 0.00 31.00 32.19 3jrm h PRO 177 CO 0.97 0.69 -0.57 0.77 -0.23 0.00 0.00 178.00 179.63 3jrm h SER 178 N 0.62 0.58 -0.96 1.44 0.02 -1.99 -2.81 113.55 110.44 3jrm h SER 178 Ca 0.12 -0.32 0.07 0.00 -0.84 0.00 0.00 61.79 60.83 3jrm h SER 178 Cb 0.43 -0.17 -0.07 0.00 0.14 0.00 0.00 62.40 62.74 3jrm h SER 178 CO 0.02 1.03 0.62 0.25 -1.14 0.00 0.00 176.83 177.61 3jrm h LEU 179 N 0.39 0.97 -0.16 5.07 5.85 -1.95 0.13 115.31 125.62 3jrm h LEU 179 Ca 0.00 0.01 -0.03 0.00 0.84 0.00 0.00 57.88 58.71 3jrm h LEU 179 Cb 1.11 -0.19 -0.01 0.00 0.37 0.00 0.00 40.66 41.94 3jrm h LEU 179 CO 0.11 0.61 -0.00 0.25 -0.34 0.00 0.00 178.44 179.06 3jrm h LEU 180 N 1.09 0.27 -1.79 2.25 5.85 -1.45 -2.19 115.31 119.34 3jrm h LEU 180 Ca 0.42 -0.31 -0.02 0.00 0.84 0.00 0.00 57.88 58.82 3jrm h LEU 180 Cb 0.22 -0.07 -0.01 0.00 0.37 0.00 0.00 40.66 41.17 3jrm h LEU 180 CO -0.17 0.51 -0.03 -0.07 -0.34 0.00 0.00 178.44 178.34 3jrm h LEU 181 N 0.02 0.08 -0.47 2.25 3.38 -1.20 -2.48 115.31 116.90 3jrm h LEU 181 Ca 0.04 -0.01 -0.06 0.00 0.09 0.00 0.00 57.88 57.94 3jrm h LEU 181 Cb 0.38 -0.02 -0.02 0.00 0.09 0.00 0.00 40.66 41.09 3jrm h LEU 181 CO 0.01 0.13 0.05 -0.08 0.09 0.00 0.00 178.44 178.63 3jrm h GLU 182 N 0.09 0.80 -0.75 1.13 4.81 -0.42 0.08 114.58 120.33 3jrm h GLU 182 Ca 0.02 -0.23 0.14 0.00 -0.13 0.00 0.00 59.36 59.16 3jrm h GLU 182 Cb 0.12 -0.08 -0.10 0.00 0.63 0.00 0.00 28.75 29.32 3jrm h GLU 182 CO 0.00 0.83 0.29 1.25 -0.73 0.00 0.00 179.01 180.65 3jrm h LEU 183 N 0.66 0.26 -0.67 1.64 5.85 -0.92 0.41 115.31 122.53 3jrm h LEU 183 Ca 0.14 0.11 -0.10 0.00 0.84 0.00 0.00 57.88 58.87 3jrm h LEU 183 Cb 0.44 0.09 -0.02 0.00 0.37 0.00 0.00 40.66 41.54 3jrm h LEU 183 CO 0.02 0.09 -0.06 -0.09 -0.34 0.00 0.00 178.44 178.06 3jrm h ARG 184 N 0.43 0.97 -0.05 1.25 2.43 -1.43 -2.74 114.38 115.23 3jrm h ARG 184 Ca 0.41 -0.32 -0.10 0.00 -0.81 0.00 0.00 59.98 59.16 3jrm h ARG 184 Cb 0.62 -0.08 -0.01 0.00 -0.42 0.00 0.00 29.97 30.08 3jrm h ARG 184 CO -0.41 0.99 -0.44 0.37 -1.51 0.00 0.00 179.97 178.98 3jrm h GLN 185 N 0.88 0.11 -0.24 0.20 5.75 0.10 0.12 115.11 122.03 3jrm h GLN 185 Ca 0.15 -0.06 0.00 0.00 -0.15 0.00 0.00 58.65 58.59 3jrm h GLN 185 Cb 0.60 -0.00 -0.01 0.00 1.07 0.00 0.00 27.48 29.13 3jrm h GLN 185 CO 0.04 0.53 0.16 0.82 -2.65 0.00 0.00 178.83 177.73 3jrm h ILE 186 N 0.10 1.07 -0.40 2.39 2.04 -0.13 0.30 117.51 122.87 3jrm h ILE 186 Ca 0.01 -0.16 -0.02 0.00 1.00 0.00 0.00 64.86 65.69 3jrm h ILE 186 Cb 0.82 0.74 -0.02 0.00 -0.74 0.00 0.00 36.82 37.62 3jrm h ILE 186 CO 0.06 0.07 0.15 0.44 0.00 0.00 0.00 178.15 178.88 3jrm h ASP 187 N 0.32 0.56 0.68 1.72 3.32 -1.14 -1.52 116.42 120.35 3jrm h ASP 187 Ca 0.09 -0.17 -0.03 0.00 0.02 0.00 0.00 57.03 56.93 3jrm h ASP 187 Cb -0.02 -0.14 0.01 0.00 0.22 0.00 0.00 39.33 39.40 3jrm h ASP 187 CO -0.02 0.58 -0.33 0.00 -1.72 0.00 0.00 179.24 177.75 3jrm h ALA 188 N 1.00 -0.91 -0.86 3.45 0.00 -0.66 -3.13 119.26 118.14 3jrm h ALA 188 Ca 0.13 -0.21 0.02 0.00 0.00 0.00 0.00 54.91 54.85 3jrm h ALA 188 Cb 0.20 0.35 -0.05 0.00 0.00 0.00 0.00 17.79 18.30 3jrm h ALA 188 CO -0.01 -0.98 0.57 -0.44 0.00 0.00 0.00 179.25 178.39 3jrm h ASP 189 N -0.98 0.96 0.33 0.00 3.32 -0.31 -0.95 116.42 118.79 3jrm h ASP 189 Ca -0.09 -0.02 -0.06 0.00 0.02 0.00 0.00 57.03 56.87 3jrm h ASP 189 Cb 0.72 -0.23 -0.01 0.00 0.22 0.00 0.00 39.33 40.03 3jrm h ASP 189 CO 0.15 0.68 -0.31 -0.26 -1.72 0.00 0.00 179.24 177.79 3jrm h PHE 190 N 1.13 0.00 -0.00 4.55 -1.00 -1.33 0.27 116.94 120.56 3jrm h PHE 190 Ca 0.33 0.00 -0.26 0.00 2.81 0.00 0.00 57.97 60.85 3jrm h PHE 190 Cb -0.07 0.00 0.02 0.00 3.61 0.00 0.00 35.95 39.50 3jrm h PHE 190 CO -0.00 0.31 -1.01 0.52 -1.61 0.00 0.00 178.31 176.51 3jrm h MET 191 N 0.00 0.63 -0.31 1.51 2.86 -1.24 -2.83 114.93 115.54 3jrm h MET 191 Ca -0.00 -0.67 0.05 0.00 -2.06 0.00 0.00 59.70 57.02 3jrm h MET 191 Cb 0.56 0.19 -0.05 0.00 0.06 0.00 0.00 31.60 32.36 3jrm h MET 191 CO 0.04 1.27 -0.00 1.25 1.06 0.00 0.00 176.91 180.52 3jrm h LEU 192 N 0.36 -0.13 -1.85 1.22 5.85 -0.69 -2.37 115.31 117.70 3jrm h LEU 192 Ca -0.12 0.07 -0.00 0.00 0.84 0.00 0.00 57.88 58.67 3jrm h LEU 192 Cb 1.66 0.13 -0.01 0.00 0.37 0.00 0.00 40.66 42.81 3jrm h LEU 192 CO 0.19 -0.03 0.06 0.11 -0.34 0.00 0.00 178.44 178.43 3jrm h LYS 193 N 0.08 0.16 -0.13 1.25 1.57 -0.47 -0.53 116.57 118.50 3jrm h LYS 193 Ca 0.15 -0.01 -0.20 0.00 -1.87 0.00 0.00 60.65 58.72 3jrm h LYS 193 Cb 0.20 -0.03 0.00 0.00 0.08 0.00 0.00 32.23 32.48 3jrm h LYS 193 CO -0.25 0.12 -0.72 0.28 -0.57 0.00 0.00 179.45 178.31 3jrm h VAL 194 N 0.16 1.32 -0.01 0.50 2.07 -1.22 0.55 116.25 119.62 3jrm h VAL 194 Ca 0.04 -2.01 0.00 0.00 0.82 0.00 0.00 66.70 65.56 3jrm h VAL 194 Cb 0.01 1.99 -0.00 0.00 -1.52 0.00 0.00 31.29 31.77 3jrm h VAL 194 CO -0.01 0.62 -0.01 -0.33 0.02 0.00 0.00 177.57 177.87 3jrm h GLU 195 N 0.43 -0.01 -0.26 1.57 5.08 -0.67 -0.95 114.58 119.76 3jrm h GLU 195 Ca -0.03 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.31 3jrm h GLU 195 Cb 1.32 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.56 3jrm h GLU 195 CO 0.14 -0.00 0.08 -0.07 -1.00 0.00 0.00 179.01 178.15 3jrm h LEU 196 N -0.01 0.39 -1.05 1.33 3.38 -1.17 -2.57 115.31 115.61 3jrm h LEU 196 Ca 0.01 -0.21 -0.03 0.00 0.09 0.00 0.00 57.88 57.73 3jrm h LEU 196 Cb 0.02 -0.10 -0.03 0.00 0.09 0.00 0.00 40.66 40.63 3jrm h LEU 196 CO -0.01 0.49 0.26 0.00 0.09 0.00 0.00 178.44 179.27 3jrm h ALA 197 N 0.91 1.25 -0.35 1.53 0.00 -0.78 -1.82 119.26 120.00 3jrm h ALA 197 Ca 0.09 -0.16 -0.10 0.00 0.00 0.00 0.00 54.91 54.73 3jrm h ALA 197 Cb 0.25 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.77 3jrm h ALA 197 CO -0.00 0.56 -0.18 1.79 0.00 0.00 0.00 179.25 181.41 3jrm h THR 198 N 0.93 1.29 -0.08 0.00 1.35 -1.08 0.12 112.91 115.44 3jrm h THR 198 Ca 0.22 -1.31 0.03 0.00 -0.55 0.00 0.00 66.41 64.80 3jrm h THR 198 Cb 0.17 1.39 -0.03 0.00 -1.73 0.00 0.00 68.15 67.95 3jrm h THR 198 CO -0.02 0.43 -0.09 0.74 -0.25 0.00 0.00 175.52 176.33 3jrm h THR 199 N 0.52 0.75 -0.41 6.82 2.02 -1.19 -0.25 112.91 121.17 3jrm h THR 199 Ca 0.08 0.00 0.05 0.00 0.77 0.00 0.00 66.41 67.31 3jrm h THR 199 Cb 0.73 0.75 -0.05 0.00 -1.74 0.00 0.00 68.15 67.84 3jrm h THR 199 CO 0.05 0.00 0.13 -0.74 0.37 0.00 0.00 175.52 175.33 3jrm h HIS 200 N -0.11 0.22 -0.58 3.16 6.17 -1.17 -1.30 115.15 121.53 3jrm h HIS 200 Ca 0.06 0.02 -0.02 0.00 0.71 0.00 0.00 60.37 61.15 3jrm h HIS 200 Cb 0.20 -0.04 -0.03 0.00 2.52 0.00 0.00 27.41 30.07 3jrm h HIS 200 CO -0.19 0.07 0.30 1.25 0.71 0.00 0.00 177.93 180.07 3jrm h LEU 201 N 0.28 0.72 -0.18 0.26 5.85 -0.45 -2.47 115.31 119.32 3jrm h LEU 201 Ca 0.19 -0.06 -0.01 0.00 0.84 0.00 0.00 57.88 58.84 3jrm h LEU 201 Cb 0.19 -0.18 -0.01 0.00 0.37 0.00 0.00 40.66 41.03 3jrm h LEU 201 CO -0.21 0.60 0.08 0.28 -0.34 0.00 0.00 178.44 178.85 3jrm h SER 202 N 0.81 0.24 -0.34 1.25 0.02 0.04 0.12 113.55 115.70 3jrm h SER 202 Ca 0.20 -0.14 0.06 0.00 -0.84 0.00 0.00 61.79 61.07 3jrm h SER 202 Cb 0.06 -0.06 -0.06 0.00 0.14 0.00 0.00 62.40 62.48 3jrm h SER 202 CO -0.03 0.31 -0.01 0.74 -1.14 0.00 0.00 176.83 176.70 3jrm h THR 203 N 0.14 0.74 -0.58 -2.27 2.02 -1.08 -0.52 112.91 111.36 3jrm h THR 203 Ca 0.06 -0.03 -0.04 0.00 0.77 0.00 0.00 66.41 67.17 3jrm h THR 203 Cb 0.14 0.65 -0.03 0.00 -1.74 0.00 0.00 68.15 67.18 3jrm h THR 203 CO -0.01 0.01 0.21 0.24 0.37 0.00 0.00 175.52 176.35 3jrm h MET 204 N 0.08 0.89 -0.75 6.66 2.07 -1.16 0.06 114.93 122.78 3jrm h MET 204 Ca 0.16 -0.17 -0.06 0.00 -2.07 0.00 0.00 59.70 57.56 3jrm h MET 204 Cb 0.23 -0.14 -0.03 0.00 -1.87 0.00 0.00 31.60 29.79 3jrm h MET 204 CO -0.28 0.78 0.25 0.28 1.07 0.00 0.00 176.91 179.00 3jrm h VAL 205 N 0.81 1.26 -0.55 -2.22 2.07 -0.66 -1.24 116.25 115.72 3jrm h VAL 205 Ca 0.19 -0.89 -0.08 0.00 0.82 0.00 0.00 66.70 66.75 3jrm h VAL 205 Cb 0.24 0.43 -0.02 0.00 -1.52 0.00 0.00 31.29 30.41 3jrm h VAL 205 CO -0.01 0.35 0.04 0.03 0.02 0.00 0.00 177.57 178.00 3jrm h ARG 206 N 1.10 0.94 -0.74 1.57 3.08 -0.65 -1.27 114.38 118.41 3jrm h ARG 206 Ca 0.24 -0.28 0.04 0.00 0.07 0.00 0.00 59.98 60.05 3jrm h ARG 206 Cb 0.29 -0.10 -0.05 0.00 0.08 0.00 0.00 29.97 30.19 3jrm h ARG 206 CO -0.01 0.94 0.45 0.00 -1.07 0.00 0.00 179.97 180.28 3jrm h ALA 207 N 0.97 0.98 -0.20 0.04 0.00 -0.73 -1.54 119.26 118.79 3jrm h ALA 207 Ca 0.16 -0.01 -0.15 0.00 0.00 0.00 0.00 54.91 54.91 3jrm h ALA 207 Cb 0.49 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.06 3jrm h ALA 207 CO 0.02 0.20 -0.51 0.28 0.00 0.00 0.00 179.25 179.24 3jrm h VAL 208 N 0.85 1.32 -0.09 0.00 2.07 -0.98 -0.61 116.25 118.81 3jrm h VAL 208 Ca 0.31 -1.73 0.02 0.00 0.82 0.00 0.00 66.70 66.12 3jrm h VAL 208 Cb 0.09 1.71 -0.03 0.00 -1.52 0.00 0.00 31.29 31.55 3jrm h VAL 208 CO -0.14 0.54 -0.06 0.40 0.02 0.00 0.00 177.57 178.33 3jrm h ILE 209 N 0.43 0.82 0.04 4.57 2.04 -0.81 -0.12 117.51 124.47 3jrm h ILE 209 Ca 0.02 0.00 0.01 0.00 1.00 0.00 0.00 64.86 65.89 3jrm h ILE 209 Cb 1.04 0.82 -0.01 0.00 -0.74 0.00 0.00 36.82 37.92 3jrm h ILE 209 CO 0.10 0.00 -0.09 -1.13 0.00 0.00 0.00 178.15 177.03 3jrm h ASN 210 N -0.06 -0.24 -0.90 1.72 -1.24 -1.16 -1.73 115.58 111.96 3jrm h ASN 210 Ca 0.06 0.03 0.02 0.00 0.71 0.00 0.00 56.30 57.11 3jrm h ASN 210 Cb 0.15 0.10 -0.05 0.00 0.73 0.00 0.00 38.32 39.25 3jrm h ASN 210 CO -0.13 -0.13 0.60 0.00 -1.29 0.00 0.00 177.43 176.47 3jrm h ALA 211 N 0.77 1.16 0.08 1.57 0.00 -0.84 -1.38 119.26 120.61 3jrm h ALA 211 Ca 0.02 -0.06 -0.00 0.00 0.00 0.00 0.00 54.91 54.87 3jrm h ALA 211 Cb 0.19 -0.35 0.00 0.00 0.00 0.00 0.00 17.79 17.63 3jrm h ALA 211 CO -0.06 0.52 -0.04 -0.92 0.00 0.00 0.00 179.25 178.75 3jrm h TYR 212 N 1.20 -0.10 -0.21 0.00 3.20 -0.90 -2.81 116.97 117.36 3jrm h TYR 212 Ca 0.34 -0.00 -0.06 0.00 3.14 0.00 0.00 58.73 62.14 3jrm h TYR 212 Cb -0.10 0.03 -0.01 0.00 1.54 0.00 0.00 36.73 38.18 3jrm h TYR 212 CO -0.01 0.29 -0.15 -0.07 -1.64 0.00 0.00 178.16 176.59 3jrm h LEU 213 N -0.51 0.33 -0.94 2.82 3.38 -1.08 -0.76 115.31 118.55 3jrm h LEU 213 Ca -0.01 -0.08 -0.00 0.00 0.09 0.00 0.00 57.88 57.88 3jrm h LEU 213 Cb 0.43 -0.09 -0.00 0.00 0.09 0.00 0.00 40.66 41.09 3jrm h LEU 213 CO 0.02 0.51 -0.01 -0.07 0.09 0.00 0.00 178.44 178.98 3jrm h LEU 214 N 0.32 0.00 -1.23 1.67 3.38 -1.30 -3.36 115.31 114.79 3jrm h LEU 214 Ca 0.06 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.03 3jrm h LEU 214 Cb 0.46 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.21 3jrm h LEU 214 CO 0.03 0.01 0.00 0.59 0.09 0.00 0.00 178.44 179.16 3jrm n ASN 215 N -3.10 1.05 0.23 -0.43 3.02 -0.65 -4.83 115.26 110.55 3jrm n ASN 215 Ca 0.02 -1.16 0.06 0.00 -0.03 0.00 0.00 54.58 53.47 3jrm n ASN 215 Cb 0.39 0.00 0.54 0.00 -0.61 0.00 0.00 39.78 40.10 3jrm n ASN 215 CO 0.00 0.00 0.00 4.11 -2.62 0.00 0.00 177.26 178.75 3jrm h TRP 216 N 0.00 0.02 -0.52 3.10 5.08 -1.34 -2.23 115.95 120.07 3jrm h TRP 216 Ca 0.00 -0.00 -0.02 0.00 1.08 0.00 0.00 58.89 59.95 3jrm h TRP 216 Cb 0.14 -0.01 -0.02 0.00 -3.00 0.00 0.00 29.16 26.28 3jrm h TRP 216 CO 0.00 0.13 0.23 0.87 -1.28 0.00 0.00 178.44 178.40 3jrm h LYS 217 N 0.02 0.76 0.00 0.12 1.57 -1.88 -2.13 116.57 115.03 3jrm h LYS 217 Ca 0.00 -0.12 -0.14 0.00 -1.87 0.00 0.00 60.65 58.52 3jrm h LYS 217 Cb 0.21 -0.13 -0.02 0.00 0.08 0.00 0.00 32.23 32.37 3jrm h LYS 217 CO 0.01 0.64 -0.68 0.87 -0.57 0.00 0.00 179.45 179.73 3jrm h LYS 218 N 0.69 0.00 -0.66 3.15 1.79 -1.63 -0.57 116.57 119.34 3jrm h LYS 218 Ca 0.18 0.00 0.05 0.00 -2.18 0.00 0.00 60.65 58.70 3jrm h LYS 218 Cb 0.15 0.00 -0.05 0.00 -1.58 0.00 0.00 32.23 30.75 3jrm h LYS 218 CO -0.02 0.68 0.37 -0.07 -1.08 0.00 0.00 179.45 179.34 3jrm h LEU 219 N 0.00 0.57 0.00 2.94 3.38 -0.96 -2.37 115.31 118.86 3jrm h LEU 219 Ca -0.01 0.02 -0.01 0.00 0.09 0.00 0.00 57.88 57.98 3jrm h LEU 219 Cb 1.22 -0.09 -0.00 0.00 0.09 0.00 0.00 40.66 41.88 3jrm h LEU 219 CO 0.09 0.37 -0.07 0.40 0.09 0.00 0.00 178.44 179.32 3jrm h ILE 220 N 0.70 1.58 -3.27 1.22 1.08 -1.28 -3.41 117.51 114.12 3jrm h ILE 220 Ca 0.29 -2.21 -0.66 0.00 -0.39 0.00 0.00 64.86 61.89 3jrm h ILE 220 Cb 0.16 3.01 -0.39 0.00 -3.07 0.00 0.00 36.82 36.52 3jrm h ILE 220 CO -0.17 0.54 -0.43 -1.10 -0.69 0.00 0.00 178.15 176.30 3jrm s GLN 221 N -2.17 2.59 0.00 2.37 -1.52 -0.23 -4.95 119.66 115.75 3jrm s GLN 221 Ca -0.18 -3.07 0.24 0.00 -1.95 0.00 0.00 55.36 50.40 3jrm s GLN 221 Cb -0.02 -3.59 1.31 0.00 -0.22 0.00 0.00 33.01 30.49 3jrm s GLN 221 CO 0.62 -1.23 1.80 -0.35 -0.25 0.00 0.00 175.29 175.88 3jrm n PRO 222 N 2.50 0.53 -3.83 2.91 -0.04 -0.90 -4.37 135.00 131.81 3jrm n PRO 222 Ca 0.15 0.04 -0.12 0.00 -0.04 0.00 0.00 63.50 63.53 3jrm n PRO 222 Cb 0.35 -1.50 -0.12 0.00 -0.04 0.00 0.00 33.50 32.19 3jrm n PRO 222 CO 0.00 0.00 0.00 1.03 -0.04 0.00 0.00 175.50 176.49 3jrm s ARG 223 N -2.31 0.21 -0.14 0.54 0.52 -1.26 -3.28 118.95 113.23 3jrm s ARG 223 Ca 0.29 0.14 -0.06 0.00 -0.52 0.00 0.00 55.73 55.58 3jrm s ARG 223 Cb 0.16 0.10 0.06 0.00 0.52 0.00 0.00 34.95 35.80 3jrm s ARG 223 CO 0.32 -0.03 0.30 0.95 0.02 0.00 0.00 175.30 176.86 3jrm s THR 224 N -0.09 -0.33 -0.33 0.02 -4.23 -1.26 -5.14 115.64 104.28 3jrm s THR 224 Ca -0.02 0.21 0.03 0.00 -1.18 0.00 0.00 61.69 60.74 3jrm s THR 224 Cb -0.02 -0.48 0.10 0.00 1.34 0.00 0.00 72.50 73.44 3jrm s THR 224 CO 0.00 0.09 0.05 -0.83 -0.54 0.00 0.00 174.62 173.40 3jrm s GLY 225 N 2.08 1.76 -0.61 3.99 0.00 -1.26 -5.07 107.32 108.21 3jrm s GLY 225 Ca -0.03 -2.34 -0.27 0.00 0.00 0.00 0.00 44.72 42.09 3jrm s GLY 225 CO -0.10 1.06 1.16 -1.59 0.00 0.00 0.00 173.10 173.63 3jrm s THR 226 N 1.05 4.03 -0.17 0.90 2.01 -1.26 -4.89 115.64 117.31 3jrm s THR 226 Ca 0.10 0.64 0.01 0.00 0.31 0.00 0.00 61.69 62.75 3jrm s THR 226 Cb -0.19 -4.73 0.24 0.00 0.01 0.00 0.00 72.50 67.83 3jrm s THR 226 CO -0.11 -1.42 1.40 0.47 -0.69 0.00 0.00 174.62 174.27 3jrm n ASP 227 N 8.44 3.55 -0.29 3.53 9.92 -1.26 -4.06 116.55 136.37 3jrm n ASP 227 Ca 0.06 -2.62 0.25 0.00 -0.53 0.00 0.00 54.79 51.95 3jrm n ASP 227 Cb 0.49 -0.67 0.58 0.00 -0.64 0.00 0.00 41.12 40.88 3jrm n ASP 227 CO 0.00 0.00 0.00 0.45 0.13 0.00 0.00 177.20 177.78 3jrm h HIS 228 N 0.46 0.43 0.00 1.24 3.86 -2.06 -2.51 115.15 116.57 3jrm h HIS 228 Ca 0.23 0.01 0.00 0.00 -1.16 0.00 0.00 60.37 59.46 3jrm h HIS 228 Cb 1.62 -0.13 0.00 0.00 1.06 0.00 0.00 27.41 29.97 3jrm h HIS 228 CO 0.60 0.05 0.00 0.52 0.86 0.00 0.00 177.93 179.96 3jrm h MET 229 N 0.27 0.00 -6.51 2.45 2.86 -2.01 -3.44 114.93 108.55 3jrm h MET 229 Ca 0.55 0.00 -0.69 0.00 -2.06 0.00 0.00 59.70 57.50 3jrm h MET 229 Cb 1.64 0.00 -0.22 0.00 0.06 0.00 0.00 31.60 33.07 3jrm h MET 229 CO -0.19 0.00 -0.79 0.71 1.06 0.00 0.00 176.91 177.70 3jrm s TYR 230 N -3.36 2.60 0.00 -0.22 2.02 -0.95 -5.27 117.35 112.16 3jrm s TYR 230 Ca 0.05 -0.23 0.00 0.00 -0.37 0.00 0.00 57.07 56.52 3jrm s TYR 230 Cb 0.08 -1.51 0.00 0.00 -0.40 0.00 0.00 41.96 40.13 3jrm s TYR 230 CO 0.56 0.23 0.00 0.45 -1.57 0.00 0.00 175.55 175.23