#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1eia s PRO 17 N 0.00 -0.53 0.03 1.09 0.04 -1.26 -5.01 135.00 129.36 1eia s PRO 17 Ca 0.00 1.04 0.11 0.00 0.04 0.00 0.00 61.00 62.19 1eia s PRO 17 Cb 0.00 -1.58 -0.21 0.00 0.04 0.00 0.00 34.50 32.75 1eia s PRO 17 CO 0.00 -3.52 0.91 0.00 0.04 0.00 0.00 177.00 174.43 1eia h ARG 18 N -2.49 0.00 -0.02 4.56 3.08 -1.94 -3.38 114.38 114.20 1eia h ARG 18 Ca -0.57 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.48 1eia h ARG 18 Cb 1.32 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.37 1eia h ARG 18 CO 0.48 0.65 -0.01 0.41 -1.07 0.00 0.00 179.97 180.43 1eia n GLY 19 N 1.46 -0.18 0.00 0.04 0.00 -1.26 -5.02 105.19 100.24 1eia n GLY 19 Ca -0.10 -0.36 0.00 0.00 0.00 0.00 0.00 46.02 45.56 1eia n GLY 19 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 1eia n TYR 20 N 0.69 0.00 0.00 1.61 9.36 -1.26 -3.82 117.16 123.74 1eia n TYR 20 Ca 0.07 0.00 0.00 0.00 3.32 0.00 0.00 57.90 61.29 1eia n TYR 20 Cb 0.32 0.00 0.00 0.00 -0.63 0.00 0.00 39.34 39.03 1eia n TYR 20 CO 0.00 0.00 0.00 2.41 0.22 0.00 0.00 176.86 179.49 1eia n THR 21 N 0.00 0.00 -0.20 2.97 -1.04 -1.26 0.14 114.28 114.89 1eia n THR 21 Ca 0.00 0.00 0.18 0.00 -2.04 0.00 0.00 64.05 62.19 1eia n THR 21 Cb 0.00 0.00 0.53 0.00 -1.82 0.00 0.00 70.33 69.04 1eia n THR 21 CO 0.00 0.00 0.00 0.74 -0.64 0.00 0.00 175.07 175.17 1eia h THR 22 N 0.00 0.71 -0.34 12.58 2.02 -2.01 0.22 112.91 126.09 1eia h THR 22 Ca 0.00 -0.13 0.07 0.00 0.77 0.00 0.00 66.41 67.12 1eia h THR 22 Cb 0.00 0.31 -0.07 0.00 -1.74 0.00 0.00 68.15 66.64 1eia h THR 22 CO 0.00 0.07 -0.16 -0.25 0.37 0.00 0.00 175.52 175.54 1eia h TRP 23 N 0.38 -0.40 -0.04 3.16 -0.00 0.11 -1.63 115.95 117.52 1eia h TRP 23 Ca 0.42 0.04 -0.00 0.00 -0.00 0.00 0.00 58.89 59.35 1eia h TRP 23 Cb 1.08 0.23 -0.00 0.00 -0.00 0.00 0.00 29.16 30.47 1eia h TRP 23 CO -0.00 -0.24 0.02 0.28 -0.00 0.00 0.00 178.44 178.50 1eia h VAL 24 N -0.11 1.08 -0.05 2.65 2.07 -0.69 -2.91 116.25 118.28 1eia h VAL 24 Ca 0.17 -0.22 -0.00 0.00 0.82 0.00 0.00 66.70 67.47 1eia h VAL 24 Cb 0.37 1.15 -0.00 0.00 -1.52 0.00 0.00 31.29 31.29 1eia h VAL 24 CO -0.41 0.06 0.01 0.78 0.02 0.00 0.00 177.57 178.03 1eia h ASN 25 N -0.03 0.07 -0.61 0.57 2.35 -1.28 -1.26 115.58 115.40 1eia h ASN 25 Ca 0.01 -0.23 0.12 0.00 -0.55 0.00 0.00 56.30 55.66 1eia h ASN 25 Cb 0.08 -0.02 -0.12 0.00 0.05 0.00 0.00 38.32 38.31 1eia h ASN 25 CO -0.00 0.28 -0.23 0.74 -1.65 0.00 0.00 177.43 176.56 1eia h THR 26 N -0.14 0.27 0.00 2.81 2.02 -1.36 1.04 112.91 117.55 1eia h THR 26 Ca 0.01 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.19 1eia h THR 26 Cb 0.24 0.27 0.00 0.00 -1.74 0.00 0.00 68.15 66.92 1eia h THR 26 CO 0.00 0.00 0.00 0.40 0.37 0.00 0.00 175.52 176.29 1eia h ILE 27 N -0.08 0.00 0.00 3.11 2.04 -1.39 -2.98 117.51 118.21 1eia h ILE 27 Ca 0.28 -0.38 -0.14 0.00 1.00 0.00 0.00 64.86 65.62 1eia h ILE 27 Cb 0.51 1.32 -0.02 0.00 -0.74 0.00 0.00 36.82 37.89 1eia h ILE 27 CO -0.67 0.00 -0.68 -0.61 0.00 0.00 0.00 178.15 176.19 1eia h GLN 28 N 0.00 0.00 0.00 2.37 4.15 0.23 -3.16 115.11 118.71 1eia h GLN 28 Ca 0.00 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.42 1eia h GLN 28 Cb 0.40 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.09 1eia h GLN 28 CO 0.00 0.68 0.00 0.25 -1.93 0.00 0.00 178.83 177.83 1eia n THR 29 N -3.46 0.00 -2.16 2.39 -2.24 -0.93 -4.80 114.28 103.07 1eia n THR 29 Ca 0.00 0.00 -0.43 0.00 -2.27 0.00 0.00 64.05 61.35 1eia n THR 29 Cb 0.73 -0.85 -0.02 0.00 -2.10 0.00 0.00 70.33 68.09 1eia n THR 29 CO 0.00 0.00 0.00 0.21 -0.57 0.00 0.00 175.07 174.71 1eia s ASN 30 N -1.00 6.33 0.17 3.42 3.04 -1.26 -4.72 114.94 120.92 1eia s ASN 30 Ca 0.00 1.41 0.00 0.00 0.04 0.00 0.00 52.86 54.31 1eia s ASN 30 Cb 0.00 -2.53 0.00 0.00 -1.54 0.00 0.00 41.25 37.18 1eia s ASN 30 CO 0.00 -1.33 0.00 0.61 -3.04 0.00 0.00 177.10 173.34 1eia n GLY 31 N 4.80 -0.16 0.00 1.21 0.00 -1.19 -4.75 105.19 105.10 1eia n GLY 31 Ca 0.19 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.21 1eia n GLY 31 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1eia n LEU 32 N -3.39 0.00 -3.64 0.99 7.94 -1.26 -2.20 117.00 115.45 1eia n LEU 32 Ca 0.00 0.86 -0.41 0.00 -1.11 0.00 0.00 56.01 55.35 1eia n LEU 32 Cb 0.00 -0.36 -0.00 0.00 0.53 0.00 0.00 43.42 43.58 1eia n LEU 32 CO 0.00 -0.36 2.43 0.18 -1.11 0.00 0.00 177.39 178.52 1eia n LEU 33 N -2.18 7.46 -3.83 -1.96 4.77 -1.26 -4.52 117.00 115.49 1eia n LEU 33 Ca 0.00 -4.61 -0.12 0.00 -0.03 0.00 0.00 56.01 51.24 1eia n LEU 33 Cb 0.00 -1.48 -0.13 0.00 -2.33 0.00 0.00 43.42 39.49 1eia n LEU 33 CO 0.00 1.67 -0.21 0.21 -1.33 0.00 0.00 177.39 177.73 1eia s ASN 34 N 1.22 -0.13 0.35 -1.43 3.84 -0.94 -4.64 114.94 113.22 1eia s ASN 34 Ca 0.50 0.25 0.17 0.00 0.21 0.00 0.00 52.86 53.98 1eia s ASN 34 Cb 0.14 0.27 1.18 0.00 -0.55 0.00 0.00 41.25 42.30 1eia s ASN 34 CO -0.05 -0.06 1.63 -0.33 -2.79 0.00 0.00 177.10 175.50 1eia h GLU 35 N 5.85 0.21 0.25 0.43 5.08 -1.88 0.86 114.58 125.37 1eia h GLU 35 Ca -0.25 -0.01 -0.01 0.00 -1.00 0.00 0.00 59.36 58.09 1eia h GLU 35 Cb 1.20 -0.05 -0.01 0.00 0.50 0.00 0.00 28.75 30.40 1eia h GLU 35 CO 0.42 0.14 -0.16 0.00 -1.00 0.00 0.00 179.01 178.40 1eia h ALA 36 N 1.90 -0.39 -0.66 3.43 0.00 -1.93 0.47 119.26 122.08 1eia h ALA 36 Ca 0.78 -0.07 -0.07 0.00 0.00 0.00 0.00 54.91 55.54 1eia h ALA 36 Cb 1.88 0.21 -0.03 0.00 0.00 0.00 0.00 17.79 19.85 1eia h ALA 36 CO -0.66 -0.73 0.14 0.77 0.00 0.00 0.00 179.25 178.77 1eia h SER 37 N -0.41 1.01 0.67 0.00 0.02 -1.09 0.66 113.55 114.41 1eia h SER 37 Ca -0.02 -0.22 -0.03 0.00 -0.84 0.00 0.00 61.79 60.69 1eia h SER 37 Cb 0.35 -0.27 -0.01 0.00 0.14 0.00 0.00 62.40 62.61 1eia h SER 37 CO 0.01 0.98 -0.49 -0.61 -1.14 0.00 0.00 176.83 175.59 1eia h GLN 38 N 1.00 -1.07 -0.65 3.45 4.15 -0.59 1.00 115.11 122.40 1eia h GLN 38 Ca 0.21 0.07 0.03 0.00 0.77 0.00 0.00 58.65 59.73 1eia h GLN 38 Cb 0.39 0.24 -0.04 0.00 0.21 0.00 0.00 27.48 28.28 1eia h GLN 38 CO 0.01 -0.71 0.40 -0.91 -1.93 0.00 0.00 178.83 175.68 1eia h ASN 39 N -1.11 0.65 0.07 -0.69 -0.26 0.15 -0.63 115.58 113.76 1eia h ASN 39 Ca -0.09 0.00 0.01 0.00 -0.56 0.00 0.00 56.30 55.67 1eia h ASN 39 Cb 0.92 -0.13 -0.02 0.00 -1.06 0.00 0.00 38.32 38.02 1eia h ASN 39 CO 0.04 0.45 -0.15 0.25 -1.06 0.00 0.00 177.43 176.95 1eia h LEU 40 N 0.78 -0.42 -0.82 1.61 5.85 0.80 0.16 115.31 123.27 1eia h LEU 40 Ca 0.27 0.05 0.12 0.00 0.84 0.00 0.00 57.88 59.15 1eia h LEU 40 Cb 0.04 0.17 -0.08 0.00 0.37 0.00 0.00 40.66 41.16 1eia h LEU 40 CO -0.11 -0.22 0.44 0.15 -0.34 0.00 0.00 178.44 178.35 1eia h PHE 41 N -0.29 0.79 -0.15 1.25 3.57 0.15 0.14 116.94 122.40 1eia h PHE 41 Ca 0.03 0.03 0.02 0.00 3.53 0.00 0.00 57.97 61.58 1eia h PHE 41 Cb 0.32 -0.23 -0.02 0.00 2.79 0.00 0.00 35.95 38.81 1eia h PHE 41 CO -0.17 0.26 0.02 0.78 -2.23 0.00 0.00 178.31 176.98 1eia h GLY 42 N 0.70 0.16 0.95 2.40 0.00 -0.05 0.61 103.07 107.84 1eia h GLY 42 Ca 0.42 -0.01 -0.03 0.00 0.00 0.00 0.00 47.33 47.71 1eia h GLY 42 CO -0.30 -0.00 -0.26 -2.22 0.00 0.00 0.00 176.54 173.76 1eia h ILE 43 N 0.08 0.45 0.14 2.60 2.04 0.50 -3.30 117.51 120.03 1eia h ILE 43 Ca 0.07 -0.09 -0.01 0.00 1.00 0.00 0.00 64.86 65.83 1eia h ILE 43 Cb 0.06 0.49 0.00 0.00 -0.74 0.00 0.00 36.82 36.64 1eia h ILE 43 CO -0.10 0.01 -0.07 -0.07 0.00 0.00 0.00 178.15 177.93 1eia h LEU 44 N -0.79 -0.16 0.00 1.44 3.38 -0.65 -3.23 115.31 115.30 1eia h LEU 44 Ca -0.07 -0.11 0.00 0.00 0.09 0.00 0.00 57.88 57.79 1eia h LEU 44 Cb 0.59 0.04 0.00 0.00 0.09 0.00 0.00 40.66 41.38 1eia h LEU 44 CO 0.12 0.01 0.02 -1.54 0.09 0.00 0.00 178.44 177.15 1eia n SER 45 N -5.11 0.00 -4.73 -0.43 3.41 0.21 -4.77 113.62 102.21 1eia n SER 45 Ca -0.09 0.13 -0.42 0.00 -0.26 0.00 0.00 58.87 58.23 1eia n SER 45 Cb 0.15 -0.13 -0.03 0.00 -0.26 0.00 0.00 64.21 63.95 1eia n SER 45 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 1eia s VAL 46 N -2.14 2.60 0.00 -3.33 1.01 -1.22 -2.95 120.40 114.37 1eia s VAL 46 Ca 0.00 0.45 0.00 0.00 0.00 0.00 0.00 61.98 62.43 1eia s VAL 46 Cb 0.00 -3.29 0.00 0.00 0.00 0.00 0.00 36.38 33.09 1eia s VAL 46 CO 0.00 0.05 0.00 0.47 0.00 0.00 0.00 175.10 175.62 1eia n ASP 47 N 3.44 0.00 -4.58 3.32 8.00 -1.26 -5.00 116.55 120.47 1eia n ASP 47 Ca 0.12 0.00 -0.30 0.00 0.71 0.00 0.00 54.79 55.32 1eia n ASP 47 Cb 0.39 -0.26 0.20 0.00 -0.02 0.00 0.00 41.12 41.43 1eia n ASP 47 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1eia s THR 49 N -2.54 2.37 0.14 0.00 -4.23 -1.26 -4.87 115.64 105.25 1eia s THR 49 Ca 0.67 -0.49 -0.18 0.00 -1.18 0.00 0.00 61.69 60.52 1eia s THR 49 Cb -0.24 -2.88 -0.02 0.00 1.34 0.00 0.00 72.50 70.70 1eia s THR 49 CO 0.61 0.00 1.76 0.28 -0.54 0.00 0.00 174.62 176.73 1eia h SER 50 N -0.39 0.15 0.08 3.99 0.02 -1.88 -1.50 113.55 114.02 1eia h SER 50 Ca -0.41 0.02 0.02 0.00 -0.84 0.00 0.00 61.79 60.58 1eia h SER 50 Cb 1.29 -0.00 -0.04 0.00 0.14 0.00 0.00 62.40 63.79 1eia h SER 50 CO 0.51 0.12 -0.33 -0.08 -1.14 0.00 0.00 176.83 175.91 1eia h GLU 51 N 0.25 -0.51 -0.29 3.45 4.81 -1.85 0.32 114.58 120.76 1eia h GLU 51 Ca 0.12 0.03 0.08 0.00 -0.13 0.00 0.00 59.36 59.47 1eia h GLU 51 Cb 0.07 0.11 -0.01 0.00 0.63 0.00 0.00 28.75 29.55 1eia h GLU 51 CO -0.11 -0.34 0.31 1.49 -0.73 0.00 0.00 179.01 179.64 1eia h GLU 52 N -0.52 0.00 0.08 1.92 4.81 -1.84 0.25 114.58 119.28 1eia h GLU 52 Ca 0.04 0.00 -0.28 0.00 -0.13 0.00 0.00 59.36 59.00 1eia h GLU 52 Cb 0.58 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.94 1eia h GLU 52 CO -0.22 0.00 -1.36 0.52 -0.73 0.00 0.00 179.01 177.22 1eia h MET 53 N 0.00 0.18 -0.21 1.92 2.86 -0.09 -3.12 114.93 116.47 1eia h MET 53 Ca 0.14 -0.30 -0.06 0.00 -2.06 0.00 0.00 59.70 57.42 1eia h MET 53 Cb 0.76 0.11 -0.01 0.00 0.06 0.00 0.00 31.60 32.52 1eia h MET 53 CO -0.00 1.05 -0.13 -0.91 1.06 0.00 0.00 176.91 177.99 1eia h ASN 54 N 0.05 0.32 -0.52 1.22 -0.26 0.13 -1.02 115.58 115.50 1eia h ASN 54 Ca -0.17 -0.07 -0.01 0.00 -0.56 0.00 0.00 56.30 55.49 1eia h ASN 54 Cb 1.95 -0.09 -0.03 0.00 -1.06 0.00 0.00 38.32 39.10 1eia h ASN 54 CO 0.16 0.48 0.31 0.00 -1.06 0.00 0.00 177.43 177.32 1eia h ALA 55 N 1.55 1.53 -0.60 -0.83 0.00 -0.73 0.47 119.26 120.64 1eia h ALA 55 Ca 0.06 -0.08 -0.07 0.00 0.00 0.00 0.00 54.91 54.83 1eia h ALA 55 Cb 0.42 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.97 1eia h ALA 55 CO 0.02 0.40 0.11 0.74 0.00 0.00 0.00 179.25 180.53 1eia h PHE 56 N 0.75 1.05 -0.47 0.00 -1.00 -1.14 -1.91 116.94 114.22 1eia h PHE 56 Ca 0.19 -0.14 -0.04 0.00 2.81 0.00 0.00 57.97 60.79 1eia h PHE 56 Cb -0.00 -0.29 -0.02 0.00 3.61 0.00 0.00 35.95 39.25 1eia h PHE 56 CO 0.00 0.90 0.11 -0.07 -1.61 0.00 0.00 178.31 177.64 1eia h LEU 57 N 0.89 0.65 -0.45 1.54 3.38 -0.60 -2.65 115.31 118.07 1eia h LEU 57 Ca 0.18 -0.10 -0.17 0.00 0.09 0.00 0.00 57.88 57.88 1eia h LEU 57 Cb 0.41 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 40.97 1eia h LEU 57 CO 0.01 0.65 -0.77 0.44 0.09 0.00 0.00 178.44 178.85 1eia h ASP 58 N 0.68 0.13 1.30 -0.43 3.32 -0.65 -3.07 116.42 117.71 1eia h ASP 58 Ca 0.15 -0.10 0.00 0.00 0.02 0.00 0.00 57.03 57.11 1eia h ASP 58 Cb 0.26 -0.04 0.00 0.00 0.22 0.00 0.00 39.33 39.77 1eia h ASP 58 CO -0.00 0.85 0.00 0.58 -1.72 0.00 0.00 179.24 178.95 1eia h VAL 59 N 0.07 0.00 -1.26 -1.35 2.07 -1.07 -3.45 116.25 111.25 1eia h VAL 59 Ca -0.02 -0.65 -0.78 0.00 0.82 0.00 0.00 66.70 66.08 1eia h VAL 59 Cb 1.35 1.64 0.04 0.00 -1.52 0.00 0.00 31.29 32.80 1eia h VAL 59 CO 0.11 0.00 0.44 0.52 0.02 0.00 0.00 177.57 178.66 1eia n VAL 60 N -3.08 0.05 0.00 2.57 0.31 -1.02 -4.93 118.33 112.23 1eia n VAL 60 Ca 0.02 -0.01 0.00 0.00 -0.01 0.00 0.00 64.34 64.34 1eia n VAL 60 Cb 0.37 -0.52 0.00 0.00 -0.91 0.00 0.00 33.84 32.78 1eia n VAL 60 CO 0.00 0.00 0.00 -2.65 -1.32 0.00 0.00 176.83 172.86 1eia n PRO 61 N 2.98 0.00 -2.29 5.55 -0.02 -1.26 -4.82 135.00 135.13 1eia n PRO 61 Ca 0.23 0.00 -0.17 0.00 -2.02 0.00 0.00 63.50 61.54 1eia n PRO 61 Cb 0.08 0.00 0.03 0.00 -0.02 0.00 0.00 33.50 33.59 1eia n PRO 61 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1eia n GLY 62 N 0.00 4.98 2.46 -1.23 0.00 -1.26 -4.81 105.19 105.33 1eia n GLY 62 Ca 0.00 -2.20 -0.28 0.00 0.00 0.00 0.00 46.02 43.53 1eia n GLY 62 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1eia n GLN 63 N -0.64 2.73 -0.31 1.61 1.13 -1.26 -4.74 117.38 115.90 1eia n GLN 63 Ca 0.33 -2.44 0.04 0.00 -1.94 0.00 0.00 57.00 52.98 1eia n GLN 63 Cb 0.90 -2.22 0.11 0.00 0.11 0.00 0.00 30.24 29.14 1eia n GLN 63 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1eia n ALA 64 N 1.12 0.16 -0.05 -1.58 0.00 -1.26 0.13 120.51 119.02 1eia n ALA 64 Ca 0.51 0.93 -0.12 0.00 0.00 0.00 0.00 53.44 54.76 1eia n ALA 64 Cb 0.52 -0.54 -0.06 0.00 0.00 0.00 0.00 19.45 19.37 1eia n ALA 64 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 1eia h GLY 65 N 0.00 0.30 1.00 0.00 0.00 -2.00 -2.38 103.07 99.98 1eia h GLY 65 Ca 0.40 -0.23 -0.03 0.00 0.00 0.00 0.00 47.33 47.46 1eia h GLY 65 CO -0.88 0.21 0.27 1.46 0.00 0.00 0.00 176.54 177.60 1eia h GLN 66 N 0.00 0.91 -0.62 4.80 4.20 -1.08 -2.56 115.11 120.75 1eia h GLN 66 Ca 0.04 -0.15 0.01 0.00 0.06 0.00 0.00 58.65 58.61 1eia h GLN 66 Cb 0.41 -0.15 -0.03 0.00 0.30 0.00 0.00 27.48 28.00 1eia h GLN 66 CO 0.01 0.76 0.41 -0.22 -0.67 0.00 0.00 178.83 179.12 1eia h LYS 67 N 0.86 0.80 -0.06 1.46 3.64 0.12 -0.06 116.57 123.33 1eia h LYS 67 Ca 0.21 -0.05 -0.12 0.00 -1.27 0.00 0.00 60.65 59.43 1eia h LYS 67 Cb 0.17 -0.18 -0.01 0.00 -0.41 0.00 0.00 32.23 31.79 1eia h LYS 67 CO -0.02 0.53 -0.49 1.96 -2.27 0.00 0.00 179.45 179.15 1eia h GLN 68 N 0.82 0.14 -0.44 1.90 1.08 -1.09 0.23 115.11 117.76 1eia h GLN 68 Ca 0.23 -0.08 -0.08 0.00 -1.45 0.00 0.00 58.65 57.28 1eia h GLN 68 Cb -0.06 0.00 -0.02 0.00 -0.05 0.00 0.00 27.48 27.36 1eia h GLN 68 CO -0.05 0.61 -0.03 0.82 -0.95 0.00 0.00 178.83 179.23 1eia h ILE 69 N 0.12 1.27 0.77 2.54 2.04 -0.81 0.22 117.51 123.65 1eia h ILE 69 Ca 0.00 -1.08 -0.04 0.00 1.00 0.00 0.00 64.86 64.74 1eia h ILE 69 Cb 0.92 1.09 0.01 0.00 -0.74 0.00 0.00 36.82 38.10 1eia h ILE 69 CO 0.07 0.37 -0.37 0.25 0.00 0.00 0.00 178.15 178.47 1eia h LEU 70 N 0.62 -0.87 -0.62 1.44 5.85 -0.49 -1.13 115.31 120.11 1eia h LEU 70 Ca 0.12 0.01 0.08 0.00 0.84 0.00 0.00 57.88 58.94 1eia h LEU 70 Cb 0.53 0.23 -0.07 0.00 0.37 0.00 0.00 40.66 41.72 1eia h LEU 70 CO 0.03 -0.54 0.27 -0.07 -0.34 0.00 0.00 178.44 177.78 1eia h LEU 71 N -1.18 0.32 -0.83 2.25 3.38 -0.53 -0.60 115.31 118.12 1eia h LEU 71 Ca -0.11 0.06 -0.02 0.00 0.09 0.00 0.00 57.88 57.91 1eia h LEU 71 Cb 0.81 0.02 -0.04 0.00 0.09 0.00 0.00 40.66 41.53 1eia h LEU 71 CO 0.17 0.20 0.43 0.44 0.09 0.00 0.00 178.44 179.77 1eia h ASP 72 N 0.48 1.06 -0.66 -0.43 3.45 -0.53 -1.06 116.42 118.72 1eia h ASP 72 Ca 0.30 -0.11 0.00 0.00 0.43 0.00 0.00 57.03 57.65 1eia h ASP 72 Cb 0.32 -0.27 -0.03 0.00 -0.56 0.00 0.00 39.33 38.79 1eia h ASP 72 CO -0.26 0.87 0.43 0.00 -1.57 0.00 0.00 179.24 178.71 1eia h ALA 73 N 1.23 0.84 -0.47 3.45 0.00 -0.11 -1.62 119.26 122.58 1eia h ALA 73 Ca 0.29 -0.05 0.01 0.00 0.00 0.00 0.00 54.91 55.16 1eia h ALA 73 Cb 0.07 -0.27 -0.03 0.00 0.00 0.00 0.00 17.79 17.56 1eia h ALA 73 CO -0.04 0.28 0.30 0.82 0.00 0.00 0.00 179.25 180.61 1eia h ILE 74 N 0.90 1.09 -0.71 0.00 2.04 -0.48 -2.05 117.51 118.30 1eia h ILE 74 Ca 0.24 -0.21 0.07 0.00 1.00 0.00 0.00 64.86 65.96 1eia h ILE 74 Cb -0.08 0.43 -0.06 0.00 -0.74 0.00 0.00 36.82 36.37 1eia h ILE 74 CO -0.05 0.11 0.40 0.44 0.00 0.00 0.00 178.15 179.05 1eia h ASP 75 N 0.61 0.59 -0.44 1.72 3.32 -0.52 -0.41 116.42 121.28 1eia h ASP 75 Ca 0.18 0.03 0.03 0.00 0.02 0.00 0.00 57.03 57.29 1eia h ASP 75 Cb -0.04 -0.08 -0.04 0.00 0.22 0.00 0.00 39.33 39.39 1eia h ASP 75 CO -0.06 0.37 0.24 0.50 -1.72 0.00 0.00 179.24 178.57 1eia h LYS 76 N 0.72 0.46 -0.45 3.56 3.64 -0.74 0.40 116.57 124.16 1eia h LYS 76 Ca 0.32 -0.03 -0.11 0.00 -1.27 0.00 0.00 60.65 59.56 1eia h LYS 76 Cb 0.22 -0.10 -0.02 0.00 -0.41 0.00 0.00 32.23 31.92 1eia h LYS 76 CO -0.19 0.30 -0.17 0.82 -2.27 0.00 0.00 179.45 177.94 1eia h ILE 77 N 0.47 1.27 -0.37 2.00 2.04 -0.95 -1.12 117.51 120.85 1eia h ILE 77 Ca 0.19 -1.29 -0.07 0.00 1.00 0.00 0.00 64.86 64.69 1eia h ILE 77 Cb 0.07 1.10 -0.01 0.00 -0.74 0.00 0.00 36.82 37.23 1eia h ILE 77 CO -0.12 0.44 -0.04 0.00 0.00 0.00 0.00 178.15 178.43 1eia h ALA 78 N 1.03 0.50 -0.60 1.87 0.00 -0.52 -0.67 119.26 120.88 1eia h ALA 78 Ca 0.11 -0.28 -0.07 0.00 0.00 0.00 0.00 54.91 54.67 1eia h ALA 78 Cb 0.70 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.33 1eia h ALA 78 CO 0.05 0.31 0.08 -0.44 0.00 0.00 0.00 179.25 179.25 1eia h ASP 79 N 0.48 0.94 -0.53 0.00 3.45 -0.11 -1.99 116.42 118.67 1eia h ASP 79 Ca 0.10 -0.22 0.00 0.00 0.43 0.00 0.00 57.03 57.34 1eia h ASP 79 Cb 0.53 -0.25 -0.03 0.00 -0.56 0.00 0.00 39.33 39.02 1eia h ASP 79 CO 0.03 0.95 0.33 -0.78 -1.57 0.00 0.00 179.24 178.20 1eia h ASP 80 N 0.92 0.63 -0.54 6.45 1.82 -0.91 -1.93 116.42 122.86 1eia h ASP 80 Ca 0.18 -0.04 0.07 0.00 -0.39 0.00 0.00 57.03 56.85 1eia h ASP 80 Cb 0.43 -0.16 -0.06 0.00 0.68 0.00 0.00 39.33 40.22 1eia h ASP 80 CO 0.01 0.48 0.23 -0.25 -1.61 0.00 0.00 179.24 178.11 1eia h TRP 81 N 0.71 0.42 -0.83 0.28 2.91 -0.56 -1.27 115.95 117.61 1eia h TRP 81 Ca 0.19 0.02 -0.03 0.00 1.13 0.00 0.00 58.89 60.20 1eia h TRP 81 Cb -0.04 -0.11 -0.04 0.00 -0.51 0.00 0.00 29.16 28.47 1eia h TRP 81 CO -0.03 0.16 0.39 -0.44 -1.03 0.00 0.00 178.44 177.49 1eia h ASP 82 N 0.44 1.08 -0.48 2.65 3.45 -0.79 0.65 116.42 123.43 1eia h ASP 82 Ca 0.26 -0.13 -0.11 0.00 0.43 0.00 0.00 57.03 57.47 1eia h ASP 82 Cb 0.24 -0.28 -0.01 0.00 -0.56 0.00 0.00 39.33 38.72 1eia h ASP 82 CO -0.23 0.92 -0.15 0.78 -1.57 0.00 0.00 179.24 179.00 1eia h ASN 83 N 1.18 0.96 -0.56 6.45 2.35 -0.96 -0.30 115.58 124.69 1eia h ASN 83 Ca 0.28 -0.37 -0.11 0.00 -0.55 0.00 0.00 56.30 55.55 1eia h ASN 83 Cb 0.13 -0.26 -0.02 0.00 0.05 0.00 0.00 38.32 38.22 1eia h ASN 83 CO -0.03 1.11 -0.08 -0.09 -1.65 0.00 0.00 177.43 176.69 1eia h ARG 84 N 0.79 1.04 -2.16 0.81 9.65 -0.84 -3.33 114.38 120.34 1eia h ARG 84 Ca 0.12 -0.37 -0.59 0.00 -1.10 0.00 0.00 59.98 58.04 1eia h ARG 84 Cb 0.71 -0.07 -0.41 0.00 -1.39 0.00 0.00 29.97 28.80 1eia h ARG 84 CO 0.05 1.06 -0.70 0.72 2.80 0.00 0.00 179.97 183.91 1eia n HIS 85 N -4.17 2.96 -1.93 2.20 8.25 0.22 -5.09 115.22 117.67 1eia n HIS 85 Ca 0.02 -4.04 -0.41 0.00 -0.26 0.00 0.00 57.72 53.03 1eia n HIS 85 Cb 0.39 -0.51 -0.02 0.00 1.12 0.00 0.00 29.99 30.96 1eia n HIS 85 CO 0.00 0.00 0.00 -1.25 0.64 0.00 0.00 176.34 175.73 1eia s PRO 86 N -2.38 4.21 -0.39 -0.41 0.04 -0.14 -4.63 135.00 131.31 1eia s PRO 86 Ca 0.40 2.40 0.11 0.00 0.04 0.00 0.00 61.00 63.95 1eia s PRO 86 Cb 0.17 -3.09 0.34 0.00 0.04 0.00 0.00 34.50 31.97 1eia s PRO 86 CO -0.04 -0.51 0.79 1.28 0.04 0.00 0.00 177.00 178.55 1eia n LEU 87 N 2.49 0.26 -4.63 -3.56 4.77 -1.26 -5.10 117.00 109.97 1eia n LEU 87 Ca 0.08 -4.77 -0.30 0.00 -0.03 0.00 0.00 56.01 50.98 1eia n LEU 87 Cb 0.39 0.75 0.19 0.00 -2.33 0.00 0.00 43.42 42.42 1eia n LEU 87 CO 0.62 2.24 0.65 -2.16 -1.33 0.00 0.00 177.39 177.41 1eia s PRO 88 N -1.92 0.55 0.00 3.23 0.04 -1.26 -2.53 135.00 133.11 1eia s PRO 88 Ca 0.37 1.43 0.00 0.00 0.04 0.00 0.00 61.00 62.84 1eia s PRO 88 Cb 0.33 -1.68 0.00 0.00 0.04 0.00 0.00 34.50 33.19 1eia s PRO 88 CO -0.08 -2.91 0.00 0.09 0.04 0.00 0.00 177.00 174.14 1eia n ASN 89 N -4.42 -2.30 -4.75 6.66 3.02 -1.26 -5.02 115.26 107.19 1eia n ASN 89 Ca 0.10 0.00 -0.38 0.00 -0.03 0.00 0.00 54.58 54.27 1eia n ASN 89 Cb 0.52 -0.38 -0.06 0.00 -0.61 0.00 0.00 39.78 39.25 1eia n ASN 89 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1eia s ALA 90 N -2.22 3.53 0.94 5.41 0.00 -1.05 -5.07 121.76 123.29 1eia s ALA 90 Ca 0.00 -0.21 -0.12 0.00 0.00 0.00 0.00 51.96 51.63 1eia s ALA 90 Cb 0.00 -2.57 0.15 0.00 0.00 0.00 0.00 23.12 20.70 1eia s ALA 90 CO 0.00 0.11 1.10 -1.25 0.00 0.00 0.00 175.76 175.72 1eia s PRO 91 N 0.22 0.91 0.00 0.00 0.04 -1.26 -4.97 135.00 129.95 1eia s PRO 91 Ca 0.25 0.61 0.24 0.00 0.04 0.00 0.00 61.00 62.14 1eia s PRO 91 Cb -0.15 -1.79 0.26 0.00 0.04 0.00 0.00 34.50 32.86 1eia s PRO 91 CO 0.11 -2.42 1.24 1.28 0.04 0.00 0.00 177.00 177.25 1eia n LEU 92 N -3.98 1.14 -3.87 -3.56 4.77 -1.26 -4.78 117.00 105.46 1eia n LEU 92 Ca 0.06 -0.38 -0.27 0.00 -0.03 0.00 0.00 56.01 55.39 1eia n LEU 92 Cb 0.57 -0.09 -0.17 0.00 -2.33 0.00 0.00 43.42 41.40 1eia n LEU 92 CO 0.57 0.24 -0.42 -0.69 -1.33 0.00 0.00 177.39 175.75 1eia s VAL 93 N -2.74 0.93 -0.02 4.08 1.01 -1.26 -3.26 120.40 119.14 1eia s VAL 93 Ca 0.16 -0.35 -0.36 0.00 0.00 0.00 0.00 61.98 61.42 1eia s VAL 93 Cb 0.18 -1.05 -0.14 0.00 0.00 0.00 0.00 36.38 35.37 1eia s VAL 93 CO 0.67 0.24 1.66 0.00 0.00 0.00 0.00 175.10 177.67 1eia n ALA 94 N 4.96 0.45 -1.77 5.51 0.00 0.28 -4.88 120.51 125.06 1eia n ALA 94 Ca -0.11 0.40 -0.41 0.00 0.00 0.00 0.00 53.44 53.31 1eia n ALA 94 Cb 0.49 -2.32 -0.02 0.00 0.00 0.00 0.00 19.45 17.60 1eia n ALA 94 CO 0.00 0.00 0.00 -2.14 0.00 0.00 0.00 177.50 175.36 1eia s PRO 95 N 2.37 4.13 0.27 0.00 0.02 -1.26 -4.87 135.00 135.65 1eia s PRO 95 Ca 0.88 2.56 -0.03 0.00 0.02 0.00 0.00 61.00 64.42 1eia s PRO 95 Cb -0.81 -3.03 0.34 0.00 0.02 0.00 0.00 34.50 31.02 1eia s PRO 95 CO 0.49 -0.61 1.86 -1.00 -0.33 0.00 0.00 177.00 177.42 1eia h PRO 96 N 4.73 1.03 -5.25 5.54 0.13 -1.97 -3.40 132.00 132.81 1eia h PRO 96 Ca -0.47 -0.15 -0.66 0.00 -0.87 0.00 0.00 66.00 63.85 1eia h PRO 96 Cb 1.22 -0.19 -0.28 0.00 0.13 0.00 0.00 31.00 31.88 1eia h PRO 96 CO 0.78 0.81 -0.78 1.14 -0.23 0.00 0.00 178.00 179.72 1eia s GLN 97 N -5.56 3.32 0.00 0.86 1.03 -1.26 -5.05 119.66 113.00 1eia s GLN 97 Ca -0.11 -0.71 0.00 0.00 0.04 0.00 0.00 55.36 54.58 1eia s GLN 97 Cb 0.16 -2.65 0.00 0.00 0.03 0.00 0.00 33.01 30.55 1eia s GLN 97 CO 0.81 0.11 0.00 0.41 -2.54 0.00 0.00 175.29 174.08 1eia n GLY 98 N 3.82 2.66 3.76 2.60 0.00 -1.26 -5.05 105.19 111.72 1eia n GLY 98 Ca -0.18 -2.01 -0.39 0.00 0.00 0.00 0.00 46.02 43.43 1eia n GLY 98 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 1eia s PRO 99 N -2.62 3.47 -0.39 1.61 0.02 -1.26 -4.85 135.00 130.98 1eia s PRO 99 Ca 0.00 2.31 -0.17 0.00 0.02 0.00 0.00 61.00 63.15 1eia s PRO 99 Cb 0.00 -2.49 0.01 0.00 0.02 0.00 0.00 34.50 32.04 1eia s PRO 99 CO 0.00 -0.95 0.46 0.42 -0.33 0.00 0.00 177.00 176.60 1eia s ILE 100 N -1.26 5.07 0.15 2.83 1.01 -1.26 -4.81 121.20 122.93 1eia s ILE 100 Ca 0.65 -0.10 -0.34 0.00 0.00 0.00 0.00 60.65 60.86 1eia s ILE 100 Cb -0.42 -4.00 -0.14 0.00 0.01 0.00 0.00 42.46 37.91 1eia s ILE 100 CO 0.52 -0.34 1.51 -0.81 0.00 0.00 0.00 174.94 175.82 1eia n PRO 101 N 5.65 1.93 -2.03 2.79 -0.04 -1.26 -4.83 135.00 137.21 1eia n PRO 101 Ca -0.07 0.69 -0.42 0.00 -0.04 0.00 0.00 63.50 63.67 1eia n PRO 101 Cb 0.48 -2.43 0.00 0.00 -0.04 0.00 0.00 33.50 31.51 1eia n PRO 101 CO 0.00 0.00 0.00 -0.12 -0.04 0.00 0.00 175.50 175.34 1eia n MET 102 N 3.10 3.05 -3.56 0.54 1.56 -1.26 -4.75 117.12 115.81 1eia n MET 102 Ca 0.17 -2.91 -0.22 0.00 -0.27 0.00 0.00 57.70 54.47 1eia n MET 102 Cb 0.27 -3.27 -0.01 0.00 2.15 0.00 0.00 33.22 32.36 1eia n MET 102 CO 0.00 0.00 0.00 0.95 -0.73 0.00 0.00 175.97 176.19 1eia s THR 103 N 2.93 4.89 0.23 1.12 -4.23 -1.26 -4.95 115.64 114.37 1eia s THR 103 Ca 0.47 -0.73 -0.07 0.00 -1.18 0.00 0.00 61.69 60.19 1eia s THR 103 Cb 0.11 -3.75 0.18 0.00 1.34 0.00 0.00 72.50 70.38 1eia s THR 103 CO -0.04 -0.40 1.75 0.00 -0.54 0.00 0.00 174.62 175.40 1eia h ALA 104 N 0.88 0.96 -0.45 3.99 0.00 -1.92 -0.66 119.26 122.05 1eia h ALA 104 Ca -0.50 0.08 0.09 0.00 0.00 0.00 0.00 54.91 54.59 1eia h ALA 104 Cb 1.23 0.03 -0.10 0.00 0.00 0.00 0.00 17.79 18.95 1eia h ALA 104 CO 0.60 -0.14 -0.27 -0.09 0.00 0.00 0.00 179.25 179.35 1eia h ARG 105 N 0.50 -0.17 0.00 0.00 2.43 -1.94 -1.02 114.38 114.19 1eia h ARG 105 Ca 0.36 0.01 -0.11 0.00 -0.81 0.00 0.00 59.98 59.43 1eia h ARG 105 Cb 0.46 0.04 -0.02 0.00 -0.42 0.00 0.00 29.97 30.03 1eia h ARG 105 CO -0.32 -0.11 -0.53 0.74 -1.51 0.00 0.00 179.97 178.24 1eia h PHE 106 N -0.18 0.00 0.00 2.20 0.04 -1.66 -2.52 116.94 114.83 1eia h PHE 106 Ca 0.20 0.00 -0.02 0.00 2.80 0.00 0.00 57.97 60.95 1eia h PHE 106 Cb 0.50 0.00 -0.00 0.00 2.20 0.00 0.00 35.95 38.65 1eia h PHE 106 CO -0.51 0.53 -0.11 0.82 -0.60 0.00 0.00 178.31 178.43 1eia h ILE 107 N 0.00 0.97 -0.18 -0.55 2.04 0.08 0.54 117.51 120.40 1eia h ILE 107 Ca -0.01 -0.38 0.00 0.00 1.00 0.00 0.00 64.86 65.47 1eia h ILE 107 Cb 1.09 1.21 0.00 0.00 -0.74 0.00 0.00 36.82 38.39 1eia h ILE 107 CO 0.07 0.11 0.00 0.54 0.00 0.00 0.00 178.15 178.86 1eia n ARG 108 N -4.25 1.78 -3.45 2.37 1.74 -0.56 -4.53 116.66 109.76 1eia n ARG 108 Ca -0.03 -1.16 -0.19 0.00 -0.77 0.00 0.00 57.85 55.70 1eia n ARG 108 Cb 0.19 -1.40 0.08 0.00 -1.02 0.00 0.00 32.46 30.30 1eia n ARG 108 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1eia n GLY 109 N 1.15 -0.39 0.00 -0.13 0.00 0.19 -4.54 105.19 101.46 1eia n GLY 109 Ca 0.16 0.14 0.00 0.00 0.00 0.00 0.00 46.02 46.32 1eia n GLY 109 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1eia n LEU 110 N -4.37 1.02 -1.06 0.99 4.77 -1.02 -3.82 117.00 113.52 1eia n LEU 110 Ca -0.14 0.02 0.00 0.00 -0.03 0.00 0.00 56.01 55.87 1eia n LEU 110 Cb 0.61 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.70 1eia n LEU 110 CO 0.60 0.00 0.28 0.61 -1.33 0.00 0.00 177.39 177.55 1eia n GLY 111 N 2.46 1.09 3.14 -0.72 0.00 -1.20 -4.58 105.19 105.38 1eia n GLY 111 Ca 0.00 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.65 1eia n GLY 111 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1eia s VAL 112 N 0.51 3.46 0.41 1.61 1.01 -1.25 0.10 120.40 126.26 1eia s VAL 112 Ca 0.00 -1.95 -0.27 0.00 0.00 0.00 0.00 61.98 59.76 1eia s VAL 112 Cb 0.00 -3.33 -0.10 0.00 0.00 0.00 0.00 36.38 32.95 1eia s VAL 112 CO 0.00 -0.67 1.42 -0.81 0.00 0.00 0.00 175.10 175.05 1eia n PRO 113 N 4.66 2.37 -0.36 2.72 -0.04 -1.26 -4.79 135.00 138.30 1eia n PRO 113 Ca -0.04 0.84 0.06 0.00 -0.04 0.00 0.00 63.50 64.32 1eia n PRO 113 Cb 0.41 -2.59 0.14 0.00 -0.04 0.00 0.00 33.50 31.43 1eia n PRO 113 CO 0.00 0.00 0.00 -2.13 -0.04 0.00 0.00 175.50 173.33 1eia n ARG 114 N 0.15 -0.09 0.01 0.54 0.63 -1.26 -1.55 116.66 115.09 1eia n ARG 114 Ca 0.04 1.54 -0.13 0.00 -0.92 0.00 0.00 57.85 58.38 1eia n ARG 114 Cb 0.40 -2.31 -0.06 0.00 0.45 0.00 0.00 32.46 30.93 1eia n ARG 114 CO 0.00 0.00 0.00 0.93 -2.51 0.00 0.00 177.63 176.05 1eia h GLU 115 N 0.00 -0.49 0.00 -0.14 3.07 -2.01 -0.97 114.58 114.04 1eia h GLU 115 Ca 0.48 0.03 0.00 0.00 -0.50 0.00 0.00 59.36 59.37 1eia h GLU 115 Cb 0.74 0.11 0.00 0.00 -0.84 0.00 0.00 28.75 28.77 1eia h GLU 115 CO -1.02 -0.33 0.00 0.54 -1.40 0.00 0.00 179.01 176.80 1eia n ARG 116 N -5.44 0.15 0.03 2.33 1.74 -0.60 -0.84 116.66 114.03 1eia n ARG 116 Ca -0.05 0.52 0.13 0.00 -0.77 0.00 0.00 57.85 57.68 1eia n ARG 116 Cb 0.36 -1.87 0.49 0.00 -1.02 0.00 0.00 32.46 30.43 1eia n ARG 116 CO 0.00 0.00 0.00 1.04 -1.52 0.00 0.00 177.63 177.15 1eia n GLN 117 N -2.16 0.08 0.04 5.56 6.02 -0.38 -3.33 117.38 123.21 1eia n GLN 117 Ca 0.00 0.06 0.02 0.00 -0.01 0.00 0.00 57.00 57.07 1eia n GLN 117 Cb 0.12 -1.58 -0.07 0.00 1.02 0.00 0.00 30.24 29.73 1eia n GLN 117 CO 0.00 0.00 0.00 -1.33 -1.01 0.00 0.00 177.06 174.72 1eia n MET 118 N -1.72 0.62 -1.57 -1.09 2.81 -0.02 -4.78 117.12 111.36 1eia n MET 118 Ca 0.06 0.18 -0.33 0.00 -1.81 0.00 0.00 57.70 55.81 1eia n MET 118 Cb 0.37 -1.79 0.07 0.00 -0.71 0.00 0.00 33.22 31.15 1eia n MET 118 CO 0.00 0.00 0.00 -1.83 1.51 0.00 0.00 175.97 175.65 1eia s GLU 119 N -3.01 2.50 0.53 0.03 -1.05 -1.19 -4.92 118.70 111.59 1eia s GLU 119 Ca -0.03 1.45 0.19 0.00 -0.15 0.00 0.00 54.97 56.44 1eia s GLU 119 Cb 0.09 -1.91 1.38 0.00 -0.44 0.00 0.00 34.13 33.25 1eia s GLU 119 CO 0.81 -1.49 2.15 -1.00 0.95 0.00 0.00 175.26 176.68 1eia h PRO 120 N -0.27 0.00 0.00 -4.83 0.13 -1.92 -2.32 132.00 122.79 1eia h PRO 120 Ca -0.46 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.67 1eia h PRO 120 Cb 1.26 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.39 1eia h PRO 120 CO 0.52 0.00 0.00 0.00 -0.23 0.00 0.00 178.00 178.29 1eia n ALA 121 N -2.51 1.39 0.07 -0.56 0.00 -1.26 -1.45 120.51 116.20 1eia n ALA 121 Ca -0.02 0.14 0.11 0.00 0.00 0.00 0.00 53.44 53.67 1eia n ALA 121 Cb 0.13 -1.37 -0.05 0.00 0.00 0.00 0.00 19.45 18.16 1eia n ALA 121 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 1eia n PHE 122 N -2.29 0.72 -0.26 0.00 7.35 -0.87 -4.51 117.46 117.59 1eia n PHE 122 Ca 0.00 0.21 -0.05 0.00 -0.76 0.00 0.00 57.45 56.85 1eia n PHE 122 Cb 0.15 -0.85 -0.04 0.00 0.35 0.00 0.00 39.48 39.09 1eia n PHE 122 CO 0.00 0.00 0.00 -0.25 -0.76 0.00 0.00 176.76 175.75 1eia n ASP 123 N -2.58 -0.61 -0.09 -2.13 10.43 -0.53 0.78 116.55 121.83 1eia n ASP 123 Ca -0.01 1.14 -0.06 0.00 2.57 0.00 0.00 54.79 58.42 1eia n ASP 123 Cb 0.57 -0.18 -0.00 0.00 1.84 0.00 0.00 41.12 43.35 1eia n ASP 123 CO 0.00 0.00 0.00 1.56 -1.07 0.00 0.00 177.20 177.69 1eia h GLN 124 N 0.00 -0.01 -0.19 -1.24 4.20 -1.79 -1.78 115.11 114.30 1eia h GLN 124 Ca 0.14 0.00 0.03 0.00 0.06 0.00 0.00 58.65 58.88 1eia h GLN 124 Cb 0.30 0.00 -0.07 0.00 0.30 0.00 0.00 27.48 28.01 1eia h GLN 124 CO -0.61 -0.01 -0.54 0.74 -0.67 0.00 0.00 178.83 177.73 1eia h PHE 125 N -0.01 -1.63 0.00 2.96 -1.00 0.09 -0.16 116.94 117.19 1eia h PHE 125 Ca 0.15 0.07 -0.04 0.00 2.81 0.00 0.00 57.97 60.95 1eia h PHE 125 Cb 0.25 0.74 -0.01 0.00 3.61 0.00 0.00 35.95 40.54 1eia h PHE 125 CO -0.31 -0.53 -0.21 0.07 -1.61 0.00 0.00 178.31 175.72 1eia h ARG 126 N -0.54 0.00 -0.18 1.51 0.11 -1.24 -1.71 114.38 112.34 1eia h ARG 126 Ca 0.04 0.00 -0.21 0.00 0.10 0.00 0.00 59.98 59.91 1eia h ARG 126 Cb 0.66 0.00 0.01 0.00 1.11 0.00 0.00 29.97 31.75 1eia h ARG 126 CO -0.47 0.21 -0.72 1.96 0.10 0.00 0.00 179.97 181.05 1eia h GLN 127 N 0.00 0.79 0.11 0.08 4.20 -0.61 -1.18 115.11 118.50 1eia h GLN 127 Ca -0.00 -0.61 -0.01 0.00 0.06 0.00 0.00 58.65 58.09 1eia h GLN 127 Cb 0.40 0.12 0.00 0.00 0.30 0.00 0.00 27.48 28.29 1eia h GLN 127 CO 0.03 1.22 -0.05 1.15 -0.67 0.00 0.00 178.83 180.51 1eia h THR 128 N 0.55 1.01 -0.94 -0.54 2.02 -0.85 -2.57 112.91 111.58 1eia h THR 128 Ca -0.04 -0.47 0.12 0.00 0.77 0.00 0.00 66.41 66.80 1eia h THR 128 Cb 1.35 1.31 -0.08 0.00 -1.74 0.00 0.00 68.15 68.98 1eia h THR 128 CO 0.15 0.11 0.57 0.22 0.37 0.00 0.00 175.52 176.95 1eia h TYR 129 N -0.36 1.04 -0.92 3.16 3.20 -1.31 0.32 116.97 122.10 1eia h TYR 129 Ca -0.02 0.03 0.08 0.00 3.14 0.00 0.00 58.73 61.97 1eia h TYR 129 Cb 0.30 -0.32 -0.07 0.00 1.54 0.00 0.00 36.73 38.18 1eia h TYR 129 CO -0.00 0.40 0.57 -0.09 -1.64 0.00 0.00 178.16 177.40 1eia h ARG 130 N 0.91 0.96 -0.09 1.82 2.43 -1.02 -0.30 114.38 119.09 1eia h ARG 130 Ca 0.47 -0.06 -0.02 0.00 -0.81 0.00 0.00 59.98 59.57 1eia h ARG 130 Cb 0.48 -0.22 -0.00 0.00 -0.42 0.00 0.00 29.97 29.81 1eia h ARG 130 CO -0.27 0.63 -0.01 1.96 -1.51 0.00 0.00 179.97 180.77 1eia h GLN 131 N 0.99 0.16 -0.69 0.20 1.08 -0.11 -2.15 115.11 114.59 1eia h GLN 131 Ca 0.42 -0.05 0.15 0.00 -1.45 0.00 0.00 58.65 57.72 1eia h GLN 131 Cb 0.29 -0.01 -0.12 0.00 -0.05 0.00 0.00 27.48 27.59 1eia h GLN 131 CO -0.21 0.45 0.01 -1.49 -0.95 0.00 0.00 178.83 176.64 1eia h TRP 132 N -0.15 -0.03 -0.55 2.96 4.06 0.31 0.43 115.95 123.00 1eia h TRP 132 Ca 0.02 0.05 -0.06 0.00 2.06 0.00 0.00 58.89 60.96 1eia h TRP 132 Cb 0.38 0.12 -0.02 0.00 -1.00 0.00 0.00 29.16 28.64 1eia h TRP 132 CO 0.04 -0.19 0.10 0.82 -3.56 0.00 0.00 178.44 175.64 1eia h ILE 133 N 0.12 1.25 -0.09 1.49 2.04 -0.97 0.26 117.51 121.61 1eia h ILE 133 Ca 0.37 -0.95 0.01 0.00 1.00 0.00 0.00 64.86 65.29 1eia h ILE 133 Cb 0.62 0.81 -0.01 0.00 -0.74 0.00 0.00 36.82 37.51 1eia h ILE 133 CO -0.59 0.34 0.04 0.40 0.00 0.00 0.00 178.15 178.34 1eia h ILE 134 N 0.79 0.99 -0.41 -0.67 2.04 -0.51 0.52 117.51 120.26 1eia h ILE 134 Ca 0.17 -0.03 0.00 0.00 1.00 0.00 0.00 64.86 66.00 1eia h ILE 134 Cb 0.40 0.90 -0.02 0.00 -0.74 0.00 0.00 36.82 37.36 1eia h ILE 134 CO 0.01 0.02 0.26 -0.33 0.00 0.00 0.00 178.15 178.11 1eia h GLU 135 N 0.09 0.55 0.25 2.37 5.08 0.01 0.17 114.58 123.09 1eia h GLU 135 Ca 0.04 -0.04 0.01 0.00 -1.00 0.00 0.00 59.36 58.36 1eia h GLU 135 Cb 0.01 -0.12 -0.03 0.00 0.50 0.00 0.00 28.75 29.11 1eia h GLU 135 CO -0.03 0.39 -0.32 0.00 -1.00 0.00 0.00 179.01 178.05 1eia h ALA 136 N 1.13 -0.63 -0.74 3.43 0.00 -0.06 0.39 119.26 122.78 1eia h ALA 136 Ca 0.15 -0.09 0.11 0.00 0.00 0.00 0.00 54.91 55.09 1eia h ALA 136 Cb -0.04 0.48 -0.05 0.00 0.00 0.00 0.00 17.79 18.18 1eia h ALA 136 CO -0.03 -0.90 0.49 0.52 0.00 0.00 0.00 179.25 179.33 1eia h MET 137 N -0.62 0.55 0.01 0.00 2.86 0.40 0.36 114.93 118.50 1eia h MET 137 Ca 0.00 -0.03 -0.00 0.00 -2.06 0.00 0.00 59.70 57.61 1eia h MET 137 Cb 0.59 -0.12 0.00 0.00 0.06 0.00 0.00 31.60 32.13 1eia h MET 137 CO -0.11 0.36 -0.01 1.03 1.06 0.00 0.00 176.91 179.25 1eia h SER 138 N 0.56 -0.02 -0.68 1.22 0.87 0.30 0.70 113.55 116.52 1eia h SER 138 Ca 0.35 -0.22 0.00 0.00 -1.23 0.00 0.00 61.79 60.70 1eia h SER 138 Cb 0.59 0.00 -0.03 0.00 -0.44 0.00 0.00 62.40 62.53 1eia h SER 138 CO -0.12 0.21 0.44 -0.33 -0.53 0.00 0.00 176.83 176.50 1eia h GLU 139 N -0.24 0.90 0.25 2.24 4.39 -0.11 -1.05 114.58 120.96 1eia h GLU 139 Ca -0.00 -0.06 -0.01 0.00 0.34 0.00 0.00 59.36 59.63 1eia h GLU 139 Cb 0.23 -0.20 0.00 0.00 -0.10 0.00 0.00 28.75 28.69 1eia h GLU 139 CO 0.00 0.60 -0.12 0.78 -1.16 0.00 0.00 179.01 179.11 1eia h GLY 140 N 0.93 -0.35 0.12 -3.84 0.00 -0.72 -2.87 103.07 96.33 1eia h GLY 140 Ca 0.25 0.13 0.18 0.00 0.00 0.00 0.00 47.33 47.89 1eia h GLY 140 CO -0.05 -0.13 0.52 -2.22 0.00 0.00 0.00 176.54 174.66 1eia h ILE 141 N -0.59 0.68 0.00 2.60 2.04 -0.43 0.24 117.51 122.05 1eia h ILE 141 Ca -0.03 -0.23 -0.02 0.00 1.00 0.00 0.00 64.86 65.57 1eia h ILE 141 Cb 0.43 -0.04 -0.00 0.00 -0.74 0.00 0.00 36.82 36.46 1eia h ILE 141 CO 0.06 0.12 -0.11 0.11 0.00 0.00 0.00 178.15 178.33 1eia h LYS 142 N 0.67 0.00 -0.33 2.37 1.57 -1.08 0.19 116.57 119.95 1eia h LYS 142 Ca 0.54 0.00 -0.07 0.00 -1.87 0.00 0.00 60.65 59.24 1eia h LYS 142 Cb 0.83 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.13 1eia h LYS 142 CO -0.39 0.11 -0.09 0.28 -0.57 0.00 0.00 179.45 178.79 1eia h VAL 143 N 0.00 1.28 -0.43 0.50 2.07 -0.32 -3.14 116.25 116.21 1eia h VAL 143 Ca -0.00 -1.14 -0.08 0.00 0.82 0.00 0.00 66.70 66.30 1eia h VAL 143 Cb 0.20 1.35 -0.01 0.00 -1.52 0.00 0.00 31.29 31.30 1eia h VAL 143 CO 0.01 0.37 -0.05 0.24 0.02 0.00 0.00 177.57 178.17 1eia h MET 144 N 0.41 0.80 -1.18 1.57 2.86 -0.87 -2.95 114.93 115.57 1eia h MET 144 Ca 0.08 -0.28 0.35 0.00 -2.06 0.00 0.00 59.70 57.79 1eia h MET 144 Cb 0.58 -0.06 -0.11 0.00 0.06 0.00 0.00 31.60 32.08 1eia h MET 144 CO 0.03 0.89 0.77 0.82 1.06 0.00 0.00 176.91 180.48 1eia h ILE 145 N 0.63 0.34 -0.02 -1.22 2.04 -0.94 1.96 117.51 120.29 1eia h ILE 145 Ca 0.12 -0.08 0.00 0.00 1.00 0.00 0.00 64.86 65.90 1eia h ILE 145 Cb 0.56 0.09 0.00 0.00 -0.74 0.00 0.00 36.82 36.73 1eia h ILE 145 CO 0.03 0.04 0.00 0.61 0.00 0.00 0.00 178.15 178.83 1eia n GLY 146 N -1.52 -0.55 2.68 5.37 0.00 -1.11 -4.02 105.19 106.04 1eia n GLY 146 Ca 0.31 -0.29 -0.32 0.00 0.00 0.00 0.00 46.02 45.72 1eia n GLY 146 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1eia n LYS 147 N -0.46 3.43 -1.93 1.61 4.76 0.66 -5.06 118.16 121.16 1eia n LYS 147 Ca 0.20 -4.69 -0.43 0.00 -2.87 0.00 0.00 58.31 50.53 1eia n LYS 147 Cb 0.20 -2.34 -0.03 0.00 -1.84 0.00 0.00 35.03 31.03 1eia n LYS 147 CO 0.00 0.00 0.00 -2.14 -1.37 0.00 0.00 177.40 173.89 1eia s PRO 148 N -2.94 3.61 0.00 1.97 0.02 -1.26 -4.96 135.00 131.45 1eia s PRO 148 Ca 0.39 1.81 0.00 0.00 0.02 0.00 0.00 61.00 63.22 1eia s PRO 148 Cb 0.15 -4.15 0.00 0.00 0.02 0.00 0.00 34.50 30.52 1eia s PRO 148 CO -0.02 -1.53 0.00 1.63 -0.33 0.00 0.00 177.00 176.75 1eia n LYS 149 N 8.02 1.61 -0.30 5.54 5.02 -1.26 -4.93 118.16 131.87 1eia n LYS 149 Ca 0.22 0.00 0.13 0.00 -2.02 0.00 0.00 58.31 56.63 1eia n LYS 149 Cb 0.45 0.00 0.28 0.00 -0.02 0.00 0.00 35.03 35.74 1eia n LYS 149 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1eia h ALA 150 N 0.53 1.27 -0.61 7.82 0.00 -1.92 0.59 119.26 126.93 1eia h ALA 150 Ca 0.00 0.22 0.06 0.00 0.00 0.00 0.00 54.91 55.19 1eia h ALA 150 Cb 0.00 0.30 -0.04 0.00 0.00 0.00 0.00 17.79 18.05 1eia h ALA 150 CO 0.00 -0.45 0.41 1.96 0.00 0.00 0.00 179.25 181.17 1eia h GLN 151 N 0.23 0.59 -0.63 0.00 7.50 -1.98 -1.88 115.11 118.93 1eia h GLN 151 Ca 0.54 -0.04 0.00 0.00 0.50 0.00 0.00 58.65 59.66 1eia h GLN 151 Cb 1.08 -0.13 0.00 0.00 0.05 0.00 0.00 27.48 28.48 1eia h GLN 151 CO -0.64 0.39 0.00 0.09 -1.50 0.00 0.00 178.83 177.17 1eia n ASN 152 N -4.48 1.45 -4.25 1.46 4.13 0.20 -4.71 115.26 109.07 1eia n ASN 152 Ca 0.09 -2.11 -0.38 0.00 1.68 0.00 0.00 54.58 53.86 1eia n ASN 152 Cb 0.23 -0.37 -0.12 0.00 -1.54 0.00 0.00 39.78 37.98 1eia n ASN 152 CO 0.00 0.00 0.00 -0.63 0.28 0.00 0.00 177.26 176.91 1eia s ILE 153 N -1.51 3.71 0.07 2.41 1.01 -0.71 -4.89 121.20 121.29 1eia s ILE 153 Ca 0.10 -1.30 0.09 0.00 0.00 0.00 0.00 60.65 59.53 1eia s ILE 153 Cb 0.07 -3.18 -0.03 0.00 0.01 0.00 0.00 42.46 39.32 1eia s ILE 153 CO 0.04 -0.28 -0.22 -0.60 0.00 0.00 0.00 174.94 173.89 1eia s ARG 154 N 1.36 1.86 0.09 2.79 3.52 -1.26 -4.79 118.95 122.52 1eia s ARG 154 Ca -0.00 -1.10 -0.30 0.00 -0.13 0.00 0.00 55.73 54.20 1eia s ARG 154 Cb -0.20 -2.08 -0.06 0.00 -1.56 0.00 0.00 34.95 31.05 1eia s ARG 154 CO 0.02 0.51 1.12 -1.14 -0.81 0.00 0.00 175.30 175.00 1eia s GLN 155 N -1.57 4.51 0.83 5.12 0.74 -0.02 -5.02 119.66 124.26 1eia s GLN 155 Ca 0.14 1.69 -0.11 0.00 0.05 0.00 0.00 55.36 57.13 1eia s GLN 155 Cb -0.10 -3.34 0.10 0.00 1.10 0.00 0.00 33.01 30.76 1eia s GLN 155 CO 0.05 -0.10 1.14 0.20 -0.55 0.00 0.00 175.29 176.03 1eia s GLY 156 N 0.63 1.80 0.35 2.59 0.00 -1.26 -4.20 107.32 107.22 1eia s GLY 156 Ca 0.54 0.53 0.07 0.00 0.00 0.00 0.00 44.72 45.86 1eia s GLY 156 CO 0.31 0.92 1.86 0.00 0.00 0.00 0.00 173.10 176.19 1eia h ALA 157 N -1.34 1.39 -0.27 3.20 0.00 -2.01 -2.35 119.26 117.88 1eia h ALA 157 Ca -0.44 -0.24 -0.10 0.00 0.00 0.00 0.00 54.91 54.13 1eia h ALA 157 Cb 1.26 -0.11 -0.06 0.00 0.00 0.00 0.00 17.79 18.88 1eia h ALA 157 CO 0.46 0.42 -0.08 1.63 0.00 0.00 0.00 179.25 181.69 1eia n LYS 158 N -4.23 2.06 -3.67 0.00 4.76 -1.26 -4.89 118.16 110.93 1eia n LYS 158 Ca -0.00 -3.04 -0.36 0.00 -2.87 0.00 0.00 58.31 52.04 1eia n LYS 158 Cb 0.30 -1.78 -0.08 0.00 -1.84 0.00 0.00 35.03 31.63 1eia n LYS 158 CO 0.00 0.00 0.00 -2.00 -1.37 0.00 0.00 177.40 174.03 1eia s GLU 159 N -3.10 4.18 -0.10 1.97 2.12 -0.89 -4.67 118.70 118.21 1eia s GLU 159 Ca 0.42 -0.16 -0.29 0.00 0.36 0.00 0.00 54.97 55.30 1eia s GLU 159 Cb 0.37 -3.45 -0.06 0.00 0.26 0.00 0.00 34.13 31.26 1eia s GLU 159 CO 0.02 0.24 2.02 -2.14 -0.54 0.00 0.00 175.26 174.86 1eia s PRO 160 N 0.53 3.68 0.21 4.30 0.02 -1.26 -4.29 135.00 138.19 1eia s PRO 160 Ca 0.10 2.25 -0.00 0.00 0.02 0.00 0.00 61.00 63.36 1eia s PRO 160 Cb -0.12 -4.23 0.47 0.00 0.02 0.00 0.00 34.50 30.64 1eia s PRO 160 CO 0.00 -1.47 1.07 0.98 -0.33 0.00 0.00 177.00 177.25 1eia n TYR 161 N 9.37 0.39 -0.34 6.54 9.36 -1.26 0.43 117.16 141.64 1eia n TYR 161 Ca 0.24 0.83 -0.00 0.00 3.32 0.00 0.00 57.90 62.29 1eia n TYR 161 Cb 0.43 -0.98 0.16 0.00 -0.63 0.00 0.00 39.34 38.31 1eia n TYR 161 CO 0.00 0.00 0.00 -1.35 0.22 0.00 0.00 176.86 175.73 1eia h PRO 162 N 0.00 1.21 -0.33 2.98 0.11 -1.90 0.17 132.00 134.24 1eia h PRO 162 Ca 0.39 -0.07 -0.01 0.00 0.11 0.00 0.00 66.00 66.42 1eia h PRO 162 Cb 0.77 -0.27 -0.02 0.00 0.11 0.00 0.00 31.00 31.59 1eia h PRO 162 CO -0.66 0.80 0.16 0.93 -0.21 0.00 0.00 178.00 179.02 1eia h GLU 163 N 1.25 0.47 -0.30 1.05 5.08 -0.40 -1.83 114.58 119.90 1eia h GLU 163 Ca 0.37 -0.07 0.02 0.00 -1.00 0.00 0.00 59.36 58.68 1eia h GLU 163 Cb -0.06 -0.09 -0.02 0.00 0.50 0.00 0.00 28.75 29.08 1eia h GLU 163 CO -0.10 0.43 0.16 0.35 -1.00 0.00 0.00 179.01 178.85 1eia h PHE 164 N 0.40 0.29 -0.98 4.33 3.57 -1.16 -2.22 116.94 121.17 1eia h PHE 164 Ca 0.11 0.01 0.16 0.00 3.53 0.00 0.00 57.97 61.78 1eia h PHE 164 Cb 0.11 -0.09 -0.09 0.00 2.79 0.00 0.00 35.95 38.68 1eia h PHE 164 CO -0.02 0.16 0.61 0.28 -2.23 0.00 0.00 178.31 177.12 1eia h VAL 165 N 0.32 0.80 0.35 1.41 2.07 -0.30 -0.90 116.25 120.00 1eia h VAL 165 Ca 0.12 -0.28 -0.02 0.00 0.82 0.00 0.00 66.70 67.35 1eia h VAL 165 Cb 0.03 -0.07 0.00 0.00 -1.52 0.00 0.00 31.29 29.73 1eia h VAL 165 CO -0.08 0.15 -0.17 0.44 0.02 0.00 0.00 177.57 177.93 1eia h ASP 166 N 0.81 -0.40 -0.70 0.57 3.32 -0.77 -0.54 116.42 118.70 1eia h ASP 166 Ca 0.52 -0.16 0.15 0.00 0.02 0.00 0.00 57.03 57.56 1eia h ASP 166 Cb 0.74 0.10 -0.12 0.00 0.22 0.00 0.00 39.33 40.27 1eia h ASP 166 CO -0.29 -0.00 -0.04 0.03 -1.72 0.00 0.00 179.24 177.21 1eia h ARG 167 N -0.87 0.07 0.15 3.56 3.08 -0.94 0.63 114.38 120.07 1eia h ARG 167 Ca -0.05 -0.00 -0.01 0.00 0.07 0.00 0.00 59.98 59.99 1eia h ARG 167 Cb 0.53 -0.02 0.00 0.00 0.08 0.00 0.00 29.97 30.57 1eia h ARG 167 CO 0.08 0.05 -0.07 1.25 -1.07 0.00 0.00 179.97 180.21 1eia h LEU 168 N 0.08 -0.17 -1.23 3.04 5.85 -1.12 -0.08 115.31 121.68 1eia h LEU 168 Ca 0.37 -0.01 -0.03 0.00 0.84 0.00 0.00 57.88 59.04 1eia h LEU 168 Cb 0.61 0.04 -0.02 0.00 0.37 0.00 0.00 40.66 41.66 1eia h LEU 168 CO -0.64 -0.10 0.19 -0.07 -0.34 0.00 0.00 178.44 177.48 1eia h LEU 169 N -0.23 0.66 0.71 2.25 3.38 0.05 -0.14 115.31 121.99 1eia h LEU 169 Ca -0.02 -0.08 -0.03 0.00 0.09 0.00 0.00 57.88 57.83 1eia h LEU 169 Cb 0.18 -0.17 0.01 0.00 0.09 0.00 0.00 40.66 40.76 1eia h LEU 169 CO 0.03 0.61 -0.34 -1.28 0.09 0.00 0.00 178.44 177.55 1eia h SER 170 N 0.72 -0.80 0.19 -0.43 0.87 0.50 -0.72 113.55 113.88 1eia h SER 170 Ca 0.17 0.01 0.01 0.00 -1.23 0.00 0.00 61.79 60.74 1eia h SER 170 Cb 0.16 0.21 -0.04 0.00 -0.44 0.00 0.00 62.40 62.29 1eia h SER 170 CO -0.01 -0.52 -0.51 1.56 -0.53 0.00 0.00 176.83 176.82 1eia h GLN 171 N -1.04 -0.75 -0.83 2.24 1.08 -0.70 -0.01 115.11 115.10 1eia h GLN 171 Ca -0.10 0.05 0.21 0.00 -1.45 0.00 0.00 58.65 57.36 1eia h GLN 171 Cb 0.75 0.17 -0.14 0.00 -0.05 0.00 0.00 27.48 28.21 1eia h GLN 171 CO 0.16 -0.50 0.16 0.82 -0.95 0.00 0.00 178.83 178.52 1eia h ILE 172 N -0.78 0.34 0.03 2.54 2.04 -1.04 -2.33 117.51 118.32 1eia h ILE 172 Ca -0.02 -0.06 -0.00 0.00 1.00 0.00 0.00 64.86 65.78 1eia h ILE 172 Cb 0.76 0.14 0.00 0.00 -0.74 0.00 0.00 36.82 36.98 1eia h ILE 172 CO -0.24 0.03 -0.02 0.50 0.00 0.00 0.00 178.15 178.43 1eia h LYS 173 N 0.18 -0.04 -4.81 2.37 3.64 -0.33 -3.22 116.57 114.37 1eia h LYS 173 Ca 0.50 0.00 -0.54 0.00 -1.27 0.00 0.00 60.65 59.34 1eia h LYS 173 Cb 0.95 0.01 0.05 0.00 -0.41 0.00 0.00 32.23 32.83 1eia h LYS 173 CO -0.65 -0.03 1.76 -1.13 -2.27 0.00 0.00 179.45 177.14 1eia n SER 174 N -2.15 2.29 0.00 4.20 3.41 -0.09 0.00 113.62 121.28 1eia n SER 174 Ca -0.01 -2.64 0.00 0.00 -0.26 0.00 0.00 58.87 55.96 1eia n SER 174 Cb 0.02 -1.16 0.00 0.00 -0.26 0.00 0.00 64.21 62.81 1eia n SER 174 CO 0.00 0.00 0.00 1.21 -0.16 0.00 0.00 175.04 176.09 1eia n GLU 175 N 7.51 0.00 -3.10 4.33 2.13 -1.21 -4.80 120.64 125.50 1eia n GLU 175 Ca 0.48 0.00 0.00 0.00 0.66 0.00 0.00 57.16 58.30 1eia n GLU 175 Cb 0.42 0.00 0.00 0.00 0.27 0.00 0.00 31.44 32.13 1eia n GLU 175 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1eia n GLY 176 N 0.00 0.00 3.17 8.31 0.00 0.10 -5.02 105.19 111.75 1eia n GLY 176 Ca 0.00 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.77 1eia n GLY 176 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1eia s HIS 177 N -0.32 1.63 0.42 1.61 3.76 -1.26 -5.11 115.29 116.02 1eia s HIS 177 Ca 0.00 -0.34 -0.26 0.00 -0.15 0.00 0.00 55.06 54.31 1eia s HIS 177 Cb 0.00 -1.06 -0.09 0.00 1.11 0.00 0.00 32.58 32.55 1eia s HIS 177 CO 0.00 -0.05 1.38 -1.25 -0.85 0.00 0.00 174.74 173.97 1eia s PRO 178 N -0.33 3.86 0.65 8.40 0.04 -1.26 -4.53 135.00 141.83 1eia s PRO 178 Ca 0.05 2.33 -0.17 0.00 0.04 0.00 0.00 61.00 63.24 1eia s PRO 178 Cb -0.08 -2.74 -0.11 0.00 0.04 0.00 0.00 34.50 31.62 1eia s PRO 178 CO -0.00 -0.64 0.08 0.94 0.04 0.00 0.00 177.00 177.42 1eia n GLN 179 N 0.03 0.17 0.00 4.56 0.00 -1.26 -1.60 117.38 119.28 1eia n GLN 179 Ca 0.04 0.08 0.00 0.00 -0.00 0.00 0.00 57.00 57.11 1eia n GLN 179 Cb 0.42 -1.37 0.00 0.00 0.00 0.00 0.00 30.24 29.29 1eia n GLN 179 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.06 177.45 1eia n GLU 180 N 0.71 0.00 0.06 3.69 1.02 -1.26 -4.54 120.64 120.31 1eia n GLU 180 Ca 0.08 0.00 -0.11 0.00 -0.02 0.00 0.00 57.16 57.10 1eia n GLU 180 Cb 0.49 0.00 -0.13 0.00 -0.02 0.00 0.00 31.44 31.78 1eia n GLU 180 CO 0.00 0.00 0.00 0.97 1.18 0.00 0.00 177.13 179.28 1eia h ILE 181 N 0.00 1.42 -0.43 -3.67 2.10 -1.64 0.23 117.51 115.53 1eia h ILE 181 Ca 0.00 -3.11 -0.14 0.00 1.08 0.00 0.00 64.86 62.69 1eia h ILE 181 Cb 0.00 2.79 -0.01 0.00 -1.09 0.00 0.00 36.82 38.51 1eia h ILE 181 CO 0.00 0.86 -0.28 -1.28 -1.08 0.00 0.00 178.15 176.37 1eia h SER 182 N 0.03 0.98 0.57 2.19 0.87 -1.73 -1.04 113.55 115.43 1eia h SER 182 Ca -0.13 -0.43 -0.03 0.00 -1.23 0.00 0.00 61.79 59.98 1eia h SER 182 Cb 1.90 -0.27 0.01 0.00 -0.44 0.00 0.00 62.40 63.60 1eia h SER 182 CO 0.15 1.20 -0.28 0.50 -0.53 0.00 0.00 176.83 177.87 1eia h LYS 183 N 0.77 -0.74 -0.83 2.24 3.11 -1.82 -0.37 116.57 118.93 1eia h LYS 183 Ca 0.09 0.05 0.14 0.00 -2.81 0.00 0.00 60.65 58.12 1eia h LYS 183 Cb 0.86 0.17 -0.09 0.00 -1.00 0.00 0.00 32.23 32.16 1eia h LYS 183 CO 0.08 -0.45 0.42 0.35 -2.81 0.00 0.00 179.45 177.04 1eia h PHE 184 N -0.88 0.74 -0.57 1.91 3.57 -0.48 0.19 116.94 121.43 1eia h PHE 184 Ca -0.08 0.03 -0.09 0.00 3.53 0.00 0.00 57.97 61.36 1eia h PHE 184 Cb 0.63 -0.20 -0.02 0.00 2.79 0.00 0.00 35.95 39.15 1eia h PHE 184 CO -0.01 0.18 -0.01 -0.07 -2.23 0.00 0.00 178.31 176.16 1eia h LEU 185 N 0.61 1.00 -0.06 0.59 3.38 -0.92 -1.58 115.31 118.33 1eia h LEU 185 Ca 0.45 -0.31 -0.16 0.00 0.09 0.00 0.00 57.88 57.95 1eia h LEU 185 Cb 0.63 -0.27 0.01 0.00 0.09 0.00 0.00 40.66 41.12 1eia h LEU 185 CO -0.36 1.07 -0.61 0.71 0.09 0.00 0.00 178.44 179.34 1eia h THR 186 N 0.90 1.38 -0.17 0.22 1.35 -0.19 -0.81 112.91 115.58 1eia h THR 186 Ca 0.16 -1.97 0.03 0.00 -0.55 0.00 0.00 66.41 64.08 1eia h THR 186 Cb 0.56 2.36 -0.03 0.00 -1.73 0.00 0.00 68.15 69.31 1eia h THR 186 CO 0.03 0.59 -0.01 0.44 -0.25 0.00 0.00 175.52 176.32 1eia h ASP 187 N 0.08 -0.08 0.06 5.36 5.19 -0.65 -2.10 116.42 124.28 1eia h ASP 187 Ca -0.06 0.04 -0.19 0.00 -0.62 0.00 0.00 57.03 56.20 1eia h ASP 187 Cb 1.28 0.07 0.02 0.00 0.18 0.00 0.00 39.33 40.88 1eia h ASP 187 CO 0.12 -0.02 -0.79 0.71 -3.12 0.00 0.00 179.24 176.15 1eia h THR 188 N 0.05 1.42 0.00 0.35 1.35 -1.36 -3.34 112.91 111.38 1eia h THR 188 Ca 0.08 -2.28 -0.06 0.00 -0.55 0.00 0.00 66.41 63.61 1eia h THR 188 Cb 0.10 2.77 -0.01 0.00 -1.73 0.00 0.00 68.15 69.29 1eia h THR 188 CO -0.14 0.66 -0.26 -0.07 -0.25 0.00 0.00 175.52 175.46 1eia h LEU 189 N -0.09 0.00 -1.40 3.87 3.38 -1.19 -1.56 115.31 118.32 1eia h LEU 189 Ca -0.12 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.85 1eia h LEU 189 Cb 1.52 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.27 1eia h LEU 189 CO 0.15 0.26 0.00 0.71 0.09 0.00 0.00 178.44 179.66 1eia h THR 190 N 0.00 0.00 0.00 0.22 1.35 -1.49 -1.89 112.91 111.10 1eia h THR 190 Ca -0.00 -0.21 0.00 0.00 -0.55 0.00 0.00 66.41 65.65 1eia h THR 190 Cb 0.85 0.98 0.00 0.00 -1.73 0.00 0.00 68.15 68.25 1eia h THR 190 CO 0.03 0.00 0.00 -0.38 -0.25 0.00 0.00 175.52 174.92 1eia n ILE 191 N -2.57 0.00 -0.37 6.82 2.08 -0.97 -4.38 119.36 119.97 1eia n ILE 191 Ca 0.00 0.27 0.29 0.00 0.56 0.00 0.00 62.75 63.87 1eia n ILE 191 Cb 0.18 -1.25 0.55 0.00 -0.75 0.00 0.00 39.64 38.37 1eia n ILE 191 CO 0.00 0.00 0.00 1.56 0.56 0.00 0.00 176.55 178.67 1eia h GLN 192 N 0.00 0.23 -0.32 0.38 4.20 -1.38 0.18 115.11 118.39 1eia h GLN 192 Ca 0.00 -0.01 0.00 0.00 0.06 0.00 0.00 58.65 58.70 1eia h GLN 192 Cb 0.00 -0.05 0.00 0.00 0.30 0.00 0.00 27.48 27.73 1eia h GLN 192 CO 0.00 0.15 0.00 0.09 -0.67 0.00 0.00 178.83 178.40 1eia n ASN 193 N -4.85 2.64 -4.78 1.46 4.13 -0.71 -4.90 115.26 108.25 1eia n ASN 193 Ca 0.33 -1.89 -0.33 0.00 1.68 0.00 0.00 54.58 54.37 1eia n ASN 193 Cb 1.14 -0.21 0.05 0.00 -1.54 0.00 0.00 39.78 39.22 1eia n ASN 193 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1eia s ALA 194 N -1.58 2.49 1.38 5.41 0.00 0.63 -0.84 121.76 129.25 1eia s ALA 194 Ca 0.35 0.50 -0.23 0.00 0.00 0.00 0.00 51.96 52.58 1eia s ALA 194 Cb 0.20 -3.30 0.35 0.00 0.00 0.00 0.00 23.12 20.36 1eia s ALA 194 CO 0.28 -1.25 0.97 0.27 0.00 0.00 0.00 175.76 176.03 1eia n ASN 195 N -2.46 -3.22 0.38 0.00 2.04 -1.26 -4.65 115.26 106.08 1eia n ASN 195 Ca 0.10 -1.01 -0.18 0.00 -0.44 0.00 0.00 54.58 53.05 1eia n ASN 195 Cb 0.52 -1.00 -0.09 0.00 -2.53 0.00 0.00 39.78 36.68 1eia n ASN 195 CO 0.00 0.00 0.00 -0.33 -0.44 0.00 0.00 177.26 176.49 1eia h GLU 196 N 0.00 -1.05 -0.69 -3.83 3.07 -1.93 -1.69 114.58 108.46 1eia h GLU 196 Ca -0.40 0.07 0.08 0.00 -0.50 0.00 0.00 59.36 58.61 1eia h GLU 196 Cb 1.29 0.24 -0.06 0.00 -0.84 0.00 0.00 28.75 29.38 1eia h GLU 196 CO 0.25 -0.70 0.35 1.49 -1.40 0.00 0.00 179.01 179.00 1eia h GLU 197 N -1.09 0.61 -0.48 2.33 4.81 -1.95 -2.60 114.58 116.21 1eia h GLU 197 Ca -0.09 -0.04 -0.13 0.00 -0.13 0.00 0.00 59.36 58.97 1eia h GLU 197 Cb 0.89 -0.14 -0.01 0.00 0.63 0.00 0.00 28.75 30.12 1eia h GLU 197 CO 0.06 0.40 -0.22 0.00 -0.73 0.00 0.00 179.01 178.52 1eia h ARG 199 N 0.85 0.79 0.00 0.00 3.08 -0.90 -2.12 114.38 116.08 1eia h ARG 199 Ca 0.11 -0.05 -0.16 0.00 0.07 0.00 0.00 59.98 59.95 1eia h ARG 199 Cb 0.80 -0.18 -0.02 0.00 0.08 0.00 0.00 29.97 30.64 1eia h ARG 199 CO 0.07 0.52 -0.93 -2.95 -1.07 0.00 0.00 179.97 175.61 1eia h ASN 200 N 0.81 0.00 0.77 7.04 -1.07 -1.58 -2.85 115.58 118.70 1eia h ASN 200 Ca 0.22 0.00 0.00 0.00 0.07 0.00 0.00 56.30 56.59 1eia h ASN 200 Cb -0.08 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 36.17 1eia h ASN 200 CO -0.05 0.69 0.00 0.00 0.07 0.00 0.00 177.43 178.14 1eia h ALA 201 N 1.31 1.00 -0.48 4.14 0.00 -1.37 -1.19 119.26 122.67 1eia h ALA 201 Ca -0.06 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.85 1eia h ALA 201 Cb 1.58 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.37 1eia h ALA 201 CO 0.08 0.00 0.00 -1.33 0.00 0.00 0.00 179.25 178.00 1eia n MET 202 N -2.52 2.57 0.08 0.00 2.81 -0.83 -4.61 117.12 114.62 1eia n MET 202 Ca 0.01 -2.28 0.04 0.00 -1.81 0.00 0.00 57.70 53.66 1eia n MET 202 Cb 0.24 -1.44 0.22 0.00 -0.71 0.00 0.00 33.22 31.53 1eia n MET 202 CO 0.00 0.00 0.00 -2.13 1.51 0.00 0.00 175.97 175.35 1eia n ARG 203 N 1.19 0.05 0.02 0.03 0.63 -0.45 0.11 116.66 118.25 1eia n ARG 203 Ca 0.18 0.47 0.11 0.00 -0.92 0.00 0.00 57.85 57.69 1eia n ARG 203 Cb 0.53 -1.86 -0.02 0.00 0.45 0.00 0.00 32.46 31.56 1eia n ARG 203 CO 0.00 0.00 0.00 -2.39 -2.51 0.00 0.00 177.63 172.73 1eia n HIS 204 N -1.74 0.25 -3.46 -0.14 1.44 -1.26 -4.95 115.22 105.35 1eia n HIS 204 Ca -0.01 0.07 -0.32 0.00 -2.01 0.00 0.00 57.72 55.46 1eia n HIS 204 Cb 0.20 -0.44 -0.05 0.00 0.12 0.00 0.00 29.99 29.81 1eia n HIS 204 CO 0.00 0.00 0.00 -0.51 -2.81 0.00 0.00 176.34 173.02 1eia s LEU 205 N -4.03 4.19 0.33 2.39 1.43 0.31 -5.11 118.68 118.18 1eia s LEU 205 Ca 0.02 0.86 0.09 0.00 -1.03 0.00 0.00 54.13 54.07 1eia s LEU 205 Cb 0.14 -3.60 -0.04 0.00 0.03 0.00 0.00 46.19 42.71 1eia s LEU 205 CO 0.82 -0.05 0.10 -0.13 0.23 0.00 0.00 176.35 177.33 1eia s ARG 206 N -2.76 2.31 0.39 1.70 0.52 -1.26 -5.02 118.95 114.82 1eia s ARG 206 Ca 0.46 -1.57 0.08 0.00 -0.52 0.00 0.00 55.73 54.18 1eia s ARG 206 Cb -0.11 -2.13 0.84 0.00 0.52 0.00 0.00 34.95 34.07 1eia s ARG 206 CO 0.22 0.15 1.99 -1.35 0.02 0.00 0.00 175.30 176.33 1eia h PRO 207 N 1.64 0.60 0.00 3.54 0.11 -1.94 -1.70 132.00 134.25 1eia h PRO 207 Ca -0.44 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.64 1eia h PRO 207 Cb 1.25 -0.14 0.00 0.00 0.11 0.00 0.00 31.00 32.23 1eia h PRO 207 CO 0.64 0.40 0.00 0.39 -0.21 0.00 0.00 178.00 179.21 1eia n GLU 208 N -4.47 0.17 -2.53 1.05 4.71 -1.26 -4.52 120.64 113.79 1eia n GLU 208 Ca 0.08 0.45 -0.36 0.00 -0.01 0.00 0.00 57.16 57.32 1eia n GLU 208 Cb 0.21 -1.86 -0.04 0.00 -1.01 0.00 0.00 31.44 28.74 1eia n GLU 208 CO 0.00 0.00 0.00 -0.51 0.09 0.00 0.00 177.13 176.71 1eia s ASP 209 N -4.11 6.63 0.53 1.62 -0.00 -0.64 -4.98 116.67 115.71 1eia s ASP 209 Ca 0.03 2.02 -0.20 0.00 -0.00 0.00 0.00 52.55 54.40 1eia s ASP 209 Cb 0.09 -2.58 -0.08 0.00 -0.00 0.00 0.00 42.92 40.35 1eia s ASP 209 CO 0.34 -0.58 0.84 0.35 -0.00 0.00 0.00 175.17 176.12 1eia n THR 210 N -0.31 2.85 0.30 -1.27 -2.24 -1.26 -4.86 114.28 107.48 1eia n THR 210 Ca 0.06 -0.50 0.17 0.00 -2.27 0.00 0.00 64.05 61.51 1eia n THR 210 Cb 0.50 -1.00 0.94 0.00 -2.10 0.00 0.00 70.33 68.68 1eia n THR 210 CO 0.00 0.00 0.00 0.25 -0.57 0.00 0.00 175.07 174.75 1eia h LEU 211 N 0.75 0.00 -0.08 3.22 5.85 -1.93 -2.22 115.31 120.89 1eia h LEU 211 Ca -0.46 0.00 -0.05 0.00 0.84 0.00 0.00 57.88 58.21 1eia h LEU 211 Cb 1.37 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 42.40 1eia h LEU 211 CO 0.52 0.03 -0.14 -0.08 -0.34 0.00 0.00 178.44 178.43 1eia h GLU 212 N 0.00 0.24 -0.86 1.25 4.81 -1.99 -1.14 114.58 116.89 1eia h GLU 212 Ca -0.00 -0.15 0.08 0.00 -0.13 0.00 0.00 59.36 59.16 1eia h GLU 212 Cb 0.13 0.02 -0.06 0.00 0.63 0.00 0.00 28.75 29.46 1eia h GLU 212 CO 0.00 0.72 0.56 0.93 -0.73 0.00 0.00 179.01 180.50 1eia h GLU 213 N -0.21 0.88 -0.18 1.92 5.08 -1.77 0.46 114.58 120.76 1eia h GLU 213 Ca 0.01 -0.05 -0.06 0.00 -1.00 0.00 0.00 59.36 58.25 1eia h GLU 213 Cb 0.70 -0.20 -0.00 0.00 0.50 0.00 0.00 28.75 29.75 1eia h GLU 213 CO 0.03 0.58 -0.14 0.87 -1.00 0.00 0.00 179.01 179.36 1eia h LYS 214 N 0.91 0.40 -0.68 2.33 1.57 -1.36 -2.68 116.57 117.06 1eia h LYS 214 Ca 0.38 -0.20 -0.04 0.00 -1.87 0.00 0.00 60.65 58.92 1eia h LYS 214 Cb 0.31 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 32.59 1eia h LYS 214 CO -0.15 0.75 0.26 0.52 -0.57 0.00 0.00 179.45 180.26 1eia h MET 215 N 0.07 1.03 0.01 3.15 2.86 -0.60 -2.78 114.93 118.68 1eia h MET 215 Ca 0.03 -0.19 0.03 0.00 -2.06 0.00 0.00 59.70 57.51 1eia h MET 215 Cb 0.66 -0.16 -0.05 0.00 0.06 0.00 0.00 31.60 32.11 1eia h MET 215 CO 0.04 0.86 -0.28 -0.92 1.06 0.00 0.00 176.91 177.67 1eia h TYR 216 N 0.98 -0.76 -1.00 -0.22 3.20 -0.91 -0.39 116.97 117.87 1eia h TYR 216 Ca 0.23 0.02 0.19 0.00 3.14 0.00 0.00 58.73 62.31 1eia h TYR 216 Cb 0.23 0.34 -0.10 0.00 1.54 0.00 0.00 36.73 38.73 1eia h TYR 216 CO 0.02 -0.38 0.61 0.00 -1.64 0.00 0.00 178.16 176.77 1eia h ALA 217 N 0.34 1.73 -0.59 1.82 0.00 -1.26 -1.81 119.26 119.49 1eia h ALA 217 Ca 0.06 0.07 -0.25 0.00 0.00 0.00 0.00 54.91 54.79 1eia h ALA 217 Cb 0.51 -0.08 -0.15 0.00 0.00 0.00 0.00 17.79 18.08 1eia h ALA 217 CO -0.23 -0.10 0.20 0.00 0.00 0.00 0.00 179.25 179.11 1eia h ARG 219 N 1.49 -0.44 -3.05 0.00 0.11 -0.18 -3.31 114.38 109.00 1eia h ARG 219 Ca 0.30 0.03 -0.73 0.00 0.10 0.00 0.00 59.98 59.68 1eia h ARG 219 Cb 2.09 0.10 -0.33 0.00 1.11 0.00 0.00 29.97 32.94 1eia h ARG 219 CO 0.63 -0.30 0.18 -0.40 0.10 0.00 0.00 179.97 180.18 1eia n ASP 220 N -5.38 5.03 0.04 0.08 5.68 -1.26 -4.64 116.55 116.09 1eia n ASP 220 Ca -0.06 -3.26 0.00 0.00 -0.50 0.00 0.00 54.79 50.97 1eia n ASP 220 Cb 0.30 -1.11 0.00 0.00 -1.14 0.00 0.00 41.12 39.17 1eia n ASP 220 CO 0.00 0.00 0.00 -0.38 -1.33 0.00 0.00 177.20 175.49 1eia n ILE 221 N 1.82 0.60 1.85 2.12 5.41 -1.25 -5.18 119.36 124.73 1eia n ILE 221 Ca 0.25 0.20 0.15 0.00 1.00 0.00 0.00 62.75 64.34 1eia n ILE 221 Cb 0.37 -1.41 0.88 0.00 -0.71 0.00 0.00 39.64 38.77 1eia n ILE 221 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16