#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2eia n ARG 18 N 0.00 1.11 -0.35 -0.52 1.74 -1.26 -0.17 116.66 117.21 2eia n ARG 18 Ca 0.00 0.40 0.00 0.00 -0.77 0.00 0.00 57.85 57.48 2eia n ARG 18 Cb 0.00 -2.05 0.00 0.00 -1.02 0.00 0.00 32.46 29.39 2eia n ARG 18 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2eia n GLY 19 N 3.02 0.71 0.41 -0.13 0.00 -1.26 -4.93 105.19 103.00 2eia n GLY 19 Ca 0.21 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 46.15 2eia n GLY 19 CO 0.00 0.00 0.00 -1.82 0.00 0.00 0.00 173.32 171.50 2eia h TYR 20 N 0.00 -1.61 0.64 1.61 3.20 -0.99 0.60 116.97 120.44 2eia h TYR 20 Ca 0.00 0.12 -0.02 0.00 3.14 0.00 0.00 58.73 61.96 2eia h TYR 20 Cb 0.00 0.83 -0.01 0.00 1.54 0.00 0.00 36.73 39.09 2eia h TYR 20 CO 0.00 -0.39 -0.45 1.15 -1.64 0.00 0.00 178.16 176.83 2eia h THR 21 N -0.02 0.10 -0.83 1.81 2.02 -1.93 -0.36 112.91 113.69 2eia h THR 21 Ca 0.22 0.00 0.13 0.00 0.77 0.00 0.00 66.41 67.53 2eia h THR 21 Cb 0.48 0.10 -0.09 0.00 -1.74 0.00 0.00 68.15 66.90 2eia h THR 21 CO -0.94 0.00 0.43 0.74 0.37 0.00 0.00 175.52 176.12 2eia h THR 22 N -1.05 0.78 0.10 3.16 2.02 -1.84 0.14 112.91 116.22 2eia h THR 22 Ca -0.08 -0.22 -0.00 0.00 0.77 0.00 0.00 66.41 66.87 2eia h THR 22 Cb 0.87 0.07 -0.00 0.00 -1.74 0.00 0.00 68.15 67.34 2eia h THR 22 CO 0.05 0.12 -0.09 -0.25 0.37 0.00 0.00 175.52 175.72 2eia h TRP 23 N 0.65 -0.24 -0.94 3.16 -0.00 0.58 0.11 115.95 119.28 2eia h TRP 23 Ca 0.44 0.00 0.21 0.00 -0.00 0.00 0.00 58.89 59.53 2eia h TRP 23 Cb 0.56 0.09 -0.12 0.00 -0.00 0.00 0.00 29.16 29.70 2eia h TRP 23 CO -0.09 -0.12 0.50 0.28 -0.00 0.00 0.00 178.44 179.01 2eia h VAL 24 N -0.19 0.58 -0.82 2.65 2.07 -0.77 0.22 116.25 119.99 2eia h VAL 24 Ca -0.01 -0.19 -0.03 0.00 0.82 0.00 0.00 66.70 67.29 2eia h VAL 24 Cb 0.16 -0.03 -0.04 0.00 -1.52 0.00 0.00 31.29 29.86 2eia h VAL 24 CO -0.00 0.10 0.41 -1.13 0.02 0.00 0.00 177.57 176.97 2eia h ASN 25 N 0.56 1.05 -0.16 0.57 -0.73 -0.46 0.11 115.58 116.52 2eia h ASN 25 Ca 0.57 -0.12 -0.12 0.00 1.87 0.00 0.00 56.30 58.49 2eia h ASN 25 Cb 1.01 -0.27 0.00 0.00 0.27 0.00 0.00 38.32 39.33 2eia h ASN 25 CO -0.46 0.88 -0.38 0.74 -0.37 0.00 0.00 177.43 177.84 2eia h THR 26 N 1.15 1.35 -0.17 -3.57 2.02 0.11 -2.47 112.91 111.33 2eia h THR 26 Ca 0.28 -1.65 -0.01 0.00 0.77 0.00 0.00 66.41 65.81 2eia h THR 26 Cb 0.09 1.99 -0.01 0.00 -1.74 0.00 0.00 68.15 68.48 2eia h THR 26 CO -0.04 0.50 0.08 0.40 0.37 0.00 0.00 175.52 176.83 2eia h ILE 27 N 0.18 1.06 0.03 3.11 1.08 -0.85 0.27 117.51 122.40 2eia h ILE 27 Ca -0.00 -0.18 -0.24 0.00 -0.39 0.00 0.00 64.86 64.05 2eia h ILE 27 Cb 0.99 0.85 0.00 0.00 -3.07 0.00 0.00 36.82 35.59 2eia h ILE 27 CO 0.08 0.07 -1.01 1.56 -0.69 0.00 0.00 178.15 178.16 2eia h GLN 28 N 0.23 0.36 0.07 2.37 4.20 -0.67 -0.93 115.11 120.75 2eia h GLN 28 Ca 0.06 -0.43 -0.28 0.00 0.06 0.00 0.00 58.65 58.05 2eia h GLN 28 Cb 0.03 0.13 -0.02 0.00 0.30 0.00 0.00 27.48 27.92 2eia h GLN 28 CO -0.01 1.12 -1.52 1.79 -0.67 0.00 0.00 178.83 179.54 2eia h THR 29 N 0.18 0.86 0.00 -0.54 1.35 -1.01 -3.39 112.91 110.37 2eia h THR 29 Ca -0.09 -2.29 0.00 0.00 -0.55 0.00 0.00 66.41 63.48 2eia h THR 29 Cb 1.67 2.45 0.00 0.00 -1.73 0.00 0.00 68.15 70.54 2eia h THR 29 CO 0.17 0.61 -1.14 0.59 -0.25 0.00 0.00 175.52 175.50 2eia n ASN 30 N -4.00 0.59 0.00 5.36 4.13 0.04 -5.04 115.26 116.35 2eia n ASN 30 Ca -0.30 -0.27 0.00 0.00 1.68 0.00 0.00 54.58 55.69 2eia n ASN 30 Cb 0.85 0.96 0.00 0.00 -1.54 0.00 0.00 39.78 40.05 2eia n ASN 30 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 2eia n GLY 31 N 1.37 -2.08 3.76 7.41 0.00 -0.35 -4.72 105.19 110.57 2eia n GLY 31 Ca 0.01 -1.41 -0.36 0.00 0.00 0.00 0.00 46.02 44.26 2eia n GLY 31 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2eia s LEU 32 N -2.93 3.75 -0.60 0.99 2.96 -1.23 -3.65 118.68 117.98 2eia s LEU 32 Ca 0.00 2.41 -0.02 0.00 -0.22 0.00 0.00 54.13 56.30 2eia s LEU 32 Cb 0.00 -4.50 -0.02 0.00 0.50 0.00 0.00 46.19 42.17 2eia s LEU 32 CO 0.00 -1.45 0.51 0.18 -1.32 0.00 0.00 176.35 174.27 2eia n LEU 33 N -1.32 -3.53 -3.87 -0.68 4.77 -1.26 -4.98 117.00 106.14 2eia n LEU 33 Ca 0.12 -0.36 -0.11 0.00 -0.03 0.00 0.00 56.01 55.63 2eia n LEU 33 Cb 0.49 -1.93 -0.10 0.00 -2.33 0.00 0.00 43.42 39.55 2eia n LEU 33 CO 0.46 0.13 -0.18 0.21 -1.33 0.00 0.00 177.39 176.68 2eia s ASN 34 N -3.46 0.02 0.29 -1.43 3.84 -1.24 -4.57 114.94 108.40 2eia s ASN 34 Ca 0.13 -0.19 0.04 0.00 0.21 0.00 0.00 52.86 53.05 2eia s ASN 34 Cb -0.02 0.21 0.71 0.00 -0.55 0.00 0.00 41.25 41.60 2eia s ASN 34 CO 0.39 -0.36 1.74 -0.33 -2.79 0.00 0.00 177.10 175.75 2eia h GLU 35 N 4.35 0.56 -0.22 0.43 5.08 -1.94 0.61 114.58 123.45 2eia h GLU 35 Ca -0.31 -0.03 -0.03 0.00 -1.00 0.00 0.00 59.36 57.99 2eia h GLU 35 Cb 1.19 -0.13 -0.01 0.00 0.50 0.00 0.00 28.75 30.31 2eia h GLU 35 CO 0.41 0.37 0.03 0.00 -1.00 0.00 0.00 179.01 178.82 2eia h ALA 36 N 1.66 0.29 -0.67 3.43 0.00 -1.96 -1.06 119.26 120.95 2eia h ALA 36 Ca 0.56 -0.18 -0.01 0.00 0.00 0.00 0.00 54.91 55.28 2eia h ALA 36 Cb 0.95 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 18.63 2eia h ALA 36 CO -0.44 -0.03 0.37 0.77 0.00 0.00 0.00 179.25 179.92 2eia h SER 37 N 0.16 0.84 0.03 0.00 0.02 -1.47 -1.67 113.55 111.46 2eia h SER 37 Ca 0.07 -0.09 -0.00 0.00 -0.84 0.00 0.00 61.79 60.92 2eia h SER 37 Cb 0.32 -0.21 0.00 0.00 0.14 0.00 0.00 62.40 62.65 2eia h SER 37 CO 0.00 0.69 -0.02 -0.61 -1.14 0.00 0.00 176.83 175.76 2eia h GLN 38 N 0.92 -0.04 -0.16 3.45 4.15 -0.77 -0.82 115.11 121.84 2eia h GLN 38 Ca 0.24 0.00 0.04 0.00 0.77 0.00 0.00 58.65 59.70 2eia h GLN 38 Cb 0.03 0.01 -0.05 0.00 0.21 0.00 0.00 27.48 27.68 2eia h GLN 38 CO -0.04 -0.02 -0.12 -0.91 -1.93 0.00 0.00 178.83 175.81 2eia h ASN 39 N -0.05 -0.39 -0.60 -0.69 -0.26 -0.94 -1.57 115.58 111.08 2eia h ASN 39 Ca -0.00 0.08 0.06 0.00 -0.56 0.00 0.00 56.30 55.88 2eia h ASN 39 Cb 0.04 0.20 -0.06 0.00 -1.06 0.00 0.00 38.32 37.44 2eia h ASN 39 CO 0.01 -0.16 0.29 0.25 -1.06 0.00 0.00 177.43 176.76 2eia h LEU 40 N -0.13 0.40 -0.36 1.61 6.46 -1.13 -1.53 115.31 120.62 2eia h LEU 40 Ca 0.10 0.04 0.04 0.00 -0.12 0.00 0.00 57.88 57.94 2eia h LEU 40 Cb 0.28 -0.03 -0.04 0.00 -0.73 0.00 0.00 40.66 40.15 2eia h LEU 40 CO -0.24 0.26 0.15 0.15 -0.62 0.00 0.00 178.44 178.13 2eia h PHE 41 N 0.54 0.27 -0.89 1.25 3.57 -0.66 0.58 116.94 121.60 2eia h PHE 41 Ca 0.28 0.02 0.08 0.00 3.53 0.00 0.00 57.97 61.88 2eia h PHE 41 Cb 0.23 -0.07 -0.07 0.00 2.79 0.00 0.00 35.95 38.83 2eia h PHE 41 CO -0.11 0.12 0.54 0.78 -2.23 0.00 0.00 178.31 177.41 2eia h GLY 42 N 0.31 1.37 0.95 2.40 0.00 -0.36 0.09 103.07 107.83 2eia h GLY 42 Ca 0.16 -0.37 -0.13 0.00 0.00 0.00 0.00 47.33 46.99 2eia h GLY 42 CO -0.14 0.20 -0.37 -2.22 0.00 0.00 0.00 176.54 174.01 2eia h ILE 43 N 0.93 1.32 0.00 2.60 2.04 -0.55 -3.32 117.51 120.52 2eia h ILE 43 Ca 0.41 -1.58 -0.01 0.00 1.00 0.00 0.00 64.86 64.68 2eia h ILE 43 Cb 0.30 1.78 -0.00 0.00 -0.74 0.00 0.00 36.82 38.16 2eia h ILE 43 CO -0.22 0.49 -0.06 -0.07 0.00 0.00 0.00 178.15 178.30 2eia h LEU 44 N 0.34 0.00 -0.49 1.44 3.38 -0.61 -3.33 115.31 116.04 2eia h LEU 44 Ca 0.02 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.99 2eia h LEU 44 Cb 0.96 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.71 2eia h LEU 44 CO 0.08 0.06 -0.34 -1.54 0.09 0.00 0.00 178.44 176.79 2eia n SER 45 N -3.12 1.11 -4.68 -0.43 3.41 -0.01 -4.80 113.62 105.11 2eia n SER 45 Ca 0.04 -0.91 -0.46 0.00 -0.26 0.00 0.00 58.87 57.27 2eia n SER 45 Cb 0.55 0.23 -0.04 0.00 -0.26 0.00 0.00 64.21 64.68 2eia n SER 45 CO 0.00 0.00 0.00 0.52 -0.16 0.00 0.00 175.04 175.40 2eia n VAL 46 N -0.68 0.35 -0.92 -3.33 0.31 -1.25 -0.44 118.33 112.37 2eia n VAL 46 Ca 0.11 -0.06 0.00 0.00 -0.01 0.00 0.00 64.34 64.37 2eia n VAL 46 Cb 0.36 -1.82 0.00 0.00 -0.91 0.00 0.00 33.84 31.48 2eia n VAL 46 CO 0.00 0.00 0.00 0.47 -1.32 0.00 0.00 176.83 175.98 2eia n ASP 47 N 5.37 -2.93 -4.79 4.52 10.43 -1.26 -4.99 116.55 122.91 2eia n ASP 47 Ca 0.20 0.00 -0.32 0.00 2.57 0.00 0.00 54.79 57.23 2eia n ASP 47 Cb 0.31 -1.67 0.04 0.00 1.84 0.00 0.00 41.12 41.64 2eia n ASP 47 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 177.20 176.13 2eia s THR 49 N -2.52 4.22 0.34 0.00 -4.23 -1.26 -4.85 115.64 107.35 2eia s THR 49 Ca 0.64 0.53 0.04 0.00 -1.18 0.00 0.00 61.69 61.72 2eia s THR 49 Cb -0.18 -3.69 0.29 0.00 1.34 0.00 0.00 72.50 70.26 2eia s THR 49 CO 0.43 -0.85 1.94 0.28 -0.54 0.00 0.00 174.62 175.88 2eia h SER 50 N -0.32 0.74 -0.30 3.99 0.02 -1.88 -0.37 113.55 115.44 2eia h SER 50 Ca -0.45 0.00 -0.01 0.00 -0.84 0.00 0.00 61.79 60.49 2eia h SER 50 Cb 1.22 -0.16 -0.01 0.00 0.14 0.00 0.00 62.40 63.59 2eia h SER 50 CO 0.62 0.48 0.15 -0.08 -1.14 0.00 0.00 176.83 176.86 2eia h GLU 51 N 0.85 0.42 -0.65 3.45 4.81 -1.88 -0.73 114.58 120.86 2eia h GLU 51 Ca 0.34 -0.06 0.02 0.00 -0.13 0.00 0.00 59.36 59.53 2eia h GLU 51 Cb 0.23 -0.08 -0.04 0.00 0.63 0.00 0.00 28.75 29.50 2eia h GLU 51 CO -0.12 0.39 0.41 0.93 -0.73 0.00 0.00 179.01 179.90 2eia h GLU 52 N 0.35 0.80 -0.33 1.92 5.08 -1.65 -1.38 114.58 119.36 2eia h GLU 52 Ca 0.10 -0.05 -0.02 0.00 -1.00 0.00 0.00 59.36 58.39 2eia h GLU 52 Cb 0.11 -0.18 -0.01 0.00 0.50 0.00 0.00 28.75 29.16 2eia h GLU 52 CO -0.01 0.53 0.12 0.52 -1.00 0.00 0.00 179.01 179.17 2eia h MET 53 N 0.82 0.50 -0.87 2.33 2.86 -0.85 -2.14 114.93 117.58 2eia h MET 53 Ca 0.25 -0.10 0.14 0.00 -2.06 0.00 0.00 59.70 57.93 2eia h MET 53 Cb -0.03 -0.08 -0.07 0.00 0.06 0.00 0.00 31.60 31.49 2eia h MET 53 CO -0.08 0.52 0.56 -0.91 1.06 0.00 0.00 176.91 178.06 2eia h ASN 54 N 0.38 0.65 -0.52 1.22 -0.26 -0.73 0.22 115.58 116.55 2eia h ASN 54 Ca 0.11 0.04 0.01 0.00 -0.56 0.00 0.00 56.30 55.90 2eia h ASN 54 Cb 0.21 -0.09 -0.03 0.00 -1.06 0.00 0.00 38.32 37.35 2eia h ASN 54 CO -0.01 0.34 0.33 0.00 -1.06 0.00 0.00 177.43 177.03 2eia h ALA 55 N 1.60 0.66 -0.54 -0.83 0.00 -0.61 -0.66 119.26 118.87 2eia h ALA 55 Ca 0.43 -0.03 0.08 0.00 0.00 0.00 0.00 54.91 55.39 2eia h ALA 55 Cb 0.68 -0.19 -0.06 0.00 0.00 0.00 0.00 17.79 18.22 2eia h ALA 55 CO -0.19 0.07 0.20 0.74 0.00 0.00 0.00 179.25 180.06 2eia h PHE 56 N 0.67 0.35 0.00 0.00 0.04 -0.60 0.66 116.94 118.05 2eia h PHE 56 Ca 0.20 0.03 -0.04 0.00 2.80 0.00 0.00 57.97 60.95 2eia h PHE 56 Cb -0.04 -0.07 -0.01 0.00 2.20 0.00 0.00 35.95 38.03 2eia h PHE 56 CO -0.05 0.11 -0.21 -0.07 -0.60 0.00 0.00 178.31 177.49 2eia h LEU 57 N 0.38 0.00 0.03 1.54 3.38 -0.80 -3.01 115.31 116.83 2eia h LEU 57 Ca 0.26 0.00 -0.31 0.00 0.09 0.00 0.00 57.88 57.93 2eia h LEU 57 Cb 0.29 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.00 2eia h LEU 57 CO -0.26 0.21 -1.76 0.44 0.09 0.00 0.00 178.44 177.16 2eia h ASP 58 N 0.00 0.10 0.00 -0.43 3.32 0.26 -3.23 116.42 116.44 2eia h ASP 58 Ca -0.00 -0.23 0.00 0.00 0.02 0.00 0.00 57.03 56.82 2eia h ASP 58 Cb 0.39 -0.03 0.00 0.00 0.22 0.00 0.00 39.33 39.91 2eia h ASP 58 CO 0.03 1.21 0.00 0.55 -1.72 0.00 0.00 179.24 179.30 2eia n VAL 59 N -3.16 0.00 -1.80 -1.35 3.14 0.22 -4.65 118.33 110.73 2eia n VAL 59 Ca -0.20 0.00 -0.42 0.00 -2.96 0.00 0.00 64.34 60.77 2eia n VAL 59 Cb 1.05 -0.77 -0.02 0.00 -1.06 0.00 0.00 33.84 33.04 2eia n VAL 59 CO 0.00 0.00 0.00 -0.69 -6.46 0.00 0.00 176.83 169.68 2eia s VAL 60 N -2.00 2.13 -1.65 1.55 1.01 -1.16 -4.78 120.40 115.50 2eia s VAL 60 Ca 0.20 0.11 0.00 0.00 0.00 0.00 0.00 61.98 62.28 2eia s VAL 60 Cb 0.09 -3.07 0.00 0.00 0.00 0.00 0.00 36.38 33.40 2eia s VAL 60 CO 0.15 0.02 0.17 -0.81 0.00 0.00 0.00 175.10 174.62 2eia n PRO 61 N 2.35 0.00 -1.76 2.72 -0.04 -1.26 -4.77 135.00 132.24 2eia n PRO 61 Ca 0.09 0.00 -0.01 0.00 -0.04 0.00 0.00 63.50 63.54 2eia n PRO 61 Cb 0.38 -1.20 0.00 0.00 -0.04 0.00 0.00 33.50 32.63 2eia n PRO 61 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2eia n GLY 62 N -0.61 -2.09 1.49 0.55 0.00 -1.26 -4.95 105.19 98.31 2eia n GLY 62 Ca 0.00 0.02 0.10 0.00 0.00 0.00 0.00 46.02 46.14 2eia n GLY 62 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2eia n GLN 63 N -0.13 3.32 0.00 1.61 6.02 -1.26 -4.95 117.38 121.99 2eia n GLN 63 Ca 0.01 -2.72 0.00 0.00 -0.01 0.00 0.00 57.00 54.28 2eia n GLN 63 Cb 0.04 -1.77 0.00 0.00 1.02 0.00 0.00 30.24 29.53 2eia n GLN 63 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 2eia n ALA 64 N 1.29 0.00 0.01 -1.58 0.00 -1.26 -2.14 120.51 116.83 2eia n ALA 64 Ca 0.25 0.00 -0.13 0.00 0.00 0.00 0.00 53.44 53.56 2eia n ALA 64 Cb 0.78 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 20.17 2eia n ALA 64 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 2eia h GLY 65 N 0.00 -0.72 0.52 0.00 0.00 -1.98 0.52 103.07 101.40 2eia h GLY 65 Ca 0.00 0.52 0.04 0.00 0.00 0.00 0.00 47.33 47.88 2eia h GLY 65 CO 0.00 -0.23 -0.13 1.46 0.00 0.00 0.00 176.54 177.64 2eia h GLN 66 N -0.51 -0.16 -0.64 4.80 1.08 -1.81 -0.03 115.11 117.84 2eia h GLN 66 Ca 0.07 0.01 0.00 0.00 -1.45 0.00 0.00 58.65 57.28 2eia h GLN 66 Cb 0.63 0.04 -0.03 0.00 -0.05 0.00 0.00 27.48 28.07 2eia h GLN 66 CO -0.38 -0.11 0.41 -0.22 -0.95 0.00 0.00 178.83 177.59 2eia h LYS 67 N -0.17 0.85 -0.26 1.46 3.64 -1.64 -2.10 116.57 118.36 2eia h LYS 67 Ca 0.09 -0.06 -0.11 0.00 -1.27 0.00 0.00 60.65 59.30 2eia h LYS 67 Cb 0.29 -0.19 -0.00 0.00 -0.41 0.00 0.00 32.23 31.92 2eia h LYS 67 CO -0.22 0.57 -0.27 1.96 -2.27 0.00 0.00 179.45 179.23 2eia h GLN 68 N 0.87 0.64 -0.62 1.90 1.08 0.75 -1.35 115.11 118.38 2eia h GLN 68 Ca 0.23 -0.34 -0.01 0.00 -1.45 0.00 0.00 58.65 57.08 2eia h GLN 68 Cb -0.08 0.01 -0.03 0.00 -0.05 0.00 0.00 27.48 27.33 2eia h GLN 68 CO -0.05 0.94 0.34 0.97 -0.95 0.00 0.00 178.83 180.08 2eia h ILE 69 N 0.36 1.19 -0.26 2.54 6.09 -0.74 -1.31 117.51 125.37 2eia h ILE 69 Ca 0.04 -0.47 -0.06 0.00 -1.37 0.00 0.00 64.86 63.00 2eia h ILE 69 Cb 0.83 0.35 -0.01 0.00 0.47 0.00 0.00 36.82 38.47 2eia h ILE 69 CO 0.07 0.21 -0.07 0.25 -3.07 0.00 0.00 178.15 175.54 2eia h LEU 70 N 0.86 0.51 -0.98 2.19 5.85 -1.22 -1.47 115.31 121.06 2eia h LEU 70 Ca 0.22 -0.37 -0.08 0.00 0.84 0.00 0.00 57.88 58.50 2eia h LEU 70 Cb 0.02 -0.14 -0.02 0.00 0.37 0.00 0.00 40.66 40.90 2eia h LEU 70 CO -0.04 0.76 -0.09 -0.07 -0.34 0.00 0.00 178.44 178.67 2eia h LEU 71 N 0.26 0.63 -0.25 2.25 3.38 -0.88 -0.14 115.31 120.55 2eia h LEU 71 Ca 0.07 -0.16 -0.03 0.00 0.09 0.00 0.00 57.88 57.85 2eia h LEU 71 Cb 0.54 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 41.11 2eia h LEU 71 CO 0.03 0.75 0.05 0.44 0.09 0.00 0.00 178.44 179.80 2eia h ASP 72 N 0.60 0.38 -0.91 -0.43 3.45 -1.18 0.82 116.42 119.14 2eia h ASP 72 Ca 0.11 -0.24 0.06 0.00 0.43 0.00 0.00 57.03 57.39 2eia h ASP 72 Cb 0.50 -0.10 -0.06 0.00 -0.56 0.00 0.00 39.33 39.11 2eia h ASP 72 CO 0.03 0.52 0.57 0.00 -1.57 0.00 0.00 179.24 178.80 2eia h ALA 73 N 0.87 1.25 -0.00 3.45 0.00 -0.79 0.27 119.26 124.31 2eia h ALA 73 Ca 0.08 -0.01 -0.10 0.00 0.00 0.00 0.00 54.91 54.87 2eia h ALA 73 Cb 0.30 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.81 2eia h ALA 73 CO 0.00 0.34 -0.47 0.82 0.00 0.00 0.00 179.25 179.95 2eia h ILE 74 N 1.05 1.34 -0.14 0.00 2.04 -0.67 -1.88 117.51 119.25 2eia h ILE 74 Ca 0.39 -1.60 -0.08 0.00 1.00 0.00 0.00 64.86 64.58 2eia h ILE 74 Cb 0.16 1.86 -0.00 0.00 -0.74 0.00 0.00 36.82 38.10 2eia h ILE 74 CO -0.17 0.46 -0.22 0.44 0.00 0.00 0.00 178.15 178.66 2eia h ASP 75 N 0.00 0.43 -0.86 1.72 3.32 0.17 0.09 116.42 121.30 2eia h ASP 75 Ca -0.00 -0.53 0.07 0.00 0.02 0.00 0.00 57.03 56.58 2eia h ASP 75 Cb 0.83 -0.12 -0.06 0.00 0.22 0.00 0.00 39.33 40.20 2eia h ASP 75 CO 0.06 0.88 0.56 0.50 -1.72 0.00 0.00 179.24 179.52 2eia h LYS 76 N -0.00 0.91 -0.00 3.56 3.64 -0.46 0.36 116.57 124.57 2eia h LYS 76 Ca 0.01 -0.05 -0.00 0.00 -1.27 0.00 0.00 60.65 59.34 2eia h LYS 76 Cb 0.79 -0.20 -0.00 0.00 -0.41 0.00 0.00 32.23 32.41 2eia h LYS 76 CO 0.05 0.60 -0.00 0.82 -2.27 0.00 0.00 179.45 178.65 2eia h ILE 77 N 0.93 1.41 -0.76 2.00 1.08 -1.24 -2.69 117.51 118.24 2eia h ILE 77 Ca 0.37 -1.21 0.01 0.00 -0.39 0.00 0.00 64.86 63.64 2eia h ILE 77 Cb 0.25 2.23 -0.04 0.00 -3.07 0.00 0.00 36.82 36.19 2eia h ILE 77 CO -0.14 0.31 0.49 0.00 -0.69 0.00 0.00 178.15 178.13 2eia h ALA 78 N 0.49 0.96 -0.49 1.87 0.00 -0.27 -2.23 119.26 119.59 2eia h ALA 78 Ca 0.00 -0.06 -0.07 0.00 0.00 0.00 0.00 54.91 54.78 2eia h ALA 78 Cb 0.51 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 17.98 2eia h ALA 78 CO 0.00 0.39 0.01 -0.44 0.00 0.00 0.00 179.25 179.21 2eia h ASP 79 N 1.03 0.77 -0.44 0.00 3.45 -0.38 -1.61 116.42 119.24 2eia h ASP 79 Ca 0.28 -0.18 -0.02 0.00 0.43 0.00 0.00 57.03 57.53 2eia h ASP 79 Cb -0.10 -0.20 -0.02 0.00 -0.56 0.00 0.00 39.33 38.44 2eia h ASP 79 CO -0.06 0.83 0.21 -0.78 -1.57 0.00 0.00 179.24 177.87 2eia h ASP 80 N 0.75 0.62 -0.16 6.45 3.58 -1.07 -0.64 116.42 125.96 2eia h ASP 80 Ca 0.15 -0.07 -0.05 0.00 0.42 0.00 0.00 57.03 57.48 2eia h ASP 80 Cb 0.45 -0.16 -0.00 0.00 1.72 0.00 0.00 39.33 41.33 2eia h ASP 80 CO 0.02 0.56 -0.10 -0.25 -2.88 0.00 0.00 179.24 176.59 2eia h TRP 81 N 0.69 0.40 -0.72 0.28 2.91 -0.81 -1.89 115.95 116.81 2eia h TRP 81 Ca 0.17 -0.11 0.03 0.00 1.13 0.00 0.00 58.89 60.11 2eia h TRP 81 Cb 0.12 -0.09 -0.04 0.00 -0.51 0.00 0.00 29.16 28.64 2eia h TRP 81 CO 0.01 0.68 0.47 -0.44 -1.03 0.00 0.00 178.44 178.14 2eia h ASP 82 N 0.00 0.76 -0.83 2.65 3.45 -1.05 0.19 116.42 121.59 2eia h ASP 82 Ca 0.03 -0.01 -0.02 0.00 0.43 0.00 0.00 57.03 57.46 2eia h ASP 82 Cb 0.59 -0.18 -0.04 0.00 -0.56 0.00 0.00 39.33 39.14 2eia h ASP 82 CO 0.03 0.53 0.45 -1.13 -1.57 0.00 0.00 179.24 177.55 2eia h ASN 83 N 0.89 1.04 0.05 6.45 -0.73 -0.88 -1.10 115.58 121.29 2eia h ASN 83 Ca 0.28 -0.10 0.00 0.00 1.87 0.00 0.00 56.30 58.35 2eia h ASN 83 Cb 0.03 -0.26 0.00 0.00 0.27 0.00 0.00 38.32 38.36 2eia h ASN 83 CO -0.08 0.84 -0.09 0.54 -0.37 0.00 0.00 177.43 178.28 2eia n ARG 84 N -4.39 1.52 -3.04 6.67 1.74 -0.55 -4.28 116.66 114.32 2eia n ARG 84 Ca 0.08 -0.96 -0.16 0.00 -0.77 0.00 0.00 57.85 56.03 2eia n ARG 84 Cb 0.10 -1.48 -0.00 0.00 -1.02 0.00 0.00 32.46 30.05 2eia n ARG 84 CO 0.00 0.00 0.00 0.72 -1.52 0.00 0.00 177.63 176.83 2eia n HIS 85 N 0.10 -0.96 -1.97 -1.55 8.25 0.56 -5.07 115.22 114.58 2eia n HIS 85 Ca 0.16 -3.19 -0.41 0.00 -0.26 0.00 0.00 57.72 54.02 2eia n HIS 85 Cb 0.39 0.25 -0.02 0.00 1.12 0.00 0.00 29.99 31.73 2eia n HIS 85 CO 0.00 0.00 0.00 -1.25 0.64 0.00 0.00 176.34 175.73 2eia s PRO 86 N -1.26 4.24 -0.08 -0.41 0.04 -0.46 -4.64 135.00 132.43 2eia s PRO 86 Ca 0.34 2.36 0.00 0.00 0.04 0.00 0.00 61.00 63.74 2eia s PRO 86 Cb 0.29 -3.08 0.02 0.00 0.04 0.00 0.00 34.50 31.78 2eia s PRO 86 CO -0.10 -0.42 -0.06 -0.51 0.04 0.00 0.00 177.00 175.95 2eia s LEU 87 N -0.80 1.17 -0.38 -3.56 1.43 -1.26 -5.10 118.68 110.17 2eia s LEU 87 Ca 0.57 -0.23 -0.32 0.00 -1.03 0.00 0.00 54.13 53.13 2eia s LEU 87 Cb -0.43 -0.69 -0.10 0.00 0.03 0.00 0.00 46.19 45.01 2eia s LEU 87 CO 0.48 -0.10 2.26 -2.65 0.23 0.00 0.00 176.35 176.58 2eia n PRO 88 N 4.62 1.21 -3.80 1.29 -0.02 -1.26 -3.40 135.00 133.64 2eia n PRO 88 Ca -0.15 0.29 -0.24 0.00 -2.02 0.00 0.00 63.50 61.38 2eia n PRO 88 Cb 0.50 -2.73 -0.01 0.00 -0.02 0.00 0.00 33.50 31.25 2eia n PRO 88 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 2eia n ASN 89 N 11.22 -1.39 -4.76 2.55 4.13 -1.26 -4.78 115.26 120.97 2eia n ASN 89 Ca 0.40 -0.73 -0.39 0.00 1.68 0.00 0.00 54.58 55.54 2eia n ASN 89 Cb 0.31 -0.88 0.01 0.00 -1.54 0.00 0.00 39.78 37.69 2eia n ASN 89 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 2eia s ALA 90 N -4.05 3.16 0.59 5.41 0.00 -1.22 -4.92 121.76 120.72 2eia s ALA 90 Ca 0.19 1.31 -0.19 0.00 0.00 0.00 0.00 51.96 53.28 2eia s ALA 90 Cb -0.11 -3.53 -0.05 0.00 0.00 0.00 0.00 23.12 19.43 2eia s ALA 90 CO 0.55 -1.04 0.96 -0.35 0.00 0.00 0.00 175.76 175.87 2eia n PRO 91 N -0.23 0.91 0.00 0.00 -0.04 -1.26 -4.88 135.00 129.49 2eia n PRO 91 Ca 0.06 0.35 0.15 0.00 -0.04 0.00 0.00 63.50 64.01 2eia n PRO 91 Cb 0.43 -2.15 0.68 0.00 -0.04 0.00 0.00 33.50 32.42 2eia n PRO 91 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 2eia n LEU 92 N -0.68 0.58 -3.97 1.53 4.77 -1.26 -4.74 117.00 113.23 2eia n LEU 92 Ca 0.13 -0.11 -0.13 0.00 -0.03 0.00 0.00 56.01 55.88 2eia n LEU 92 Cb 0.47 -0.09 -0.13 0.00 -2.33 0.00 0.00 43.42 41.34 2eia n LEU 92 CO 0.50 0.10 -0.38 -0.69 -1.33 0.00 0.00 177.39 175.59 2eia s VAL 93 N -2.25 0.27 0.25 4.08 1.01 -1.26 -4.31 120.40 118.19 2eia s VAL 93 Ca 0.36 -0.53 -0.30 0.00 0.00 0.00 0.00 61.98 61.52 2eia s VAL 93 Cb 0.21 -0.31 -0.09 0.00 0.00 0.00 0.00 36.38 36.19 2eia s VAL 93 CO 0.42 -0.17 0.96 0.00 0.00 0.00 0.00 175.10 176.30 2eia s ALA 94 N -0.69 3.34 0.52 5.51 0.00 -0.84 -5.01 121.76 124.59 2eia s ALA 94 Ca -0.05 0.64 -0.22 0.00 0.00 0.00 0.00 51.96 52.33 2eia s ALA 94 Cb -0.05 -3.22 -0.06 0.00 0.00 0.00 0.00 23.12 19.78 2eia s ALA 94 CO -0.00 0.17 1.17 -2.30 0.00 0.00 0.00 175.76 174.79 2eia n PRO 95 N 1.40 1.42 0.00 0.00 -0.02 -1.26 -4.84 135.00 131.71 2eia n PRO 95 Ca -0.02 0.52 0.00 0.00 -2.02 0.00 0.00 63.50 61.99 2eia n PRO 95 Cb 0.47 -2.33 0.01 0.00 -0.02 0.00 0.00 33.50 31.62 2eia n PRO 95 CO 0.00 0.00 0.00 -0.35 1.98 0.00 0.00 175.50 177.13 2eia n PRO 96 N -0.67 0.00 0.00 0.52 -0.04 -1.26 -4.71 135.00 128.84 2eia n PRO 96 Ca 0.11 0.40 0.00 0.00 -0.04 0.00 0.00 63.50 63.96 2eia n PRO 96 Cb 0.44 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.40 2eia n PRO 96 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2eia n GLN 97 N -1.40 0.00 0.00 0.54 0.00 -1.26 -5.03 117.38 110.22 2eia n GLN 97 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57.00 57.00 2eia n GLN 97 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30.24 30.24 2eia n GLN 97 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 2eia n GLY 98 N -0.04 2.39 3.50 2.61 0.00 -1.26 -4.93 105.19 107.46 2eia n GLY 98 Ca 0.00 -1.99 -0.42 0.00 0.00 0.00 0.00 46.02 43.62 2eia n GLY 98 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2eia n PRO 99 N 0.62 0.56 -2.10 1.61 -0.04 -1.26 -4.86 135.00 129.52 2eia n PRO 99 Ca 0.00 0.05 -0.42 0.00 -0.04 0.00 0.00 63.50 63.09 2eia n PRO 99 Cb 0.00 -2.37 -0.03 0.00 -0.04 0.00 0.00 33.50 31.06 2eia n PRO 99 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 2eia s ILE 100 N 9.80 3.14 0.66 0.52 1.01 -1.26 -4.97 121.20 130.09 2eia s ILE 100 Ca 1.17 0.80 -0.17 0.00 0.00 0.00 0.00 60.65 62.45 2eia s ILE 100 Cb -0.81 -3.51 -0.02 0.00 0.01 0.00 0.00 42.46 38.13 2eia s ILE 100 CO 0.41 0.06 1.02 -2.65 0.00 0.00 0.00 174.94 173.78 2eia n PRO 101 N 4.08 0.78 -2.93 2.79 -0.02 -1.26 -4.92 135.00 133.53 2eia n PRO 101 Ca 0.12 0.32 -0.37 0.00 -2.02 0.00 0.00 63.50 61.55 2eia n PRO 101 Cb 0.41 -2.25 -0.01 0.00 -0.02 0.00 0.00 33.50 31.63 2eia n PRO 101 CO 0.00 0.00 0.00 -0.12 1.98 0.00 0.00 175.50 177.36 2eia n MET 102 N -1.49 4.32 -2.83 -0.52 1.56 -1.26 -4.83 117.12 112.06 2eia n MET 102 Ca 0.14 -4.67 -0.29 0.00 -0.27 0.00 0.00 57.70 52.62 2eia n MET 102 Cb 0.48 -2.41 -0.02 0.00 2.15 0.00 0.00 33.22 33.42 2eia n MET 102 CO 0.00 0.00 0.00 0.95 -0.73 0.00 0.00 175.97 176.19 2eia s THR 103 N -3.57 4.88 0.33 1.12 -4.23 -1.26 -4.91 115.64 107.99 2eia s THR 103 Ca 0.38 0.35 0.05 0.00 -1.18 0.00 0.00 61.69 61.29 2eia s THR 103 Cb 0.15 -3.79 0.30 0.00 1.34 0.00 0.00 72.50 70.50 2eia s THR 103 CO -0.03 -0.64 1.88 0.00 -0.54 0.00 0.00 174.62 175.28 2eia h ALA 104 N 0.86 1.68 -0.31 3.99 0.00 -1.92 0.74 119.26 124.28 2eia h ALA 104 Ca -0.47 0.01 0.06 0.00 0.00 0.00 0.00 54.91 54.50 2eia h ALA 104 Cb 1.20 -0.18 -0.05 0.00 0.00 0.00 0.00 17.79 18.75 2eia h ALA 104 CO 0.63 0.11 -0.01 -0.09 0.00 0.00 0.00 179.25 179.89 2eia h ARG 105 N 0.84 0.07 0.00 0.00 2.43 -1.92 -1.57 114.38 114.23 2eia h ARG 105 Ca 0.44 -0.00 -0.07 0.00 -0.81 0.00 0.00 59.98 59.53 2eia h ARG 105 Cb 0.52 -0.02 -0.01 0.00 -0.42 0.00 0.00 29.97 30.04 2eia h ARG 105 CO -0.20 0.05 -0.33 0.74 -1.51 0.00 0.00 179.97 178.71 2eia h PHE 106 N 0.08 0.00 -0.12 2.20 0.04 -1.48 -2.35 116.94 115.30 2eia h PHE 106 Ca 0.15 0.00 -0.08 0.00 2.80 0.00 0.00 57.97 60.84 2eia h PHE 106 Cb 0.21 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.34 2eia h PHE 106 CO -0.24 0.33 -0.29 0.82 -0.60 0.00 0.00 178.31 178.34 2eia h ILE 107 N 0.00 1.25 -0.00 -0.55 2.04 -0.12 0.46 117.51 120.60 2eia h ILE 107 Ca -0.00 -1.20 0.00 0.00 1.00 0.00 0.00 64.86 64.66 2eia h ILE 107 Cb 1.02 1.49 0.00 0.00 -0.74 0.00 0.00 36.82 38.59 2eia h ILE 107 CO 0.04 0.36 -0.00 0.54 0.00 0.00 0.00 178.15 179.09 2eia n ARG 108 N -4.13 0.99 -1.47 2.37 1.74 -0.67 -4.53 116.66 110.95 2eia n ARG 108 Ca -0.01 -0.08 -0.16 0.00 -0.77 0.00 0.00 57.85 56.83 2eia n ARG 108 Cb 0.38 -1.50 -0.07 0.00 -1.02 0.00 0.00 32.46 30.26 2eia n ARG 108 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2eia n GLY 109 N 1.05 1.56 0.00 -0.13 0.00 0.16 -4.60 105.19 103.23 2eia n GLY 109 Ca 0.22 -0.01 0.00 0.00 0.00 0.00 0.00 46.02 46.23 2eia n GLY 109 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2eia n LEU 110 N -1.86 0.00 -0.55 0.99 4.77 -0.90 -2.24 117.00 117.21 2eia n LEU 110 Ca -0.16 0.10 0.00 0.00 -0.03 0.00 0.00 56.01 55.91 2eia n LEU 110 Cb 0.64 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.73 2eia n LEU 110 CO 0.25 0.00 0.12 0.61 -1.33 0.00 0.00 177.39 177.04 2eia n GLY 111 N -0.14 0.66 3.39 -0.72 0.00 -1.26 -4.66 105.19 102.45 2eia n GLY 111 Ca 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.62 2eia n GLY 111 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2eia s VAL 112 N -0.85 4.59 0.26 1.61 1.01 -0.95 -1.99 120.40 124.08 2eia s VAL 112 Ca 0.00 -0.77 -0.30 0.00 0.00 0.00 0.00 61.98 60.91 2eia s VAL 112 Cb 0.00 -3.52 -0.13 0.00 0.00 0.00 0.00 36.38 32.73 2eia s VAL 112 CO 0.00 -0.18 1.30 -0.81 0.00 0.00 0.00 175.10 175.41 2eia n PRO 113 N 5.00 1.86 -0.04 2.72 -0.04 -1.26 -4.75 135.00 138.48 2eia n PRO 113 Ca -0.12 0.66 -0.02 0.00 -0.04 0.00 0.00 63.50 63.97 2eia n PRO 113 Cb 0.47 -2.24 -0.02 0.00 -0.04 0.00 0.00 33.50 31.67 2eia n PRO 113 CO 0.00 0.00 0.00 -0.09 -0.04 0.00 0.00 175.50 175.37 2eia h ARG 114 N 3.45 -0.06 -0.28 0.54 2.43 -1.95 0.48 114.38 118.98 2eia h ARG 114 Ca -0.44 0.00 0.05 0.00 -0.81 0.00 0.00 59.98 58.78 2eia h ARG 114 Cb 1.29 0.01 -0.05 0.00 -0.42 0.00 0.00 29.97 30.81 2eia h ARG 114 CO 0.70 -0.04 -0.10 -1.91 -1.51 0.00 0.00 179.97 177.12 2eia n GLU 115 N -3.24 -0.05 0.04 0.20 2.13 -1.26 0.22 120.64 118.68 2eia n GLU 115 Ca -0.00 0.43 0.13 0.00 0.66 0.00 0.00 57.16 58.38 2eia n GLU 115 Cb 0.06 -0.64 0.41 0.00 0.27 0.00 0.00 31.44 31.53 2eia n GLU 115 CO 0.00 0.00 0.00 -2.13 -0.41 0.00 0.00 177.13 174.59 2eia n ARG 116 N -4.43 0.14 0.17 5.31 0.63 0.01 -3.40 116.66 115.08 2eia n ARG 116 Ca 0.03 0.08 0.06 0.00 -0.92 0.00 0.00 57.85 57.11 2eia n ARG 116 Cb 0.12 -1.63 0.08 0.00 0.45 0.00 0.00 32.46 31.48 2eia n ARG 116 CO 0.00 0.00 0.00 1.96 -2.51 0.00 0.00 177.63 177.08 2eia h GLN 117 N 0.00 0.00 0.00 -0.14 4.20 0.43 -3.24 115.11 116.37 2eia h GLN 117 Ca 0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 2eia h GLN 117 Cb 0.62 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.40 2eia h GLN 117 CO 0.00 0.29 0.00 -1.33 -0.67 0.00 0.00 178.83 177.12 2eia n MET 118 N -3.15 0.18 -2.65 1.46 2.81 -1.01 -4.52 117.12 110.23 2eia n MET 118 Ca 0.02 0.21 -0.41 0.00 -1.81 0.00 0.00 57.70 55.72 2eia n MET 118 Cb 0.65 -1.73 -0.05 0.00 -0.71 0.00 0.00 33.22 31.38 2eia n MET 118 CO 0.00 0.00 0.00 -1.83 1.51 0.00 0.00 175.97 175.65 2eia s GLU 119 N -3.11 4.73 0.00 0.03 -1.05 -1.22 -4.86 118.70 113.21 2eia s GLU 119 Ca 0.10 1.57 0.00 0.00 -0.15 0.00 0.00 54.97 56.49 2eia s GLU 119 Cb 0.13 -3.29 0.00 0.00 -0.44 0.00 0.00 34.13 30.53 2eia s GLU 119 CO 0.53 0.29 0.44 -0.35 0.95 0.00 0.00 175.26 177.12 2eia n PRO 120 N 2.01 0.00 0.00 -4.83 -0.04 -1.26 -1.00 135.00 129.88 2eia n PRO 120 Ca 0.00 -0.04 0.00 0.00 -0.04 0.00 0.00 63.50 63.43 2eia n PRO 120 Cb 0.47 -1.35 0.00 0.00 -0.04 0.00 0.00 33.50 32.59 2eia n PRO 120 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2eia n ALA 121 N 2.86 0.00 0.95 0.55 0.00 -1.26 -4.75 120.51 118.86 2eia n ALA 121 Ca 0.00 0.00 0.11 0.00 0.00 0.00 0.00 53.44 53.55 2eia n ALA 121 Cb 0.00 0.00 0.06 0.00 0.00 0.00 0.00 19.45 19.51 2eia n ALA 121 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 2eia n PHE 122 N 0.00 0.00 -0.06 0.00 7.35 -0.17 -4.53 117.46 120.04 2eia n PHE 122 Ca 0.00 0.00 -0.10 0.00 -0.76 0.00 0.00 57.45 56.59 2eia n PHE 122 Cb 0.00 0.00 -0.04 0.00 0.35 0.00 0.00 39.48 39.79 2eia n PHE 122 CO 0.00 0.00 0.00 -0.44 -0.76 0.00 0.00 176.76 175.56 2eia h ASP 123 N 3.63 -1.21 -0.16 -2.13 5.19 -1.85 0.33 116.42 120.22 2eia h ASP 123 Ca 0.00 0.18 0.05 0.00 -0.62 0.00 0.00 57.03 56.64 2eia h ASP 123 Cb 0.86 0.53 -0.01 0.00 0.18 0.00 0.00 39.33 40.89 2eia h ASP 123 CO 0.00 -0.37 0.13 1.56 -3.12 0.00 0.00 179.24 177.44 2eia h GLN 124 N -0.37 0.00 0.49 3.56 4.20 -1.97 -0.74 115.11 120.29 2eia h GLN 124 Ca 0.12 0.00 -0.02 0.00 0.06 0.00 0.00 58.65 58.81 2eia h GLN 124 Cb 0.58 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.36 2eia h GLN 124 CO -0.47 0.00 -0.24 0.74 -0.67 0.00 0.00 178.83 178.19 2eia h PHE 125 N 0.00 -0.62 -0.53 2.96 -1.00 -0.71 -3.00 116.94 114.05 2eia h PHE 125 Ca 0.07 -0.01 -0.06 0.00 2.81 0.00 0.00 57.97 60.78 2eia h PHE 125 Cb 0.32 0.20 -0.02 0.00 3.61 0.00 0.00 35.95 40.06 2eia h PHE 125 CO 0.00 -0.34 0.10 0.07 -1.61 0.00 0.00 178.31 176.53 2eia h ARG 126 N -1.14 0.82 0.00 1.51 0.11 -0.92 -1.30 114.38 113.46 2eia h ARG 126 Ca -0.07 -0.18 -0.05 0.00 0.10 0.00 0.00 59.98 59.79 2eia h ARG 126 Cb 0.55 -0.12 -0.01 0.00 1.11 0.00 0.00 29.97 31.50 2eia h ARG 126 CO 0.11 0.76 -0.22 1.96 0.10 0.00 0.00 179.97 182.68 2eia h GLN 127 N 0.79 0.00 0.17 0.08 4.20 -1.24 0.13 115.11 119.24 2eia h GLN 127 Ca 0.17 0.00 -0.31 0.00 0.06 0.00 0.00 58.65 58.57 2eia h GLN 127 Cb 0.33 0.00 0.01 0.00 0.30 0.00 0.00 27.48 28.12 2eia h GLN 127 CO 0.00 0.22 -1.40 1.15 -0.67 0.00 0.00 178.83 178.13 2eia h THR 128 N 0.00 1.34 -0.49 -0.54 2.02 -1.30 -3.05 112.91 110.89 2eia h THR 128 Ca -0.00 -2.87 -0.06 0.00 0.77 0.00 0.00 66.41 64.24 2eia h THR 128 Cb 0.45 2.94 -0.02 0.00 -1.74 0.00 0.00 68.15 69.78 2eia h THR 128 CO 0.03 0.85 0.05 0.22 0.37 0.00 0.00 175.52 177.04 2eia h TYR 129 N 0.10 0.88 -0.52 3.16 3.20 -0.44 -0.15 116.97 123.20 2eia h TYR 129 Ca -0.21 -0.13 0.09 0.00 3.14 0.00 0.00 58.73 61.62 2eia h TYR 129 Cb 2.06 -0.24 -0.07 0.00 1.54 0.00 0.00 36.73 40.02 2eia h TYR 129 CO 0.09 0.82 0.13 -0.09 -1.64 0.00 0.00 178.16 177.47 2eia h ARG 130 N 0.69 0.27 -0.81 1.82 2.43 -0.84 -0.11 114.38 117.83 2eia h ARG 130 Ca 0.14 -0.02 0.01 0.00 -0.81 0.00 0.00 59.98 59.31 2eia h ARG 130 Cb 0.43 -0.06 -0.04 0.00 -0.42 0.00 0.00 29.97 29.88 2eia h ARG 130 CO 0.01 0.18 0.53 1.96 -1.51 0.00 0.00 179.97 181.15 2eia h GLN 131 N 0.28 1.07 -0.75 0.20 1.08 -1.30 -0.10 115.11 115.60 2eia h GLN 131 Ca 0.26 -0.07 -0.02 0.00 -1.45 0.00 0.00 58.65 57.38 2eia h GLN 131 Cb 0.34 -0.24 -0.03 0.00 -0.05 0.00 0.00 27.48 27.50 2eia h GLN 131 CO -0.32 0.71 0.38 -1.49 -0.95 0.00 0.00 178.83 177.17 2eia h TRP 132 N 1.10 1.05 -0.45 2.96 4.06 0.47 0.32 115.95 125.46 2eia h TRP 132 Ca 0.30 -0.04 -0.08 0.00 2.06 0.00 0.00 58.89 61.13 2eia h TRP 132 Cb -0.12 -0.33 -0.02 0.00 -1.00 0.00 0.00 29.16 27.69 2eia h TRP 132 CO -0.01 0.76 -0.04 0.82 -3.56 0.00 0.00 178.44 176.40 2eia h ILE 133 N 1.04 1.27 -0.82 1.49 2.04 -0.65 0.44 117.51 122.31 2eia h ILE 133 Ca 0.26 -1.12 -0.03 0.00 1.00 0.00 0.00 64.86 64.97 2eia h ILE 133 Cb 0.08 1.09 -0.04 0.00 -0.74 0.00 0.00 36.82 37.21 2eia h ILE 133 CO -0.04 0.38 0.38 0.40 0.00 0.00 0.00 178.15 179.27 2eia h ILE 134 N 0.66 1.26 -0.47 -0.67 2.04 -0.46 0.17 117.51 120.03 2eia h ILE 134 Ca 0.12 -0.74 -0.14 0.00 1.00 0.00 0.00 64.86 65.10 2eia h ILE 134 Cb 0.56 0.22 -0.01 0.00 -0.74 0.00 0.00 36.82 36.85 2eia h ILE 134 CO 0.03 0.31 -0.24 -0.33 0.00 0.00 0.00 178.15 177.93 2eia h GLU 135 N 1.17 1.00 -0.08 2.37 5.08 -0.02 -1.44 114.58 122.66 2eia h GLU 135 Ca 0.28 -0.44 -0.00 0.00 -1.00 0.00 0.00 59.36 58.20 2eia h GLU 135 Cb 0.14 -0.03 -0.00 0.00 0.50 0.00 0.00 28.75 29.36 2eia h GLU 135 CO -0.03 1.12 0.04 0.00 -1.00 0.00 0.00 179.01 179.14 2eia h ALA 136 N 0.86 0.10 -0.47 3.43 0.00 0.38 -1.03 119.26 122.52 2eia h ALA 136 Ca 0.10 -0.04 0.05 0.00 0.00 0.00 0.00 54.91 55.02 2eia h ALA 136 Cb 0.82 -0.03 -0.05 0.00 0.00 0.00 0.00 17.79 18.54 2eia h ALA 136 CO 0.07 -0.37 0.21 0.52 0.00 0.00 0.00 179.25 179.68 2eia h MET 137 N 0.04 0.40 -0.24 0.00 2.86 -0.92 -0.30 114.93 116.78 2eia h MET 137 Ca 0.03 -0.02 0.05 0.00 -2.06 0.00 0.00 59.70 57.69 2eia h MET 137 Cb 0.06 -0.09 -0.07 0.00 0.06 0.00 0.00 31.60 31.56 2eia h MET 137 CO -0.00 0.27 -0.49 1.03 1.06 0.00 0.00 176.91 178.77 2eia h SER 138 N 0.42 -1.59 -0.73 1.22 0.87 -0.66 0.32 113.55 113.40 2eia h SER 138 Ca 0.21 0.21 0.13 0.00 -1.23 0.00 0.00 61.79 61.11 2eia h SER 138 Cb 0.16 0.65 -0.09 0.00 -0.44 0.00 0.00 62.40 62.68 2eia h SER 138 CO -0.18 -0.43 0.29 -0.33 -0.53 0.00 0.00 176.83 175.65 2eia h GLU 139 N -0.48 0.44 0.07 2.24 4.39 -0.67 0.00 114.58 120.57 2eia h GLU 139 Ca 0.07 -0.03 0.02 0.00 0.34 0.00 0.00 59.36 59.77 2eia h GLU 139 Cb 0.64 -0.10 -0.03 0.00 -0.10 0.00 0.00 28.75 29.16 2eia h GLU 139 CO -0.49 0.29 -0.20 0.78 -1.16 0.00 0.00 179.01 178.23 2eia h GLY 140 N 0.45 -0.34 1.32 -3.84 0.00 0.83 -2.03 103.07 99.46 2eia h GLY 140 Ca 0.40 0.24 0.05 0.00 0.00 0.00 0.00 47.33 48.01 2eia h GLY 140 CO -0.38 -0.19 0.35 -2.22 0.00 0.00 0.00 176.54 174.10 2eia h ILE 141 N -0.36 1.02 -0.16 2.60 2.04 0.59 -0.58 117.51 122.66 2eia h ILE 141 Ca 0.04 -0.19 -0.08 0.00 1.00 0.00 0.00 64.86 65.63 2eia h ILE 141 Cb 0.40 0.43 -0.01 0.00 -0.74 0.00 0.00 36.82 36.90 2eia h ILE 141 CO -0.14 0.10 -0.27 0.11 0.00 0.00 0.00 178.15 177.95 2eia h LYS 142 N 0.54 0.30 -0.10 2.37 1.57 -0.36 -0.86 116.57 120.03 2eia h LYS 142 Ca 0.22 -0.11 -0.05 0.00 -1.87 0.00 0.00 60.65 58.84 2eia h LYS 142 Cb 0.19 -0.02 -0.00 0.00 0.08 0.00 0.00 32.23 32.48 2eia h LYS 142 CO -0.06 0.55 -0.15 0.28 -0.57 0.00 0.00 179.45 179.51 2eia h VAL 143 N 0.27 1.38 -0.00 0.50 2.07 -0.53 -3.02 116.25 116.92 2eia h VAL 143 Ca 0.04 -1.37 0.00 0.00 0.82 0.00 0.00 66.70 66.19 2eia h VAL 143 Cb 0.62 2.04 -0.00 0.00 -1.52 0.00 0.00 31.29 32.43 2eia h VAL 143 CO 0.04 0.39 0.01 0.24 0.02 0.00 0.00 177.57 178.27 2eia h MET 144 N -0.14 0.00 -6.77 1.57 2.86 -0.93 -3.41 114.93 108.11 2eia h MET 144 Ca 0.01 0.00 -0.53 0.00 -2.06 0.00 0.00 59.70 57.12 2eia h MET 144 Cb 0.70 0.00 0.08 0.00 0.06 0.00 0.00 31.60 32.44 2eia h MET 144 CO 0.03 0.00 0.90 0.42 1.06 0.00 0.00 176.91 179.32 2eia s ILE 145 N -4.45 2.13 0.00 -1.22 1.01 -0.36 -1.46 121.20 116.85 2eia s ILE 145 Ca -0.05 0.11 0.00 0.00 0.00 0.00 0.00 60.65 60.71 2eia s ILE 145 Cb 0.14 -3.07 0.00 0.00 0.01 0.00 0.00 42.46 39.54 2eia s ILE 145 CO 0.49 0.02 0.00 0.61 0.00 0.00 0.00 174.94 176.06 2eia n GLY 146 N 2.53 2.81 3.46 6.18 0.00 -1.26 -4.98 105.19 113.92 2eia n GLY 146 Ca 0.10 0.00 -0.47 0.00 0.00 0.00 0.00 46.02 45.65 2eia n GLY 146 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 2eia n LYS 147 N -0.92 0.42 0.00 1.61 4.81 -0.54 -4.77 118.16 118.78 2eia n LYS 147 Ca 0.00 0.15 0.00 0.00 -0.87 0.00 0.00 58.31 57.59 2eia n LYS 147 Cb 0.00 -1.26 0.00 0.00 0.02 0.00 0.00 35.03 33.79 2eia n LYS 147 CO 0.00 0.00 0.00 -2.30 1.17 0.00 0.00 177.40 176.27 2eia n PRO 148 N 0.91 0.00 -2.25 1.64 -0.02 -1.26 -4.73 135.00 129.30 2eia n PRO 148 Ca 0.15 0.14 -0.41 0.00 -2.02 0.00 0.00 63.50 61.36 2eia n PRO 148 Cb 0.27 -1.69 -0.03 0.00 -0.02 0.00 0.00 33.50 32.04 2eia n PRO 148 CO 0.00 0.00 0.00 0.21 1.98 0.00 0.00 175.50 177.69 2eia s LYS 149 N -2.09 3.20 7.76 -0.52 2.20 -1.26 -4.73 119.74 124.31 2eia s LYS 149 Ca 0.00 0.71 0.00 0.00 -0.36 0.00 0.00 55.97 56.32 2eia s LYS 149 Cb 0.00 -4.18 0.00 0.00 -1.51 0.00 0.00 37.83 32.14 2eia s LYS 149 CO 0.00 -2.05 0.00 0.00 -0.36 0.00 0.00 175.35 172.94 2eia n ALA 150 N 10.28 0.00 0.00 3.13 0.00 -1.26 -4.53 120.51 128.12 2eia n ALA 150 Ca 0.16 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.60 2eia n ALA 150 Cb 0.49 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.94 2eia n ALA 150 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2eia n GLN 151 N 12.27 0.00 -0.10 0.00 0.00 -1.26 -0.53 117.38 127.75 2eia n GLN 151 Ca 0.00 0.00 0.11 0.00 0.00 0.00 0.00 57.00 57.11 2eia n GLN 151 Cb 0.00 -1.27 0.33 0.00 0.00 0.00 0.00 30.24 29.31 2eia n GLN 151 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.06 177.15 2eia n ASN 152 N -0.40 2.00 -4.53 2.61 3.02 -1.26 -4.74 115.26 111.95 2eia n ASN 152 Ca 0.00 -1.77 -0.43 0.00 -0.03 0.00 0.00 54.58 52.35 2eia n ASN 152 Cb 0.00 -0.13 -0.05 0.00 -0.61 0.00 0.00 39.78 38.99 2eia n ASN 152 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 2eia s ILE 153 N -1.73 4.57 -0.03 2.41 -1.09 0.31 -5.02 121.20 120.62 2eia s ILE 153 Ca 0.33 0.38 0.01 0.00 -2.23 0.00 0.00 60.65 59.14 2eia s ILE 153 Cb 0.18 -4.39 0.02 0.00 -1.58 0.00 0.00 42.46 36.69 2eia s ILE 153 CO 0.27 -0.84 -0.03 -0.13 -1.23 0.00 0.00 174.94 172.98 2eia s ARG 154 N 3.48 0.61 0.21 2.79 0.52 -1.26 -4.81 118.95 120.49 2eia s ARG 154 Ca 0.30 -0.07 -0.32 0.00 -0.52 0.00 0.00 55.73 55.12 2eia s ARG 154 Cb -0.12 -0.66 -0.13 0.00 0.52 0.00 0.00 34.95 34.56 2eia s ARG 154 CO 0.22 -0.05 1.51 0.94 0.02 0.00 0.00 175.30 177.93 2eia n GLN 155 N 3.85 2.17 -1.72 3.54 7.27 -0.17 -5.00 117.38 127.32 2eia n GLN 155 Ca -0.24 0.78 -0.29 0.00 0.07 0.00 0.00 57.00 57.32 2eia n GLN 155 Cb 0.52 -2.50 0.16 0.00 2.41 0.00 0.00 30.24 30.83 2eia n GLN 155 CO 0.00 0.00 0.00 0.20 0.07 0.00 0.00 177.06 177.33 2eia s GLY 156 N 0.62 1.67 0.11 1.69 0.00 -1.26 -3.96 107.32 106.19 2eia s GLY 156 Ca 0.73 -0.91 -0.19 0.00 0.00 0.00 0.00 44.72 44.35 2eia s GLY 156 CO 0.44 -0.23 1.67 0.00 0.00 0.00 0.00 173.10 174.98 2eia h ALA 157 N -1.63 0.33 -0.95 3.20 0.00 -2.01 -2.72 119.26 115.48 2eia h ALA 157 Ca -0.46 -0.10 -0.65 0.00 0.00 0.00 0.00 54.91 53.70 2eia h ALA 157 Cb 1.28 -0.10 -0.32 0.00 0.00 0.00 0.00 17.79 18.66 2eia h ALA 157 CO 0.48 -0.10 0.56 1.63 0.00 0.00 0.00 179.25 181.83 2eia n LYS 158 N -4.81 2.85 -3.44 0.00 4.01 -1.26 -4.95 118.16 110.57 2eia n LYS 158 Ca -0.03 -3.45 -0.43 0.00 -0.51 0.00 0.00 58.31 53.90 2eia n LYS 158 Cb 0.11 -2.29 -0.10 0.00 -0.51 0.00 0.00 35.03 32.25 2eia n LYS 158 CO 0.00 0.00 0.00 -2.00 -1.11 0.00 0.00 177.40 174.29 2eia s GLU 159 N -3.78 3.09 -0.09 1.97 2.56 -1.03 -5.03 118.70 116.38 2eia s GLU 159 Ca 0.62 -0.89 -0.29 0.00 0.00 0.00 0.00 54.97 54.41 2eia s GLU 159 Cb 0.49 -3.95 -0.07 0.00 2.00 0.00 0.00 34.13 32.60 2eia s GLU 159 CO 0.00 -0.73 2.09 -2.30 -0.56 0.00 0.00 175.26 173.77 2eia n PRO 160 N 5.26 2.40 -0.30 4.30 -0.02 -1.26 -4.74 135.00 140.64 2eia n PRO 160 Ca -0.10 0.79 0.03 0.00 -2.02 0.00 0.00 63.50 62.20 2eia n PRO 160 Cb 0.47 -3.10 0.08 0.00 -0.02 0.00 0.00 33.50 30.94 2eia n PRO 160 CO 0.00 0.00 0.00 0.98 1.98 0.00 0.00 175.50 178.46 2eia n TYR 161 N 9.48 0.19 -0.33 6.00 9.36 -1.26 0.45 117.16 141.05 2eia n TYR 161 Ca 0.25 0.99 0.07 0.00 3.32 0.00 0.00 57.90 62.53 2eia n TYR 161 Cb 0.42 -0.91 0.23 0.00 -0.63 0.00 0.00 39.34 38.45 2eia n TYR 161 CO 0.00 0.00 0.00 -1.35 0.22 0.00 0.00 176.86 175.73 2eia h PRO 162 N 0.00 0.82 -0.01 2.98 0.11 -1.91 -0.49 132.00 133.50 2eia h PRO 162 Ca 0.35 -0.05 -0.14 0.00 0.11 0.00 0.00 66.00 66.26 2eia h PRO 162 Cb 0.55 -0.19 -0.02 0.00 0.11 0.00 0.00 31.00 31.46 2eia h PRO 162 CO -0.82 0.54 -0.66 0.93 -0.21 0.00 0.00 178.00 177.78 2eia h GLU 163 N 0.85 0.06 -0.00 1.05 5.08 -0.36 -1.82 114.58 119.43 2eia h GLU 163 Ca 0.48 -0.05 -0.00 0.00 -1.00 0.00 0.00 59.36 58.79 2eia h GLU 163 Cb 0.54 0.01 -0.00 0.00 0.50 0.00 0.00 28.75 29.79 2eia h GLU 163 CO -0.29 0.70 0.00 0.35 -1.00 0.00 0.00 179.01 178.77 2eia h PHE 164 N 0.04 0.00 -0.67 4.33 3.57 -0.32 -1.53 116.94 122.37 2eia h PHE 164 Ca -0.01 -0.00 0.07 0.00 3.53 0.00 0.00 57.97 61.56 2eia h PHE 164 Cb 1.18 -0.00 -0.04 0.00 2.79 0.00 0.00 35.95 39.87 2eia h PHE 164 CO 0.01 0.18 0.44 0.28 -2.23 0.00 0.00 178.31 176.99 2eia h VAL 165 N -0.18 1.00 -0.37 1.41 2.07 -1.06 0.24 116.25 119.37 2eia h VAL 165 Ca 0.00 -0.23 -0.07 0.00 0.82 0.00 0.00 66.70 67.23 2eia h VAL 165 Cb 0.18 0.28 -0.01 0.00 -1.52 0.00 0.00 31.29 30.22 2eia h VAL 165 CO -0.00 0.12 -0.02 -0.78 0.02 0.00 0.00 177.57 176.91 2eia h ASP 166 N 0.66 0.66 -0.47 0.57 1.82 -0.94 0.12 116.42 118.84 2eia h ASP 166 Ca 0.29 -0.32 -0.11 0.00 -0.39 0.00 0.00 57.03 56.49 2eia h ASP 166 Cb 0.28 -0.18 -0.01 0.00 0.68 0.00 0.00 39.33 40.10 2eia h ASP 166 CO -0.09 0.83 -0.15 0.03 -1.61 0.00 0.00 179.24 178.24 2eia h ARG 167 N 0.48 0.93 0.22 0.28 3.08 -0.44 -1.81 114.38 117.11 2eia h ARG 167 Ca 0.10 -0.37 -0.01 0.00 0.07 0.00 0.00 59.98 59.77 2eia h ARG 167 Cb 0.50 -0.04 0.00 0.00 0.08 0.00 0.00 29.97 30.51 2eia h ARG 167 CO 0.02 1.03 -0.10 1.25 -1.07 0.00 0.00 179.97 181.10 2eia h LEU 168 N 0.77 -0.25 -0.98 3.04 5.85 -0.87 -2.12 115.31 120.75 2eia h LEU 168 Ca 0.11 0.01 0.28 0.00 0.84 0.00 0.00 57.88 59.12 2eia h LEU 168 Cb 0.71 0.06 -0.14 0.00 0.37 0.00 0.00 40.66 41.67 2eia h LEU 168 CO 0.05 -0.15 0.52 -0.07 -0.34 0.00 0.00 178.44 178.45 2eia h LEU 169 N -0.34 0.49 -0.67 2.25 3.38 -0.86 0.46 115.31 120.02 2eia h LEU 169 Ca -0.03 0.17 0.02 0.00 0.09 0.00 0.00 57.88 58.14 2eia h LEU 169 Cb 0.22 0.12 -0.04 0.00 0.09 0.00 0.00 40.66 41.05 2eia h LEU 169 CO 0.05 -0.05 0.42 -1.28 0.09 0.00 0.00 178.44 177.67 2eia h SER 170 N 0.40 0.70 0.63 -0.43 0.87 -1.27 0.12 113.55 114.56 2eia h SER 170 Ca 0.67 -0.00 -0.03 0.00 -1.23 0.00 0.00 61.79 61.20 2eia h SER 170 Cb 1.41 -0.15 0.01 0.00 -0.44 0.00 0.00 62.40 63.22 2eia h SER 170 CO -0.56 0.49 -0.30 -0.61 -0.53 0.00 0.00 176.83 175.31 2eia h GLN 171 N 0.83 -0.81 -0.92 2.24 -0.00 0.60 -1.03 115.11 116.02 2eia h GLN 171 Ca 0.26 0.06 0.20 0.00 -0.00 0.00 0.00 58.65 59.17 2eia h GLN 171 Cb -0.00 0.18 -0.07 0.00 0.00 0.00 0.00 27.48 27.59 2eia h GLN 171 CO -0.10 -0.54 0.60 0.97 0.00 0.00 0.00 178.83 179.77 2eia h ILE 172 N -0.96 0.68 -0.50 2.39 2.10 -1.36 0.19 117.51 120.05 2eia h ILE 172 Ca -0.09 -0.16 0.00 0.00 1.08 0.00 0.00 64.86 65.70 2eia h ILE 172 Cb 0.64 0.18 -0.02 0.00 -1.09 0.00 0.00 36.82 36.53 2eia h ILE 172 CO 0.14 0.08 0.31 0.50 -1.08 0.00 0.00 178.15 178.11 2eia h LYS 173 N 0.46 0.67 0.00 2.19 1.63 -0.60 -2.26 116.57 118.66 2eia h LYS 173 Ca 0.49 -0.05 0.00 0.00 -0.85 0.00 0.00 60.65 60.24 2eia h LYS 173 Cb 1.14 -0.14 0.00 0.00 -0.60 0.00 0.00 32.23 32.63 2eia h LYS 173 CO -0.21 0.47 0.00 -1.13 -3.45 0.00 0.00 179.45 175.13 2eia n SER 174 N -4.71 0.77 0.00 4.20 3.41 0.57 -2.79 113.62 115.06 2eia n SER 174 Ca 0.02 0.64 0.13 0.00 -0.26 0.00 0.00 58.87 59.40 2eia n SER 174 Cb 0.04 -0.82 0.74 0.00 -0.26 0.00 0.00 64.21 63.91 2eia n SER 174 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 2eia n GLU 175 N -2.29 0.57 -3.86 4.33 1.02 -0.59 -4.92 120.64 114.90 2eia n GLU 175 Ca 0.03 0.02 -0.25 0.00 -0.02 0.00 0.00 57.16 56.94 2eia n GLU 175 Cb 0.32 -1.50 -0.00 0.00 -0.02 0.00 0.00 31.44 30.24 2eia n GLU 175 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2eia n GLY 176 N 0.89 -0.35 3.82 0.62 0.00 -1.12 -4.96 105.19 104.09 2eia n GLY 176 Ca 0.16 0.19 -0.35 0.00 0.00 0.00 0.00 46.02 46.01 2eia n GLY 176 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2eia s HIS 177 N -3.83 3.60 0.28 1.61 3.76 -1.26 -5.01 115.29 114.44 2eia s HIS 177 Ca 0.07 1.41 -0.30 0.00 -0.15 0.00 0.00 55.06 56.09 2eia s HIS 177 Cb -0.03 -2.65 -0.12 0.00 1.11 0.00 0.00 32.58 30.90 2eia s HIS 177 CO 0.87 0.27 1.59 -0.35 -0.85 0.00 0.00 174.74 176.26 2eia n PRO 178 N 0.47 2.65 0.00 8.40 -0.04 -1.26 -4.47 135.00 140.76 2eia n PRO 178 Ca -0.01 0.94 0.00 0.00 -0.04 0.00 0.00 63.50 64.40 2eia n PRO 178 Cb 0.51 -2.72 0.00 0.00 -0.04 0.00 0.00 33.50 31.25 2eia n PRO 178 CO 0.00 0.00 0.00 0.94 -0.04 0.00 0.00 175.50 176.40 2eia n GLN 179 N 2.26 0.00 -0.02 0.54 7.27 -1.26 -0.97 117.38 125.20 2eia n GLN 179 Ca 0.09 0.00 -0.06 0.00 0.07 0.00 0.00 57.00 57.10 2eia n GLN 179 Cb 0.36 0.00 -0.04 0.00 2.41 0.00 0.00 30.24 32.97 2eia n GLN 179 CO 0.00 0.00 0.00 0.93 0.07 0.00 0.00 177.06 178.06 2eia h GLU 180 N 0.00 -0.23 -0.02 3.69 4.39 -2.00 -0.09 114.58 120.31 2eia h GLU 180 Ca 0.00 0.02 -0.03 0.00 0.34 0.00 0.00 59.36 59.69 2eia h GLU 180 Cb 0.00 0.05 -0.00 0.00 -0.10 0.00 0.00 28.75 28.70 2eia h GLU 180 CO 0.00 -0.15 -0.11 0.97 -1.16 0.00 0.00 179.01 178.55 2eia h ILE 181 N -0.24 1.10 0.26 3.13 2.10 -1.40 -2.03 117.51 120.43 2eia h ILE 181 Ca 0.02 -0.45 -0.01 0.00 1.08 0.00 0.00 64.86 65.50 2eia h ILE 181 Cb 0.29 1.21 -0.01 0.00 -1.09 0.00 0.00 36.82 37.22 2eia h ILE 181 CO -0.20 0.13 -0.17 -1.28 -1.08 0.00 0.00 178.15 175.54 2eia h SER 182 N 0.03 -0.44 -0.24 2.19 0.87 -0.45 -0.82 113.55 114.69 2eia h SER 182 Ca 0.01 0.03 0.03 0.00 -1.23 0.00 0.00 61.79 60.63 2eia h SER 182 Cb 0.23 0.14 -0.03 0.00 -0.44 0.00 0.00 62.40 62.29 2eia h SER 182 CO 0.02 -0.28 0.07 0.50 -0.53 0.00 0.00 176.83 176.61 2eia h LYS 183 N -0.43 0.17 -0.52 2.24 3.64 -0.63 -2.14 116.57 118.90 2eia h LYS 183 Ca -0.02 -0.01 0.10 0.00 -1.27 0.00 0.00 60.65 59.45 2eia h LYS 183 Cb 0.37 -0.04 -0.08 0.00 -0.41 0.00 0.00 32.23 32.06 2eia h LYS 183 CO 0.01 0.11 0.02 0.35 -2.27 0.00 0.00 179.45 177.67 2eia h PHE 184 N 0.17 0.01 -0.70 1.91 3.57 -1.10 0.17 116.94 120.97 2eia h PHE 184 Ca 0.11 0.04 -0.01 0.00 3.53 0.00 0.00 57.97 61.64 2eia h PHE 184 Cb 0.09 0.08 -0.03 0.00 2.79 0.00 0.00 35.95 38.88 2eia h PHE 184 CO -0.14 -0.10 0.41 -0.07 -2.23 0.00 0.00 178.31 176.18 2eia h LEU 185 N 0.14 0.84 0.52 0.59 3.38 -0.90 -0.45 115.31 119.42 2eia h LEU 185 Ca 0.27 -0.07 -0.03 0.00 0.09 0.00 0.00 57.88 58.14 2eia h LEU 185 Cb 0.40 -0.21 0.01 0.00 0.09 0.00 0.00 40.66 40.94 2eia h LEU 185 CO -0.42 0.66 -0.25 0.74 0.09 0.00 0.00 178.44 179.26 2eia h THR 186 N 0.95 0.49 0.16 0.22 2.02 -0.48 0.15 112.91 116.42 2eia h THR 186 Ca 0.25 -0.05 0.01 0.00 0.77 0.00 0.00 66.41 67.39 2eia h THR 186 Cb -0.02 0.51 -0.03 0.00 -1.74 0.00 0.00 68.15 66.87 2eia h THR 186 CO -0.05 0.01 -0.24 0.44 0.37 0.00 0.00 175.52 176.05 2eia h ASP 187 N -0.73 -0.67 0.37 4.18 3.32 -0.61 -2.22 116.42 120.07 2eia h ASP 187 Ca -0.07 0.07 -0.02 0.00 0.02 0.00 0.00 57.03 57.03 2eia h ASP 187 Cb 0.55 0.24 0.00 0.00 0.22 0.00 0.00 39.33 40.35 2eia h ASP 187 CO 0.12 -0.34 -0.20 0.74 -1.72 0.00 0.00 179.24 177.84 2eia h THR 188 N -0.47 0.00 -0.73 0.35 2.02 -1.06 -3.31 112.91 109.71 2eia h THR 188 Ca 0.02 0.00 0.10 0.00 0.77 0.00 0.00 66.41 67.30 2eia h THR 188 Cb 0.47 0.00 -0.05 0.00 -1.74 0.00 0.00 68.15 66.83 2eia h THR 188 CO -0.10 0.00 0.48 -0.07 0.37 0.00 0.00 175.52 176.20 2eia h LEU 189 N -0.52 0.54 -2.18 2.58 3.38 -0.77 -2.66 115.31 115.68 2eia h LEU 189 Ca -0.05 0.02 0.05 0.00 0.09 0.00 0.00 57.88 57.98 2eia h LEU 189 Cb 0.41 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 41.06 2eia h LEU 189 CO 0.07 0.32 0.28 0.71 0.09 0.00 0.00 178.44 179.91 2eia h THR 190 N 0.60 0.27 0.00 0.22 1.35 -1.48 -1.57 112.91 112.29 2eia h THR 190 Ca 0.34 0.00 -0.21 0.00 -0.55 0.00 0.00 66.41 65.99 2eia h THR 190 Cb 0.53 0.76 -0.04 0.00 -1.73 0.00 0.00 68.15 67.67 2eia h THR 190 CO -0.12 0.00 -1.81 2.30 -0.25 0.00 0.00 175.52 175.64 2eia n ILE 191 N -3.45 0.81 0.14 6.82 -5.35 -1.02 -4.35 119.36 112.96 2eia n ILE 191 Ca 0.02 -0.44 0.01 0.00 -0.27 0.00 0.00 62.75 62.07 2eia n ILE 191 Cb 0.39 -0.80 0.09 0.00 -1.74 0.00 0.00 39.64 37.58 2eia n ILE 191 CO 0.00 0.00 0.00 1.56 -1.76 0.00 0.00 176.55 176.35 2eia h GLN 192 N 0.00 0.00 -0.61 6.28 4.20 -1.30 -3.20 115.11 120.48 2eia h GLN 192 Ca -0.32 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.39 2eia h GLN 192 Cb 1.65 0.00 0.00 0.00 0.30 0.00 0.00 27.48 29.43 2eia h GLN 192 CO -0.00 0.56 0.00 0.09 -0.67 0.00 0.00 178.83 178.81 2eia n ASN 193 N -3.36 3.64 -4.83 1.46 4.13 -0.61 -4.93 115.26 110.77 2eia n ASN 193 Ca 0.01 -1.99 -0.33 0.00 1.68 0.00 0.00 54.58 53.95 2eia n ASN 193 Cb 0.71 -0.41 -0.06 0.00 -1.54 0.00 0.00 39.78 38.48 2eia n ASN 193 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 2eia s ALA 194 N -1.19 3.09 1.14 5.41 0.00 -1.21 -1.00 121.76 128.01 2eia s ALA 194 Ca 0.45 0.26 -0.15 0.00 0.00 0.00 0.00 51.96 52.53 2eia s ALA 194 Cb 0.24 -3.08 0.21 0.00 0.00 0.00 0.00 23.12 20.49 2eia s ALA 194 CO 0.32 0.03 0.66 0.27 0.00 0.00 0.00 175.76 177.05 2eia n ASN 195 N -0.93 -1.86 -0.09 0.00 0.23 -1.25 -4.51 115.26 106.84 2eia n ASN 195 Ca 0.06 -0.10 -0.09 0.00 -0.53 0.00 0.00 54.58 53.93 2eia n ASN 195 Cb 0.54 -1.17 -0.01 0.00 -2.08 0.00 0.00 39.78 37.06 2eia n ASN 195 CO 0.00 0.00 0.00 -0.08 -0.93 0.00 0.00 177.26 176.25 2eia h GLU 196 N -2.40 0.41 -0.85 -3.83 4.57 -1.94 0.50 114.58 111.05 2eia h GLU 196 Ca -0.57 -0.02 0.07 0.00 -1.18 0.00 0.00 59.36 57.65 2eia h GLU 196 Cb 1.34 -0.09 -0.07 0.00 -0.16 0.00 0.00 28.75 29.77 2eia h GLU 196 CO 0.44 0.27 0.52 1.49 -1.18 0.00 0.00 179.01 180.55 2eia h GLU 197 N 0.42 0.89 0.01 1.92 4.81 -1.97 -2.18 114.58 118.48 2eia h GLU 197 Ca 0.12 -0.05 -0.22 0.00 -0.13 0.00 0.00 59.36 59.07 2eia h GLU 197 Cb -0.04 -0.20 -0.03 0.00 0.63 0.00 0.00 28.75 29.11 2eia h GLU 197 CO -0.03 0.59 -1.07 0.00 -0.73 0.00 0.00 179.01 177.77 2eia n ARG 199 N -3.34 0.87 -0.09 0.00 1.85 0.15 -2.46 116.66 113.65 2eia n ARG 199 Ca -0.02 0.00 -0.11 0.00 -1.00 0.00 0.00 57.85 56.73 2eia n ARG 199 Cb 0.95 -1.48 -0.10 0.00 -1.05 0.00 0.00 32.46 30.78 2eia n ARG 199 CO 0.00 0.00 0.00 -1.71 -0.01 0.00 0.00 177.63 175.91 2eia n ASN 200 N -0.98 1.98 0.00 2.89 2.85 -0.86 -4.01 115.26 117.13 2eia n ASN 200 Ca 0.20 -0.06 0.08 0.00 -0.11 0.00 0.00 54.58 54.70 2eia n ASN 200 Cb 0.09 0.23 0.43 0.00 1.24 0.00 0.00 39.78 41.77 2eia n ASN 200 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 2eia n ALA 201 N -2.83 1.95 -0.00 5.20 0.00 -1.03 -1.74 120.51 122.06 2eia n ALA 201 Ca -0.29 -0.08 0.01 0.00 0.00 0.00 0.00 53.44 53.07 2eia n ALA 201 Cb 0.92 -1.27 0.02 0.00 0.00 0.00 0.00 19.45 19.12 2eia n ALA 201 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.50 176.17 2eia n MET 202 N -1.24 1.98 0.06 0.00 2.81 -1.14 -4.71 117.12 114.88 2eia n MET 202 Ca 0.09 -1.34 0.03 0.00 -1.81 0.00 0.00 57.70 54.66 2eia n MET 202 Cb 0.12 -1.05 0.15 0.00 -0.71 0.00 0.00 33.22 31.73 2eia n MET 202 CO 0.00 0.00 0.00 -2.13 1.51 0.00 0.00 175.97 175.35 2eia n ARG 203 N -0.18 0.04 0.00 0.03 0.63 -0.71 0.11 116.66 116.57 2eia n ARG 203 Ca 0.02 0.41 0.09 0.00 -0.92 0.00 0.00 57.85 57.45 2eia n ARG 203 Cb 0.22 -1.85 -0.05 0.00 0.45 0.00 0.00 32.46 31.24 2eia n ARG 203 CO 0.00 0.00 0.00 0.72 -2.51 0.00 0.00 177.63 175.84 2eia n HIS 204 N -1.61 0.00 -3.29 -0.14 8.25 -1.26 -4.97 115.22 112.20 2eia n HIS 204 Ca -0.00 0.00 -0.23 0.00 -0.26 0.00 0.00 57.72 57.23 2eia n HIS 204 Cb 0.24 0.00 -0.00 0.00 1.12 0.00 0.00 29.99 31.34 2eia n HIS 204 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 2eia s LEU 205 N -2.52 3.89 0.21 2.41 1.43 0.29 -5.12 118.68 119.27 2eia s LEU 205 Ca 0.12 0.26 0.09 0.00 -1.03 0.00 0.00 54.13 53.57 2eia s LEU 205 Cb 0.15 -3.14 -0.05 0.00 0.03 0.00 0.00 46.19 43.18 2eia s LEU 205 CO 0.60 -0.45 -0.17 -0.13 0.23 0.00 0.00 176.35 176.43 2eia s ARG 206 N -4.36 1.39 0.44 1.70 0.52 -1.26 -5.02 118.95 112.35 2eia s ARG 206 Ca 0.43 -1.58 0.23 0.00 -0.52 0.00 0.00 55.73 54.29 2eia s ARG 206 Cb -0.10 -1.32 1.21 0.00 0.52 0.00 0.00 34.95 35.27 2eia s ARG 206 CO 0.35 0.24 1.80 -1.35 0.02 0.00 0.00 175.30 176.37 2eia h PRO 207 N 2.68 0.28 -0.04 3.54 0.11 -1.93 0.24 132.00 136.88 2eia h PRO 207 Ca -0.40 -0.02 -0.10 0.00 0.11 0.00 0.00 66.00 65.60 2eia h PRO 207 Cb 1.22 -0.06 -0.01 0.00 0.11 0.00 0.00 31.00 32.26 2eia h PRO 207 CO 0.59 0.19 -0.45 0.93 -0.21 0.00 0.00 178.00 179.04 2eia h GLU 208 N 0.29 0.08 -6.55 1.05 3.07 -1.96 -3.41 114.58 107.15 2eia h GLU 208 Ca 0.55 -0.04 -0.55 0.00 -0.50 0.00 0.00 59.36 58.81 2eia h GLU 208 Cb 1.59 0.00 0.20 0.00 -0.84 0.00 0.00 28.75 29.70 2eia h GLU 208 CO -0.20 0.52 -0.71 -0.25 -1.40 0.00 0.00 179.01 176.97 2eia n ASP 209 N -3.99 -2.33 -4.71 1.42 10.43 0.83 -4.91 116.55 113.28 2eia n ASP 209 Ca -0.02 0.46 -0.33 0.00 2.57 0.00 0.00 54.79 57.47 2eia n ASP 209 Cb 0.49 -1.12 0.11 0.00 1.84 0.00 0.00 41.12 42.44 2eia n ASP 209 CO 0.00 0.00 0.00 0.42 -1.07 0.00 0.00 177.20 176.55 2eia s THR 210 N -2.07 2.30 0.28 -3.53 -4.23 -1.26 -4.90 115.64 102.23 2eia s THR 210 Ca 0.59 0.13 0.05 0.00 -1.18 0.00 0.00 61.69 61.27 2eia s THR 210 Cb -0.29 -2.56 0.04 0.00 1.34 0.00 0.00 72.50 71.03 2eia s THR 210 CO 0.65 -0.09 1.70 0.25 -0.54 0.00 0.00 174.62 176.58 2eia h LEU 211 N -0.76 0.35 -0.62 4.79 5.85 -1.95 -2.55 115.31 120.42 2eia h LEU 211 Ca -0.46 -0.14 -0.06 0.00 0.84 0.00 0.00 57.88 58.06 2eia h LEU 211 Cb 1.29 -0.10 -0.03 0.00 0.37 0.00 0.00 40.66 42.19 2eia h LEU 211 CO 0.48 0.69 0.16 -0.33 -0.34 0.00 0.00 178.44 179.10 2eia h GLU 212 N 0.29 0.98 0.09 1.25 3.07 -1.98 0.13 114.58 118.41 2eia h GLU 212 Ca 0.03 -0.23 0.00 0.00 -0.50 0.00 0.00 59.36 58.66 2eia h GLU 212 Cb 0.78 -0.13 -0.01 0.00 -0.84 0.00 0.00 28.75 28.55 2eia h GLU 212 CO 0.06 0.89 -0.09 0.93 -1.40 0.00 0.00 179.01 179.40 2eia h GLU 213 N 0.90 -0.19 0.37 2.33 4.39 -1.86 0.43 114.58 120.95 2eia h GLU 213 Ca 0.19 0.01 -0.02 0.00 0.34 0.00 0.00 59.36 59.89 2eia h GLU 213 Cb 0.34 0.04 0.00 0.00 -0.10 0.00 0.00 28.75 29.04 2eia h GLU 213 CO 0.00 -0.13 -0.18 0.87 -1.16 0.00 0.00 179.01 178.42 2eia h LYS 214 N -0.20 -0.48 -0.71 2.33 1.57 -1.30 0.10 116.57 117.89 2eia h LYS 214 Ca 0.01 0.03 0.07 0.00 -1.87 0.00 0.00 60.65 58.89 2eia h LYS 214 Cb 0.20 0.11 -0.06 0.00 0.08 0.00 0.00 32.23 32.55 2eia h LYS 214 CO -0.03 -0.30 0.39 0.52 -0.57 0.00 0.00 179.45 179.45 2eia h MET 215 N -0.51 0.67 -0.54 3.15 2.86 -0.63 -1.66 114.93 118.26 2eia h MET 215 Ca -0.05 -0.04 -0.01 0.00 -2.06 0.00 0.00 59.70 57.54 2eia h MET 215 Cb 0.39 -0.15 -0.03 0.00 0.06 0.00 0.00 31.60 31.87 2eia h MET 215 CO 0.08 0.44 0.30 -0.92 1.06 0.00 0.00 176.91 177.88 2eia h TYR 216 N 0.69 0.72 -0.37 -0.22 3.20 0.22 -2.75 116.97 118.47 2eia h TYR 216 Ca 0.33 -0.00 -0.03 0.00 3.14 0.00 0.00 58.73 62.16 2eia h TYR 216 Cb 0.26 -0.24 -0.02 0.00 1.54 0.00 0.00 36.73 38.28 2eia h TYR 216 CO -0.08 0.50 0.10 0.00 -1.64 0.00 0.00 178.16 177.04 2eia h ALA 217 N 1.58 0.48 -0.73 1.82 0.00 -0.01 -2.63 119.26 119.77 2eia h ALA 217 Ca 0.19 -0.17 -0.44 0.00 0.00 0.00 0.00 54.91 54.49 2eia h ALA 217 Cb 0.01 -0.14 -0.22 0.00 0.00 0.00 0.00 17.79 17.44 2eia h ALA 217 CO -0.03 0.14 0.57 0.00 0.00 0.00 0.00 179.25 179.92 2eia n ARG 219 N -0.45 0.00 -0.21 0.00 0.63 -0.99 -3.88 116.66 111.75 2eia n ARG 219 Ca 0.45 0.34 -0.08 0.00 -0.92 0.00 0.00 57.85 57.63 2eia n ARG 219 Cb 0.94 -1.14 0.02 0.00 0.45 0.00 0.00 32.46 32.74 2eia n ARG 219 CO 0.00 0.00 0.00 -0.44 -2.51 0.00 0.00 177.63 174.68 2eia h ASP 220 N 0.00 0.93 0.00 6.15 3.32 -1.85 -3.44 116.42 121.53 2eia h ASP 220 Ca 0.00 -0.25 -0.08 0.00 0.02 0.00 0.00 57.03 56.72 2eia h ASP 220 Cb 0.00 -0.25 -0.01 0.00 0.22 0.00 0.00 39.33 39.29 2eia h ASP 220 CO 0.00 0.95 0.29 -0.38 -1.72 0.00 0.00 179.24 178.37 2eia n ILE 221 N -4.32 0.00 0.00 0.35 2.08 -1.25 -5.15 119.36 111.07 2eia n ILE 221 Ca 0.03 -0.00 0.00 0.00 0.56 0.00 0.00 62.75 63.34 2eia n ILE 221 Cb 0.27 -0.08 0.00 0.00 -0.75 0.00 0.00 39.64 39.08 2eia n ILE 221 CO 0.00 0.00 0.00 0.61 0.56 0.00 0.00 176.55 177.72