#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2vya n ARG 34 N 0.00 1.28 0.12 1.61 0.63 -1.26 -5.00 116.66 114.03 2vya n ARG 34 Ca 0.00 -1.99 -0.24 0.00 -0.92 0.00 0.00 57.85 54.70 2vya n ARG 34 Cb 0.00 -0.26 -0.15 0.00 0.45 0.00 0.00 32.46 32.50 2vya n ARG 34 CO 0.00 0.00 0.00 0.37 -2.51 0.00 0.00 177.63 175.49 2vya h GLN 35 N 1.43 0.47 -0.88 -0.14 4.15 -2.00 -2.42 115.11 115.73 2vya h GLN 35 Ca -0.35 -0.81 0.12 0.00 0.77 0.00 0.00 58.65 58.38 2vya h GLN 35 Cb 1.34 0.30 -0.08 0.00 0.21 0.00 0.00 27.48 29.25 2vya h GLN 35 CO -0.06 1.38 0.51 -0.22 -1.93 0.00 0.00 178.83 178.51 2vya h LYS 36 N 0.13 0.77 -0.40 1.69 3.64 -1.95 0.10 116.57 120.55 2vya h LYS 36 Ca -0.29 -0.05 -0.10 0.00 -1.27 0.00 0.00 60.65 58.94 2vya h LYS 36 Cb 2.14 -0.17 -0.01 0.00 -0.41 0.00 0.00 32.23 33.77 2vya h LYS 36 CO 0.24 0.51 -0.15 0.00 -2.27 0.00 0.00 179.45 177.78 2vya h ALA 37 N 1.51 0.56 -0.48 5.00 0.00 -1.74 -0.30 119.26 123.80 2vya h ALA 37 Ca 0.45 -0.34 -0.10 0.00 0.00 0.00 0.00 54.91 54.91 2vya h ALA 37 Cb 0.50 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.13 2vya h ALA 37 CO -0.29 0.47 -0.10 0.00 0.00 0.00 0.00 179.25 179.33 2vya h ARG 38 N 0.61 0.88 -0.29 0.00 3.08 -1.22 -1.34 114.38 116.11 2vya h ARG 38 Ca 0.09 -0.30 0.06 0.00 0.07 0.00 0.00 59.98 59.90 2vya h ARG 38 Cb 0.69 -0.07 -0.05 0.00 0.08 0.00 0.00 29.97 30.62 2vya h ARG 38 CO 0.05 0.94 -0.07 0.78 -1.07 0.00 0.00 179.97 180.59 2vya h GLY 39 N 0.97 0.20 0.32 0.04 0.00 -0.82 -1.91 103.07 101.86 2vya h GLY 39 Ca 0.13 0.10 0.05 0.00 0.00 0.00 0.00 47.33 47.61 2vya h GLY 39 CO 0.04 -0.11 -0.19 0.00 0.00 0.00 0.00 176.54 176.28 2vya h ALA 40 N 1.28 -0.10 -0.93 3.60 0.00 -0.62 -2.47 119.26 120.02 2vya h ALA 40 Ca 0.14 0.06 0.06 0.00 0.00 0.00 0.00 54.91 55.17 2vya h ALA 40 Cb 0.21 0.40 -0.06 0.00 0.00 0.00 0.00 17.79 18.34 2vya h ALA 40 CO -0.30 -0.63 0.60 0.00 0.00 0.00 0.00 179.25 178.92 2vya h ALA 41 N 0.83 1.27 -0.61 0.00 0.00 -1.06 0.15 119.26 119.86 2vya h ALA 41 Ca 0.12 -0.02 -0.06 0.00 0.00 0.00 0.00 54.91 54.95 2vya h ALA 41 Cb 0.39 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 17.87 2vya h ALA 41 CO -0.31 0.39 0.16 1.15 0.00 0.00 0.00 179.25 180.64 2vya h THR 42 N 1.10 1.25 0.32 0.00 2.02 -0.96 -1.54 112.91 115.10 2vya h THR 42 Ca 0.40 -0.89 -0.02 0.00 0.77 0.00 0.00 66.41 66.67 2vya h THR 42 Cb 0.12 0.67 0.00 0.00 -1.74 0.00 0.00 68.15 67.21 2vya h THR 42 CO -0.16 0.34 -0.15 0.03 0.37 0.00 0.00 175.52 175.94 2vya h ARG 43 N 0.88 -0.41 -0.78 6.66 3.08 -1.01 -1.62 114.38 121.18 2vya h ARG 43 Ca 0.19 0.03 0.18 0.00 0.07 0.00 0.00 59.98 60.45 2vya h ARG 43 Cb 0.34 0.09 -0.13 0.00 0.08 0.00 0.00 29.97 30.35 2vya h ARG 43 CO 0.00 -0.11 0.03 0.00 -1.07 0.00 0.00 179.97 178.81 2vya h ALA 44 N -0.14 0.84 -0.20 0.04 0.00 -0.96 0.16 119.26 119.00 2vya h ALA 44 Ca -0.04 0.24 -0.06 0.00 0.00 0.00 0.00 54.91 55.05 2vya h ALA 44 Cb 0.49 0.42 -0.00 0.00 0.00 0.00 0.00 17.79 18.69 2vya h ALA 44 CO 0.07 -0.43 -0.13 0.00 0.00 0.00 0.00 179.25 178.77 2vya h ARG 45 N 0.11 0.44 -0.71 0.00 3.08 -1.26 -0.72 114.38 115.31 2vya h ARG 45 Ca 0.43 -0.20 -0.04 0.00 0.07 0.00 0.00 59.98 60.24 2vya h ARG 45 Cb 0.78 -0.01 -0.03 0.00 0.08 0.00 0.00 29.97 30.79 2vya h ARG 45 CO -0.68 0.75 0.28 -0.56 -1.07 0.00 0.00 179.97 178.69 2vya h GLN 46 N 0.12 1.06 -0.09 0.04 3.07 -0.66 -0.79 115.11 117.86 2vya h GLN 46 Ca 0.04 -0.19 0.01 0.00 0.09 0.00 0.00 58.65 58.61 2vya h GLN 46 Cb 0.63 -0.18 -0.01 0.00 0.08 0.00 0.00 27.48 28.01 2vya h GLN 46 CO 0.04 0.87 0.00 0.87 0.09 0.00 0.00 178.83 180.70 2vya h LYS 47 N 1.04 0.04 -0.30 0.06 1.57 -0.59 -1.65 116.57 116.73 2vya h LYS 47 Ca 0.24 -0.00 0.02 0.00 -1.87 0.00 0.00 60.65 59.03 2vya h LYS 47 Cb 0.21 -0.01 -0.02 0.00 0.08 0.00 0.00 32.23 32.49 2vya h LYS 47 CO -0.02 0.02 0.16 0.37 -0.57 0.00 0.00 179.45 179.41 2vya h GLN 48 N 0.04 0.32 -0.78 3.15 4.15 -0.65 0.99 115.11 122.33 2vya h GLN 48 Ca 0.04 -0.02 0.06 0.00 0.77 0.00 0.00 58.65 59.50 2vya h GLN 48 Cb 0.04 -0.07 -0.06 0.00 0.21 0.00 0.00 27.48 27.61 2vya h GLN 48 CO -0.07 0.21 0.47 -0.09 -1.93 0.00 0.00 178.83 177.42 2vya h ARG 49 N 0.33 0.84 -0.16 1.69 2.43 -1.12 0.37 114.38 118.76 2vya h ARG 49 Ca 0.12 -0.05 -0.05 0.00 -0.81 0.00 0.00 59.98 59.19 2vya h ARG 49 Cb 0.03 -0.19 -0.00 0.00 -0.42 0.00 0.00 29.97 29.38 2vya h ARG 49 CO -0.07 0.56 -0.10 0.00 -1.51 0.00 0.00 179.97 178.84 2vya h ALA 50 N 1.37 0.22 -0.27 2.80 0.00 -0.51 -0.88 119.26 121.99 2vya h ALA 50 Ca 0.34 -0.29 0.06 0.00 0.00 0.00 0.00 54.91 55.02 2vya h ALA 50 Cb 0.15 -0.05 -0.08 0.00 0.00 0.00 0.00 17.79 17.81 2vya h ALA 50 CO -0.17 0.05 -0.39 0.77 0.00 0.00 0.00 179.25 179.52 2vya h SER 51 N -0.00 -1.25 -0.29 0.00 0.02 -0.56 -0.40 113.55 111.07 2vya h SER 51 Ca 0.03 0.19 -0.00 0.00 -0.84 0.00 0.00 61.79 61.16 2vya h SER 51 Cb 0.60 0.54 -0.02 0.00 0.14 0.00 0.00 62.40 63.66 2vya h SER 51 CO 0.03 -0.38 0.18 -0.07 -1.14 0.00 0.00 176.83 175.45 2vya h LEU 52 N -0.38 0.36 -0.27 5.07 4.07 -0.80 -1.92 115.31 121.44 2vya h LEU 52 Ca 0.12 -0.02 -0.13 0.00 0.08 0.00 0.00 57.88 57.93 2vya h LEU 52 Cb 0.58 -0.09 -0.00 0.00 1.08 0.00 0.00 40.66 42.23 2vya h LEU 52 CO -0.47 0.28 -0.34 -0.08 -1.08 0.00 0.00 178.44 176.75 2vya h GLU 53 N 0.42 0.71 -0.56 1.13 4.57 -0.50 -2.49 114.58 117.86 2vya h GLU 53 Ca 0.11 -0.40 -0.00 0.00 -1.18 0.00 0.00 59.36 57.89 2vya h GLU 53 Cb -0.01 0.03 -0.03 0.00 -0.16 0.00 0.00 28.75 28.58 2vya h GLU 53 CO -0.02 1.02 0.34 1.15 -1.18 0.00 0.00 179.01 180.32 2vya h THR 54 N 0.45 1.17 -0.07 0.32 2.02 -0.44 -2.00 112.91 114.36 2vya h THR 54 Ca 0.04 -0.37 0.04 0.00 0.77 0.00 0.00 66.41 66.89 2vya h THR 54 Cb 0.92 0.40 -0.05 0.00 -1.74 0.00 0.00 68.15 67.68 2vya h THR 54 CO 0.08 0.17 -0.26 0.24 0.37 0.00 0.00 175.52 176.12 2vya h MET 55 N 0.76 -0.35 -0.29 6.66 2.86 -1.36 -0.29 114.93 122.92 2vya h MET 55 Ca 0.20 0.02 0.06 0.00 -2.06 0.00 0.00 59.70 57.93 2vya h MET 55 Cb -0.02 0.08 -0.06 0.00 0.06 0.00 0.00 31.60 31.66 2vya h MET 55 CO -0.04 -0.23 -0.09 0.22 1.06 0.00 0.00 176.91 177.83 2vya h ASP 56 N -0.36 -0.34 -0.75 1.22 3.58 -1.09 -0.16 116.42 118.52 2vya h ASP 56 Ca 0.08 0.10 -0.05 0.00 0.42 0.00 0.00 57.03 57.58 2vya h ASP 56 Cb 0.48 0.21 -0.03 0.00 1.72 0.00 0.00 39.33 41.70 2vya h ASP 56 CO -0.28 -0.12 0.30 0.11 -2.88 0.00 0.00 179.24 176.37 2vya h LYS 57 N -0.03 1.13 0.10 0.28 1.57 -1.17 0.25 116.57 118.70 2vya h LYS 57 Ca 0.14 -0.21 0.01 0.00 -1.87 0.00 0.00 60.65 58.72 2vya h LYS 57 Cb 0.25 -0.18 -0.01 0.00 0.08 0.00 0.00 32.23 32.37 2vya h LYS 57 CO -0.32 0.93 -0.12 0.00 -0.57 0.00 0.00 179.45 179.37 2vya h ALA 58 N 1.15 -0.22 -0.11 3.86 0.00 -0.24 -1.64 119.26 122.05 2vya h ALA 58 Ca 0.25 -0.03 -0.14 0.00 0.00 0.00 0.00 54.91 54.99 2vya h ALA 58 Cb 0.22 0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.18 2vya h ALA 58 CO -0.02 -0.64 -0.55 -0.39 0.00 0.00 0.00 179.25 177.65 2vya h VAL 59 N -0.26 1.35 -0.51 0.00 -1.51 -0.82 -2.31 116.25 112.20 2vya h VAL 59 Ca 0.01 -1.84 -0.02 0.00 -1.23 0.00 0.00 66.70 63.62 2vya h VAL 59 Cb 0.26 1.87 -0.02 0.00 -2.13 0.00 0.00 31.29 31.26 2vya h VAL 59 CO -0.05 0.55 0.23 -0.61 -1.23 0.00 0.00 177.57 176.46 2vya h GLN 60 N 0.26 0.74 -0.75 5.19 5.75 -0.33 -1.80 115.11 124.16 2vya h GLN 60 Ca 0.00 -0.12 -0.04 0.00 -0.15 0.00 0.00 58.65 58.34 2vya h GLN 60 Cb 1.05 -0.13 -0.03 0.00 1.07 0.00 0.00 27.48 29.44 2vya h GLN 60 CO 0.09 0.63 0.30 -0.09 -2.65 0.00 0.00 178.83 177.12 2vya h ARG 61 N 0.68 1.12 -0.15 1.69 2.43 -1.20 -2.64 114.38 116.30 2vya h ARG 61 Ca 0.17 -0.19 -0.01 0.00 -0.81 0.00 0.00 59.98 59.14 2vya h ARG 61 Cb 0.14 -0.19 -0.01 0.00 -0.42 0.00 0.00 29.97 29.50 2vya h ARG 61 CO -0.02 0.90 0.07 0.35 -1.51 0.00 0.00 179.97 179.76 2vya h PHE 62 N 1.09 0.22 -0.60 2.20 3.57 -0.92 -2.94 116.94 119.56 2vya h PHE 62 Ca 0.25 -0.01 0.04 0.00 3.53 0.00 0.00 57.97 61.78 2vya h PHE 62 Cb 0.20 -0.07 -0.04 0.00 2.79 0.00 0.00 35.95 38.83 2vya h PHE 62 CO 0.02 0.26 0.35 0.00 -2.23 0.00 0.00 178.31 176.71 2vya h ARG 63 N 0.11 0.66 -0.79 1.11 3.08 -1.26 -0.50 114.38 116.78 2vya h ARG 63 Ca 0.05 -0.04 0.18 0.00 0.07 0.00 0.00 59.98 60.24 2vya h ARG 63 Cb 0.13 -0.15 -0.12 0.00 0.08 0.00 0.00 29.97 29.91 2vya h ARG 63 CO -0.01 0.43 0.23 -0.07 -1.07 0.00 0.00 179.97 179.49 2vya h LEU 64 N 0.68 0.07 -0.50 3.04 4.07 -1.37 -0.86 115.31 120.44 2vya h LEU 64 Ca 0.25 0.15 -0.09 0.00 0.08 0.00 0.00 57.88 58.28 2vya h LEU 64 Cb 0.08 0.19 -0.01 0.00 1.08 0.00 0.00 40.66 42.01 2vya h LEU 64 CO -0.13 -0.04 -0.41 1.56 -1.08 0.00 0.00 178.44 178.34 2vya h GLN 65 N 0.29 0.00 -1.58 1.13 1.08 -1.13 -3.39 115.11 111.51 2vya h GLN 65 Ca 0.46 0.00 -0.50 0.00 -1.45 0.00 0.00 58.65 57.16 2vya h GLN 65 Cb 0.82 0.00 -0.41 0.00 -0.05 0.00 0.00 27.48 27.84 2vya h GLN 65 CO -0.53 0.41 -0.93 0.09 -0.95 0.00 0.00 178.83 176.91 2vya n ASN 66 N -3.35 3.06 0.04 1.46 3.02 -0.29 -4.92 115.26 114.29 2vya n ASN 66 Ca 0.01 -3.29 0.07 0.00 -0.03 0.00 0.00 54.58 51.34 2vya n ASN 66 Cb 0.61 -0.53 0.32 0.00 -0.61 0.00 0.00 39.78 39.58 2vya n ASN 66 CO 0.00 0.00 0.00 -0.81 -2.62 0.00 0.00 177.26 173.83 2vya n PRO 67 N -0.19 0.05 -0.66 3.52 -0.04 -0.94 -2.17 135.00 134.58 2vya n PRO 67 Ca 0.26 0.35 0.08 0.00 -0.04 0.00 0.00 63.50 64.15 2vya n PRO 67 Cb 0.66 -1.62 0.34 0.00 -0.04 0.00 0.00 33.50 32.84 2vya n PRO 67 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 2vya n ASP 68 N -1.72 4.82 -4.71 3.54 9.92 -1.26 -4.97 116.55 122.17 2vya n ASP 68 Ca 0.02 -2.75 -0.42 0.00 -0.53 0.00 0.00 54.79 51.12 2vya n ASP 68 Cb 0.15 -0.59 -0.03 0.00 -0.64 0.00 0.00 41.12 40.01 2vya n ASP 68 CO 0.00 0.00 0.00 -0.22 0.13 0.00 0.00 177.20 177.11 2vya s LEU 69 N -2.39 4.35 -1.06 0.64 1.98 -0.92 -4.96 118.68 116.32 2vya s LEU 69 Ca 0.49 1.93 -0.22 0.00 -2.89 0.00 0.00 54.13 53.43 2vya s LEU 69 Cb 0.35 -3.57 0.04 0.00 0.66 0.00 0.00 46.19 43.68 2vya s LEU 69 CO 0.17 -0.47 1.54 -0.62 -1.89 0.00 0.00 176.35 175.07 2vya s ASP 70 N 1.16 6.44 0.42 3.68 3.68 -1.26 -4.82 116.67 125.98 2vya s ASP 70 Ca 0.57 -1.57 0.19 0.00 2.13 0.00 0.00 52.55 53.88 2vya s ASP 70 Cb -0.27 -2.57 0.95 0.00 -1.45 0.00 0.00 42.92 39.57 2vya s ASP 70 CO 0.27 -1.56 1.88 -1.28 0.13 0.00 0.00 175.17 174.62 2vya h SER 71 N 9.53 0.00 -0.02 -0.34 0.87 -1.98 -2.91 113.55 118.70 2vya h SER 71 Ca 0.23 0.00 -0.09 0.00 -1.23 0.00 0.00 61.79 60.71 2vya h SER 71 Cb 0.99 0.00 0.01 0.00 -0.44 0.00 0.00 62.40 62.95 2vya h SER 71 CO 1.42 0.28 -0.33 -0.33 -0.53 0.00 0.00 176.83 177.34 2vya h GLU 72 N 0.00 0.25 -0.55 2.24 4.39 -2.00 -2.65 114.58 116.26 2vya h GLU 72 Ca -0.00 -0.25 0.08 0.00 0.34 0.00 0.00 59.36 59.53 2vya h GLU 72 Cb 0.62 0.07 -0.07 0.00 -0.10 0.00 0.00 28.75 29.27 2vya h GLU 72 CO 0.04 0.95 0.19 0.00 -1.16 0.00 0.00 179.01 179.02 2vya h ALA 73 N 0.31 0.68 0.62 3.43 0.00 -1.96 -2.73 119.26 119.62 2vya h ALA 73 Ca -0.04 0.08 -0.03 0.00 0.00 0.00 0.00 54.91 54.92 2vya h ALA 73 Cb 1.05 0.06 0.01 0.00 0.00 0.00 0.00 17.79 18.91 2vya h ALA 73 CO 0.07 -0.22 -0.31 1.25 0.00 0.00 0.00 179.25 180.04 2vya h LEU 74 N 0.36 -0.73 -1.07 0.00 7.12 -1.53 -2.06 115.31 117.40 2vya h LEU 74 Ca 0.27 0.03 -0.05 0.00 0.13 0.00 0.00 57.88 58.26 2vya h LEU 74 Cb 0.32 0.19 -0.02 0.00 -0.53 0.00 0.00 40.66 40.62 2vya h LEU 74 CO -0.29 -0.52 0.12 -0.07 -0.13 0.00 0.00 178.44 177.56 2vya h LEU 75 N -0.85 0.73 -2.14 2.25 3.38 -1.44 -2.99 115.31 114.25 2vya h LEU 75 Ca -0.08 -0.13 0.00 0.00 0.09 0.00 0.00 57.88 57.76 2vya h LEU 75 Cb 0.65 -0.19 0.00 0.00 0.09 0.00 0.00 40.66 41.21 2vya h LEU 75 CO 0.13 0.72 0.00 0.35 0.09 0.00 0.00 178.44 179.74 2vya n THR 76 N -4.28 0.44 -2.13 0.22 -2.24 -1.04 -4.85 114.28 100.41 2vya n THR 76 Ca 0.04 -0.68 -0.42 0.00 -2.27 0.00 0.00 64.05 60.72 2vya n THR 76 Cb 0.22 0.92 -0.03 0.00 -2.10 0.00 0.00 70.33 69.34 2vya n THR 76 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 2vya s LEU 77 N -1.52 4.39 0.95 3.22 1.43 -0.78 -5.02 118.68 121.35 2vya s LEU 77 Ca 0.37 2.45 -0.11 0.00 -1.03 0.00 0.00 54.13 55.81 2vya s LEU 77 Cb 0.22 -3.60 0.16 0.00 0.03 0.00 0.00 46.19 43.00 2vya s LEU 77 CO 0.31 -0.64 1.11 -2.16 0.23 0.00 0.00 176.35 175.21 2vya s PRO 78 N 0.40 0.75 0.18 1.29 0.04 -1.26 -4.72 135.00 131.67 2vya s PRO 78 Ca 0.61 1.31 -0.10 0.00 0.04 0.00 0.00 61.00 62.87 2vya s PRO 78 Cb -0.38 -1.71 0.08 0.00 0.04 0.00 0.00 34.50 32.52 2vya s PRO 78 CO 0.36 -2.74 1.67 1.25 0.04 0.00 0.00 177.00 177.58 2vya h LEU 79 N -1.94 0.99 -0.61 -3.56 5.85 -1.95 -1.20 115.31 112.89 2vya h LEU 79 Ca -0.47 -0.26 0.08 0.00 0.84 0.00 0.00 57.88 58.06 2vya h LEU 79 Cb 1.28 -0.26 -0.06 0.00 0.37 0.00 0.00 40.66 41.98 2vya h LEU 79 CO 0.45 1.00 0.27 -0.07 -0.34 0.00 0.00 178.44 179.75 2vya h LEU 80 N 0.94 0.34 -0.13 2.25 -0.00 -1.95 0.37 115.31 117.13 2vya h LEU 80 Ca 0.19 0.06 -0.03 0.00 -0.00 0.00 0.00 57.88 58.09 2vya h LEU 80 Cb 0.43 0.00 -0.00 0.00 -0.00 0.00 0.00 40.66 41.09 2vya h LEU 80 CO 0.01 0.21 -0.05 1.56 -0.00 0.00 0.00 178.44 180.17 2vya h GLN 81 N 0.50 0.27 -0.98 1.13 4.20 -1.85 -1.25 115.11 117.12 2vya h GLN 81 Ca 0.29 -0.11 0.12 0.00 0.06 0.00 0.00 58.65 59.01 2vya h GLN 81 Cb 0.29 -0.01 -0.08 0.00 0.30 0.00 0.00 27.48 27.98 2vya h GLN 81 CO -0.25 0.59 0.62 1.25 -0.67 0.00 0.00 178.83 180.38 2vya h LEU 82 N -0.07 0.89 -0.27 1.46 5.85 -0.87 -1.20 115.31 121.11 2vya h LEU 82 Ca 0.03 0.04 -0.12 0.00 0.84 0.00 0.00 57.88 58.68 2vya h LEU 82 Cb 0.51 -0.14 -0.00 0.00 0.37 0.00 0.00 40.66 41.40 2vya h LEU 82 CO 0.02 0.48 -0.29 0.58 -0.34 0.00 0.00 178.44 178.89 2vya h VAL 83 N 0.96 1.31 -0.54 1.05 2.07 -0.10 -2.11 116.25 118.88 2vya h VAL 83 Ca 0.48 -1.46 -0.07 0.00 0.82 0.00 0.00 66.70 66.47 2vya h VAL 83 Cb 0.50 1.63 -0.02 0.00 -1.52 0.00 0.00 31.29 31.88 2vya h VAL 83 CO -0.25 0.46 0.04 0.06 0.02 0.00 0.00 177.57 177.91 2vya h GLN 84 N 0.40 0.89 0.00 1.57 -0.00 -0.72 -0.41 115.11 116.84 2vya h GLN 84 Ca 0.04 -0.24 -0.09 0.00 -0.00 0.00 0.00 58.65 58.36 2vya h GLN 84 Cb 0.86 -0.11 -0.01 0.00 -0.00 0.00 0.00 27.48 28.22 2vya h GLN 84 CO 0.07 0.86 -0.44 0.87 -0.00 0.00 0.00 178.83 180.20 2vya h LYS 85 N 0.84 0.00 -0.02 0.06 1.57 -1.15 1.29 116.57 119.16 2vya h LYS 85 Ca 0.17 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.94 2vya h LYS 85 Cb 0.44 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.75 2vya h LYS 85 CO 0.02 0.44 -0.02 -0.07 -0.57 0.00 0.00 179.45 179.24 2vya h LEU 86 N 0.00 0.05 -0.04 2.94 4.07 -1.19 0.58 115.31 121.72 2vya h LEU 86 Ca -0.00 -0.54 0.01 0.00 0.08 0.00 0.00 57.88 57.43 2vya h LEU 86 Cb 0.89 -0.01 -0.02 0.00 1.08 0.00 0.00 40.66 42.61 2vya h LEU 86 CO 0.06 0.57 -0.04 -0.61 -1.08 0.00 0.00 178.44 177.34 2vya h GLN 87 N -0.48 -0.06 0.00 1.13 5.75 -0.10 -1.92 115.11 119.43 2vya h GLN 87 Ca 0.00 0.00 0.00 0.00 -0.15 0.00 0.00 58.65 58.51 2vya h GLN 87 Cb 0.56 0.01 0.00 0.00 1.07 0.00 0.00 27.48 29.13 2vya h GLN 87 CO 0.01 -0.04 0.00 0.66 -2.65 0.00 0.00 178.83 176.81 2vya h SER 88 N -0.06 0.00 0.00 -0.69 4.64 0.15 -3.46 113.55 114.13 2vya h SER 88 Ca 0.03 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.35 2vya h SER 88 Cb 0.11 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.20 2vya h SER 88 CO -0.08 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 176.49 2vya n GLY 89 N -0.52 0.72 0.25 -0.77 0.00 -0.72 -4.93 105.19 99.22 2vya n GLY 89 Ca -0.01 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 45.99 2vya n GLY 89 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 2vya h GLU 90 N 2.56 0.48 -6.64 1.61 4.81 -1.23 -3.42 114.58 112.75 2vya h GLU 90 Ca 0.00 -0.15 -0.69 0.00 -0.13 0.00 0.00 59.36 58.39 2vya h GLU 90 Cb 0.00 -0.05 -0.25 0.00 0.63 0.00 0.00 28.75 29.08 2vya h GLU 90 CO 0.00 0.62 -0.85 -0.51 -0.73 0.00 0.00 179.01 177.55 2vya s LEU 91 N -8.82 2.34 0.52 1.64 1.43 -0.07 -5.02 118.68 110.71 2vya s LEU 91 Ca -0.07 -0.49 -0.09 0.00 -1.03 0.00 0.00 54.13 52.45 2vya s LEU 91 Cb 0.14 -1.39 -0.05 0.00 0.03 0.00 0.00 46.19 44.93 2vya s LEU 91 CO 0.78 0.27 0.89 -0.94 0.23 0.00 0.00 176.35 177.58 2vya s SER 92 N -1.18 6.32 0.10 2.29 1.04 -1.26 -4.31 113.70 116.70 2vya s SER 92 Ca 0.12 1.20 -0.29 0.00 0.48 0.00 0.00 55.95 57.47 2vya s SER 92 Cb -0.10 -2.37 -0.12 0.00 0.10 0.00 0.00 66.02 63.53 2vya s SER 92 CO 0.03 -0.66 1.64 -0.65 0.98 0.00 0.00 173.24 174.57 2vya h PRO 93 N 0.24 -0.57 -0.88 4.02 0.11 -1.93 -2.85 132.00 130.14 2vya h PRO 93 Ca -0.46 0.04 0.22 0.00 0.11 0.00 0.00 66.00 65.91 2vya h PRO 93 Cb 1.19 0.13 -0.16 0.00 0.11 0.00 0.00 31.00 32.28 2vya h PRO 93 CO 0.62 -0.38 0.02 0.93 -0.21 0.00 0.00 178.00 178.98 2vya h GLU 94 N -0.59 0.07 0.08 1.05 3.07 -1.94 1.13 114.58 117.44 2vya h GLU 94 Ca -0.01 -0.00 0.01 0.00 -0.50 0.00 0.00 59.36 58.86 2vya h GLU 94 Cb 0.55 -0.01 -0.03 0.00 -0.84 0.00 0.00 28.75 28.41 2vya h GLU 94 CO -0.06 0.04 -0.37 0.00 -1.40 0.00 0.00 179.01 177.21 2vya h ALA 95 N 1.85 -0.86 -0.58 3.43 0.00 -1.94 0.42 119.26 121.57 2vya h ALA 95 Ca 0.51 -0.08 -0.04 0.00 0.00 0.00 0.00 54.91 55.30 2vya h ALA 95 Cb 0.97 0.78 -0.03 0.00 0.00 0.00 0.00 17.79 19.51 2vya h ALA 95 CO -0.80 -0.96 0.19 -0.24 0.00 0.00 0.00 179.25 177.45 2vya h VAL 96 N -0.53 1.22 0.45 0.00 3.04 -0.49 -2.40 116.25 117.54 2vya h VAL 96 Ca -0.00 -0.75 -0.02 0.00 -1.01 0.00 0.00 66.70 64.92 2vya h VAL 96 Cb 0.53 0.57 0.00 0.00 -2.01 0.00 0.00 31.29 30.39 2vya h VAL 96 CO -0.21 0.29 -0.22 0.15 -1.01 0.00 0.00 177.57 176.57 2vya h PHE 97 N 0.85 -0.56 0.00 3.17 3.04 0.14 -2.48 116.94 121.10 2vya h PHE 97 Ca 0.19 -0.01 -0.01 0.00 3.98 0.00 0.00 57.97 62.12 2vya h PHE 97 Cb 0.23 0.19 -0.00 0.00 2.56 0.00 0.00 35.95 38.92 2vya h PHE 97 CO 0.01 -0.35 -0.05 0.74 -2.02 0.00 0.00 178.31 176.64 2vya h PHE 98 N -0.90 0.00 0.38 0.41 0.04 -0.98 0.12 116.94 116.01 2vya h PHE 98 Ca -0.06 0.00 -0.02 0.00 2.80 0.00 0.00 57.97 60.69 2vya h PHE 98 Cb 0.46 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.62 2vya h PHE 98 CO 0.04 0.05 -0.18 1.15 -0.60 0.00 0.00 178.31 178.77 2vya h THR 99 N 0.00 0.63 -0.51 -1.55 2.02 -1.46 -2.07 112.91 109.97 2vya h THR 99 Ca -0.00 -0.26 0.01 0.00 0.77 0.00 0.00 66.41 66.92 2vya h THR 99 Cb 0.10 0.77 -0.03 0.00 -1.74 0.00 0.00 68.15 67.25 2vya h THR 99 CO 0.01 0.05 0.34 1.88 0.37 0.00 0.00 175.52 178.17 2vya h TYR 100 N -0.66 0.64 -0.89 3.16 0.05 -0.93 -1.87 116.97 116.46 2vya h TYR 100 Ca -0.05 0.02 0.10 0.00 0.05 0.00 0.00 58.73 58.84 2vya h TYR 100 Cb 0.47 -0.22 -0.08 0.00 1.01 0.00 0.00 36.73 37.92 2vya h TYR 100 CO -0.01 0.40 0.54 1.25 -1.05 0.00 0.00 178.16 179.28 2vya h LEU 101 N 0.69 0.79 0.61 3.88 6.46 -0.73 0.25 115.31 127.26 2vya h LEU 101 Ca 0.19 0.04 -0.03 0.00 -0.12 0.00 0.00 57.88 57.96 2vya h LEU 101 Cb -0.07 -0.11 0.00 0.00 -0.73 0.00 0.00 40.66 39.75 2vya h LEU 101 CO -0.05 0.45 -0.31 1.23 -0.62 0.00 0.00 178.44 179.14 2vya h GLY 102 N 0.89 -0.88 0.83 3.75 0.00 -0.91 -2.19 103.07 104.56 2vya h GLY 102 Ca 0.43 0.33 0.08 0.00 0.00 0.00 0.00 47.33 48.18 2vya h GLY 102 CO -0.24 -0.32 0.55 1.70 0.00 0.00 0.00 176.54 178.22 2vya h LYS 103 N -0.84 0.82 0.53 4.80 1.63 -0.36 -1.67 116.57 121.47 2vya h LYS 103 Ca -0.08 -0.05 -0.02 0.00 -0.85 0.00 0.00 60.65 59.65 2vya h LYS 103 Cb 0.65 -0.19 -0.02 0.00 -0.60 0.00 0.00 32.23 32.08 2vya h LYS 103 CO 0.13 0.54 -0.47 0.00 -3.45 0.00 0.00 179.45 176.20 2vya h ALA 104 N 1.57 -1.09 -1.00 5.00 0.00 -0.42 -1.43 119.26 121.89 2vya h ALA 104 Ca 0.38 -0.19 0.21 0.00 0.00 0.00 0.00 54.91 55.32 2vya h ALA 104 Cb 0.35 0.66 -0.11 0.00 0.00 0.00 0.00 17.79 18.70 2vya h ALA 104 CO -0.15 -1.15 0.61 2.35 0.00 0.00 0.00 179.25 180.92 2vya h TRP 105 N -0.99 0.97 -0.12 0.00 7.01 -0.68 -0.95 115.95 121.19 2vya h TRP 105 Ca -0.06 0.03 -0.10 0.00 2.11 0.00 0.00 58.89 60.87 2vya h TRP 105 Cb 0.85 -0.29 0.00 0.00 -2.10 0.00 0.00 29.16 27.63 2vya h TRP 105 CO -0.22 0.17 -0.30 0.93 -2.79 0.00 0.00 178.44 176.23 2vya h GLU 106 N 0.65 0.41 -0.17 2.65 5.08 -1.10 -3.09 114.58 119.01 2vya h GLU 106 Ca 0.59 -0.29 -0.11 0.00 -1.00 0.00 0.00 59.36 58.56 2vya h GLU 106 Cb 1.07 0.04 -0.01 0.00 0.50 0.00 0.00 28.75 30.35 2vya h GLU 106 CO -0.38 0.90 -0.36 -0.39 -1.00 0.00 0.00 179.01 177.78 2vya h VAL 107 N -0.01 1.29 -0.28 3.13 -1.51 -0.93 -2.55 116.25 115.39 2vya h VAL 107 Ca -0.00 -1.45 0.05 0.00 -1.23 0.00 0.00 66.70 64.06 2vya h VAL 107 Cb 0.91 1.57 -0.01 0.00 -2.13 0.00 0.00 31.29 31.62 2vya h VAL 107 CO 0.07 0.44 0.19 -1.13 -1.23 0.00 0.00 177.57 175.91 2vya h ASN 108 N 0.31 0.15 -0.41 4.19 -1.24 -1.16 -1.51 115.58 115.91 2vya h ASN 108 Ca 0.03 -0.00 0.07 0.00 0.71 0.00 0.00 56.30 57.11 2vya h ASN 108 Cb 0.78 -0.03 -0.06 0.00 0.73 0.00 0.00 38.32 39.74 2vya h ASN 108 CO 0.06 0.10 0.04 0.11 -1.29 0.00 0.00 177.43 176.46 2vya h LYS 109 N 0.18 0.16 0.00 6.67 1.57 -1.37 0.16 116.57 123.93 2vya h LYS 109 Ca 0.12 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.89 2vya h LYS 109 Cb 0.27 -0.04 0.00 0.00 0.08 0.00 0.00 32.23 32.55 2vya h LYS 109 CO -0.02 0.10 -0.19 0.78 -0.57 0.00 0.00 179.45 179.55 2vya h GLY 110 N 0.16 0.00 0.00 3.86 0.00 -1.45 -3.40 103.07 102.25 2vya h GLY 110 Ca 0.20 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.53 2vya h GLY 110 CO -0.29 0.00 -0.92 -1.30 0.00 0.00 0.00 176.54 174.03 2vya n THR 111 N -2.62 0.00 -3.62 4.70 -2.24 -0.66 -4.80 114.28 105.04 2vya n THR 111 Ca 0.04 0.00 -0.27 0.00 -2.27 0.00 0.00 64.05 61.55 2vya n THR 111 Cb 0.48 -0.10 0.04 0.00 -2.10 0.00 0.00 70.33 68.66 2vya n THR 111 CO 0.00 0.00 0.00 -3.20 -0.57 0.00 0.00 175.07 171.30 2vya n ASN 112 N -1.58 -4.73 -0.04 3.42 5.15 0.51 -1.61 115.26 116.39 2vya n ASN 112 Ca 0.00 -0.93 0.02 0.00 -0.60 0.00 0.00 54.58 53.07 2vya n ASN 112 Cb 0.19 -3.79 -0.15 0.00 -0.53 0.00 0.00 39.78 35.50 2vya n ASN 112 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 2vya s VAL 114 N -2.96 4.69 0.04 0.00 1.01 -1.26 0.91 120.40 122.84 2vya s VAL 114 Ca -0.08 0.71 -0.07 0.00 0.00 0.00 0.00 61.98 62.55 2vya s VAL 114 Cb 0.09 -4.26 -0.30 0.00 0.00 0.00 0.00 36.38 31.92 2vya s VAL 114 CO 0.77 -0.55 1.02 0.71 0.00 0.00 0.00 175.10 177.04 2vya h THR 115 N 5.85 1.34 -2.47 3.92 1.35 -1.10 -3.47 112.91 118.33 2vya h THR 115 Ca -0.25 -2.89 -0.09 0.00 -0.55 0.00 0.00 66.41 62.63 2vya h THR 115 Cb 1.09 2.91 -0.20 0.00 -1.73 0.00 0.00 68.15 70.22 2vya h THR 115 CO 0.93 0.86 -0.04 -0.55 -0.25 0.00 0.00 175.52 176.47 2vya s SER 116 N -7.21 -0.47 -0.22 5.36 0.15 -1.12 -4.25 113.70 105.95 2vya s SER 116 Ca -0.07 0.59 -0.16 0.00 0.70 0.00 0.00 55.95 57.00 2vya s SER 116 Cb 0.06 0.60 -0.04 0.00 -1.71 0.00 0.00 66.02 64.93 2vya s SER 116 CO 0.89 -0.45 0.43 -0.47 1.20 0.00 0.00 173.24 174.84 2vya s TYR 117 N -0.88 3.35 -0.77 3.44 6.04 -1.26 -1.27 117.35 126.00 2vya s TYR 117 Ca -0.09 0.62 -0.26 0.00 0.04 0.00 0.00 57.07 57.38 2vya s TYR 117 Cb -0.03 -2.58 0.04 0.00 -1.04 0.00 0.00 41.96 38.35 2vya s TYR 117 CO 0.06 -0.08 1.28 -0.51 -1.54 0.00 0.00 175.55 174.75 2vya s LEU 118 N 1.58 3.29 0.00 6.97 1.43 -0.38 -4.87 118.68 126.70 2vya s LEU 118 Ca 0.20 -0.60 0.24 0.00 -1.03 0.00 0.00 54.13 52.94 2vya s LEU 118 Cb -0.15 -2.55 1.03 0.00 0.03 0.00 0.00 46.19 44.55 2vya s LEU 118 CO 0.09 -1.77 1.77 0.41 0.23 0.00 0.00 176.35 177.07 2vya n THR 119 N 6.40 0.35 -0.95 5.49 -1.04 -1.26 -2.96 114.28 120.31 2vya n THR 119 Ca 0.06 0.09 0.03 0.00 -2.04 0.00 0.00 64.05 62.19 2vya n THR 119 Cb 0.49 -0.68 0.38 0.00 -1.82 0.00 0.00 70.33 68.70 2vya n THR 119 CO 0.00 0.00 0.00 -0.90 -0.64 0.00 0.00 175.07 173.53 2vya n ASP 120 N -1.49 5.51 0.03 8.00 3.85 -1.26 -4.48 116.55 126.71 2vya n ASP 120 Ca 0.06 -3.03 0.13 0.00 -0.71 0.00 0.00 54.79 51.24 2vya n ASP 120 Cb 0.27 -0.71 0.42 0.00 -1.35 0.00 0.00 41.12 39.76 2vya n ASP 120 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.20 176.19 2vya h GLU 122 N 0.00 0.00 0.03 0.00 5.08 -1.87 0.22 114.58 118.04 2vya h GLU 122 Ca 0.00 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.36 2vya h GLU 122 Cb 0.58 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.83 2vya h GLU 122 CO 0.00 0.58 -0.01 1.15 -1.00 0.00 0.00 179.01 179.72 2vya h THR 123 N 0.00 1.36 -0.80 1.13 2.02 -1.85 -3.05 112.91 111.72 2vya h THR 123 Ca -0.01 -1.28 0.07 0.00 0.77 0.00 0.00 66.41 65.96 2vya h THR 123 Cb 1.20 2.20 -0.05 0.00 -1.74 0.00 0.00 68.15 69.76 2vya h THR 123 CO 0.07 0.32 0.52 -0.61 0.37 0.00 0.00 175.52 176.20 2vya h GLN 124 N -0.61 0.82 -0.11 6.66 5.75 -1.55 -1.51 115.11 124.57 2vya h GLN 124 Ca -0.00 -0.05 0.03 0.00 -0.15 0.00 0.00 58.65 58.47 2vya h GLN 124 Cb 0.56 -0.18 -0.06 0.00 1.07 0.00 0.00 27.48 28.87 2vya h GLN 124 CO 0.01 0.54 -0.51 1.25 -2.65 0.00 0.00 178.83 177.46 2vya h LEU 125 N 0.84 -1.62 -0.66 -2.39 6.46 -0.49 0.23 115.31 117.68 2vya h LEU 125 Ca 0.35 0.19 -0.02 0.00 -0.12 0.00 0.00 57.88 58.28 2vya h LEU 125 Cb 0.28 0.63 -0.00 0.00 -0.73 0.00 0.00 40.66 40.83 2vya h LEU 125 CO -0.13 -0.46 -0.07 0.77 -0.62 0.00 0.00 178.44 177.93 2vya h SER 126 N -0.56 0.00 -0.32 1.25 4.64 -1.42 -2.89 113.55 114.25 2vya h SER 126 Ca 0.03 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.35 2vya h SER 126 Cb 0.65 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.74 2vya h SER 126 CO -0.40 0.07 0.00 1.67 -0.87 0.00 0.00 176.83 177.30 2vya n GLN 127 N -3.14 2.01 -2.13 4.77 -0.06 -0.58 -4.96 117.38 113.29 2vya n GLN 127 Ca 0.02 -1.54 -0.43 0.00 -2.00 0.00 0.00 57.00 53.06 2vya n GLN 127 Cb 0.46 -1.40 -0.02 0.00 -4.06 0.00 0.00 30.24 25.21 2vya n GLN 127 CO 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 177.06 176.86 2vya s ALA 128 N -1.59 3.14 -0.40 1.69 0.00 0.74 -4.91 121.76 120.44 2vya s ALA 128 Ca 0.33 0.32 -0.44 0.00 0.00 0.00 0.00 51.96 52.17 2vya s ALA 128 Cb 0.18 -3.90 -0.18 0.00 0.00 0.00 0.00 23.12 19.22 2vya s ALA 128 CO 0.25 -2.17 1.71 -2.30 0.00 0.00 0.00 175.76 173.25 2vya n PRO 129 N 7.90 0.53 0.09 0.00 -0.02 -1.26 -4.84 135.00 137.40 2vya n PRO 129 Ca 0.19 0.19 -0.06 0.00 -2.02 0.00 0.00 63.50 61.81 2vya n PRO 129 Cb 0.46 -1.79 0.07 0.00 -0.02 0.00 0.00 33.50 32.22 2vya n PRO 129 CO 0.00 0.00 0.00 -0.09 1.98 0.00 0.00 175.50 177.39 2vya h ARG 130 N 6.38 0.19 0.00 -0.52 1.12 -1.94 -1.92 114.38 117.70 2vya h ARG 130 Ca -0.43 -0.16 0.00 0.00 -1.11 0.00 0.00 59.98 58.28 2vya h ARG 130 Cb 1.35 0.04 0.00 0.00 -0.01 0.00 0.00 29.97 31.34 2vya h ARG 130 CO 0.98 0.83 0.00 1.04 -3.11 0.00 0.00 179.97 179.71 2vya n GLN 131 N -3.77 0.05 -1.67 0.20 6.02 -1.26 -4.85 117.38 112.09 2vya n GLN 131 Ca -0.03 0.12 -0.41 0.00 -0.01 0.00 0.00 57.00 56.67 2vya n GLN 131 Cb 0.69 -1.56 0.01 0.00 1.02 0.00 0.00 30.24 30.41 2vya n GLN 131 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2vya n GLY 132 N 1.01 0.28 0.00 1.08 0.00 -0.72 -4.91 105.19 101.92 2vya n GLY 132 Ca 0.06 0.17 0.10 0.00 0.00 0.00 0.00 46.02 46.35 2vya n GLY 132 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2vya n LEU 133 N 0.29 0.00 -0.14 0.99 4.32 -1.11 -2.58 117.00 118.77 2vya n LEU 133 Ca 0.08 0.49 0.09 0.00 -0.02 0.00 0.00 56.01 56.65 2vya n LEU 133 Cb 0.39 -0.49 0.13 0.00 -1.62 0.00 0.00 43.42 41.83 2vya n LEU 133 CO 0.58 -0.15 0.53 0.18 -1.22 0.00 0.00 177.39 177.31 2vya n LEU 134 N -1.49 2.15 -4.51 2.23 4.77 0.25 -5.03 117.00 115.36 2vya n LEU 134 Ca 0.05 -2.94 -0.52 0.00 -0.03 0.00 0.00 56.01 52.57 2vya n LEU 134 Cb 0.23 -0.39 -0.07 0.00 -2.33 0.00 0.00 43.42 40.86 2vya n LEU 134 CO 0.19 0.70 1.68 0.00 -1.33 0.00 0.00 177.39 178.63 2vya n TYR 135 N -1.28 1.75 0.00 -1.77 4.19 -1.07 -0.75 117.16 118.23 2vya n TYR 135 Ca 0.15 0.32 0.00 0.00 3.31 0.00 0.00 57.90 61.67 2vya n TYR 135 Cb 0.65 -2.52 0.00 0.00 0.49 0.00 0.00 39.34 37.96 2vya n TYR 135 CO 0.00 0.00 0.00 0.41 0.91 0.00 0.00 176.86 178.18 2vya n GLY 136 N 5.92 2.04 3.67 2.98 0.00 -1.09 -4.64 105.19 114.06 2vya n GLY 136 Ca 0.37 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.96 2vya n GLY 136 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2vya s VAL 137 N -2.53 4.70 0.02 1.61 1.01 0.08 -4.70 120.40 120.58 2vya s VAL 137 Ca 0.00 2.02 -0.30 0.00 0.00 0.00 0.00 61.98 63.70 2vya s VAL 137 Cb 0.00 -4.30 -0.05 0.00 0.00 0.00 0.00 36.38 32.03 2vya s VAL 137 CO 0.00 -0.13 1.27 -2.84 0.00 0.00 0.00 175.10 173.40 2vya s PRO 138 N 2.91 4.36 -0.08 2.72 0.02 -1.26 -0.07 135.00 143.60 2vya s PRO 138 Ca 0.45 1.82 0.03 0.00 0.02 0.00 0.00 61.00 63.32 2vya s PRO 138 Cb -0.16 -3.46 -0.02 0.00 0.02 0.00 0.00 34.50 30.88 2vya s PRO 138 CO 0.09 -0.41 -0.15 0.08 -0.33 0.00 0.00 177.00 176.28 2vya s VAL 139 N 1.75 2.91 0.11 3.83 1.01 0.13 -4.28 120.40 125.87 2vya s VAL 139 Ca 0.60 -0.75 -0.08 0.00 0.00 0.00 0.00 61.98 61.75 2vya s VAL 139 Cb -0.29 -2.16 -0.06 0.00 0.00 0.00 0.00 36.38 33.87 2vya s VAL 139 CO 0.26 0.56 0.40 -0.94 0.00 0.00 0.00 175.10 175.39 2vya s SER 140 N -0.24 6.59 -0.11 3.32 1.04 -0.75 -1.87 113.70 121.68 2vya s SER 140 Ca 0.01 0.74 0.02 0.00 0.48 0.00 0.00 55.95 57.19 2vya s SER 140 Cb -0.13 -2.15 0.01 0.00 0.10 0.00 0.00 66.02 63.85 2vya s SER 140 CO 0.03 0.12 -0.17 -0.76 0.98 0.00 0.00 173.24 173.44 2vya s LEU 141 N -2.20 1.82 0.63 2.42 1.43 -0.10 -2.73 118.68 119.96 2vya s LEU 141 Ca 0.36 -0.47 -0.17 0.00 -1.03 0.00 0.00 54.13 52.82 2vya s LEU 141 Cb -0.13 -1.17 -0.06 0.00 0.03 0.00 0.00 46.19 44.86 2vya s LEU 141 CO 0.20 0.04 0.61 1.17 0.23 0.00 0.00 176.35 178.60 2vya n LYS 142 N 4.10 0.50 0.15 1.70 4.81 -1.02 -0.76 118.16 127.64 2vya n LYS 142 Ca -0.19 0.20 0.12 0.00 -0.87 0.00 0.00 58.31 57.57 2vya n LYS 142 Cb 0.51 -1.84 0.55 0.00 0.02 0.00 0.00 35.03 34.27 2vya n LYS 142 CO 0.00 0.00 0.00 1.49 1.17 0.00 0.00 177.40 180.06 2vya h GLU 143 N 0.04 0.00 -0.25 1.64 4.81 -1.79 -2.80 114.58 116.24 2vya h GLU 143 Ca -0.46 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.77 2vya h GLU 143 Cb 1.37 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.75 2vya h GLU 143 CO 0.46 0.00 0.00 0.00 -0.73 0.00 0.00 179.01 178.74 2vya s PHE 145 N -1.68 2.99 0.15 0.00 0.40 -1.06 -0.48 117.98 118.31 2vya s PHE 145 Ca 0.31 -0.18 -0.34 0.00 -0.60 0.00 0.00 56.93 56.12 2vya s PHE 145 Cb 0.16 -3.60 -0.16 0.00 0.51 0.00 0.00 43.02 39.94 2vya s PHE 145 CO 0.24 -1.04 1.29 0.43 0.70 0.00 0.00 175.22 176.84 2vya n SER 146 N 6.54 1.79 -3.83 1.36 7.64 -1.20 -4.86 113.62 121.06 2vya n SER 146 Ca -0.02 1.13 -0.20 0.00 1.01 0.00 0.00 58.87 60.79 2vya n SER 146 Cb 0.47 -1.26 -0.17 0.00 -1.01 0.00 0.00 64.21 62.25 2vya n SER 146 CO 0.00 0.00 0.00 -0.47 -3.01 0.00 0.00 175.04 171.56 2vya s TYR 147 N 0.14 0.59 -0.47 1.43 5.04 -1.26 -1.25 117.35 121.57 2vya s TYR 147 Ca 0.77 -0.13 -0.42 0.00 -2.44 0.00 0.00 57.07 54.84 2vya s TYR 147 Cb -0.84 -0.64 -0.18 0.00 0.35 0.00 0.00 41.96 40.66 2vya s TYR 147 CO 0.49 -0.22 2.10 1.17 -1.34 0.00 0.00 175.55 177.75 2vya n LYS 148 N 4.45 0.23 -0.40 4.97 4.81 -1.26 -1.49 118.16 129.48 2vya n LYS 148 Ca -0.19 0.06 0.00 0.00 -0.87 0.00 0.00 58.31 57.31 2vya n LYS 148 Cb 0.50 -1.69 0.00 0.00 0.02 0.00 0.00 35.03 33.86 2vya n LYS 148 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 2vya n GLY 149 N 6.99 0.79 3.25 3.14 0.00 0.39 -4.95 105.19 114.81 2vya n GLY 149 Ca 0.50 -0.05 -0.23 0.00 0.00 0.00 0.00 46.02 46.24 2vya n GLY 149 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2vya s HIS 150 N -2.00 1.64 0.45 1.61 3.76 -0.55 -4.78 115.29 115.41 2vya s HIS 150 Ca 0.00 -0.42 -0.24 0.00 -0.15 0.00 0.00 55.06 54.25 2vya s HIS 150 Cb 0.00 -0.91 -0.08 0.00 1.11 0.00 0.00 32.58 32.71 2vya s HIS 150 CO 0.00 0.16 1.20 -0.51 -0.85 0.00 0.00 174.74 174.74 2vya s ASP 151 N -1.82 6.19 -0.79 1.40 -0.00 -1.26 -0.06 116.67 120.34 2vya s ASP 151 Ca 0.04 2.40 -0.02 0.00 -0.00 0.00 0.00 52.55 54.97 2vya s ASP 151 Cb -0.10 -2.61 0.20 0.00 -0.00 0.00 0.00 42.92 40.40 2vya s ASP 151 CO 0.04 -0.91 0.64 -0.44 -0.00 0.00 0.00 175.17 174.50 2vya s SER 152 N -1.20 5.66 0.14 0.27 0.01 -1.26 -4.90 113.70 112.43 2vya s SER 152 Ca 0.62 -3.42 -0.08 0.00 1.31 0.00 0.00 55.95 54.38 2vya s SER 152 Cb -0.31 -1.88 -0.04 0.00 0.21 0.00 0.00 66.02 64.01 2vya s SER 152 CO 0.38 -0.25 1.40 0.71 0.41 0.00 0.00 173.24 175.90 2vya h THR 153 N 4.52 1.31 -2.16 1.44 1.35 -1.82 -3.46 112.91 114.08 2vya h THR 153 Ca 0.10 -1.93 -0.40 0.00 -0.55 0.00 0.00 66.41 63.63 2vya h THR 153 Cb 0.86 1.89 -0.08 0.00 -1.73 0.00 0.00 68.15 69.09 2vya h THR 153 CO 0.79 0.60 -0.44 0.18 -0.25 0.00 0.00 175.52 176.41 2vya n LEU 154 N -3.93 -1.65 0.00 3.87 4.77 -1.26 -1.82 117.00 116.97 2vya n LEU 154 Ca -0.05 0.23 0.00 0.00 -0.03 0.00 0.00 56.01 56.16 2vya n LEU 154 Cb 0.69 -2.79 0.00 0.00 -2.33 0.00 0.00 43.42 38.98 2vya n LEU 154 CO 0.50 -0.59 0.00 0.61 -1.33 0.00 0.00 177.39 176.58 2vya n GLY 155 N -0.70 1.88 3.74 -0.72 0.00 -1.26 -0.56 105.19 107.57 2vya n GLY 155 Ca -0.22 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.40 2vya n GLY 155 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2vya s LEU 156 N 0.00 4.55 0.25 0.99 2.01 -0.76 -4.41 118.68 121.31 2vya s LEU 156 Ca 0.00 1.83 -0.03 0.00 0.01 0.00 0.00 54.13 55.94 2vya s LEU 156 Cb 0.00 -3.57 0.43 0.00 0.01 0.00 0.00 46.19 43.06 2vya s LEU 156 CO 0.00 0.02 1.82 -1.28 1.01 0.00 0.00 176.35 177.92 2vya h SER 157 N 5.05 0.75 0.56 2.29 0.87 -1.86 -2.91 113.55 118.30 2vya h SER 157 Ca -0.44 0.05 0.00 0.00 -1.23 0.00 0.00 61.79 60.17 2vya h SER 157 Cb 1.21 -0.10 0.00 0.00 -0.44 0.00 0.00 62.40 63.06 2vya h SER 157 CO 0.70 0.43 0.00 0.00 -0.53 0.00 0.00 176.83 177.43 2vya n LEU 158 N -4.70 0.00 -0.98 2.23 -0.00 -1.26 -1.64 117.00 110.65 2vya n LEU 158 Ca 0.15 0.48 0.10 0.00 -0.00 0.00 0.00 56.01 56.75 2vya n LEU 158 Cb 0.29 -0.48 0.17 0.00 -0.00 0.00 0.00 43.42 43.39 2vya n LEU 158 CO 0.27 -0.20 0.65 0.59 -0.00 0.00 0.00 177.39 178.70 2vya n ASN 159 N -1.48 3.14 -4.78 1.45 3.02 -1.10 -4.95 115.26 110.55 2vya n ASN 159 Ca 0.04 -1.92 -0.39 0.00 -0.03 0.00 0.00 54.58 52.28 2vya n ASN 159 Cb 0.19 -0.17 -0.06 0.00 -0.61 0.00 0.00 39.78 39.13 2vya n ASN 159 CO 0.00 0.00 0.00 -0.70 -2.62 0.00 0.00 177.26 173.94 2vya s GLU 160 N -1.45 4.37 -0.38 3.52 -6.30 -0.65 -3.99 118.70 113.82 2vya s GLU 160 Ca 0.32 0.91 -0.02 0.00 -2.50 0.00 0.00 54.97 53.67 2vya s GLU 160 Cb 0.19 -3.28 0.00 0.00 0.00 0.00 0.00 34.13 31.05 2vya s GLU 160 CO 0.27 0.53 0.33 0.41 0.02 0.00 0.00 175.26 176.82 2vya n GLY 161 N 1.90 0.48 2.50 -1.50 0.00 -1.26 -5.00 105.19 102.31 2vya n GLY 161 Ca -0.07 -0.40 -0.15 0.00 0.00 0.00 0.00 46.02 45.40 2vya n GLY 161 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 2vya n MET 162 N -1.81 0.81 -1.89 1.61 2.81 -1.26 -5.14 117.12 112.27 2vya n MET 162 Ca -0.01 -2.44 -0.40 0.00 -1.81 0.00 0.00 57.70 53.05 2vya n MET 162 Cb 0.52 -1.35 0.01 0.00 -0.71 0.00 0.00 33.22 31.69 2vya n MET 162 CO 0.00 0.00 0.00 -1.25 1.51 0.00 0.00 175.97 176.23 2vya s PRO 163 N -0.34 3.75 0.33 0.03 0.04 -1.26 -4.53 135.00 133.03 2vya s PRO 163 Ca 0.32 2.32 -0.29 0.00 0.04 0.00 0.00 61.00 63.39 2vya s PRO 163 Cb 0.23 -2.67 -0.11 0.00 0.04 0.00 0.00 34.50 32.00 2vya s PRO 163 CO -0.16 -0.73 1.47 0.45 0.04 0.00 0.00 177.00 178.08 2vya s SER 164 N -0.61 6.47 0.41 6.66 0.15 0.92 -4.78 113.70 122.92 2vya s SER 164 Ca 0.60 2.92 0.25 0.00 0.70 0.00 0.00 55.95 60.42 2vya s SER 164 Cb -0.42 -2.65 0.61 0.00 -1.71 0.00 0.00 66.02 61.85 2vya s SER 164 CO 0.53 -0.80 1.70 -0.08 1.20 0.00 0.00 173.24 175.80 2vya h GLU 165 N 3.74 0.00 -2.26 5.44 4.81 -1.90 0.11 114.58 124.51 2vya h GLU 165 Ca -0.49 0.00 0.11 0.00 -0.13 0.00 0.00 59.36 58.85 2vya h GLU 165 Cb 1.23 0.00 -0.15 0.00 0.63 0.00 0.00 28.75 30.46 2vya h GLU 165 CO 0.69 0.00 0.50 -1.54 -0.73 0.00 0.00 179.01 177.94 2vya s SER 166 N -5.77 -0.36 0.68 1.04 1.04 -1.26 -4.78 113.70 104.28 2vya s SER 166 Ca 0.07 -0.00 -0.17 0.00 0.48 0.00 0.00 55.95 56.32 2vya s SER 166 Cb 0.07 0.38 0.00 0.00 0.10 0.00 0.00 66.02 66.57 2vya s SER 166 CO 0.63 -0.62 1.25 0.47 0.98 0.00 0.00 173.24 175.95 2vya n ASP 167 N -0.24 1.78 -4.48 7.02 10.43 -1.26 -3.99 116.55 125.81 2vya n ASP 167 Ca -0.09 0.78 -0.29 0.00 2.57 0.00 0.00 54.79 57.76 2vya n ASP 167 Cb 0.62 -1.53 0.15 0.00 1.84 0.00 0.00 41.12 42.20 2vya n ASP 167 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 177.20 176.13 2vya h VAL 169 N -1.59 1.21 -0.74 0.00 2.07 -1.83 -1.90 116.25 113.47 2vya h VAL 169 Ca -0.47 -0.64 -0.04 0.00 0.82 0.00 0.00 66.70 66.36 2vya h VAL 169 Cb 1.30 0.72 -0.03 0.00 -1.52 0.00 0.00 31.29 31.75 2vya h VAL 169 CO 0.52 0.24 0.29 0.58 0.02 0.00 0.00 177.57 179.22 2vya h VAL 170 N 0.65 1.25 -0.58 2.57 2.07 -1.81 -1.62 116.25 118.78 2vya h VAL 170 Ca 0.16 -0.80 -0.09 0.00 0.82 0.00 0.00 66.70 66.79 2vya h VAL 170 Cb 0.19 0.37 -0.02 0.00 -1.52 0.00 0.00 31.29 30.31 2vya h VAL 170 CO -0.01 0.32 -0.01 0.58 0.02 0.00 0.00 177.57 178.47 2vya h VAL 171 N 1.08 1.26 -1.00 2.57 2.07 -1.81 -1.04 116.25 119.37 2vya h VAL 171 Ca 0.25 -1.13 0.01 0.00 0.82 0.00 0.00 66.70 66.65 2vya h VAL 171 Cb 0.22 0.82 -0.05 0.00 -1.52 0.00 0.00 31.29 30.76 2vya h VAL 171 CO -0.02 0.41 0.66 1.56 0.02 0.00 0.00 177.57 180.20 2vya h GLN 172 N 0.92 1.31 -0.00 1.57 4.20 -0.65 -0.23 115.11 122.23 2vya h GLN 172 Ca 0.17 -0.08 -0.00 0.00 0.06 0.00 0.00 58.65 58.79 2vya h GLN 172 Cb 0.54 -0.30 0.00 0.00 0.30 0.00 0.00 27.48 28.03 2vya h GLN 172 CO 0.03 0.87 -0.01 -0.39 -0.67 0.00 0.00 178.83 178.65 2vya h VAL 173 N 1.35 1.56 -0.83 -0.54 -1.51 -0.89 -0.90 116.25 114.50 2vya h VAL 173 Ca 0.37 -1.66 0.15 0.00 -1.23 0.00 0.00 66.70 64.32 2vya h VAL 173 Cb -0.14 2.68 -0.15 0.00 -2.13 0.00 0.00 31.29 31.55 2vya h VAL 173 CO -0.08 0.43 -0.31 -0.07 -1.23 0.00 0.00 177.57 176.31 2vya h LEU 174 N -0.69 -1.13 -0.72 4.19 3.38 -1.08 0.81 115.31 120.07 2vya h LEU 174 Ca -0.00 0.27 0.02 0.00 0.09 0.00 0.00 57.88 58.26 2vya h LEU 174 Cb 0.72 0.63 -0.04 0.00 0.09 0.00 0.00 40.66 42.05 2vya h LEU 174 CO 0.00 -0.29 0.46 0.11 0.09 0.00 0.00 178.44 178.81 2vya h LYS 175 N -0.05 0.90 0.00 1.13 1.57 -1.02 -1.10 116.57 118.00 2vya h LYS 175 Ca 0.34 -0.05 -0.03 0.00 -1.87 0.00 0.00 60.65 59.04 2vya h LYS 175 Cb 0.60 -0.20 -0.00 0.00 0.08 0.00 0.00 32.23 32.70 2vya h LYS 175 CO -0.87 0.59 -0.14 -0.07 -0.57 0.00 0.00 179.45 178.40 2vya h LEU 176 N 0.93 0.00 -1.62 2.94 3.38 0.14 -2.49 115.31 118.59 2vya h LEU 176 Ca 0.28 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.25 2vya h LEU 176 Cb -0.04 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.71 2vya h LEU 176 CO -0.08 0.14 0.00 1.67 0.09 0.00 0.00 178.44 180.25 2vya n GLN 177 N -3.39 2.05 0.00 1.13 -0.06 0.23 -4.69 117.38 112.65 2vya n GLN 177 Ca -0.01 -1.60 0.00 0.00 -2.00 0.00 0.00 57.00 53.40 2vya n GLN 177 Cb 0.33 -1.43 0.00 0.00 -4.06 0.00 0.00 30.24 25.08 2vya n GLN 177 CO 0.00 0.00 0.00 0.41 -0.20 0.00 0.00 177.06 177.27 2vya n GLY 178 N 1.27 3.33 3.66 1.69 0.00 -0.94 -0.59 105.19 113.62 2vya n GLY 178 Ca 0.17 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.87 2vya n GLY 178 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2vya n ALA 179 N -1.82 -0.66 -3.84 4.61 0.00 -0.48 -2.68 120.51 115.63 2vya n ALA 179 Ca 0.00 -0.47 -0.30 0.00 0.00 0.00 0.00 53.44 52.67 2vya n ALA 179 Cb 0.00 -2.18 -0.14 0.00 0.00 0.00 0.00 19.45 17.13 2vya n ALA 179 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 2vya s VAL 180 N -2.41 1.90 0.12 0.00 1.01 0.90 -4.34 120.40 117.57 2vya s VAL 180 Ca 0.69 -2.67 -0.31 0.00 0.00 0.00 0.00 61.98 59.68 2vya s VAL 180 Cb -0.25 -2.34 -0.09 0.00 0.00 0.00 0.00 36.38 33.70 2vya s VAL 180 CO 0.56 -0.79 1.53 -2.84 0.00 0.00 0.00 175.10 173.56 2vya s PRO 181 N 0.34 4.24 0.00 2.72 0.02 -1.25 -0.69 135.00 140.37 2vya s PRO 181 Ca 0.16 2.25 0.00 0.00 0.02 0.00 0.00 61.00 63.43 2vya s PRO 181 Cb -0.23 -3.32 0.00 0.00 0.02 0.00 0.00 34.50 30.96 2vya s PRO 181 CO -0.04 -0.60 0.00 1.97 -0.33 0.00 0.00 177.00 178.01 2vya n PHE 182 N 4.50 0.00 -3.89 6.54 -1.74 -0.78 -4.75 117.46 117.34 2vya n PHE 182 Ca 0.14 0.00 -0.11 0.00 -0.56 0.00 0.00 57.45 56.92 2vya n PHE 182 Cb 0.40 0.00 -0.10 0.00 1.52 0.00 0.00 39.48 41.30 2vya n PHE 182 CO 0.00 0.00 0.00 0.14 -0.56 0.00 0.00 176.76 176.34 2vya s VAL 183 N -0.45 0.09 -0.18 1.97 -7.23 -1.26 -1.25 120.40 112.10 2vya s VAL 183 Ca 0.00 -0.74 -0.10 0.00 -1.81 0.00 0.00 61.98 59.34 2vya s VAL 183 Cb 0.00 -0.43 -0.05 0.00 0.56 0.00 0.00 36.38 36.46 2vya s VAL 183 CO 0.00 -0.41 0.15 -1.00 -0.31 0.00 0.00 175.10 173.53 2vya s HIS 184 N -1.46 3.46 0.04 2.82 3.76 -0.40 -0.93 115.29 122.60 2vya s HIS 184 Ca -0.15 0.40 0.06 0.00 -0.15 0.00 0.00 55.06 55.23 2vya s HIS 184 Cb -0.08 -2.12 -0.03 0.00 1.11 0.00 0.00 32.58 31.46 2vya s HIS 184 CO 0.01 0.40 -0.14 0.95 -0.85 0.00 0.00 174.74 175.11 2vya s THR 185 N 0.01 3.10 0.79 1.30 -4.23 0.06 -0.50 115.64 116.18 2vya s THR 185 Ca 0.10 -1.11 -0.14 0.00 -1.18 0.00 0.00 61.69 59.37 2vya s THR 185 Cb -0.11 -2.35 0.07 0.00 1.34 0.00 0.00 72.50 71.44 2vya s THR 185 CO -0.00 0.30 1.15 -3.20 -0.54 0.00 0.00 174.62 172.33 2vya n ASN 186 N 1.38 0.90 -3.97 3.99 5.15 0.26 -2.42 115.26 120.55 2vya n ASN 186 Ca -0.15 0.60 -0.09 0.00 -0.60 0.00 0.00 54.58 54.34 2vya n ASN 186 Cb 0.52 -1.49 -0.10 0.00 -0.53 0.00 0.00 39.78 38.19 2vya n ASN 186 CO 0.00 0.00 0.00 0.68 1.40 0.00 0.00 177.26 179.34 2vya s VAL 187 N -2.05 0.14 0.77 3.44 -7.23 -1.26 -1.41 120.40 112.79 2vya s VAL 187 Ca 0.73 -1.14 -0.11 0.00 -1.81 0.00 0.00 61.98 59.65 2vya s VAL 187 Cb -0.30 -0.81 0.06 0.00 0.56 0.00 0.00 36.38 35.89 2vya s VAL 187 CO 0.51 -0.63 1.10 -2.16 -0.31 0.00 0.00 175.10 173.61 2vya s PRO 188 N -2.46 2.20 -0.08 4.82 0.04 -1.26 -4.30 135.00 133.97 2vya s PRO 188 Ca -0.06 1.26 -0.31 0.00 0.04 0.00 0.00 61.00 61.93 2vya s PRO 188 Cb -0.02 -1.88 -0.09 0.00 0.04 0.00 0.00 34.50 32.55 2vya s PRO 188 CO -0.04 -1.70 2.04 0.94 0.04 0.00 0.00 177.00 178.28 2vya n GLN 189 N -3.40 2.39 -0.40 4.56 7.27 0.19 -0.43 117.38 127.57 2vya n GLN 189 Ca 0.10 0.82 0.00 0.00 0.07 0.00 0.00 57.00 57.99 2vya n GLN 189 Cb 0.53 -2.97 0.00 0.00 2.41 0.00 0.00 30.24 30.21 2vya n GLN 189 CO 0.00 0.00 0.00 -1.13 0.07 0.00 0.00 177.06 176.00 2vya n SER 190 N 8.59 0.00 0.00 1.69 3.41 0.28 -3.97 113.62 123.62 2vya n SER 190 Ca 0.24 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.85 2vya n SER 190 Cb 0.39 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.34 2vya n SER 190 CO 0.00 0.00 0.00 0.23 -0.16 0.00 0.00 175.04 175.11 2vya n MET 191 N -2.00 -0.49 -2.39 4.33 2.81 0.43 -4.78 117.12 115.02 2vya n MET 191 Ca 0.00 0.12 -0.37 0.00 -1.81 0.00 0.00 57.70 55.64 2vya n MET 191 Cb 0.00 -3.72 0.02 0.00 -0.71 0.00 0.00 33.22 28.81 2vya n MET 191 CO 0.00 0.00 0.00 0.34 1.51 0.00 0.00 175.97 177.82 2vya n PHE 192 N -2.26 3.07 -3.56 2.03 7.35 -1.26 -4.47 117.46 118.37 2vya n PHE 192 Ca 0.00 -2.70 -0.16 0.00 -0.76 0.00 0.00 57.45 53.83 2vya n PHE 192 Cb 0.12 -0.99 -0.06 0.00 0.35 0.00 0.00 39.48 38.90 2vya n PHE 192 CO 0.00 0.00 0.00 0.45 -0.76 0.00 0.00 176.76 176.45 2vya s SER 193 N -1.73 -0.67 -0.42 -2.13 0.15 -1.26 -4.98 113.70 102.66 2vya s SER 193 Ca 0.46 0.93 0.05 0.00 0.70 0.00 0.00 55.95 58.09 2vya s SER 193 Cb 0.32 0.82 0.68 0.00 -1.71 0.00 0.00 66.02 66.13 2vya s SER 193 CO -0.24 -0.47 1.89 0.00 1.20 0.00 0.00 173.24 175.61 2vya n TYR 194 N 1.49 2.92 -2.65 3.44 0.18 -1.26 -2.61 117.16 118.67 2vya n TYR 194 Ca -0.17 -1.70 0.00 0.00 1.88 0.00 0.00 57.90 57.92 2vya n TYR 194 Cb 0.56 -0.89 0.00 0.00 -0.38 0.00 0.00 39.34 38.64 2vya n TYR 194 CO 0.00 0.00 0.00 -3.47 -2.08 0.00 0.00 176.86 171.31 2vya n ASP 195 N -0.91 0.63 -2.90 9.48 4.64 -1.26 -1.93 116.55 124.29 2vya n ASP 195 Ca 0.55 -0.34 -0.11 0.00 -1.38 0.00 0.00 54.79 53.51 2vya n ASP 195 Cb 1.61 0.00 -0.00 0.00 -1.04 0.00 0.00 41.12 41.68 2vya n ASP 195 CO 0.00 0.00 0.00 0.00 -0.82 0.00 0.00 177.20 176.38 2vya s SER 197 N -0.48 0.20 0.13 0.00 0.15 -1.26 -0.91 113.70 111.53 2vya s SER 197 Ca 0.32 -0.43 -0.16 0.00 0.70 0.00 0.00 55.95 56.37 2vya s SER 197 Cb 0.11 0.09 0.04 0.00 -1.71 0.00 0.00 66.02 64.56 2vya s SER 197 CO -0.15 -0.27 0.41 0.54 1.20 0.00 0.00 173.24 174.97 2vya s ASN 198 N -1.30 -0.25 0.09 5.45 2.20 -0.46 -0.63 114.94 120.04 2vya s ASN 198 Ca -0.14 -0.31 0.18 0.00 -0.94 0.00 0.00 52.86 51.65 2vya s ASN 198 Cb -0.09 0.48 0.77 0.00 -2.00 0.00 0.00 41.25 40.41 2vya s ASN 198 CO -0.01 -0.86 1.57 -2.65 -2.94 0.00 0.00 177.10 172.21 2vya n PRO 199 N -0.24 0.07 -0.01 3.55 -0.02 -1.26 -0.06 135.00 137.04 2vya n PRO 199 Ca -0.16 0.29 -0.00 0.00 -2.02 0.00 0.00 63.50 61.61 2vya n PRO 199 Cb 0.64 -1.63 -0.00 0.00 -0.02 0.00 0.00 33.50 32.49 2vya n PRO 199 CO 0.00 0.00 0.00 -0.07 1.98 0.00 0.00 175.50 177.41 2vya h LEU 200 N 0.00 0.00 -0.60 2.45 4.07 -1.91 -3.43 115.31 115.89 2vya h LEU 200 Ca 0.00 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.96 2vya h LEU 200 Cb 0.31 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.05 2vya h LEU 200 CO 0.00 0.07 -0.54 0.49 -1.08 0.00 0.00 178.44 177.38 2vya n PHE 201 N -2.41 0.00 -4.04 1.13 3.01 -1.24 -4.44 117.46 109.48 2vya n PHE 201 Ca -0.00 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.46 2vya n PHE 201 Cb 0.01 -0.05 0.00 0.00 -0.01 0.00 0.00 39.48 39.43 2vya n PHE 201 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 2vya n GLY 202 N 1.43 0.03 3.37 1.37 0.00 0.92 -4.92 105.19 107.39 2vya n GLY 202 Ca 0.08 -1.01 -0.33 0.00 0.00 0.00 0.00 46.02 44.77 2vya n GLY 202 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 2vya s GLN 203 N 0.00 3.20 0.17 1.61 0.74 -1.26 -1.35 119.66 122.77 2vya s GLN 203 Ca 0.00 -0.71 -0.08 0.00 0.05 0.00 0.00 55.36 54.62 2vya s GLN 203 Cb 0.00 -2.55 -0.06 0.00 1.10 0.00 0.00 33.01 31.50 2vya s GLN 203 CO 0.00 0.28 0.46 0.99 -0.55 0.00 0.00 175.29 176.46 2vya s THR 204 N 0.17 5.05 0.08 -0.34 2.01 -0.09 -4.69 115.64 117.83 2vya s THR 204 Ca -0.08 0.28 0.06 0.00 0.31 0.00 0.00 61.69 62.25 2vya s THR 204 Cb -0.15 -3.63 -0.03 0.00 0.01 0.00 0.00 72.50 68.70 2vya s THR 204 CO 0.05 0.02 -0.15 -0.04 -0.69 0.00 0.00 174.62 173.81 2vya s MET 205 N -2.63 0.87 0.09 4.92 1.00 -0.63 -4.54 119.30 118.38 2vya s MET 205 Ca 0.43 -0.99 -0.31 0.00 0.00 0.00 0.00 55.69 54.82 2vya s MET 205 Cb -0.12 -0.93 -0.09 0.00 0.00 0.00 0.00 34.83 33.70 2vya s MET 205 CO 0.22 0.21 1.59 1.21 0.00 0.00 0.00 175.02 178.25 2vya s ASN 206 N -1.76 6.63 0.41 3.03 3.84 -0.79 -4.68 114.94 121.62 2vya s ASN 206 Ca -0.01 2.48 0.29 0.00 0.21 0.00 0.00 52.86 55.83 2vya s ASN 206 Cb -0.10 -2.57 1.44 0.00 -0.55 0.00 0.00 41.25 39.47 2vya s ASN 206 CO 0.03 -0.84 1.87 1.55 -2.79 0.00 0.00 177.10 176.91 2vya h PRO 207 N 7.75 0.00 0.00 0.43 0.13 -1.92 -2.40 132.00 135.99 2vya h PRO 207 Ca -0.42 0.00 -0.04 0.00 -0.87 0.00 0.00 66.00 64.67 2vya h PRO 207 Cb 1.20 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.32 2vya h PRO 207 CO 0.92 0.00 -0.93 -1.49 -0.23 0.00 0.00 178.00 176.27 2vya h TRP 208 N 0.00 0.00 -0.79 1.56 4.06 -1.94 -3.46 115.95 115.38 2vya h TRP 208 Ca 0.00 0.00 0.18 0.00 2.06 0.00 0.00 58.89 61.13 2vya h TRP 208 Cb 0.13 0.00 -0.22 0.00 -1.00 0.00 0.00 29.16 28.07 2vya h TRP 208 CO 0.00 0.14 0.06 0.21 -3.56 0.00 0.00 178.44 175.29 2vya s LYS 209 N -3.24 0.32 0.02 0.49 2.20 -0.91 -5.04 119.74 113.59 2vya s LYS 209 Ca 0.00 0.67 0.17 0.00 -0.36 0.00 0.00 55.97 56.45 2vya s LYS 209 Cb 0.09 0.39 0.71 0.00 -1.51 0.00 0.00 37.83 37.50 2vya s LYS 209 CO 0.78 -0.26 1.53 -1.13 -0.36 0.00 0.00 175.35 175.91 2vya n SER 210 N 5.30 0.06 0.17 1.43 3.41 -1.21 -0.93 113.62 121.85 2vya n SER 210 Ca -0.07 0.51 0.13 0.00 -0.26 0.00 0.00 58.87 59.19 2vya n SER 210 Cb 0.52 -0.53 0.45 0.00 -0.26 0.00 0.00 64.21 64.40 2vya n SER 210 CO 0.00 0.00 0.00 0.77 -0.16 0.00 0.00 175.04 175.65 2vya h SER 211 N 0.00 0.00 -1.86 4.04 4.64 -1.96 -3.43 113.55 114.97 2vya h SER 211 Ca 0.00 0.00 -0.45 0.00 -0.47 0.00 0.00 61.79 60.87 2vya h SER 211 Cb 0.29 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.37 2vya h SER 211 CO 0.00 0.00 -0.37 -0.54 -0.87 0.00 0.00 176.83 175.05 2vya s LYS 212 N -3.30 3.11 0.23 4.77 -0.14 -0.10 -2.01 119.74 122.29 2vya s LYS 212 Ca 0.06 -1.01 -0.21 0.00 -1.36 0.00 0.00 55.97 53.45 2vya s LYS 212 Cb 0.09 -2.78 -0.08 0.00 -1.68 0.00 0.00 37.83 33.38 2vya s LYS 212 CO 0.53 0.12 0.75 0.45 -0.76 0.00 0.00 175.35 176.44 2vya s SER 213 N -4.12 7.11 0.00 2.83 0.15 -0.15 -1.88 113.70 117.64 2vya s SER 213 Ca 0.43 1.48 0.27 0.00 0.70 0.00 0.00 55.95 58.83 2vya s SER 213 Cb -0.09 -2.44 1.41 0.00 -1.71 0.00 0.00 66.02 63.19 2vya s SER 213 CO 0.30 0.03 1.94 -0.81 1.20 0.00 0.00 173.24 175.91 2vya n PRO 214 N 0.77 0.45 0.00 5.44 -0.04 -1.26 -4.50 135.00 135.85 2vya n PRO 214 Ca -0.02 0.03 0.00 0.00 -0.04 0.00 0.00 63.50 63.47 2vya n PRO 214 Cb 0.51 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.47 2vya n PRO 214 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2vya n GLY 215 N 0.99 -2.76 3.95 0.55 0.00 -1.26 -4.13 105.19 102.54 2vya n GLY 215 Ca 0.14 -1.73 0.03 0.00 0.00 0.00 0.00 46.02 44.45 2vya n GLY 215 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2vya s GLY 216 N -1.07 -0.16 0.13 -0.02 0.00 -0.81 -3.67 107.32 101.71 2vya s GLY 216 Ca 0.00 0.11 0.23 0.00 0.00 0.00 0.00 44.72 45.06 2vya s GLY 216 CO 0.00 5.11 1.70 -1.14 0.00 0.00 0.00 173.10 178.78 2vya n SER 217 N -1.01 0.39 -1.73 1.64 3.41 -1.07 -4.24 113.62 111.01 2vya n SER 217 Ca 0.02 0.57 -0.07 0.00 -0.26 0.00 0.00 58.87 59.14 2vya n SER 217 Cb 0.59 -0.66 -0.04 0.00 -0.26 0.00 0.00 64.21 63.84 2vya n SER 217 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 2vya n SER 218 N -1.90 5.52 -0.16 4.04 7.64 -1.00 -4.12 113.62 123.64 2vya n SER 218 Ca 0.04 -2.55 -0.10 0.00 1.01 0.00 0.00 58.87 57.27 2vya n SER 218 Cb 0.28 -1.20 -0.01 0.00 -1.01 0.00 0.00 64.21 62.27 2vya n SER 218 CO 0.00 0.00 0.00 1.23 -3.01 0.00 0.00 175.04 173.26 2vya h GLY 219 N 3.52 0.87 0.09 0.23 0.00 -1.70 -1.89 103.07 104.20 2vya h GLY 219 Ca 0.11 -0.65 0.06 0.00 0.00 0.00 0.00 47.33 46.85 2vya h GLY 219 CO 0.20 0.60 -0.27 -1.33 0.00 0.00 0.00 176.54 175.73 2vya h GLY 220 N 0.65 -0.24 0.67 4.60 0.00 -1.46 -0.76 103.07 106.53 2vya h GLY 220 Ca 0.13 0.34 0.06 0.00 0.00 0.00 0.00 47.33 47.85 2vya h GLY 220 CO 0.03 -0.21 0.31 0.83 0.00 0.00 0.00 176.54 177.50 2vya h GLU 221 N -0.28 0.57 -0.36 4.80 4.39 -1.75 -1.50 114.58 120.45 2vya h GLU 221 Ca 0.13 -0.03 -0.00 0.00 0.34 0.00 0.00 59.36 59.80 2vya h GLU 221 Cb 0.49 -0.13 -0.02 0.00 -0.10 0.00 0.00 28.75 29.00 2vya h GLU 221 CO -0.41 0.38 0.21 0.78 -1.16 0.00 0.00 179.01 178.81 2vya h GLY 222 N 0.59 0.52 1.17 -3.84 0.00 -0.62 -1.35 103.07 99.54 2vya h GLY 222 Ca 0.27 -0.23 -0.14 0.00 0.00 0.00 0.00 47.33 47.23 2vya h GLY 222 CO -0.18 0.22 -0.30 0.00 0.00 0.00 0.00 176.54 176.27 2vya h ALA 223 N 1.08 0.66 0.46 3.60 0.00 -0.94 0.11 119.26 124.23 2vya h ALA 223 Ca 0.13 -0.42 -0.02 0.00 0.00 0.00 0.00 54.91 54.59 2vya h ALA 223 Cb 0.03 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 17.68 2vya h ALA 223 CO -0.02 0.67 -0.22 1.25 0.00 0.00 0.00 179.25 180.93 2vya h LEU 224 N 0.78 -0.52 -1.20 0.00 5.85 -1.11 -2.15 115.31 116.97 2vya h LEU 224 Ca 0.08 -0.02 0.12 0.00 0.84 0.00 0.00 57.88 58.90 2vya h LEU 224 Cb 0.88 0.13 -0.07 0.00 0.37 0.00 0.00 40.66 41.97 2vya h LEU 224 CO 0.08 -0.10 0.58 0.40 -0.34 0.00 0.00 178.44 179.07 2vya h ILE 225 N -1.13 0.90 0.00 4.05 2.04 -1.33 -0.31 117.51 121.73 2vya h ILE 225 Ca -0.06 -0.28 -0.06 0.00 1.00 0.00 0.00 64.86 65.45 2vya h ILE 225 Cb 0.51 0.00 -0.01 0.00 -0.74 0.00 0.00 36.82 36.59 2vya h ILE 225 CO 0.10 0.15 -0.30 1.23 0.00 0.00 0.00 178.15 179.33 2vya h GLY 226 N 0.83 0.00 -2.49 5.37 0.00 -0.70 -2.65 103.07 103.43 2vya h GLY 226 Ca 0.44 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.77 2vya h GLY 226 CO -0.21 0.00 0.00 -1.14 0.00 0.00 0.00 176.54 175.19 2vya n SER 227 N -3.79 4.33 0.00 0.19 3.41 -0.81 -4.95 113.62 112.00 2vya n SER 227 Ca -0.01 -2.51 0.00 0.00 -0.26 0.00 0.00 58.87 56.09 2vya n SER 227 Cb 0.39 -0.52 0.00 0.00 -0.26 0.00 0.00 64.21 63.82 2vya n SER 227 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2vya n GLY 228 N 0.68 0.75 0.21 5.00 0.00 -1.00 -4.95 105.19 105.88 2vya n GLY 228 Ca 0.23 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.38 2vya n GLY 228 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2vya n GLY 229 N -2.29 -0.54 3.62 -0.02 0.00 -0.16 -4.81 105.19 100.99 2vya n GLY 229 Ca 0.00 -0.28 -0.11 0.00 0.00 0.00 0.00 46.02 45.63 2vya n GLY 229 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2vya s SER 230 N -1.86 -0.51 0.00 1.61 0.15 -1.24 -4.16 113.70 107.69 2vya s SER 230 Ca 0.39 0.91 0.25 0.00 0.70 0.00 0.00 55.95 58.21 2vya s SER 230 Cb 0.19 0.90 0.49 0.00 -1.71 0.00 0.00 66.02 65.90 2vya s SER 230 CO 0.31 -0.21 1.43 -0.81 1.20 0.00 0.00 173.24 175.16 2vya n PRO 231 N 2.06 2.02 -3.63 5.44 -0.04 -1.26 -4.35 135.00 135.24 2vya n PRO 231 Ca -0.13 -1.52 -0.06 0.00 -0.04 0.00 0.00 63.50 61.75 2vya n PRO 231 Cb 0.56 -1.47 -0.06 0.00 -0.04 0.00 0.00 33.50 32.49 2vya n PRO 231 CO 0.00 0.00 0.00 -1.17 -0.04 0.00 0.00 175.50 174.29 2vya s LEU 232 N -2.03 -0.22 0.00 1.53 2.96 -1.26 -4.41 118.68 115.25 2vya s LEU 232 Ca 0.31 0.34 -0.05 0.00 -0.22 0.00 0.00 54.13 54.51 2vya s LEU 232 Cb 0.20 1.46 0.02 0.00 0.50 0.00 0.00 46.19 48.37 2vya s LEU 232 CO 0.33 -0.13 0.34 0.61 -1.32 0.00 0.00 176.35 176.18 2vya n GLY 233 N 1.26 1.98 2.83 7.98 0.00 0.01 -1.81 105.19 117.45 2vya n GLY 233 Ca -0.08 -1.31 -0.13 0.00 0.00 0.00 0.00 46.02 44.50 2vya n GLY 233 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2vya s LEU 234 N 0.00 1.50 0.33 0.99 1.02 -1.10 -1.35 118.68 120.07 2vya s LEU 234 Ca 0.12 0.04 0.07 0.00 0.02 0.00 0.00 54.13 54.37 2vya s LEU 234 Cb -0.02 -0.01 -0.03 0.00 0.02 0.00 0.00 46.19 46.15 2vya s LEU 234 CO 0.08 -0.07 0.27 -0.83 0.02 0.00 0.00 176.35 175.82 2vya s GLY 235 N 0.55 2.32 0.26 -3.19 0.00 -0.70 -2.43 107.32 104.14 2vya s GLY 235 Ca -0.05 -2.03 0.11 0.00 0.00 0.00 0.00 44.72 42.75 2vya s GLY 235 CO -0.02 -1.48 -0.18 -0.51 0.00 0.00 0.00 173.10 170.90 2vya s THR 236 N -3.46 2.27 -0.26 0.90 -4.23 -1.26 -1.77 115.64 107.83 2vya s THR 236 Ca 0.40 -2.35 -0.02 0.00 -1.18 0.00 0.00 61.69 58.54 2vya s THR 236 Cb 0.03 -2.22 0.14 0.00 1.34 0.00 0.00 72.50 71.79 2vya s THR 236 CO 0.27 -0.45 0.42 -0.62 -0.54 0.00 0.00 174.62 173.69 2vya s ASP 237 N -3.45 -0.08 -0.01 3.99 3.68 0.27 -2.97 116.67 118.11 2vya s ASP 237 Ca 0.28 0.34 0.06 0.00 2.13 0.00 0.00 52.55 55.36 2vya s ASP 237 Cb -0.04 1.32 -0.08 0.00 -1.45 0.00 0.00 42.92 42.67 2vya s ASP 237 CO 0.13 -0.29 0.16 0.00 0.13 0.00 0.00 175.17 175.29 2vya n ILE 238 N 5.38 0.00 -2.12 4.11 3.06 -1.26 -1.72 119.36 126.80 2vya n ILE 238 Ca -0.03 -0.19 0.00 0.00 -2.50 0.00 0.00 62.75 60.03 2vya n ILE 238 Cb 0.50 0.53 -0.00 0.00 0.54 0.00 0.00 39.64 41.21 2vya n ILE 238 CO 0.00 0.00 0.00 0.61 -2.50 0.00 0.00 176.55 174.66 2vya n GLY 239 N 1.90 0.72 0.00 4.50 0.00 -1.26 -4.80 105.19 106.25 2vya n GLY 239 Ca -0.01 -0.21 0.00 0.00 0.00 0.00 0.00 46.02 45.81 2vya n GLY 239 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2vya n GLY 240 N 0.12 0.97 0.00 -0.02 0.00 -1.26 -3.71 105.19 101.29 2vya n GLY 240 Ca -0.01 0.00 0.10 0.00 0.00 0.00 0.00 46.02 46.10 2vya n GLY 240 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2vya n SER 241 N 0.00 0.03 -0.02 1.61 7.64 -1.26 0.62 113.62 122.24 2vya n SER 241 Ca 0.00 0.51 -0.19 0.00 1.01 0.00 0.00 58.87 60.19 2vya n SER 241 Cb 0.00 -0.51 -0.14 0.00 -1.01 0.00 0.00 64.21 62.55 2vya n SER 241 CO 0.00 0.00 0.00 -0.38 -3.01 0.00 0.00 175.04 171.65 2vya n ILE 242 N -1.53 1.71 0.14 0.44 5.41 -1.16 -2.39 119.36 121.98 2vya n ILE 242 Ca 0.05 -0.66 -0.23 0.00 1.00 0.00 0.00 62.75 62.90 2vya n ILE 242 Cb 0.23 -1.59 -0.15 0.00 -0.71 0.00 0.00 39.64 37.42 2vya n ILE 242 CO 0.00 0.00 0.00 0.03 0.00 0.00 0.00 176.55 176.58 2vya h ARG 243 N 0.05 0.52 0.19 0.38 3.08 -1.57 -2.94 114.38 114.09 2vya h ARG 243 Ca -0.44 -0.86 0.01 0.00 0.07 0.00 0.00 59.98 58.76 2vya h ARG 243 Cb 2.01 0.32 -0.04 0.00 0.08 0.00 0.00 29.97 32.34 2vya h ARG 243 CO 0.06 1.41 -0.50 0.74 -1.07 0.00 0.00 179.97 180.60 2vya h PHE 244 N 0.15 -1.44 0.00 3.04 0.04 -0.08 -0.79 116.94 117.87 2vya h PHE 244 Ca -0.23 0.03 -0.08 0.00 2.80 0.00 0.00 57.97 60.48 2vya h PHE 244 Cb 2.12 0.60 -0.01 0.00 2.20 0.00 0.00 35.95 40.86 2vya h PHE 244 CO 0.12 -0.60 -0.40 -1.00 -0.60 0.00 0.00 178.31 175.83 2vya h PRO 245 N -0.78 0.00 -0.11 1.51 0.13 -1.72 -0.55 132.00 130.48 2vya h PRO 245 Ca -0.01 0.00 0.01 0.00 -0.87 0.00 0.00 66.00 65.13 2vya h PRO 245 Cb 0.77 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.89 2vya h PRO 245 CO -0.24 0.40 0.04 0.77 -0.23 0.00 0.00 178.00 178.74 2vya h SER 246 N 0.00 0.04 -0.00 1.44 0.02 -1.38 -1.09 113.55 112.58 2vya h SER 246 Ca -0.00 0.01 -0.00 0.00 -0.84 0.00 0.00 61.79 60.96 2vya h SER 246 Cb 0.93 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 63.48 2vya h SER 246 CO 0.05 0.04 -0.00 0.00 -1.14 0.00 0.00 176.83 175.79 2vya h ALA 247 N 1.07 0.00 -0.77 3.77 0.00 -0.91 0.36 119.26 122.78 2vya h ALA 247 Ca 0.05 -0.19 0.07 0.00 0.00 0.00 0.00 54.91 54.83 2vya h ALA 247 Cb 0.02 -0.00 -0.05 0.00 0.00 0.00 0.00 17.79 17.76 2vya h ALA 247 CO -0.05 -0.31 0.51 0.74 0.00 0.00 0.00 179.25 180.14 2vya h PHE 248 N -0.37 0.83 -0.52 0.00 -1.00 -1.10 -2.80 116.94 111.98 2vya h PHE 248 Ca 0.00 0.02 0.00 0.00 2.81 0.00 0.00 57.97 60.80 2vya h PHE 248 Cb 0.38 -0.27 0.00 0.00 3.61 0.00 0.00 35.95 39.67 2vya h PHE 248 CO 0.06 0.44 0.00 0.00 -1.61 0.00 0.00 178.31 177.19 2vya n GLY 250 N 1.47 0.42 3.71 0.00 0.00 -0.77 -4.69 105.19 105.34 2vya n GLY 250 Ca 0.21 -0.92 -0.33 0.00 0.00 0.00 0.00 46.02 44.98 2vya n GLY 250 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 2vya n ILE 251 N -3.41 0.00 -4.06 -0.61 -5.35 0.05 -4.80 119.36 101.17 2vya n ILE 251 Ca -0.02 -2.47 -0.28 0.00 -0.27 0.00 0.00 62.75 59.71 2vya n ILE 251 Cb 0.26 0.54 -0.06 0.00 -1.74 0.00 0.00 39.64 38.64 2vya n ILE 251 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 2vya s GLY 253 N -2.77 -0.28 -0.07 0.00 0.00 -1.05 -1.25 107.32 101.90 2vya s GLY 253 Ca 0.30 0.63 0.04 0.00 0.00 0.00 0.00 44.72 45.69 2vya s GLY 253 CO 0.23 0.38 -0.18 -2.27 0.00 0.00 0.00 173.10 171.26 2vya s LEU 254 N -1.23 1.90 -0.49 0.66 2.96 -0.93 -0.73 118.68 120.81 2vya s LEU 254 Ca -0.12 -0.41 -0.14 0.00 -0.22 0.00 0.00 54.13 53.24 2vya s LEU 254 Cb -0.04 -1.09 0.11 0.00 0.50 0.00 0.00 46.19 45.67 2vya s LEU 254 CO 0.06 0.13 0.41 -0.75 -1.32 0.00 0.00 176.35 174.88 2vya s LYS 255 N 0.29 2.84 0.99 1.98 2.20 0.74 -3.78 119.74 125.01 2vya s LYS 255 Ca -0.11 -1.60 -0.12 0.00 -0.36 0.00 0.00 55.97 53.78 2vya s LYS 255 Cb -0.15 -4.12 0.18 0.00 -1.51 0.00 0.00 37.83 32.24 2vya s LYS 255 CO 0.05 -1.18 1.10 -2.14 -0.36 0.00 0.00 175.35 172.82 2vya s PRO 256 N 1.54 0.48 0.42 4.03 0.02 -1.26 -1.50 135.00 138.73 2vya s PRO 256 Ca 0.04 0.47 -0.24 0.00 0.02 0.00 0.00 61.00 61.29 2vya s PRO 256 Cb -0.27 -1.75 -0.11 0.00 0.02 0.00 0.00 34.50 32.40 2vya s PRO 256 CO 0.03 -2.69 0.88 2.41 -0.33 0.00 0.00 177.00 177.31 2vya n THR 257 N -4.14 2.33 -0.36 0.99 -1.04 -1.26 -4.73 114.28 106.07 2vya n THR 257 Ca 0.05 -0.50 0.06 0.00 -2.04 0.00 0.00 64.05 61.62 2vya n THR 257 Cb 0.58 -0.98 0.22 0.00 -1.82 0.00 0.00 70.33 68.33 2vya n THR 257 CO 0.00 0.00 0.00 1.23 -0.64 0.00 0.00 175.07 175.66 2vya h GLY 258 N 1.29 1.59 -3.24 3.41 0.00 -1.88 -1.66 103.07 102.59 2vya h GLY 258 Ca -0.43 -0.42 -0.07 0.00 0.00 0.00 0.00 47.33 46.41 2vya h GLY 258 CO 0.55 0.19 0.08 -2.01 0.00 0.00 0.00 176.54 175.35 2vya n ASN 259 N -4.61 5.12 -0.06 0.19 5.15 -1.26 -4.24 115.26 115.55 2vya n ASN 259 Ca 0.18 -3.06 -0.15 0.00 -0.60 0.00 0.00 54.58 50.95 2vya n ASN 259 Cb 0.31 -0.68 -0.06 0.00 -0.53 0.00 0.00 39.78 38.82 2vya n ASN 259 CO 0.00 0.00 0.00 -0.09 1.40 0.00 0.00 177.26 178.57 2vya h ARG 260 N 3.19 0.71 -6.14 1.20 9.65 -1.65 -3.37 114.38 117.97 2vya h ARG 260 Ca 0.08 -0.47 -0.56 0.00 -1.10 0.00 0.00 59.98 57.93 2vya h ARG 260 Cb 2.00 0.07 -0.09 0.00 -1.39 0.00 0.00 29.97 30.55 2vya h ARG 260 CO 0.52 1.09 -0.62 -0.51 2.80 0.00 0.00 179.97 183.26 2vya s LEU 261 N -8.72 3.15 -0.17 3.80 1.43 -1.26 -4.80 118.68 112.11 2vya s LEU 261 Ca -0.12 -0.75 -0.25 0.00 -1.03 0.00 0.00 54.13 51.98 2vya s LEU 261 Cb 0.08 -1.63 -0.01 0.00 0.03 0.00 0.00 46.19 44.65 2vya s LEU 261 CO 0.85 -0.11 0.83 -0.55 0.23 0.00 0.00 176.35 177.61 2vya s SER 262 N -3.72 6.95 -0.10 2.29 0.15 -1.26 -4.92 113.70 113.10 2vya s SER 262 Ca 0.33 1.17 0.10 0.00 0.70 0.00 0.00 55.95 58.26 2vya s SER 262 Cb -0.04 -2.45 0.46 0.00 -1.71 0.00 0.00 66.02 62.27 2vya s SER 262 CO 0.20 -0.40 1.26 0.29 1.20 0.00 0.00 173.24 175.79 2vya n LYS 263 N 5.26 2.92 -2.10 5.44 5.02 -1.26 -4.53 118.16 128.91 2vya n LYS 263 Ca 0.05 -1.77 -0.42 0.00 -2.02 0.00 0.00 58.31 54.15 2vya n LYS 263 Cb 0.49 -1.77 -0.03 0.00 -0.02 0.00 0.00 35.03 33.70 2vya n LYS 263 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 2vya s SER 264 N -0.62 6.76 0.00 4.39 0.15 -1.26 -2.69 113.70 120.42 2vya s SER 264 Ca 0.31 2.49 0.00 0.00 0.70 0.00 0.00 55.95 59.45 2vya s SER 264 Cb 0.22 -2.60 0.00 0.00 -1.71 0.00 0.00 66.02 61.92 2vya s SER 264 CO 0.12 -0.66 0.00 0.61 1.20 0.00 0.00 173.24 174.51 2vya n GLY 265 N 2.90 0.39 3.77 9.45 0.00 -1.26 -2.68 105.19 117.76 2vya n GLY 265 Ca 0.09 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.72 2vya n GLY 265 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2vya s LEU 266 N 0.00 4.54 -0.04 0.99 1.02 -1.10 -3.22 118.68 120.87 2vya s LEU 266 Ca 0.00 1.55 -0.24 0.00 0.02 0.00 0.00 54.13 55.47 2vya s LEU 266 Cb 0.00 -3.25 -0.04 0.00 0.02 0.00 0.00 46.19 42.92 2vya s LEU 266 CO 0.00 0.14 0.72 -0.75 0.02 0.00 0.00 176.35 176.48 2vya s LYS 267 N -0.76 4.44 0.32 1.70 2.47 0.36 -4.98 119.74 123.31 2vya s LYS 267 Ca 0.36 0.92 0.06 0.00 -1.56 0.00 0.00 55.97 55.76 2vya s LYS 267 Cb -0.22 -3.43 -0.02 0.00 -1.46 0.00 0.00 37.83 32.70 2vya s LYS 267 CO 0.25 0.11 0.31 0.41 0.16 0.00 0.00 175.35 176.58 2vya n GLY 268 N 2.95 2.82 0.09 5.54 0.00 -1.26 -4.82 105.19 110.51 2vya n GLY 268 Ca -0.01 -1.84 -0.09 0.00 0.00 0.00 0.00 46.02 44.08 2vya n GLY 268 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2vya s VAL 270 N -2.57 1.76 -0.01 0.00 -7.23 -1.26 -4.65 120.40 106.44 2vya s VAL 270 Ca -0.07 -1.20 0.03 0.00 -1.81 0.00 0.00 61.98 58.93 2vya s VAL 270 Cb 0.07 -1.51 -0.01 0.00 0.56 0.00 0.00 36.38 35.49 2vya s VAL 270 CO 0.83 0.27 -0.11 -0.31 -0.31 0.00 0.00 175.10 175.46 2vya s TYR 271 N -0.77 0.99 0.00 2.82 2.02 -1.26 -4.80 117.35 116.35 2vya s TYR 271 Ca 0.08 -0.19 0.00 0.00 -0.37 0.00 0.00 57.07 56.59 2vya s TYR 271 Cb -0.09 -0.64 0.00 0.00 -0.40 0.00 0.00 41.96 40.83 2vya s TYR 271 CO 0.02 -0.02 0.00 0.41 -1.57 0.00 0.00 175.55 174.38 2vya n GLY 272 N 2.84 0.74 3.39 0.71 0.00 -1.26 -5.05 105.19 106.56 2vya n GLY 272 Ca -0.14 -0.45 -0.40 0.00 0.00 0.00 0.00 46.02 45.03 2vya n GLY 272 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 2vya s GLN 273 N -0.84 2.94 0.00 1.61 -0.44 -1.26 -4.95 119.66 116.72 2vya s GLN 273 Ca 0.00 -1.00 0.01 0.00 -2.50 0.00 0.00 55.36 51.87 2vya s GLN 273 Cb 0.00 -3.68 -0.00 0.00 -1.64 0.00 0.00 33.01 27.69 2vya s GLN 273 CO 0.00 -0.63 0.28 0.25 0.50 0.00 0.00 175.29 175.69 2vya n THR 274 N 4.99 0.00 0.19 -0.34 -2.24 -1.26 -4.70 114.28 110.91 2vya n THR 274 Ca -0.12 -0.49 -0.14 0.00 -2.27 0.00 0.00 64.05 61.02 2vya n THR 274 Cb 0.47 1.01 -0.07 0.00 -2.10 0.00 0.00 70.33 69.63 2vya n THR 274 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2vya h ALA 275 N 0.13 -0.50 -2.97 6.98 0.00 -1.92 -3.38 119.26 117.59 2vya h ALA 275 Ca 0.00 -0.09 -0.67 0.00 0.00 0.00 0.00 54.91 54.15 2vya h ALA 275 Cb 0.03 0.30 -0.25 0.00 0.00 0.00 0.00 17.79 17.87 2vya h ALA 275 CO 0.00 -0.80 -0.61 0.08 0.00 0.00 0.00 179.25 177.91 2vya s VAL 276 N -6.09 4.14 0.36 0.00 1.01 -1.26 -4.99 120.40 113.57 2vya s VAL 276 Ca -0.16 -0.50 -0.26 0.00 0.00 0.00 0.00 61.98 61.06 2vya s VAL 276 Cb 0.06 -3.07 -0.09 0.00 0.00 0.00 0.00 36.38 33.28 2vya s VAL 276 CO 0.64 0.16 1.09 -1.10 0.00 0.00 0.00 175.10 175.89 2vya s GLN 277 N 1.55 4.31 0.24 2.72 -0.21 -1.26 -5.01 119.66 122.01 2vya s GLN 277 Ca 0.04 1.68 -0.30 0.00 0.02 0.00 0.00 55.36 56.81 2vya s GLN 277 Cb -0.16 -2.80 -0.09 0.00 1.00 0.00 0.00 33.01 30.95 2vya s GLN 277 CO 0.03 -0.05 0.95 -1.17 -2.12 0.00 0.00 175.29 172.93 2vya s LEU 278 N -2.18 4.64 -0.01 2.90 2.96 -1.26 -4.68 118.68 121.05 2vya s LEU 278 Ca 0.53 1.96 0.05 0.00 -0.22 0.00 0.00 54.13 56.44 2vya s LEU 278 Cb -0.27 -3.62 -0.01 0.00 0.50 0.00 0.00 46.19 42.78 2vya s LEU 278 CO 0.35 0.14 -0.15 -0.55 -1.32 0.00 0.00 176.35 174.82 2vya s SER 279 N -1.18 1.71 -0.01 3.68 0.15 -0.70 -4.63 113.70 112.71 2vya s SER 279 Ca 0.41 -0.28 0.07 0.00 0.70 0.00 0.00 55.95 56.85 2vya s SER 279 Cb -0.26 -0.18 -0.02 0.00 -1.71 0.00 0.00 66.02 63.85 2vya s SER 279 CO 0.32 0.16 -0.23 -1.48 1.20 0.00 0.00 173.24 173.21 2vya s LEU 280 N -0.43 2.05 0.28 3.45 0.05 -1.26 0.96 118.68 123.78 2vya s LEU 280 Ca 0.05 -0.43 -0.20 0.00 0.05 0.00 0.00 54.13 53.60 2vya s LEU 280 Cb -0.06 -1.20 0.04 0.00 -2.05 0.00 0.00 46.19 42.93 2vya s LEU 280 CO -0.00 0.28 0.81 -0.83 -0.55 0.00 0.00 176.35 176.06 2vya s GLY 281 N -0.58 0.02 0.31 -3.48 0.00 -0.73 -4.50 107.32 98.36 2vya s GLY 281 Ca 0.09 -0.34 -0.19 0.00 0.00 0.00 0.00 44.72 44.27 2vya s GLY 281 CO -0.01 0.08 0.81 2.56 0.00 0.00 0.00 173.10 176.54 2vya s PRO 282 N -3.23 4.21 -0.08 2.90 0.04 -1.25 -1.71 135.00 135.89 2vya s PRO 282 Ca 0.13 0.92 0.03 0.00 0.04 0.00 0.00 61.00 62.12 2vya s PRO 282 Cb -0.05 -2.58 0.01 0.00 0.04 0.00 0.00 34.50 31.93 2vya s PRO 282 CO 0.07 0.21 -0.16 -1.64 0.04 0.00 0.00 177.00 175.52 2vya s MET 283 N -2.57 2.17 0.32 4.56 -1.94 -0.45 -2.19 119.30 119.20 2vya s MET 283 Ca 0.52 -0.57 -0.07 0.00 -1.71 0.00 0.00 55.69 53.85 2vya s MET 283 Cb -0.13 -1.74 0.01 0.00 2.01 0.00 0.00 34.83 34.98 2vya s MET 283 CO 0.19 0.06 0.52 0.00 -0.01 0.00 0.00 175.02 175.78 2vya s ALA 284 N 0.61 0.28 -0.59 3.03 0.00 -0.38 -0.81 121.76 123.90 2vya s ALA 284 Ca -0.15 -1.23 0.25 0.00 0.00 0.00 0.00 51.96 50.82 2vya s ALA 284 Cb -0.16 1.06 0.55 0.00 0.00 0.00 0.00 23.12 24.57 2vya s ALA 284 CO 0.05 -0.83 1.64 0.00 0.00 0.00 0.00 175.76 176.61 2vya h ARG 285 N 2.14 0.00 -3.99 0.00 3.08 -1.85 -0.22 114.38 113.54 2vya h ARG 285 Ca -0.28 0.00 -0.13 0.00 0.07 0.00 0.00 59.98 59.64 2vya h ARG 285 Cb 1.24 0.00 -0.11 0.00 0.08 0.00 0.00 29.97 31.18 2vya h ARG 285 CO 0.38 0.00 -0.29 0.16 -1.07 0.00 0.00 179.97 179.15 2vya s ASP 286 N -5.19 0.03 0.21 7.04 3.84 -1.26 -4.59 116.67 116.75 2vya s ASP 286 Ca 0.08 -1.11 -0.02 0.00 -0.00 0.00 0.00 52.55 51.50 2vya s ASP 286 Cb 0.09 0.52 0.18 0.00 -1.38 0.00 0.00 42.92 42.34 2vya s ASP 286 CO 0.65 -1.05 1.57 0.58 -0.00 0.00 0.00 175.17 176.92 2vya h VAL 287 N 2.37 1.30 -0.13 2.11 2.07 -1.93 -3.23 116.25 118.82 2vya h VAL 287 Ca -0.29 -1.61 -0.09 0.00 0.82 0.00 0.00 66.70 65.53 2vya h VAL 287 Cb 1.25 1.58 -0.01 0.00 -1.52 0.00 0.00 31.29 32.59 2vya h VAL 287 CO 0.41 0.51 -0.30 -0.08 0.02 0.00 0.00 177.57 178.13 2vya h GLU 288 N 0.48 0.25 -0.63 1.57 4.57 -1.97 -1.25 114.58 117.59 2vya h GLU 288 Ca 0.04 -0.09 -0.07 0.00 -1.18 0.00 0.00 59.36 58.06 2vya h GLU 288 Cb 0.94 -0.02 -0.03 0.00 -0.16 0.00 0.00 28.75 29.49 2vya h GLU 288 CO 0.08 0.53 0.13 0.77 -1.18 0.00 0.00 179.01 179.35 2vya h SER 289 N 0.22 0.95 -0.56 1.04 0.02 -1.97 -1.54 113.55 111.72 2vya h SER 289 Ca 0.03 -0.20 -0.03 0.00 -0.84 0.00 0.00 61.79 60.75 2vya h SER 289 Cb 0.65 -0.25 -0.03 0.00 0.14 0.00 0.00 62.40 62.91 2vya h SER 289 CO 0.05 0.93 0.23 -0.07 -1.14 0.00 0.00 176.83 176.83 2vya h LEU 290 N 0.95 0.79 0.05 5.07 3.38 -1.28 -2.00 115.31 122.28 2vya h LEU 290 Ca 0.20 -0.11 -0.00 0.00 0.09 0.00 0.00 57.88 58.06 2vya h LEU 290 Cb 0.37 -0.20 0.00 0.00 0.09 0.00 0.00 40.66 40.92 2vya h LEU 290 CO 0.00 0.72 -0.03 0.00 0.09 0.00 0.00 178.44 179.23 2vya h ALA 291 N 1.40 -0.07 -0.37 1.53 0.00 -1.04 -1.34 119.26 119.37 2vya h ALA 291 Ca 0.20 -0.17 0.05 0.00 0.00 0.00 0.00 54.91 54.99 2vya h ALA 291 Cb 0.18 0.03 -0.04 0.00 0.00 0.00 0.00 17.79 17.95 2vya h ALA 291 CO -0.02 -0.37 0.11 1.25 0.00 0.00 0.00 179.25 180.22 2vya h LEU 292 N -0.41 0.09 -0.73 0.00 5.85 -1.24 0.10 115.31 118.97 2vya h LEU 292 Ca -0.01 0.05 0.07 0.00 0.84 0.00 0.00 57.88 58.83 2vya h LEU 292 Cb 0.36 0.05 -0.06 0.00 0.37 0.00 0.00 40.66 41.38 2vya h LEU 292 CO 0.01 0.09 0.42 0.00 -0.34 0.00 0.00 178.44 178.62 2vya h LEU 294 N 0.76 0.59 -0.54 0.00 3.38 -0.39 -0.27 115.31 118.83 2vya h LEU 294 Ca 0.33 -0.24 -0.05 0.00 0.09 0.00 0.00 57.88 58.01 2vya h LEU 294 Cb 0.22 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 40.79 2vya h LEU 294 CO -0.19 0.68 0.15 0.50 0.09 0.00 0.00 178.44 179.66 2vya h LYS 295 N 0.47 0.86 -0.20 1.13 3.64 -0.30 0.55 116.57 122.71 2vya h LYS 295 Ca 0.12 -0.20 -0.01 0.00 -1.27 0.00 0.00 60.65 59.29 2vya h LYS 295 Cb 0.33 -0.12 -0.01 0.00 -0.41 0.00 0.00 32.23 32.02 2vya h LYS 295 CO 0.00 0.80 0.10 0.00 -2.27 0.00 0.00 179.45 178.09 2vya h ALA 296 N 1.02 0.26 -0.49 5.00 0.00 -0.53 -2.96 119.26 121.56 2vya h ALA 296 Ca 0.17 -0.08 -0.05 0.00 0.00 0.00 0.00 54.91 54.96 2vya h ALA 296 Cb 0.31 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.00 2vya h ALA 296 CO -0.00 -0.19 0.12 -0.07 0.00 0.00 0.00 179.25 179.11 2vya h LEU 297 N 0.21 0.74 -7.82 0.00 4.07 -0.80 -3.36 115.31 108.34 2vya h LEU 297 Ca 0.07 -0.23 -0.69 0.00 0.08 0.00 0.00 57.88 57.11 2vya h LEU 297 Cb 0.10 -0.20 -0.10 0.00 1.08 0.00 0.00 40.66 41.55 2vya h LEU 297 CO -0.01 0.78 2.08 0.18 -1.08 0.00 0.00 178.44 180.39 2vya n LEU 298 N -4.47 5.00 -4.06 1.67 4.77 0.19 -4.50 117.00 115.60 2vya n LEU 298 Ca 0.01 -4.01 -0.11 0.00 -0.03 0.00 0.00 56.01 51.87 2vya n LEU 298 Cb 0.22 -1.73 -0.05 0.00 -2.33 0.00 0.00 43.42 39.53 2vya n LEU 298 CO 0.40 0.25 0.11 0.00 -1.33 0.00 0.00 177.39 176.82 2vya h GLU 300 N 2.25 0.53 -0.70 0.00 4.39 -1.93 -1.30 114.58 117.82 2vya h GLU 300 Ca -0.28 -0.03 0.01 0.00 0.34 0.00 0.00 59.36 59.40 2vya h GLU 300 Cb 1.25 -0.12 -0.04 0.00 -0.10 0.00 0.00 28.75 29.74 2vya h GLU 300 CO 0.39 0.35 0.46 0.45 -1.16 0.00 0.00 179.01 179.50 2vya h HIS 301 N 0.54 0.86 0.14 4.33 3.86 -1.96 -1.44 115.15 121.48 2vya h HIS 301 Ca 0.35 0.02 -0.01 0.00 -1.16 0.00 0.00 60.37 59.58 2vya h HIS 301 Cb 0.63 -0.29 0.00 0.00 1.06 0.00 0.00 27.41 28.82 2vya h HIS 301 CO -0.00 0.53 -0.07 1.25 0.86 0.00 0.00 177.93 180.50 2vya h LEU 302 N 0.92 -0.16 -1.72 2.43 5.85 -1.47 -2.43 115.31 118.74 2vya h LEU 302 Ca 0.26 -0.07 -0.02 0.00 0.84 0.00 0.00 57.88 58.90 2vya h LEU 302 Cb -0.08 0.04 -0.00 0.00 0.37 0.00 0.00 40.66 40.99 2vya h LEU 302 CO -0.07 -0.03 -0.07 -0.26 -0.34 0.00 0.00 178.44 177.67 2vya h PHE 303 N -0.27 0.00 0.05 1.25 0.04 -1.17 -0.09 116.94 116.76 2vya h PHE 303 Ca -0.02 0.00 -0.29 0.00 2.80 0.00 0.00 57.97 60.46 2vya h PHE 303 Cb 0.21 0.00 -0.03 0.00 2.20 0.00 0.00 35.95 38.33 2vya h PHE 303 CO -0.04 0.07 -1.57 1.15 -0.60 0.00 0.00 178.31 177.32 2vya h THR 304 N 0.00 1.06 0.02 -1.55 2.02 -1.21 -2.95 112.91 110.29 2vya h THR 304 Ca -0.00 -2.80 -0.21 0.00 0.77 0.00 0.00 66.41 64.17 2vya h THR 304 Cb 0.44 2.61 -0.01 0.00 -1.74 0.00 0.00 68.15 69.45 2vya h THR 304 CO 0.01 0.72 -0.93 -0.07 0.37 0.00 0.00 175.52 175.62 2vya h LEU 305 N 0.03 0.28 -6.66 2.58 3.38 -1.05 -3.39 115.31 110.48 2vya h LEU 305 Ca -0.24 -0.24 -0.60 0.00 0.09 0.00 0.00 57.88 56.89 2vya h LEU 305 Cb 1.98 -0.09 -0.40 0.00 0.09 0.00 0.00 40.66 42.25 2vya h LEU 305 CO 0.12 1.06 -0.81 -0.62 0.09 0.00 0.00 178.44 178.28 2vya s ASP 306 N -6.95 2.83 0.64 -0.43 3.68 -0.08 -4.96 116.67 111.40 2vya s ASP 306 Ca -0.03 -3.38 0.18 0.00 2.13 0.00 0.00 52.55 51.45 2vya s ASP 306 Cb 0.10 -0.93 0.86 0.00 -1.45 0.00 0.00 42.92 41.50 2vya s ASP 306 CO 0.84 -0.14 1.44 -0.65 0.13 0.00 0.00 175.17 176.79 2vya h PRO 307 N 5.56 0.00 0.00 4.34 0.11 -1.72 -1.27 132.00 139.01 2vya h PRO 307 Ca 0.21 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.32 2vya h PRO 307 Cb 0.85 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.96 2vya h PRO 307 CO 0.51 0.00 -0.32 0.25 -0.21 0.00 0.00 178.00 178.23 2vya n THR 308 N -2.96 0.09 -2.93 -1.15 -2.24 -1.26 -4.68 114.28 99.15 2vya n THR 308 Ca 0.06 -0.06 -0.40 0.00 -2.27 0.00 0.00 64.05 61.38 2vya n THR 308 Cb 0.92 -0.10 -0.04 0.00 -2.10 0.00 0.00 70.33 69.00 2vya n THR 308 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 2vya s VAL 309 N -3.03 4.95 0.15 2.28 1.01 -0.48 -5.01 120.40 120.26 2vya s VAL 309 Ca 0.11 1.67 -0.31 0.00 0.00 0.00 0.00 61.98 63.45 2vya s VAL 309 Cb 0.17 -4.14 -0.09 0.00 0.00 0.00 0.00 36.38 32.32 2vya s VAL 309 CO 0.64 0.24 1.43 -2.16 0.00 0.00 0.00 175.10 175.25 2vya s PRO 310 N 0.75 4.30 -1.14 2.72 0.04 -1.26 -4.86 135.00 135.56 2vya s PRO 310 Ca 0.42 2.17 -0.20 0.00 0.04 0.00 0.00 61.00 63.43 2vya s PRO 310 Cb -0.19 -3.20 -0.05 0.00 0.04 0.00 0.00 34.50 31.09 2vya s PRO 310 CO 0.22 -0.46 1.93 -0.35 0.04 0.00 0.00 177.00 178.38 2vya n PRO 311 N 3.65 2.12 -3.55 0.56 -0.04 -1.26 -4.86 135.00 131.62 2vya n PRO 311 Ca 0.11 -2.50 -0.41 0.00 -0.04 0.00 0.00 63.50 60.66 2vya n PRO 311 Cb 0.41 -3.39 -0.09 0.00 -0.04 0.00 0.00 33.50 30.39 2vya n PRO 311 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 2vya s LEU 312 N 5.47 5.29 0.94 1.53 1.43 -1.26 -5.07 118.68 127.01 2vya s LEU 312 Ca 0.59 -1.47 -0.12 0.00 -1.03 0.00 0.00 54.13 52.10 2vya s LEU 312 Cb 0.07 -2.04 0.15 0.00 0.03 0.00 0.00 46.19 44.40 2vya s LEU 312 CO 0.09 -0.57 1.09 -2.16 0.23 0.00 0.00 176.35 175.03 2vya s PRO 313 N 1.48 0.94 -0.54 1.29 0.04 -1.26 -4.90 135.00 132.05 2vya s PRO 313 Ca 0.03 0.71 -0.28 0.00 0.04 0.00 0.00 61.00 61.50 2vya s PRO 313 Cb -0.23 -1.78 0.02 0.00 0.04 0.00 0.00 34.50 32.55 2vya s PRO 313 CO 0.03 -2.43 1.28 0.12 0.04 0.00 0.00 177.00 176.04 2vya s PHE 314 N -2.94 2.52 -0.66 0.56 5.36 -1.26 -4.96 117.98 116.60 2vya s PHE 314 Ca 0.64 0.51 -0.27 0.00 -0.96 0.00 0.00 56.93 56.86 2vya s PHE 314 Cb -0.18 -4.44 -0.00 0.00 -0.34 0.00 0.00 43.02 38.05 2vya s PHE 314 CO 0.57 -1.71 1.66 1.03 -1.46 0.00 0.00 175.22 175.31 2vya s ARG 315 N 5.04 2.82 0.13 10.12 0.52 -1.26 -4.84 118.95 131.48 2vya s ARG 315 Ca 0.49 0.31 -0.11 0.00 -0.52 0.00 0.00 55.73 55.90 2vya s ARG 315 Cb -0.09 -4.32 -0.08 0.00 0.52 0.00 0.00 34.95 30.98 2vya s ARG 315 CO 0.27 -2.53 1.38 1.49 0.02 0.00 0.00 175.30 175.93 2vya h GLU 316 N 13.23 0.81 -0.88 3.54 4.57 -1.99 -2.78 114.58 131.08 2vya h GLU 316 Ca -0.27 -0.56 0.23 0.00 -1.18 0.00 0.00 59.36 57.59 2vya h GLU 316 Cb 1.12 0.09 -0.14 0.00 -0.16 0.00 0.00 28.75 29.66 2vya h GLU 316 CO 1.24 1.19 0.24 0.93 -1.18 0.00 0.00 179.01 181.43 2vya h GLU 317 N 0.59 0.21 -0.08 1.92 3.07 -1.97 0.74 114.58 119.06 2vya h GLU 317 Ca -0.01 -0.01 -0.11 0.00 -0.50 0.00 0.00 59.36 58.72 2vya h GLU 317 Cb 1.24 -0.05 0.01 0.00 -0.84 0.00 0.00 28.75 29.11 2vya h GLU 317 CO 0.13 0.14 -0.39 0.28 -1.40 0.00 0.00 179.01 177.77 2vya h VAL 318 N 0.22 1.40 -0.07 3.13 2.07 -1.91 -1.30 116.25 119.79 2vya h VAL 318 Ca 0.55 -1.77 0.03 0.00 0.82 0.00 0.00 66.70 66.34 2vya h VAL 318 Cb 1.11 2.27 -0.04 0.00 -1.52 0.00 0.00 31.29 33.11 2vya h VAL 318 CO -0.65 0.52 -0.14 0.22 0.02 0.00 0.00 177.57 177.54 2vya h TYR 319 N -0.04 -0.37 0.00 1.57 3.20 -1.01 -2.51 116.97 117.81 2vya h TYR 319 Ca -0.03 0.02 0.00 0.00 3.14 0.00 0.00 58.73 61.86 2vya h TYR 319 Cb 1.04 0.18 0.00 0.00 1.54 0.00 0.00 36.73 39.49 2vya h TYR 319 CO 0.12 -0.21 0.00 0.00 -1.64 0.00 0.00 178.16 176.43 2vya h ARG 320 N -0.20 0.00 -6.79 1.82 2.47 0.41 -3.41 114.38 108.68 2vya h ARG 320 Ca 0.07 0.00 -0.57 0.00 -1.26 0.00 0.00 59.98 58.22 2vya h ARG 320 Cb 0.31 0.00 0.13 0.00 -1.65 0.00 0.00 29.97 28.76 2vya h ARG 320 CO -0.19 0.00 0.36 0.45 0.56 0.00 0.00 179.97 181.15 2vya n SER 321 N -2.38 1.97 -2.42 7.04 2.88 -0.49 -4.95 113.62 115.27 2vya n SER 321 Ca 0.02 1.04 0.01 0.00 -1.33 0.00 0.00 58.87 58.61 2vya n SER 321 Cb 0.25 -1.45 0.04 0.00 -0.75 0.00 0.00 64.21 62.30 2vya n SER 321 CO 0.00 0.00 0.00 -1.54 -1.23 0.00 0.00 175.04 172.27 2vya n SER 322 N 0.09 1.45 -4.93 -3.46 3.41 -1.26 -5.00 113.62 103.92 2vya n SER 322 Ca 0.09 -2.05 -0.26 0.00 -0.26 0.00 0.00 58.87 56.39 2vya n SER 322 Cb 0.41 -0.43 -0.02 0.00 -0.26 0.00 0.00 64.21 63.91 2vya n SER 322 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2vya s ARG 323 N -2.67 3.53 0.29 4.33 3.03 -1.26 -5.04 118.95 121.15 2vya s ARG 323 Ca 0.29 -0.19 -0.28 0.00 2.03 0.00 0.00 55.73 57.58 2vya s ARG 323 Cb 0.34 -2.64 -0.14 0.00 -1.03 0.00 0.00 34.95 31.48 2vya s ARG 323 CO -0.08 0.14 1.06 -2.30 -1.13 0.00 0.00 175.30 173.00 2vya n PRO 324 N -1.54 1.45 -4.21 3.89 -0.02 -1.26 -4.99 135.00 128.31 2vya n PRO 324 Ca -0.03 0.51 -0.29 0.00 -2.02 0.00 0.00 63.50 61.66 2vya n PRO 324 Cb 0.55 -1.92 -0.09 0.00 -0.02 0.00 0.00 33.50 32.02 2vya n PRO 324 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 2vya s LEU 325 N 0.29 3.13 -0.49 2.45 1.43 -1.26 -5.00 118.68 119.24 2vya s LEU 325 Ca 0.59 -0.37 -0.19 0.00 -1.03 0.00 0.00 54.13 53.14 2vya s LEU 325 Cb -0.69 -1.90 0.05 0.00 0.03 0.00 0.00 46.19 43.68 2vya s LEU 325 CO 0.59 0.16 0.58 -0.13 0.23 0.00 0.00 176.35 177.78 2vya s ARG 326 N -2.35 3.11 -0.38 1.70 0.52 -1.26 -1.96 118.95 118.32 2vya s ARG 326 Ca 0.23 -0.90 -0.09 0.00 -0.52 0.00 0.00 55.73 54.45 2vya s ARG 326 Cb -0.11 -4.08 0.05 0.00 0.52 0.00 0.00 34.95 31.34 2vya s ARG 326 CO 0.15 -1.14 0.20 0.08 0.02 0.00 0.00 175.30 174.61 2vya s VAL 327 N 2.46 4.18 0.70 3.52 1.01 0.07 0.24 120.40 132.58 2vya s VAL 327 Ca 0.14 -1.19 -0.14 0.00 0.00 0.00 0.00 61.98 60.79 2vya s VAL 327 Cb -0.19 -3.45 0.02 0.00 0.00 0.00 0.00 36.38 32.76 2vya s VAL 327 CO 0.12 -0.34 1.11 -0.83 0.00 0.00 0.00 175.10 175.16 2vya s GLY 328 N 1.75 2.03 0.03 4.51 0.00 -0.29 -0.59 107.32 114.75 2vya s GLY 328 Ca 0.01 0.49 -0.22 0.00 0.00 0.00 0.00 44.72 45.00 2vya s GLY 328 CO 0.03 0.85 0.51 -2.52 0.00 0.00 0.00 173.10 171.97 2vya s TYR 329 N -2.48 -0.41 0.01 1.90 -0.85 0.04 -0.52 117.35 115.05 2vya s TYR 329 Ca 0.66 0.51 0.01 0.00 -0.52 0.00 0.00 57.07 57.72 2vya s TYR 329 Cb -0.20 0.31 -0.01 0.00 0.38 0.00 0.00 41.96 42.43 2vya s TYR 329 CO 0.46 -0.60 -0.03 1.52 -1.52 0.00 0.00 175.55 175.37 2vya s TYR 330 N -2.16 0.28 -0.16 -3.49 1.13 -1.11 -1.69 117.35 110.16 2vya s TYR 330 Ca -0.07 -0.31 0.17 0.00 -1.41 0.00 0.00 57.07 55.45 2vya s TYR 330 Cb -0.01 -0.19 -0.01 0.00 -1.10 0.00 0.00 41.96 40.66 2vya s TYR 330 CO 0.00 -0.09 1.18 0.93 -2.51 0.00 0.00 175.55 175.07 2vya h GLU 331 N 5.25 0.00 -2.71 -3.49 5.08 -1.93 -3.34 114.58 113.45 2vya h GLU 331 Ca -0.30 0.00 -0.11 0.00 -1.00 0.00 0.00 59.36 57.95 2vya h GLU 331 Cb 1.21 0.00 -0.22 0.00 0.50 0.00 0.00 28.75 30.23 2vya h GLU 331 CO 0.45 0.36 -0.18 -0.08 -1.00 0.00 0.00 179.01 178.56 2vya s THR 332 N -2.99 0.02 -1.61 1.13 -1.32 -1.26 -4.75 115.64 104.85 2vya s THR 332 Ca 0.01 -0.14 0.12 0.00 -1.21 0.00 0.00 61.69 60.47 2vya s THR 332 Cb 0.08 -0.65 0.40 0.00 -1.51 0.00 0.00 72.50 70.82 2vya s THR 332 CO 0.77 -0.08 1.29 -0.90 -2.21 0.00 0.00 174.62 173.49 2vya n ASP 333 N 2.19 2.66 -3.66 8.08 3.85 -1.26 -4.92 116.55 123.49 2vya n ASP 333 Ca -0.16 -2.14 -0.27 0.00 -0.71 0.00 0.00 54.79 51.50 2vya n ASP 333 Cb 0.57 -0.37 -0.02 0.00 -1.35 0.00 0.00 41.12 39.94 2vya n ASP 333 CO 0.00 0.00 0.00 0.59 -1.01 0.00 0.00 177.20 176.78 2vya n ASN 334 N 0.64 -2.98 0.12 -1.12 3.02 -1.26 -4.72 115.26 108.96 2vya n ASN 334 Ca 0.15 -0.57 0.00 0.00 -0.03 0.00 0.00 54.58 54.12 2vya n ASN 334 Cb 0.48 -2.50 0.00 0.00 -0.61 0.00 0.00 39.78 37.15 2vya n ASN 334 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2vya n TYR 335 N -3.89 -2.05 -3.56 3.10 4.19 -1.26 -4.99 117.16 108.70 2vya n TYR 335 Ca 0.03 0.36 -0.41 0.00 3.31 0.00 0.00 57.90 61.20 2vya n TYR 335 Cb 0.51 0.50 -0.11 0.00 0.49 0.00 0.00 39.34 40.73 2vya n TYR 335 CO 0.00 0.00 0.00 0.99 0.91 0.00 0.00 176.86 178.76 2vya s THR 336 N -1.91 4.83 0.04 2.97 2.01 -1.26 -4.50 115.64 117.82 2vya s THR 336 Ca 0.00 -0.70 -0.37 0.00 0.31 0.00 0.00 61.69 60.93 2vya s THR 336 Cb 0.00 -3.65 -0.16 0.00 0.01 0.00 0.00 72.50 68.70 2vya s THR 336 CO 0.00 -0.20 1.46 0.80 -0.69 0.00 0.00 174.62 175.99 2vya n MET 337 N 5.05 1.36 -1.49 4.92 1.56 -1.26 -4.44 117.12 122.81 2vya n MET 337 Ca -0.12 0.49 -0.32 0.00 -0.27 0.00 0.00 57.70 57.48 2vya n MET 337 Cb 0.47 -2.17 0.07 0.00 2.15 0.00 0.00 33.22 33.74 2vya n MET 337 CO 0.00 0.00 0.00 -1.25 -0.73 0.00 0.00 175.97 173.99 2vya s PRO 338 N 1.15 2.47 0.67 2.12 0.04 -1.26 -4.97 135.00 135.22 2vya s PRO 338 Ca 0.86 1.32 -0.12 0.00 0.04 0.00 0.00 61.00 63.10 2vya s PRO 338 Cb -0.91 -1.91 -0.00 0.00 0.04 0.00 0.00 34.50 31.71 2vya s PRO 338 CO 0.48 -1.50 1.06 -1.54 0.04 0.00 0.00 177.00 175.55 2vya s SER 339 N -2.90 5.44 0.25 6.66 1.04 -1.26 -4.91 113.70 118.01 2vya s SER 339 Ca 0.65 1.68 -0.04 0.00 0.48 0.00 0.00 55.95 58.72 2vya s SER 339 Cb -0.20 -2.51 0.42 0.00 0.10 0.00 0.00 66.02 63.84 2vya s SER 339 CO 0.48 -1.40 1.79 -0.65 0.98 0.00 0.00 173.24 174.44 2vya h PRO 340 N -0.44 0.70 -0.99 4.02 0.11 -1.92 -1.95 132.00 131.52 2vya h PRO 340 Ca -0.45 -0.04 0.06 0.00 0.11 0.00 0.00 66.00 65.69 2vya h PRO 340 Cb 1.21 -0.16 -0.07 0.00 0.11 0.00 0.00 31.00 32.10 2vya h PRO 340 CO 0.57 0.46 0.64 0.00 -0.21 0.00 0.00 178.00 179.46 2vya h ALA 341 N 1.47 1.42 0.01 -0.75 0.00 -1.91 -1.18 119.26 118.32 2vya h ALA 341 Ca 0.40 -0.03 -0.00 0.00 0.00 0.00 0.00 54.91 55.29 2vya h ALA 341 Cb 0.43 -0.31 0.00 0.00 0.00 0.00 0.00 17.79 17.91 2vya h ALA 341 CO -0.28 0.44 -0.00 0.52 0.00 0.00 0.00 179.25 179.93 2vya h MET 342 N 1.16 -0.01 -0.18 0.00 2.86 -1.60 -2.14 114.93 115.01 2vya h MET 342 Ca 0.42 0.00 -0.09 0.00 -2.06 0.00 0.00 59.70 57.98 2vya h MET 342 Cb 0.16 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 31.81 2vya h MET 342 CO -0.17 0.17 -0.27 -0.09 1.06 0.00 0.00 176.91 177.61 2vya h ARG 343 N -0.19 0.34 -0.05 1.72 2.43 -1.22 -0.24 114.38 117.17 2vya h ARG 343 Ca -0.00 -0.13 -0.00 0.00 -0.81 0.00 0.00 59.98 59.04 2vya h ARG 343 Cb 0.19 -0.02 -0.00 0.00 -0.42 0.00 0.00 29.97 29.72 2vya h ARG 343 CO 0.00 0.59 0.02 -0.09 -1.51 0.00 0.00 179.97 178.99 2vya h ARG 344 N 0.30 0.07 -0.78 0.20 2.43 -1.22 0.13 114.38 115.51 2vya h ARG 344 Ca 0.04 -0.01 0.13 0.00 -0.81 0.00 0.00 59.98 59.34 2vya h ARG 344 Cb 0.65 -0.01 -0.09 0.00 -0.42 0.00 0.00 29.97 30.10 2vya h ARG 344 CO 0.05 0.17 0.37 0.00 -1.51 0.00 0.00 179.97 179.05 2vya h ALA 345 N 0.89 1.13 0.00 2.80 0.00 -0.82 0.11 119.26 123.36 2vya h ALA 345 Ca 0.02 0.09 -0.07 0.00 0.00 0.00 0.00 54.91 54.94 2vya h ALA 345 Cb 0.13 0.01 0.01 0.00 0.00 0.00 0.00 17.79 17.94 2vya h ALA 345 CO -0.00 -0.12 -0.28 1.25 0.00 0.00 0.00 179.25 180.10 2vya h LEU 346 N 0.56 0.25 0.18 0.00 7.12 -0.81 -2.22 115.31 120.38 2vya h LEU 346 Ca 0.42 -0.78 -0.01 0.00 0.13 0.00 0.00 57.88 57.64 2vya h LEU 346 Cb 0.57 -0.08 -0.00 0.00 -0.53 0.00 0.00 40.66 40.62 2vya h LEU 346 CO -0.35 1.00 -0.10 0.40 -0.13 0.00 0.00 178.44 179.26 2vya h ILE 347 N -0.48 0.79 -0.67 4.05 2.04 -0.51 -1.35 117.51 121.37 2vya h ILE 347 Ca -0.04 0.00 0.09 0.00 1.00 0.00 0.00 64.86 65.91 2vya h ILE 347 Cb 1.04 0.79 -0.07 0.00 -0.74 0.00 0.00 36.82 37.84 2vya h ILE 347 CO 0.06 0.00 0.32 -0.33 0.00 0.00 0.00 178.15 178.20 2vya h GLU 348 N -0.26 0.54 0.00 2.37 5.08 -0.88 0.12 114.58 121.55 2vya h GLU 348 Ca -0.02 -0.03 0.02 0.00 -1.00 0.00 0.00 59.36 58.32 2vya h GLU 348 Cb 0.21 -0.12 -0.02 0.00 0.50 0.00 0.00 28.75 29.32 2vya h GLU 348 CO 0.03 0.36 -0.09 1.15 -1.00 0.00 0.00 179.01 179.45 2vya h THR 349 N 0.56 0.77 -0.48 1.13 2.02 -1.30 -1.33 112.91 114.28 2vya h THR 349 Ca 0.33 0.00 0.10 0.00 0.77 0.00 0.00 66.41 67.61 2vya h THR 349 Cb 0.35 0.77 -0.09 0.00 -1.74 0.00 0.00 68.15 67.44 2vya h THR 349 CO -0.27 0.00 -0.10 0.50 0.37 0.00 0.00 175.52 176.02 2vya h LYS 350 N -0.16 0.01 -0.23 6.66 3.64 -0.37 -0.29 116.57 125.83 2vya h LYS 350 Ca 0.03 -0.00 -0.06 0.00 -1.27 0.00 0.00 60.65 59.36 2vya h LYS 350 Cb 0.20 -0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.00 2vya h LYS 350 CO -0.09 0.01 -0.11 1.96 -2.27 0.00 0.00 179.45 178.95 2vya h GLN 351 N 0.01 0.37 -0.16 1.90 4.20 -0.56 -1.01 115.11 119.86 2vya h GLN 351 Ca 0.23 -0.09 -0.13 0.00 0.06 0.00 0.00 58.65 58.72 2vya h GLN 351 Cb 0.35 -0.05 0.00 0.00 0.30 0.00 0.00 27.48 28.09 2vya h GLN 351 CO -0.48 0.49 -0.39 0.00 -0.67 0.00 0.00 178.83 177.78 2vya h ARG 352 N 0.35 0.55 -0.94 1.46 2.47 -0.39 -1.12 114.38 116.77 2vya h ARG 352 Ca 0.07 -0.38 0.04 0.00 -1.26 0.00 0.00 59.98 58.45 2vya h ARG 352 Cb 0.42 0.05 -0.06 0.00 -1.65 0.00 0.00 29.97 28.73 2vya h ARG 352 CO 0.02 0.99 0.61 -0.07 0.56 0.00 0.00 179.97 182.09 2vya h LEU 353 N 0.20 1.01 0.23 3.04 3.38 -0.60 -0.50 115.31 122.07 2vya h LEU 353 Ca -0.00 -0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.95 2vya h LEU 353 Cb 1.00 -0.22 0.00 0.00 0.09 0.00 0.00 40.66 41.53 2vya h LEU 353 CO 0.09 0.68 -0.11 -0.33 0.09 0.00 0.00 178.44 178.86 2vya h GLU 354 N 1.17 -0.30 -0.98 1.13 5.08 -1.20 -1.21 114.58 118.28 2vya h GLU 354 Ca 0.38 0.02 0.32 0.00 -1.00 0.00 0.00 59.36 59.09 2vya h GLU 354 Cb 0.03 0.07 -0.17 0.00 0.50 0.00 0.00 28.75 29.18 2vya h GLU 354 CO -0.13 -0.14 0.31 0.00 -1.00 0.00 0.00 179.01 178.05 2vya h ALA 355 N 0.36 1.64 -0.01 3.43 0.00 -0.72 0.16 119.26 124.13 2vya h ALA 355 Ca -0.03 0.28 0.00 0.00 0.00 0.00 0.00 54.91 55.16 2vya h ALA 355 Cb 0.30 0.40 0.00 0.00 0.00 0.00 0.00 17.79 18.49 2vya h ALA 355 CO 0.05 -0.69 -0.02 0.00 0.00 0.00 0.00 179.25 178.59 2vya n ALA 356 N -2.65 2.66 -0.21 0.00 0.00 -0.24 -4.90 120.51 115.18 2vya n ALA 356 Ca 0.29 -0.29 0.00 0.00 0.00 0.00 0.00 53.44 53.44 2vya n ALA 356 Cb 0.96 -1.38 0.00 0.00 0.00 0.00 0.00 19.45 19.03 2vya n ALA 356 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2vya n GLY 357 N 1.10 0.89 3.88 0.00 0.00 0.05 -5.02 105.19 106.09 2vya n GLY 357 Ca 0.21 -0.09 -0.32 0.00 0.00 0.00 0.00 46.02 45.82 2vya n GLY 357 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2vya s HIS 358 N -2.00 3.46 -0.24 1.61 3.76 -0.50 -4.69 115.29 116.67 2vya s HIS 358 Ca 0.00 0.72 -0.20 0.00 -0.15 0.00 0.00 55.06 55.44 2vya s HIS 358 Cb 0.00 -2.14 -0.02 0.00 1.11 0.00 0.00 32.58 31.53 2vya s HIS 358 CO 0.00 0.36 0.59 0.99 -0.85 0.00 0.00 174.74 175.82 2vya s THR 359 N -1.72 5.02 -0.26 1.30 2.01 -0.83 -4.01 115.64 117.15 2vya s THR 359 Ca 0.44 1.05 -0.09 0.00 0.31 0.00 0.00 61.69 63.41 2vya s THR 359 Cb -0.12 -3.90 -0.04 0.00 0.01 0.00 0.00 72.50 68.46 2vya s THR 359 CO 0.23 0.07 0.11 -0.76 -0.69 0.00 0.00 174.62 173.58 2vya s LEU 360 N 2.28 3.64 -0.19 4.42 2.01 -1.26 -0.75 118.68 128.82 2vya s LEU 360 Ca 0.25 -0.14 0.01 0.00 0.01 0.00 0.00 54.13 54.25 2vya s LEU 360 Cb -0.16 -1.99 0.02 0.00 0.01 0.00 0.00 46.19 44.07 2vya s LEU 360 CO 0.09 -0.04 -0.17 -0.63 1.01 0.00 0.00 176.35 176.61 2vya s ILE 361 N 1.66 2.25 0.17 -0.59 1.01 0.24 -4.99 121.20 120.95 2vya s ILE 361 Ca 0.07 -0.95 -0.33 0.00 0.00 0.00 0.00 60.65 59.43 2vya s ILE 361 Cb -0.15 -1.99 -0.15 0.00 0.01 0.00 0.00 42.46 40.17 2vya s ILE 361 CO 0.06 0.46 1.29 -2.65 0.00 0.00 0.00 174.94 174.10 2vya n PRO 362 N 4.63 1.43 -3.65 2.79 -0.02 -1.26 -0.78 135.00 138.14 2vya n PRO 362 Ca -0.20 0.51 -0.11 0.00 -2.02 0.00 0.00 63.50 61.69 2vya n PRO 362 Cb 0.49 -2.10 -0.08 0.00 -0.02 0.00 0.00 33.50 31.80 2vya n PRO 362 CO 0.00 0.00 0.00 0.12 1.98 0.00 0.00 175.50 177.60 2vya s PHE 363 N 0.06 -0.87 -0.15 6.00 2.19 -0.68 -4.77 117.98 119.77 2vya s PHE 363 Ca 0.75 1.91 -0.04 0.00 0.33 0.00 0.00 56.93 59.88 2vya s PHE 363 Cb -0.81 0.42 0.07 0.00 -1.31 0.00 0.00 43.02 41.38 2vya s PHE 363 CO 0.49 -0.43 0.19 -1.17 1.83 0.00 0.00 175.22 176.14 2vya s LEU 364 N 0.97 -0.08 0.10 6.12 2.96 -1.26 -3.98 118.68 123.52 2vya s LEU 364 Ca -0.05 0.06 -0.35 0.00 -0.22 0.00 0.00 54.13 53.57 2vya s LEU 364 Cb -0.05 0.32 -0.17 0.00 0.50 0.00 0.00 46.19 46.79 2vya s LEU 364 CO -0.09 -0.29 1.09 -2.65 -1.32 0.00 0.00 176.35 173.09 2vya n PRO 365 N 5.32 0.63 -2.29 0.98 -0.02 -1.26 -4.90 135.00 133.47 2vya n PRO 365 Ca -0.05 0.23 -0.35 0.00 -2.02 0.00 0.00 63.50 61.30 2vya n PRO 365 Cb 0.50 -1.69 -0.00 0.00 -0.02 0.00 0.00 33.50 32.28 2vya n PRO 365 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 2vya s ASN 366 N -0.03 5.84 -1.28 2.55 2.20 -1.26 -4.14 114.94 118.81 2vya s ASN 366 Ca 0.80 2.17 -0.01 0.00 -0.94 0.00 0.00 52.86 54.88 2vya s ASN 366 Cb -1.02 -2.58 -0.00 0.00 -2.00 0.00 0.00 41.25 35.65 2vya s ASN 366 CO 0.53 -1.14 0.72 0.59 -2.94 0.00 0.00 177.10 174.86 2vya n ASN 367 N -1.17 -1.58 -0.16 3.54 3.02 -1.26 -4.91 115.26 112.74 2vya n ASN 367 Ca 0.11 -0.82 -0.09 0.00 -0.03 0.00 0.00 54.58 53.75 2vya n ASN 367 Cb 0.51 -4.10 0.00 0.00 -0.61 0.00 0.00 39.78 35.58 2vya n ASN 367 CO 0.00 0.00 0.00 0.40 -2.62 0.00 0.00 177.26 175.04 2vya h ILE 368 N -1.84 1.22 -0.55 2.41 2.04 -1.95 -1.72 117.51 117.13 2vya h ILE 368 Ca -0.61 -0.73 0.11 0.00 1.00 0.00 0.00 64.86 64.62 2vya h ILE 368 Cb 1.36 0.83 -0.09 0.00 -0.74 0.00 0.00 36.82 38.18 2vya h ILE 368 CO 0.55 0.26 0.02 -0.65 0.00 0.00 0.00 178.15 178.34 2vya h PRO 369 N 0.61 0.14 -0.39 2.37 0.11 -1.94 -0.19 132.00 132.70 2vya h PRO 369 Ca 0.15 -0.01 0.07 0.00 0.11 0.00 0.00 66.00 66.32 2vya h PRO 369 Cb 0.26 -0.03 -0.06 0.00 0.11 0.00 0.00 31.00 31.27 2vya h PRO 369 CO -0.01 0.09 -0.01 -0.92 -0.21 0.00 0.00 178.00 176.95 2vya h TYR 370 N 0.14 -0.04 -0.69 0.65 3.20 -1.92 0.32 116.97 118.63 2vya h TYR 370 Ca 0.28 0.03 0.04 0.00 3.14 0.00 0.00 58.73 62.22 2vya h TYR 370 Cb 0.43 0.08 -0.05 0.00 1.54 0.00 0.00 36.73 38.73 2vya h TYR 370 CO -0.32 -0.08 0.42 0.00 -1.64 0.00 0.00 178.16 176.54 2vya h ALA 371 N 1.34 0.91 0.00 1.82 0.00 -0.29 -0.04 119.26 123.00 2vya h ALA 371 Ca 0.19 -0.01 -0.05 0.00 0.00 0.00 0.00 54.91 55.03 2vya h ALA 371 Cb 0.27 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.85 2vya h ALA 371 CO -0.33 0.17 -0.30 -0.07 0.00 0.00 0.00 179.25 178.73 2vya h LEU 372 N 0.82 0.00 -0.04 0.00 3.38 -0.91 -0.89 115.31 117.67 2vya h LEU 372 Ca 0.29 -0.80 -0.26 0.00 0.09 0.00 0.00 57.88 57.20 2vya h LEU 372 Cb 0.06 0.00 0.01 0.00 0.09 0.00 0.00 40.66 40.82 2vya h LEU 372 CO -0.12 1.07 -1.07 -0.33 0.09 0.00 0.00 178.44 178.08 2vya h GLU 373 N -1.00 0.51 0.00 1.13 5.08 -0.39 -2.51 114.58 117.40 2vya h GLU 373 Ca -0.08 -0.60 -0.33 0.00 -1.00 0.00 0.00 59.36 57.35 2vya h GLU 373 Cb 0.99 0.18 -0.05 0.00 0.50 0.00 0.00 28.75 30.38 2vya h GLU 373 CO -0.05 1.23 -2.09 1.33 -1.00 0.00 0.00 179.01 178.43 2vya n VAL 374 N -3.76 1.07 0.22 3.13 0.24 -0.10 -4.44 118.33 114.70 2vya n VAL 374 Ca -0.09 -0.28 -0.10 0.00 -2.04 0.00 0.00 64.34 61.82 2vya n VAL 374 Cb 0.90 -1.72 -0.05 0.00 -1.47 0.00 0.00 33.84 31.51 2vya n VAL 374 CO 0.00 0.00 0.00 -0.07 -2.14 0.00 0.00 176.83 174.62 2vya h LEU 375 N -0.65 -0.54 0.20 1.34 3.38 -1.41 -2.08 115.31 115.56 2vya h LEU 375 Ca -0.49 0.02 -0.01 0.00 0.09 0.00 0.00 57.88 57.49 2vya h LEU 375 Cb 1.45 0.14 0.00 0.00 0.09 0.00 0.00 40.66 42.34 2vya h LEU 375 CO -0.28 -0.12 -0.10 0.28 0.09 0.00 0.00 178.44 178.31 2vya h SER 376 N -1.17 -0.23 -0.51 -0.43 0.02 -1.26 -0.30 113.55 109.68 2vya h SER 376 Ca -0.06 -0.25 0.05 0.00 -0.84 0.00 0.00 61.79 60.69 2vya h SER 376 Cb 0.49 0.06 -0.05 0.00 0.14 0.00 0.00 62.40 63.04 2vya h SER 376 CO 0.11 0.16 0.23 0.74 -1.14 0.00 0.00 176.83 176.93 2vya h THR 377 N -0.66 0.91 -0.69 -2.27 2.02 -1.63 0.14 112.91 110.73 2vya h THR 377 Ca -0.03 -0.16 -0.06 0.00 0.77 0.00 0.00 66.41 66.94 2vya h THR 377 Cb 0.47 0.42 -0.03 0.00 -1.74 0.00 0.00 68.15 67.27 2vya h THR 377 CO 0.05 0.08 0.21 1.23 0.37 0.00 0.00 175.52 177.46 2vya h GLY 378 N 0.45 1.15 1.21 2.16 0.00 -1.25 -0.03 103.07 106.76 2vya h GLY 378 Ca 0.23 -0.68 -0.22 0.00 0.00 0.00 0.00 47.33 46.66 2vya h GLY 378 CO -0.19 0.64 -0.75 -1.33 0.00 0.00 0.00 176.54 174.91 2vya h GLY 379 N 1.01 0.86 1.60 4.60 0.00 -0.86 0.21 103.07 110.49 2vya h GLY 379 Ca 0.22 -1.19 -0.08 0.00 0.00 0.00 0.00 47.33 46.28 2vya h GLY 379 CO -0.01 1.06 -0.20 1.41 0.00 0.00 0.00 176.54 178.80 2vya h LEU 380 N 0.54 0.47 -4.14 3.11 3.38 -0.59 -3.32 115.31 114.76 2vya h LEU 380 Ca -0.04 -0.14 -0.41 0.00 0.09 0.00 0.00 57.88 57.38 2vya h LEU 380 Cb 1.37 -0.13 -0.39 0.00 0.09 0.00 0.00 40.66 41.61 2vya h LEU 380 CO 0.15 0.68 -0.89 0.49 0.09 0.00 0.00 178.44 178.96 2vya n PHE 381 N -4.16 2.02 -0.03 1.13 3.72 -0.04 -4.83 117.46 115.27 2vya n PHE 381 Ca -0.00 -2.08 0.16 0.00 -0.05 0.00 0.00 57.45 55.48 2vya n PHE 381 Cb 0.37 -0.30 0.60 0.00 -0.94 0.00 0.00 39.48 39.21 2vya n PHE 381 CO 0.00 0.00 0.00 0.77 -0.05 0.00 0.00 176.76 177.48 2vya h SER 382 N 2.17 0.18 -0.58 4.37 0.02 -0.68 -0.71 113.55 118.32 2vya h SER 382 Ca 0.18 0.01 0.00 0.00 -0.84 0.00 0.00 61.79 61.13 2vya h SER 382 Cb 1.44 -0.03 0.00 0.00 0.14 0.00 0.00 62.40 63.95 2vya h SER 382 CO 0.52 0.10 0.00 -0.90 -1.14 0.00 0.00 176.83 175.41 2vya n ASP 383 N -4.43 5.10 0.00 3.07 5.75 -1.26 -1.47 116.55 123.30 2vya n ASP 383 Ca 0.10 -2.69 0.00 0.00 -0.01 0.00 0.00 54.79 52.19 2vya n ASP 383 Cb 0.48 -0.63 0.00 0.00 -1.03 0.00 0.00 41.12 39.94 2vya n ASP 383 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2vya n GLY 384 N 0.81 0.76 0.69 6.12 0.00 -0.27 -3.05 105.19 110.26 2vya n GLY 384 Ca 0.26 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.28 2vya n GLY 384 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2vya n GLY 385 N -2.00 0.81 0.16 -0.02 0.00 -1.26 -4.80 105.19 98.08 2vya n GLY 385 Ca 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 45.96 2vya n GLY 385 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 2vya h ARG 386 N 3.20 0.29 -0.44 1.61 9.65 -1.90 0.28 114.38 127.08 2vya h ARG 386 Ca 0.00 -0.02 -0.11 0.00 -1.10 0.00 0.00 59.98 58.76 2vya h ARG 386 Cb 0.00 -0.07 -0.02 0.00 -1.39 0.00 0.00 29.97 28.50 2vya h ARG 386 CO 0.00 0.19 -0.15 0.77 2.80 0.00 0.00 179.97 183.58 2vya h SER 387 N 0.30 0.83 -0.10 -3.80 0.02 -1.94 -2.49 113.55 106.37 2vya h SER 387 Ca 0.16 -0.27 -0.06 0.00 -0.84 0.00 0.00 61.79 60.78 2vya h SER 387 Cb 0.12 -0.22 0.00 0.00 0.14 0.00 0.00 62.40 62.44 2vya h SER 387 CO -0.15 0.98 -0.19 0.15 -1.14 0.00 0.00 176.83 176.48 2vya h PHE 388 N 0.74 0.38 -0.26 3.45 3.57 -1.76 -3.16 116.94 119.89 2vya h PHE 388 Ca 0.11 -0.14 0.08 0.00 3.53 0.00 0.00 57.97 61.55 2vya h PHE 388 Cb 0.66 -0.07 -0.01 0.00 2.79 0.00 0.00 35.95 39.32 2vya h PHE 388 CO 0.04 0.80 0.19 -0.07 -2.23 0.00 0.00 178.31 177.03 2vya h LEU 389 N -0.14 0.00 -0.96 0.59 3.38 -0.34 -2.00 115.31 115.84 2vya h LEU 389 Ca 0.00 0.00 0.16 0.00 0.09 0.00 0.00 57.88 58.14 2vya h LEU 389 Cb 0.77 0.00 -0.10 0.00 0.09 0.00 0.00 40.66 41.43 2vya h LEU 389 CO 0.04 0.00 0.56 -0.61 0.09 0.00 0.00 178.44 178.52 2vya h GLN 390 N 0.00 0.74 0.00 1.13 5.75 -1.41 -1.57 115.11 119.76 2vya h GLN 390 Ca 0.13 -0.04 0.00 0.00 -0.15 0.00 0.00 58.65 58.58 2vya h GLN 390 Cb 0.51 -0.17 0.00 0.00 1.07 0.00 0.00 27.48 28.89 2vya h GLN 390 CO -0.00 0.49 0.00 -0.91 -2.65 0.00 0.00 178.83 175.76 2vya h ASN 391 N 0.76 0.00 -0.00 -0.69 2.35 -1.51 -2.82 115.58 113.67 2vya h ASN 391 Ca 0.53 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 56.28 2vya h ASN 391 Cb 0.75 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.12 2vya h ASN 391 CO -0.36 0.00 -0.71 0.49 -1.65 0.00 0.00 177.43 175.20 2vya n PHE 392 N -2.46 0.00 -1.66 1.19 3.72 -0.59 -4.78 117.46 112.88 2vya n PHE 392 Ca -0.01 0.00 -0.44 0.00 -0.05 0.00 0.00 57.45 56.95 2vya n PHE 392 Cb 0.08 0.00 -0.04 0.00 -0.94 0.00 0.00 39.48 38.59 2vya n PHE 392 CO 0.00 0.00 0.00 1.63 -0.05 0.00 0.00 176.76 178.34 2vya n LYS 393 N -1.14 2.59 0.00 -1.08 5.02 -1.07 -1.76 118.16 120.72 2vya n LYS 393 Ca 0.04 0.94 0.00 0.00 -2.02 0.00 0.00 58.31 57.27 2vya n LYS 393 Cb 0.28 -2.90 0.00 0.00 -0.02 0.00 0.00 35.03 32.39 2vya n LYS 393 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2vya n GLY 394 N 4.60 2.84 3.93 0.72 0.00 -1.26 -5.01 105.19 111.01 2vya n GLY 394 Ca 0.22 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.99 2vya n GLY 394 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2vya s ASP 395 N -1.47 6.18 0.70 1.61 -1.08 -0.72 -4.48 116.67 117.41 2vya s ASP 395 Ca 0.00 0.58 -0.13 0.00 -0.52 0.00 0.00 52.55 52.48 2vya s ASP 395 Cb 0.00 -2.00 0.02 0.00 -1.46 0.00 0.00 42.92 39.47 2vya s ASP 395 CO 0.00 -0.48 1.09 -0.36 0.52 0.00 0.00 175.17 175.94 2vya s PHE 396 N -2.51 2.72 -0.28 -5.34 0.40 -1.26 -5.01 117.98 106.70 2vya s PHE 396 Ca 0.44 1.53 -0.06 0.00 -0.60 0.00 0.00 56.93 58.24 2vya s PHE 396 Cb -0.10 -3.06 0.01 0.00 0.51 0.00 0.00 43.02 40.38 2vya s PHE 396 CO 0.39 -1.59 0.04 0.54 0.70 0.00 0.00 175.22 175.31 2vya s VAL 397 N -2.67 3.77 0.32 -0.44 0.11 -1.26 -4.97 120.40 115.26 2vya s VAL 397 Ca 0.63 -0.67 -0.29 0.00 -2.93 0.00 0.00 61.98 58.71 2vya s VAL 397 Cb -0.18 -2.90 -0.11 0.00 -1.53 0.00 0.00 36.38 31.66 2vya s VAL 397 CO 0.48 0.16 1.58 -0.62 -3.33 0.00 0.00 175.10 173.37 2vya s ASP 398 N 1.48 6.34 0.47 3.54 -1.08 -1.26 -4.90 116.67 121.26 2vya s ASP 398 Ca 0.03 3.01 0.31 0.00 -0.52 0.00 0.00 52.55 55.38 2vya s ASP 398 Cb -0.17 -2.65 1.41 0.00 -1.46 0.00 0.00 42.92 40.06 2vya s ASP 398 CO 0.01 -0.92 1.69 -0.65 0.52 0.00 0.00 175.17 175.82 2vya h PRO 399 N 4.28 0.13 0.00 4.34 0.11 -1.94 -2.06 132.00 136.85 2vya h PRO 399 Ca -0.48 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.62 2vya h PRO 399 Cb 1.23 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 32.31 2vya h PRO 399 CO 0.75 0.09 0.00 0.00 -0.21 0.00 0.00 178.00 178.63 2vya n LEU 401 N -0.82 1.01 0.00 0.00 4.32 -0.78 -3.76 117.00 116.98 2vya n LEU 401 Ca 0.15 -0.27 0.00 0.00 -0.02 0.00 0.00 56.01 55.87 2vya n LEU 401 Cb 0.07 -0.13 0.00 0.00 -1.62 0.00 0.00 43.42 41.74 2vya n LEU 401 CO 0.11 0.20 0.00 0.61 -1.22 0.00 0.00 177.39 177.09 2vya n GLY 402 N 1.40 2.92 1.28 -0.72 0.00 -0.84 -2.48 105.19 106.75 2vya n GLY 402 Ca 0.10 -0.30 0.12 0.00 0.00 0.00 0.00 46.02 45.93 2vya n GLY 402 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2vya n ASP 403 N 3.46 3.80 -0.20 1.61 9.92 -1.26 -4.63 116.55 129.25 2vya n ASP 403 Ca 0.00 -2.00 -0.03 0.00 -0.53 0.00 0.00 54.79 52.23 2vya n ASP 403 Cb 0.00 -0.41 0.03 0.00 -0.64 0.00 0.00 41.12 40.10 2vya n ASP 403 CO 0.00 0.00 0.00 0.25 0.13 0.00 0.00 177.20 177.58 2vya h LEU 404 N 4.29 -0.90 -0.40 0.64 5.85 -1.81 0.60 115.31 123.59 2vya h LEU 404 Ca 0.00 0.21 -0.02 0.00 0.84 0.00 0.00 57.88 58.91 2vya h LEU 404 Cb 0.98 0.49 -0.02 0.00 0.37 0.00 0.00 40.66 42.48 2vya h LEU 404 CO 0.00 -0.27 0.18 0.40 -0.34 0.00 0.00 178.44 178.42 2vya h ILE 405 N -0.10 1.18 -0.32 4.05 5.03 -1.82 0.92 117.51 126.44 2vya h ILE 405 Ca 0.26 -0.52 0.04 0.00 -0.12 0.00 0.00 64.86 64.52 2vya h ILE 405 Cb 0.52 0.79 -0.04 0.00 -3.03 0.00 0.00 36.82 35.06 2vya h ILE 405 CO -0.66 0.19 0.10 0.25 -0.68 0.00 0.00 178.15 177.36 2vya h LEU 406 N 0.50 0.10 -0.33 1.44 5.85 -0.95 -0.86 115.31 121.06 2vya h LEU 406 Ca 0.14 0.04 -0.10 0.00 0.84 0.00 0.00 57.88 58.80 2vya h LEU 406 Cb 0.14 0.03 -0.01 0.00 0.37 0.00 0.00 40.66 41.19 2vya h LEU 406 CO -0.02 0.09 -0.18 0.40 -0.34 0.00 0.00 178.44 178.40 2vya h ILE 407 N 0.23 1.29 -0.78 4.05 2.04 0.38 -2.84 117.51 121.88 2vya h ILE 407 Ca 0.15 -1.30 0.01 0.00 1.00 0.00 0.00 64.86 64.71 2vya h ILE 407 Cb 0.13 1.42 -0.04 0.00 -0.74 0.00 0.00 36.82 37.59 2vya h ILE 407 CO -0.16 0.42 0.52 -0.07 0.00 0.00 0.00 178.15 178.86 2vya h LEU 408 N 0.47 0.90 -1.81 1.44 3.38 -0.69 -2.56 115.31 116.46 2vya h LEU 408 Ca 0.07 -0.03 0.00 0.00 0.09 0.00 0.00 57.88 58.02 2vya h LEU 408 Cb 0.72 -0.23 0.00 0.00 0.09 0.00 0.00 40.66 41.24 2vya h LEU 408 CO 0.05 0.66 0.00 0.03 0.09 0.00 0.00 178.44 179.27 2vya h ARG 409 N 1.07 0.00 -6.66 1.13 3.08 -0.91 -3.44 114.38 108.65 2vya h ARG 409 Ca 0.29 0.00 -0.52 0.00 0.07 0.00 0.00 59.98 59.81 2vya h ARG 409 Cb -0.12 0.00 0.03 0.00 0.08 0.00 0.00 29.97 29.96 2vya h ARG 409 CO -0.06 0.00 0.64 -0.51 -1.07 0.00 0.00 179.97 178.97 2vya s LEU 410 N -4.95 4.41 0.85 3.04 1.43 -0.97 -4.98 118.68 117.51 2vya s LEU 410 Ca -0.03 2.36 -0.12 0.00 -1.03 0.00 0.00 54.13 55.32 2vya s LEU 410 Cb 0.08 -3.61 0.11 0.00 0.03 0.00 0.00 46.19 42.80 2vya s LEU 410 CO 0.26 -0.52 1.19 -2.16 0.23 0.00 0.00 176.35 175.36 2vya s PRO 411 N -0.01 1.40 0.11 1.29 0.04 -1.26 -4.67 135.00 131.90 2vya s PRO 411 Ca 0.57 1.69 -0.18 0.00 0.04 0.00 0.00 61.00 63.12 2vya s PRO 411 Cb -0.36 -1.76 -0.04 0.00 0.04 0.00 0.00 34.50 32.38 2vya s PRO 411 CO 0.37 -2.38 1.65 1.03 0.04 0.00 0.00 177.00 177.71 2vya h SER 412 N -1.26 0.43 -0.88 6.66 0.87 -1.95 -0.09 113.55 117.34 2vya h SER 412 Ca -0.45 -0.18 0.11 0.00 -1.23 0.00 0.00 61.79 60.04 2vya h SER 412 Cb 1.29 -0.11 -0.08 0.00 -0.44 0.00 0.00 62.40 63.05 2vya h SER 412 CO 0.44 0.50 0.51 4.11 -0.53 0.00 0.00 176.83 181.86 2vya h TRP 413 N 0.35 0.91 0.08 2.24 5.08 -1.99 -1.08 115.95 121.54 2vya h TRP 413 Ca 0.10 0.03 -0.27 0.00 1.08 0.00 0.00 58.89 59.83 2vya h TRP 413 Cb 0.21 -0.28 0.02 0.00 -3.00 0.00 0.00 29.16 26.10 2vya h TRP 413 CO -0.00 0.34 -1.15 0.35 -1.28 0.00 0.00 178.44 176.70 2vya h PHE 414 N 0.81 0.77 -0.59 0.12 3.57 -1.73 0.24 116.94 120.13 2vya h PHE 414 Ca 0.44 -0.48 0.09 0.00 3.53 0.00 0.00 57.97 61.55 2vya h PHE 414 Cb 0.46 -0.06 -0.07 0.00 2.79 0.00 0.00 35.95 39.07 2vya h PHE 414 CO -0.05 1.33 0.21 0.87 -2.23 0.00 0.00 178.31 178.44 2vya h LYS 415 N 0.22 0.38 -0.53 1.11 1.57 -0.67 0.86 116.57 119.51 2vya h LYS 415 Ca -0.14 -0.02 -0.04 0.00 -1.87 0.00 0.00 60.65 58.57 2vya h LYS 415 Cb 1.82 -0.09 -0.02 0.00 0.08 0.00 0.00 32.23 34.02 2vya h LYS 415 CO 0.21 0.25 0.17 -0.09 -0.57 0.00 0.00 179.45 179.41 2vya h ARG 416 N 0.39 0.82 0.25 3.15 2.43 -1.02 -1.21 114.38 119.20 2vya h ARG 416 Ca 0.30 -0.18 -0.01 0.00 -0.81 0.00 0.00 59.98 59.28 2vya h ARG 416 Cb 0.36 -0.12 0.00 0.00 -0.42 0.00 0.00 29.97 29.79 2vya h ARG 416 CO -0.30 0.76 -0.12 1.25 -1.51 0.00 0.00 179.97 180.04 2vya h LEU 417 N 0.73 -0.29 -1.12 3.80 5.85 -0.43 -1.85 115.31 122.01 2vya h LEU 417 Ca 0.17 -0.22 0.17 0.00 0.84 0.00 0.00 57.88 58.83 2vya h LEU 417 Cb 0.28 0.07 -0.09 0.00 0.37 0.00 0.00 40.66 41.29 2vya h LEU 417 CO -0.01 0.11 0.61 0.25 -0.34 0.00 0.00 178.44 179.06 2vya h LEU 418 N -0.73 0.76 -0.63 2.25 6.46 -0.92 -1.79 115.31 120.72 2vya h LEU 418 Ca -0.03 0.07 -0.01 0.00 -0.12 0.00 0.00 57.88 57.78 2vya h LEU 418 Cb 0.49 -0.08 -0.03 0.00 -0.73 0.00 0.00 40.66 40.32 2vya h LEU 418 CO 0.06 0.33 0.34 -1.28 -0.62 0.00 0.00 178.44 177.27 2vya h SER 419 N 0.77 0.79 -0.44 1.25 0.87 -0.99 -0.60 113.55 115.19 2vya h SER 419 Ca 0.52 -0.10 -0.07 0.00 -1.23 0.00 0.00 61.79 60.91 2vya h SER 419 Cb 0.80 -0.20 -0.02 0.00 -0.44 0.00 0.00 62.40 62.54 2vya h SER 419 CO -0.30 0.66 -0.01 -0.07 -0.53 0.00 0.00 176.83 176.58 2vya h LEU 420 N 0.85 0.78 -0.63 2.23 3.38 -0.53 -1.59 115.31 119.80 2vya h LEU 420 Ca 0.22 -0.31 0.00 0.00 0.09 0.00 0.00 57.88 57.88 2vya h LEU 420 Cb 0.05 -0.21 -0.03 0.00 0.09 0.00 0.00 40.66 40.56 2vya h LEU 420 CO -0.03 0.90 0.41 -0.07 0.09 0.00 0.00 178.44 179.73 2vya h LEU 421 N 0.63 0.73 -1.14 1.67 4.07 -1.26 -2.82 115.31 117.20 2vya h LEU 421 Ca 0.12 -0.03 -0.09 0.00 0.08 0.00 0.00 57.88 57.97 2vya h LEU 421 Cb 0.51 -0.18 -0.01 0.00 1.08 0.00 0.00 40.66 42.06 2vya h LEU 421 CO 0.02 0.54 -0.34 -0.07 -1.08 0.00 0.00 178.44 177.51 2vya h LEU 422 N 0.85 0.16 -0.45 1.67 4.07 -1.05 -3.39 115.31 117.19 2vya h LEU 422 Ca 0.23 -0.06 0.09 0.00 0.08 0.00 0.00 57.88 58.22 2vya h LEU 422 Cb -0.08 -0.04 -0.08 0.00 1.08 0.00 0.00 40.66 41.54 2vya h LEU 422 CO -0.05 0.50 -0.04 0.50 -1.08 0.00 0.00 178.44 178.28 2vya h LYS 423 N 0.14 0.07 -0.24 1.13 1.63 -1.01 0.28 116.57 118.57 2vya h LYS 423 Ca 0.02 -0.00 -0.02 0.00 -0.85 0.00 0.00 60.65 59.79 2vya h LYS 423 Cb 0.67 -0.02 -0.01 0.00 -0.60 0.00 0.00 32.23 32.28 2vya h LYS 423 CO 0.05 0.05 0.07 -1.00 -3.45 0.00 0.00 179.45 175.17 2vya h PRO 424 N 0.07 0.38 0.27 1.90 0.13 -1.75 -3.01 132.00 129.99 2vya h PRO 424 Ca 0.22 -0.08 -0.01 0.00 -0.87 0.00 0.00 66.00 65.26 2vya h PRO 424 Cb 0.33 -0.05 0.00 0.00 0.13 0.00 0.00 31.00 31.41 2vya h PRO 424 CO -0.40 0.46 -0.13 -0.07 -0.23 0.00 0.00 178.00 177.63 2vya h LEU 425 N 0.22 -0.31 -6.83 1.56 -0.00 -1.70 -3.41 115.31 104.85 2vya h LEU 425 Ca 0.08 -0.22 -0.61 0.00 -0.00 0.00 0.00 57.88 57.13 2vya h LEU 425 Cb 0.24 0.08 -0.40 0.00 -0.00 0.00 0.00 40.66 40.58 2vya h LEU 425 CO -0.00 0.15 -0.73 -0.36 -0.00 0.00 0.00 178.44 177.50 2vya s PHE 426 N -3.97 2.57 0.26 1.13 0.40 0.93 -5.00 117.98 114.30 2vya s PHE 426 Ca -0.13 -2.91 -0.03 0.00 -0.60 0.00 0.00 56.93 53.26 2vya s PHE 426 Cb 0.01 -2.01 0.40 0.00 0.51 0.00 0.00 43.02 41.93 2vya s PHE 426 CO 0.48 -0.67 1.86 -1.00 0.70 0.00 0.00 175.22 176.59 2vya h PRO 427 N 5.59 1.03 -0.36 0.24 0.13 -1.68 -2.51 132.00 134.45 2vya h PRO 427 Ca 0.17 -0.06 0.05 0.00 -0.87 0.00 0.00 66.00 65.29 2vya h PRO 427 Cb 0.82 -0.23 -0.04 0.00 0.13 0.00 0.00 31.00 31.68 2vya h PRO 427 CO 0.58 0.68 0.10 -0.09 -0.23 0.00 0.00 178.00 179.03 2vya h ARG 428 N 1.06 0.22 0.18 0.86 2.43 -1.94 0.26 114.38 117.45 2vya h ARG 428 Ca 0.42 -0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.58 2vya h ARG 428 Cb 0.22 -0.05 -0.01 0.00 -0.42 0.00 0.00 29.97 29.71 2vya h ARG 428 CO -0.19 0.15 -0.15 -0.07 -1.51 0.00 0.00 179.97 178.20 2vya h LEU 429 N 0.23 -0.39 -0.42 3.80 4.07 -1.90 -1.74 115.31 118.96 2vya h LEU 429 Ca 0.17 0.03 0.08 0.00 0.08 0.00 0.00 57.88 58.25 2vya h LEU 429 Cb 0.17 0.13 -0.08 0.00 1.08 0.00 0.00 40.66 41.96 2vya h LEU 429 CO -0.20 -0.23 -0.11 0.00 -1.08 0.00 0.00 178.44 176.81 2vya h ALA 430 N 0.45 0.26 0.16 1.53 0.00 -1.09 -0.97 119.26 119.60 2vya h ALA 430 Ca -0.00 0.16 0.01 0.00 0.00 0.00 0.00 54.91 55.08 2vya h ALA 430 Cb 0.32 0.33 -0.04 0.00 0.00 0.00 0.00 17.79 18.39 2vya h ALA 430 CO -0.02 -0.46 -0.45 0.00 0.00 0.00 0.00 179.25 178.32 2vya h ALA 431 N 1.40 -0.83 0.41 0.00 0.00 -0.30 -1.97 119.26 117.96 2vya h ALA 431 Ca 0.20 -0.09 -0.01 0.00 0.00 0.00 0.00 54.91 55.01 2vya h ALA 431 Cb 0.32 0.75 -0.02 0.00 0.00 0.00 0.00 17.79 18.84 2vya h ALA 431 CO -0.44 -1.03 -0.35 0.74 0.00 0.00 0.00 179.25 178.17 2vya h PHE 432 N -0.71 -0.95 -0.32 0.00 0.04 -0.99 -2.44 116.94 111.58 2vya h PHE 432 Ca 0.01 0.00 0.05 0.00 2.80 0.00 0.00 57.97 60.83 2vya h PHE 432 Cb 0.72 0.36 -0.08 0.00 2.20 0.00 0.00 35.95 39.15 2vya h PHE 432 CO -0.37 -0.51 -0.48 1.25 -0.60 0.00 0.00 178.31 177.59 2vya h LEU 433 N -0.77 -1.58 -2.54 1.54 6.46 -1.11 -0.16 115.31 117.16 2vya h LEU 433 Ca -0.04 0.22 0.01 0.00 -0.12 0.00 0.00 57.88 57.95 2vya h LEU 433 Cb 0.68 0.66 -0.00 0.00 -0.73 0.00 0.00 40.66 41.26 2vya h LEU 433 CO -0.03 -0.41 0.05 -1.13 -0.62 0.00 0.00 178.44 176.30 2vya h ASN 434 N -0.42 0.00 -0.04 1.25 -1.24 -1.26 0.28 115.58 114.15 2vya h ASN 434 Ca 0.09 0.00 0.00 0.00 0.71 0.00 0.00 56.30 57.10 2vya h ASN 434 Cb 0.61 0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.66 2vya h ASN 434 CO -0.53 0.00 0.00 0.59 -1.29 0.00 0.00 177.43 176.20 2vya n ASN 435 N -3.61 1.50 -1.96 1.15 3.02 -0.11 -3.95 115.26 111.29 2vya n ASN 435 Ca -0.02 -1.53 0.01 0.00 -0.03 0.00 0.00 54.58 53.01 2vya n ASN 435 Cb 0.14 -0.02 0.36 0.00 -0.61 0.00 0.00 39.78 39.64 2vya n ASN 435 CO 0.00 0.00 0.00 0.23 -2.62 0.00 0.00 177.26 174.87 2vya n MET 436 N 0.18 4.35 -3.65 3.52 2.81 0.09 -3.91 117.12 120.51 2vya n MET 436 Ca 0.19 -3.14 -0.27 0.00 -1.81 0.00 0.00 57.70 52.67 2vya n MET 436 Cb 0.35 -2.25 -0.03 0.00 -0.71 0.00 0.00 33.22 30.57 2vya n MET 436 CO 0.00 0.00 0.00 1.03 1.51 0.00 0.00 175.97 178.51 2vya s ARG 437 N -2.89 3.52 0.59 0.03 0.52 -1.25 -4.17 118.95 115.31 2vya s ARG 437 Ca 0.55 -0.32 -0.18 0.00 -0.52 0.00 0.00 55.73 55.26 2vya s ARG 437 Cb 0.43 -2.81 -0.03 0.00 0.52 0.00 0.00 34.95 33.06 2vya s ARG 437 CO 0.15 0.36 1.14 -1.25 0.02 0.00 0.00 175.30 175.72 2vya s PRO 438 N -3.45 3.09 0.32 3.54 0.04 -1.26 -3.68 135.00 133.59 2vya s PRO 438 Ca 0.39 1.58 0.03 0.00 0.04 0.00 0.00 61.00 63.03 2vya s PRO 438 Cb -0.11 -1.97 -0.05 0.00 0.04 0.00 0.00 34.50 32.41 2vya s PRO 438 CO 0.30 -1.05 0.11 1.03 0.04 0.00 0.00 177.00 177.42 2vya s ARG 439 N -3.56 1.64 0.39 4.56 0.52 -0.54 -4.84 118.95 117.11 2vya s ARG 439 Ca 0.72 -1.93 -0.09 0.00 -0.52 0.00 0.00 55.73 53.91 2vya s ARG 439 Cb -0.24 -0.48 -0.06 0.00 0.52 0.00 0.00 34.95 34.69 2vya s ARG 439 CO 0.33 -0.34 0.73 -1.54 0.02 0.00 0.00 175.30 174.50 2vya s SER 440 N -3.44 6.47 0.33 0.23 1.04 -1.26 -4.90 113.70 112.16 2vya s SER 440 Ca 0.34 1.01 0.08 0.00 0.48 0.00 0.00 55.95 57.86 2vya s SER 440 Cb 0.06 -2.27 0.80 0.00 0.10 0.00 0.00 66.02 64.71 2vya s SER 440 CO 0.15 -0.38 1.80 0.00 0.98 0.00 0.00 173.24 175.79 2vya h ALA 441 N 1.19 1.78 -0.26 5.32 0.00 -1.99 -0.39 119.26 124.91 2vya h ALA 441 Ca -0.47 0.06 0.04 0.00 0.00 0.00 0.00 54.91 54.53 2vya h ALA 441 Cb 1.19 -0.09 -0.04 0.00 0.00 0.00 0.00 17.79 18.86 2vya h ALA 441 CO 0.64 -0.12 0.04 1.49 0.00 0.00 0.00 179.25 181.30 2vya h GLU 442 N 0.71 0.13 0.00 0.00 4.81 -2.00 -1.32 114.58 116.90 2vya h GLU 442 Ca 0.55 -0.01 -0.06 0.00 -0.13 0.00 0.00 59.36 59.71 2vya h GLU 442 Cb 0.92 -0.03 -0.01 0.00 0.63 0.00 0.00 28.75 30.26 2vya h GLU 442 CO -0.32 0.09 -0.29 0.87 -0.73 0.00 0.00 179.01 178.63 2vya h LYS 443 N 0.13 0.00 -0.25 1.92 1.57 -1.51 -2.69 116.57 115.74 2vya h LYS 443 Ca 0.12 0.00 -0.06 0.00 -1.87 0.00 0.00 60.65 58.84 2vya h LYS 443 Cb 0.14 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.44 2vya h LYS 443 CO -0.17 0.29 -0.09 1.25 -0.57 0.00 0.00 179.45 180.16 2vya h LEU 444 N 0.00 0.51 -0.47 2.94 6.46 -0.50 -1.81 115.31 122.44 2vya h LEU 444 Ca -0.00 -0.39 0.08 0.00 -0.12 0.00 0.00 57.88 57.44 2vya h LEU 444 Cb 0.60 -0.14 -0.06 0.00 -0.73 0.00 0.00 40.66 40.33 2vya h LEU 444 CO 0.04 0.78 0.11 -0.50 -0.62 0.00 0.00 178.44 178.25 2vya h TRP 445 N 0.23 0.19 -0.62 1.25 6.55 -1.01 0.79 115.95 123.33 2vya h TRP 445 Ca 0.06 0.03 0.04 0.00 0.95 0.00 0.00 58.89 59.97 2vya h TRP 445 Cb 0.57 -0.01 -0.05 0.00 -0.86 0.00 0.00 29.16 28.81 2vya h TRP 445 CO 0.06 0.03 0.36 -0.22 -1.05 0.00 0.00 178.44 177.61 2vya h LYS 446 N 0.26 0.67 -0.27 0.49 3.64 -1.39 -0.41 116.57 119.55 2vya h LYS 446 Ca 0.23 -0.04 -0.01 0.00 -1.27 0.00 0.00 60.65 59.57 2vya h LYS 446 Cb 0.29 -0.15 -0.01 0.00 -0.41 0.00 0.00 32.23 31.95 2vya h LYS 446 CO -0.29 0.44 0.14 1.25 -2.27 0.00 0.00 179.45 178.72 2vya h LEU 447 N 0.69 0.35 -0.92 5.20 5.85 -0.40 -1.21 115.31 124.86 2vya h LEU 447 Ca 0.26 -0.11 -0.08 0.00 0.84 0.00 0.00 57.88 58.79 2vya h LEU 447 Cb 0.10 -0.09 -0.02 0.00 0.37 0.00 0.00 40.66 41.02 2vya h LEU 447 CO -0.14 0.36 -0.12 -0.61 -0.34 0.00 0.00 178.44 177.59 2vya h GLN 448 N 0.31 0.66 -0.53 1.25 5.75 -0.34 -0.27 115.11 121.94 2vya h GLN 448 Ca 0.09 -0.21 -0.01 0.00 -0.15 0.00 0.00 58.65 58.37 2vya h GLN 448 Cb 0.10 -0.06 -0.02 0.00 1.07 0.00 0.00 27.48 28.57 2vya h GLN 448 CO -0.01 0.76 0.29 1.25 -2.65 0.00 0.00 178.83 178.46 2vya h HIS 449 N 0.60 0.73 -0.98 3.99 2.76 -0.86 -1.09 115.15 120.29 2vya h HIS 449 Ca 0.10 -0.02 0.02 0.00 -2.20 0.00 0.00 60.37 58.27 2vya h HIS 449 Cb 0.56 -0.23 -0.05 0.00 1.55 0.00 0.00 27.41 29.23 2vya h HIS 449 CO 0.02 0.54 0.65 0.93 -1.30 0.00 0.00 177.93 178.77 2vya h GLU 450 N 0.71 1.26 -0.54 5.26 5.08 0.01 -0.12 114.58 126.24 2vya h GLU 450 Ca 0.19 -0.08 -0.04 0.00 -1.00 0.00 0.00 59.36 58.43 2vya h GLU 450 Cb 0.06 -0.28 -0.02 0.00 0.50 0.00 0.00 28.75 29.00 2vya h GLU 450 CO -0.03 0.84 0.20 0.82 -1.00 0.00 0.00 179.01 179.84 2vya h ILE 451 N 1.30 1.23 -0.57 3.13 2.04 -0.70 0.22 117.51 124.16 2vya h ILE 451 Ca 0.37 -0.72 0.05 0.00 1.00 0.00 0.00 64.86 65.56 2vya h ILE 451 Cb -0.11 0.68 -0.05 0.00 -0.74 0.00 0.00 36.82 36.60 2vya h ILE 451 CO -0.09 0.27 0.29 -0.33 0.00 0.00 0.00 178.15 178.29 2vya h GLU 452 N 0.74 0.54 -0.23 2.37 5.08 -0.65 -2.15 114.58 120.28 2vya h GLU 452 Ca 0.18 -0.03 -0.12 0.00 -1.00 0.00 0.00 59.36 58.38 2vya h GLU 452 Cb 0.23 -0.12 -0.00 0.00 0.50 0.00 0.00 28.75 29.36 2vya h GLU 452 CO -0.01 0.35 -0.34 0.52 -1.00 0.00 0.00 179.01 178.54 2vya h MET 453 N 0.55 0.63 -0.67 2.33 2.86 -0.54 -2.72 114.93 117.38 2vya h MET 453 Ca 0.26 -0.37 0.08 0.00 -2.06 0.00 0.00 59.70 57.60 2vya h MET 453 Cb 0.17 0.03 -0.04 0.00 0.06 0.00 0.00 31.60 31.82 2vya h MET 453 CO -0.18 0.98 0.44 -0.92 1.06 0.00 0.00 176.91 178.30 2vya h TYR 454 N 0.33 0.62 -0.16 -0.22 5.03 -0.49 0.12 116.97 122.19 2vya h TYR 454 Ca 0.02 0.02 -0.07 0.00 2.58 0.00 0.00 58.73 61.28 2vya h TYR 454 Cb 0.92 -0.20 -0.00 0.00 1.55 0.00 0.00 36.73 39.00 2vya h TYR 454 CO 0.08 0.31 -0.17 -0.09 -1.32 0.00 0.00 178.16 176.98 2vya h ARG 455 N 0.60 0.40 -0.70 1.82 2.43 -1.24 -1.86 114.38 115.83 2vya h ARG 455 Ca 0.30 -0.22 -0.03 0.00 -0.81 0.00 0.00 59.98 59.22 2vya h ARG 455 Cb 0.38 0.01 -0.03 0.00 -0.42 0.00 0.00 29.97 29.90 2vya h ARG 455 CO -0.10 0.78 0.31 1.96 -1.51 0.00 0.00 179.97 181.41 2vya h GLN 456 N 0.05 1.01 -0.22 0.20 1.08 -1.15 -1.81 115.11 114.27 2vya h GLN 456 Ca 0.03 -0.15 0.04 0.00 -1.45 0.00 0.00 58.65 57.11 2vya h GLN 456 Cb 0.71 -0.18 -0.04 0.00 -0.05 0.00 0.00 27.48 27.92 2vya h GLN 456 CO 0.04 0.80 -0.03 1.03 -0.95 0.00 0.00 178.83 179.72 2vya h SER 457 N 1.00 -0.15 -0.27 1.46 0.87 -0.41 -0.75 113.55 115.30 2vya h SER 457 Ca 0.24 0.06 -0.16 0.00 -1.23 0.00 0.00 61.79 60.70 2vya h SER 457 Cb 0.14 0.11 -0.00 0.00 -0.44 0.00 0.00 62.40 62.22 2vya h SER 457 CO -0.03 -0.05 -0.44 0.58 -0.53 0.00 0.00 176.83 176.37 2vya h VAL 458 N 0.03 1.30 -0.91 2.23 2.07 -1.15 -1.92 116.25 117.90 2vya h VAL 458 Ca 0.10 -1.64 0.09 0.00 0.82 0.00 0.00 66.70 66.08 2vya h VAL 458 Cb 0.15 1.68 -0.07 0.00 -1.52 0.00 0.00 31.29 31.52 2vya h VAL 458 CO -0.20 0.53 0.56 0.40 0.02 0.00 0.00 177.57 178.87 2vya h ILE 459 N 0.52 0.96 -0.56 4.57 2.04 -1.16 0.26 117.51 124.14 2vya h ILE 459 Ca 0.02 -0.32 -0.07 0.00 1.00 0.00 0.00 64.86 65.49 2vya h ILE 459 Cb 1.04 -0.06 -0.02 0.00 -0.74 0.00 0.00 36.82 37.03 2vya h ILE 459 CO 0.10 0.17 0.08 0.00 0.00 0.00 0.00 178.15 178.50 2vya h ALA 460 N 1.47 1.08 -0.41 1.87 0.00 -0.80 0.75 119.26 123.23 2vya h ALA 460 Ca 0.43 -0.25 -0.12 0.00 0.00 0.00 0.00 54.91 54.97 2vya h ALA 460 Cb 0.34 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.90 2vya h ALA 460 CO -0.23 0.59 -0.22 0.37 0.00 0.00 0.00 179.25 179.76 2vya h GLN 461 N 0.85 0.88 -0.35 0.00 4.15 -0.39 0.89 115.11 121.13 2vya h GLN 461 Ca 0.17 -0.39 0.02 0.00 0.77 0.00 0.00 58.65 59.22 2vya h GLN 461 Cb 0.40 -0.02 -0.02 0.00 0.21 0.00 0.00 27.48 28.04 2vya h GLN 461 CO 0.01 1.04 0.20 2.35 -1.93 0.00 0.00 178.83 180.50 2vya h TRP 462 N 0.70 0.38 -0.05 3.99 2.91 -0.27 -2.83 115.95 120.78 2vya h TRP 462 Ca 0.09 0.01 -0.18 0.00 1.13 0.00 0.00 58.89 59.94 2vya h TRP 462 Cb 0.79 -0.12 -0.01 0.00 -0.51 0.00 0.00 29.16 29.31 2vya h TRP 462 CO 0.06 0.22 -0.76 0.87 -1.03 0.00 0.00 178.44 177.80 2vya h LYS 463 N 0.42 0.34 -0.99 2.65 1.57 -0.65 -1.33 116.57 118.56 2vya h LYS 463 Ca 0.14 -0.29 0.21 0.00 -1.87 0.00 0.00 60.65 58.84 2vya h LYS 463 Cb 0.01 0.07 -0.10 0.00 0.08 0.00 0.00 32.23 32.28 2vya h LYS 463 CO -0.07 0.95 0.62 0.00 -0.57 0.00 0.00 179.45 180.37 2vya h ALA 464 N 0.97 1.85 -0.01 3.86 0.00 -0.68 0.50 119.26 125.74 2vya h ALA 464 Ca -0.03 0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.95 2vya h ALA 464 Cb 1.34 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 19.08 2vya h ALA 464 CO 0.13 -0.22 -0.31 -1.33 0.00 0.00 0.00 179.25 177.51 2vya n MET 465 N -4.71 0.95 -3.81 0.00 2.81 -1.08 -4.98 117.12 106.30 2vya n MET 465 Ca 0.23 -0.63 -0.24 0.00 -1.81 0.00 0.00 57.70 55.24 2vya n MET 465 Cb 0.65 -1.49 0.02 0.00 -0.71 0.00 0.00 33.22 31.70 2vya n MET 465 CO 0.00 0.00 0.00 -1.71 1.51 0.00 0.00 175.97 175.77 2vya n ASN 466 N -0.47 -1.97 -4.80 7.83 5.15 0.17 -4.94 115.26 116.23 2vya n ASN 466 Ca 0.12 -0.84 -0.33 0.00 -0.60 0.00 0.00 54.58 52.92 2vya n ASN 466 Cb 0.38 -3.82 -0.01 0.00 -0.53 0.00 0.00 39.78 35.79 2vya n ASN 466 CO 0.00 0.00 0.00 -0.76 1.40 0.00 0.00 177.26 177.90 2vya s LEU 467 N -6.89 3.70 -0.15 1.20 1.43 -0.85 -4.84 118.68 112.28 2vya s LEU 467 Ca 0.18 1.89 -0.01 0.00 -1.03 0.00 0.00 54.13 55.17 2vya s LEU 467 Cb -0.09 -4.55 -0.23 0.00 0.03 0.00 0.00 46.19 41.34 2vya s LEU 467 CO 0.83 -0.96 0.24 0.47 0.23 0.00 0.00 176.35 177.16 2vya n ASP 468 N -1.43 1.81 -3.70 2.29 10.43 0.14 -4.90 116.55 121.18 2vya n ASP 468 Ca 0.09 0.14 -0.09 0.00 2.57 0.00 0.00 54.79 57.49 2vya n ASP 468 Cb 0.53 -0.54 -0.03 0.00 1.84 0.00 0.00 41.12 42.92 2vya n ASP 468 CO 0.00 0.00 0.00 0.54 -1.07 0.00 0.00 177.20 176.67 2vya s VAL 469 N -2.55 0.01 -0.09 2.53 0.11 -0.88 -4.65 120.40 114.88 2vya s VAL 469 Ca -0.23 -0.66 -0.01 0.00 -2.93 0.00 0.00 61.98 58.15 2vya s VAL 469 Cb 0.07 -1.60 0.03 0.00 -1.53 0.00 0.00 36.38 33.36 2vya s VAL 469 CO 0.74 -0.03 -0.01 -0.22 -3.33 0.00 0.00 175.10 172.25 2vya s LEU 470 N -2.86 0.72 -0.17 2.54 2.96 -0.46 -1.14 118.68 120.27 2vya s LEU 470 Ca 0.08 -0.17 -0.15 0.00 -0.22 0.00 0.00 54.13 53.66 2vya s LEU 470 Cb -0.03 -0.51 -0.04 0.00 0.50 0.00 0.00 46.19 46.11 2vya s LEU 470 CO -0.01 -0.19 0.37 -0.22 -1.32 0.00 0.00 176.35 174.97 2vya s LEU 471 N 1.93 4.22 0.05 -0.68 2.96 0.32 -1.18 118.68 126.30 2vya s LEU 471 Ca 0.05 0.57 0.03 0.00 -0.22 0.00 0.00 54.13 54.56 2vya s LEU 471 Cb -0.13 -2.49 -0.03 0.00 0.50 0.00 0.00 46.19 44.05 2vya s LEU 471 CO -0.06 0.02 -0.09 -0.89 -1.32 0.00 0.00 176.35 174.01 2vya s THR 472 N 0.79 0.65 0.59 3.68 2.01 -0.31 -2.73 115.64 120.32 2vya s THR 472 Ca 0.19 -1.17 -0.18 0.00 0.31 0.00 0.00 61.69 60.85 2vya s THR 472 Cb -0.14 -0.75 -0.04 0.00 0.01 0.00 0.00 72.50 71.59 2vya s THR 472 CO 0.07 -0.38 1.13 -2.84 -0.69 0.00 0.00 174.62 171.90 2vya s PRO 473 N -1.73 3.12 -0.01 4.92 0.02 -1.25 -0.29 135.00 139.78 2vya s PRO 473 Ca -0.07 1.55 0.08 0.00 0.02 0.00 0.00 61.00 62.57 2vya s PRO 473 Cb -0.09 -1.98 -0.02 0.00 0.02 0.00 0.00 34.50 32.43 2vya s PRO 473 CO 0.01 -1.02 -0.25 1.41 -0.33 0.00 0.00 177.00 176.82 2vya s MET 474 N -3.58 1.96 0.27 5.54 1.75 -1.25 -4.59 119.30 119.39 2vya s MET 474 Ca 0.71 -0.91 -0.30 0.00 -1.25 0.00 0.00 55.69 53.94 2vya s MET 474 Cb -0.23 -1.93 -0.13 0.00 2.84 0.00 0.00 34.83 35.38 2vya s MET 474 CO 0.33 0.52 1.35 -0.11 -0.65 0.00 0.00 175.02 176.46 2vya n LEU 475 N 2.39 3.09 0.00 4.11 7.94 -1.26 -4.65 117.00 128.62 2vya n LEU 475 Ca -0.16 1.16 0.00 0.00 -1.11 0.00 0.00 56.01 55.90 2vya n LEU 475 Cb 0.52 -1.43 0.00 0.00 0.53 0.00 0.00 43.42 43.04 2vya n LEU 475 CO 0.23 -0.57 0.00 0.61 -1.11 0.00 0.00 177.39 176.56 2vya n GLY 476 N 1.75 1.92 3.46 -3.96 0.00 -1.26 -4.71 105.19 102.40 2vya n GLY 476 Ca 0.10 -0.61 -0.27 0.00 0.00 0.00 0.00 46.02 45.24 2vya n GLY 476 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2vya n PRO 477 N -0.45 -1.80 -1.63 1.61 -0.04 -1.26 -4.52 135.00 126.92 2vya n PRO 477 Ca 0.00 -1.81 -0.48 0.00 -0.04 0.00 0.00 63.50 61.17 2vya n PRO 477 Cb 0.00 -1.35 -0.04 0.00 -0.04 0.00 0.00 33.50 32.07 2vya n PRO 477 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2vya n ALA 478 N -4.11 0.13 -1.74 0.55 0.00 -1.26 -4.88 120.51 109.20 2vya n ALA 478 Ca -0.20 0.46 -0.32 0.00 0.00 0.00 0.00 53.44 53.38 2vya n ALA 478 Cb 0.54 -2.18 -0.00 0.00 0.00 0.00 0.00 19.45 17.81 2vya n ALA 478 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 2vya s LEU 479 N 0.54 3.49 0.78 0.00 1.02 -1.26 -4.60 118.68 118.64 2vya s LEU 479 Ca 0.76 1.67 -0.13 0.00 0.02 0.00 0.00 54.13 56.45 2vya s LEU 479 Cb -0.79 -4.51 0.07 0.00 0.02 0.00 0.00 46.19 40.97 2vya s LEU 479 CO 0.47 -0.95 1.18 -1.81 0.02 0.00 0.00 176.35 175.26 2vya s ASP 480 N -3.11 3.89 0.32 2.29 1.11 -0.63 -0.98 116.67 119.56 2vya s ASP 480 Ca 0.61 2.26 -0.25 0.00 0.18 0.00 0.00 52.55 55.34 2vya s ASP 480 Cb -0.13 -2.58 -0.14 0.00 1.07 0.00 0.00 42.92 41.14 2vya s ASP 480 CO 0.38 -2.46 0.64 0.18 1.18 0.00 0.00 175.17 175.09 2vya n LEU 481 N -3.19 -0.02 -2.08 1.23 7.99 -0.85 -2.14 117.00 117.93 2vya n LEU 481 Ca 0.13 1.04 -0.17 0.00 -0.01 0.00 0.00 56.01 57.00 2vya n LEU 481 Cb 0.51 -1.10 -0.03 0.00 -0.11 0.00 0.00 43.42 42.68 2vya n LEU 481 CO 0.48 -2.57 -0.19 0.59 -1.51 0.00 0.00 177.39 174.19 2vya n ASN 482 N 1.53 -4.76 -0.05 -1.43 3.02 -1.26 -4.84 115.26 107.47 2vya n ASN 482 Ca 0.13 0.21 -0.06 0.00 -0.03 0.00 0.00 54.58 54.83 2vya n ASN 482 Cb 0.33 -4.10 -0.06 0.00 -0.61 0.00 0.00 39.78 35.35 2vya n ASN 482 CO 0.00 0.00 0.00 0.35 -2.62 0.00 0.00 177.26 174.99 2vya n THR 483 N -3.13 0.61 -0.29 3.41 -2.24 -0.91 -4.65 114.28 107.09 2vya n THR 483 Ca -0.19 -0.32 0.10 0.00 -2.27 0.00 0.00 64.05 61.37 2vya n THR 483 Cb 0.61 -0.82 0.23 0.00 -2.10 0.00 0.00 70.33 68.26 2vya n THR 483 CO 0.00 0.00 0.00 -0.65 -0.57 0.00 0.00 175.07 173.85 2vya h PRO 484 N 0.00 0.15 0.00 -0.78 0.11 -1.89 0.15 132.00 129.74 2vya h PRO 484 Ca -0.24 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.86 2vya h PRO 484 Cb 1.48 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 32.55 2vya h PRO 484 CO -0.01 0.10 0.22 0.78 -0.21 0.00 0.00 178.00 178.88 2vya h GLY 485 N 0.15 0.00 -0.56 -0.55 0.00 -1.83 0.42 103.07 100.70 2vya h GLY 485 Ca 0.50 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.83 2vya h GLY 485 CO -0.68 0.00 0.00 0.54 0.00 0.00 0.00 176.54 176.40 2vya n ARG 486 N -2.29 2.39 -3.20 4.80 1.74 0.50 -4.10 116.66 116.50 2vya n ARG 486 Ca -0.01 -1.59 -0.24 0.00 -0.77 0.00 0.00 57.85 55.23 2vya n ARG 486 Cb 0.25 -1.12 -0.06 0.00 -1.02 0.00 0.00 32.46 30.51 2vya n ARG 486 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2vya n ALA 487 N 0.03 3.34 -0.02 7.54 0.00 0.14 -4.56 120.51 126.97 2vya n ALA 487 Ca 0.05 -4.11 -0.12 0.00 0.00 0.00 0.00 53.44 49.26 2vya n ALA 487 Cb 0.30 -0.84 0.01 0.00 0.00 0.00 0.00 19.45 18.91 2vya n ALA 487 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.50 178.65 2vya h THR 488 N 2.37 1.30 0.00 0.00 2.02 -1.86 -3.07 112.91 113.67 2vya h THR 488 Ca 0.13 -1.82 0.00 0.00 0.77 0.00 0.00 66.41 65.49 2vya h THR 488 Cb 0.75 1.76 0.00 0.00 -1.74 0.00 0.00 68.15 68.92 2vya h THR 488 CO 0.66 0.57 0.00 1.23 0.37 0.00 0.00 175.52 178.36 2vya h GLY 489 N 0.90 0.00 0.64 2.16 0.00 -1.92 -0.96 103.07 103.90 2vya h GLY 489 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 2vya h GLY 489 CO 0.12 0.00 0.00 0.00 0.00 0.00 0.00 176.54 176.66 2vya n ALA 490 N -2.01 2.60 1.35 3.60 0.00 -1.16 -2.79 120.51 122.11 2vya n ALA 490 Ca -0.02 -0.13 0.13 0.00 0.00 0.00 0.00 53.44 53.42 2vya n ALA 490 Cb 0.08 -1.33 0.70 0.00 0.00 0.00 0.00 19.45 18.89 2vya n ALA 490 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 2vya n VAL 491 N -0.82 0.12 -0.22 0.00 0.31 -0.36 -4.20 118.33 113.15 2vya n VAL 491 Ca 0.15 0.03 0.01 0.00 -0.01 0.00 0.00 64.34 64.52 2vya n VAL 491 Cb 0.07 -0.60 0.12 0.00 -0.91 0.00 0.00 33.84 32.52 2vya n VAL 491 CO 0.00 0.00 0.00 0.77 -1.32 0.00 0.00 176.83 176.28 2vya h SER 492 N 0.00 0.29 0.17 4.52 4.64 -1.75 -0.42 113.55 121.00 2vya h SER 492 Ca 0.00 0.08 -0.03 0.00 -0.47 0.00 0.00 61.79 61.36 2vya h SER 492 Cb 0.18 0.04 -0.00 0.00 -0.31 0.00 0.00 62.40 62.31 2vya h SER 492 CO 0.00 0.17 -0.15 1.88 -0.87 0.00 0.00 176.83 177.85 2vya h TYR 493 N 0.46 0.00 0.00 4.77 0.05 -1.88 -3.27 116.97 117.10 2vya h TYR 493 Ca 0.33 0.00 -0.43 0.00 0.05 0.00 0.00 58.73 58.68 2vya h TYR 493 Cb 0.40 0.00 -0.07 0.00 1.01 0.00 0.00 36.73 38.07 2vya h TYR 493 CO -0.15 0.15 -2.48 0.25 -1.05 0.00 0.00 178.16 174.88 2vya n THR 494 N -4.30 1.46 -0.06 -2.88 -2.24 -1.05 -4.58 114.28 100.64 2vya n THR 494 Ca -0.02 -0.43 0.03 0.00 -2.27 0.00 0.00 64.05 61.36 2vya n THR 494 Cb 0.22 -1.73 0.38 0.00 -2.10 0.00 0.00 70.33 67.10 2vya n THR 494 CO 0.00 0.00 0.00 -0.03 -0.57 0.00 0.00 175.07 174.47 2vya h MET 495 N -0.69 0.65 -0.93 -0.78 1.85 -1.16 -2.12 114.93 111.75 2vya h MET 495 Ca -0.65 -0.04 0.27 0.00 -0.61 0.00 0.00 59.70 58.67 2vya h MET 495 Cb 1.67 -0.15 -0.16 0.00 0.43 0.00 0.00 31.60 33.39 2vya h MET 495 CO -0.32 0.43 0.16 1.25 -0.40 0.00 0.00 176.91 178.03 2vya h LEU 496 N 0.67 -0.20 0.00 3.39 5.85 -1.77 -0.40 115.31 122.85 2vya h LEU 496 Ca 0.19 0.24 0.00 0.00 0.84 0.00 0.00 57.88 59.15 2vya h LEU 496 Cb -0.06 0.37 0.00 0.00 0.37 0.00 0.00 40.66 41.34 2vya h LEU 496 CO -0.04 -0.28 -0.61 1.88 -0.34 0.00 0.00 178.44 179.05 2vya h TYR 497 N 0.09 0.00 0.29 1.25 0.05 -1.66 -0.58 116.97 116.41 2vya h TYR 497 Ca 0.60 0.00 -0.01 0.00 0.05 0.00 0.00 58.73 59.36 2vya h TYR 497 Cb 1.26 0.00 0.00 0.00 1.01 0.00 0.00 36.73 39.01 2vya h TYR 497 CO -0.35 0.00 -0.14 -0.91 -1.05 0.00 0.00 178.16 175.71 2vya h ASN 498 N 0.00 -0.33 -0.32 3.88 4.21 -1.27 0.37 115.58 122.12 2vya h ASN 498 Ca 0.00 -0.11 0.06 0.00 1.21 0.00 0.00 56.30 57.47 2vya h ASN 498 Cb 0.82 0.09 -0.08 0.00 -1.12 0.00 0.00 38.32 38.03 2vya h ASN 498 CO 0.00 -0.09 -0.38 0.00 -1.29 0.00 0.00 177.43 175.67 2vya n LEU 500 N -5.42 0.48 -3.68 0.00 4.77 -0.25 -4.93 117.00 107.97 2vya n LEU 500 Ca -0.01 0.61 -0.27 0.00 -0.03 0.00 0.00 56.01 56.31 2vya n LEU 500 Cb 0.35 -0.54 0.03 0.00 -2.33 0.00 0.00 43.42 40.93 2vya n LEU 500 CO 0.08 -0.44 -0.08 -0.67 -1.33 0.00 0.00 177.39 174.95 2vya n ASP 501 N -2.02 -3.80 -4.64 -1.43 4.64 0.05 -4.96 116.55 104.39 2vya n ASP 501 Ca 0.03 -0.94 -0.31 0.00 -1.38 0.00 0.00 54.79 52.19 2vya n ASP 501 Cb 0.23 -3.69 -0.09 0.00 -1.04 0.00 0.00 41.12 36.53 2vya n ASP 501 CO 0.00 0.00 0.00 -0.36 -0.82 0.00 0.00 177.20 176.02 2vya s PHE 502 N -3.58 2.93 0.43 -0.67 2.99 -0.75 -4.53 117.98 114.80 2vya s PHE 502 Ca 0.30 -0.03 -0.25 0.00 0.00 0.00 0.00 56.93 56.95 2vya s PHE 502 Cb -0.09 -1.57 -0.08 0.00 0.00 0.00 0.00 43.02 41.28 2vya s PHE 502 CO 0.84 0.43 1.26 -1.25 -0.00 0.00 0.00 175.22 176.50 2vya s PRO 503 N -1.85 3.86 -0.20 0.24 0.04 -1.23 -4.61 135.00 131.24 2vya s PRO 503 Ca 0.21 2.04 -0.15 0.00 0.04 0.00 0.00 61.00 63.13 2vya s PRO 503 Cb -0.11 -2.63 0.06 0.00 0.04 0.00 0.00 34.50 31.85 2vya s PRO 503 CO 0.12 -0.54 0.52 0.00 0.04 0.00 0.00 177.00 177.15 2vya s ALA 504 N -1.34 -1.33 0.17 8.56 0.00 -0.57 -1.85 121.76 125.40 2vya s ALA 504 Ca 0.59 1.66 0.01 0.00 0.00 0.00 0.00 51.96 54.23 2vya s ALA 504 Cb -0.35 -0.98 -0.04 0.00 0.00 0.00 0.00 23.12 21.74 2vya s ALA 504 CO 0.44 -0.28 0.04 0.20 0.00 0.00 0.00 175.76 176.16 2vya s GLY 505 N 0.83 1.23 -0.06 0.00 0.00 0.12 -0.18 107.32 109.25 2vya s GLY 505 Ca -0.04 -1.60 -0.00 0.00 0.00 0.00 0.00 44.72 43.08 2vya s GLY 505 CO -0.07 -1.48 -0.02 0.14 0.00 0.00 0.00 173.10 171.68 2vya s VAL 506 N -3.82 0.45 -0.02 1.40 1.01 0.10 -0.28 120.40 119.24 2vya s VAL 506 Ca 0.26 0.01 0.07 0.00 0.00 0.00 0.00 61.98 62.33 2vya s VAL 506 Cb 0.07 -0.55 -0.02 0.00 0.00 0.00 0.00 36.38 35.88 2vya s VAL 506 CO 0.05 0.25 -0.24 0.54 0.00 0.00 0.00 175.10 175.69 2vya s VAL 507 N 1.53 1.91 0.20 2.92 0.11 -1.09 -2.53 120.40 123.44 2vya s VAL 507 Ca -0.02 -1.03 -0.30 0.00 -2.93 0.00 0.00 61.98 57.70 2vya s VAL 507 Cb -0.13 -1.59 -0.08 0.00 -1.53 0.00 0.00 36.38 33.05 2vya s VAL 507 CO -0.03 0.54 1.19 -2.84 -3.33 0.00 0.00 175.10 170.63 2vya s PRO 508 N -0.52 4.50 0.00 1.54 0.02 -1.26 -2.00 135.00 137.27 2vya s PRO 508 Ca 0.08 1.88 0.00 0.00 0.02 0.00 0.00 61.00 62.98 2vya s PRO 508 Cb -0.10 -3.23 0.00 0.00 0.02 0.00 0.00 34.50 31.19 2vya s PRO 508 CO -0.00 -0.07 0.00 1.33 -0.33 0.00 0.00 177.00 177.93 2vya n VAL 509 N 2.34 0.00 -3.84 3.83 0.24 -1.10 -4.77 118.33 115.03 2vya n VAL 509 Ca 0.04 -0.03 -0.06 0.00 -2.04 0.00 0.00 64.34 62.25 2vya n VAL 509 Cb 0.45 0.36 0.02 0.00 -1.47 0.00 0.00 33.84 33.19 2vya n VAL 509 CO 0.00 0.00 0.00 0.28 -2.14 0.00 0.00 176.83 174.97 2vya s THR 510 N -1.07 0.00 0.04 3.34 -1.32 -1.13 -4.72 115.64 110.78 2vya s THR 510 Ca 0.00 -0.77 0.01 0.00 -1.21 0.00 0.00 61.69 59.72 2vya s THR 510 Cb 0.00 -2.82 -0.03 0.00 -1.51 0.00 0.00 72.50 68.14 2vya s THR 510 CO 0.00 0.00 -0.05 0.42 -2.21 0.00 0.00 174.62 172.78 2vya s THR 511 N -2.32 0.37 -0.00 5.08 -4.23 -1.26 -1.33 115.64 111.93 2vya s THR 511 Ca 0.18 -1.21 -0.30 0.00 -1.18 0.00 0.00 61.69 59.19 2vya s THR 511 Cb -0.04 -0.72 -0.07 0.00 1.34 0.00 0.00 72.50 73.01 2vya s THR 511 CO 0.08 -0.56 1.73 -0.69 -0.54 0.00 0.00 174.62 174.64 2vya s VAL 512 N -1.98 3.32 0.58 2.29 1.01 -0.47 -4.83 120.40 120.32 2vya s VAL 512 Ca -0.08 0.49 -0.03 0.00 0.00 0.00 0.00 61.98 62.36 2vya s VAL 512 Cb -0.06 -3.31 0.02 0.00 0.00 0.00 0.00 36.38 33.03 2vya s VAL 512 CO -0.02 -0.03 0.86 0.42 0.00 0.00 0.00 175.10 176.32 2vya s THR 513 N 3.82 3.22 0.30 3.92 -4.23 -1.26 -0.29 115.64 121.12 2vya s THR 513 Ca 0.77 -0.29 0.03 0.00 -1.18 0.00 0.00 61.69 61.02 2vya s THR 513 Cb -0.37 -3.27 0.29 0.00 1.34 0.00 0.00 72.50 70.49 2vya s THR 513 CO 0.33 -0.24 1.86 0.00 -0.54 0.00 0.00 174.62 176.03 2vya h ALA 514 N -0.11 1.58 -0.58 3.99 0.00 -1.98 -1.34 119.26 120.83 2vya h ALA 514 Ca -0.45 0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.45 2vya h ALA 514 Cb 1.28 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 18.83 2vya h ALA 514 CO 0.58 0.21 0.28 1.49 0.00 0.00 0.00 179.25 181.81 2vya h GLU 515 N 0.95 0.83 -0.04 0.00 4.81 -1.99 -0.94 114.58 118.20 2vya h GLU 515 Ca 0.46 -0.12 -0.00 0.00 -0.13 0.00 0.00 59.36 59.56 2vya h GLU 515 Cb 0.45 -0.15 -0.00 0.00 0.63 0.00 0.00 28.75 29.68 2vya h GLU 515 CO -0.22 0.68 0.02 -0.44 -0.73 0.00 0.00 179.01 178.32 2vya h ASP 516 N 0.79 0.05 -0.81 1.04 3.45 -1.73 -1.84 116.42 117.37 2vya h ASP 516 Ca 0.20 -0.10 0.02 0.00 0.43 0.00 0.00 57.03 57.58 2vya h ASP 516 Cb 0.12 -0.01 -0.05 0.00 -0.56 0.00 0.00 39.33 38.83 2vya h ASP 516 CO -0.02 0.13 0.53 -0.78 -1.57 0.00 0.00 179.24 177.53 2vya h ASP 517 N -0.04 0.89 -0.49 6.45 3.58 -1.05 -1.83 116.42 123.93 2vya h ASP 517 Ca 0.01 -0.01 -0.01 0.00 0.42 0.00 0.00 57.03 57.44 2vya h ASP 517 Cb 0.10 -0.21 -0.02 0.00 1.72 0.00 0.00 39.33 40.91 2vya h ASP 517 CO -0.00 0.63 0.27 0.00 -2.88 0.00 0.00 179.24 177.26 2vya h ALA 518 N 1.32 0.63 0.00 -0.78 0.00 -1.05 -2.94 119.26 116.44 2vya h ALA 518 Ca 0.31 -0.08 -0.04 0.00 0.00 0.00 0.00 54.91 55.10 2vya h ALA 518 Cb -0.04 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.54 2vya h ALA 518 CO -0.09 0.14 -0.19 1.96 0.00 0.00 0.00 179.25 181.06 2vya h GLN 519 N 0.65 0.00 -0.33 0.00 4.20 -0.50 -1.88 115.11 117.25 2vya h GLN 519 Ca 0.17 0.00 0.10 0.00 0.06 0.00 0.00 58.65 58.98 2vya h GLN 519 Cb 0.04 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 27.80 2vya h GLN 519 CO -0.03 0.19 0.34 1.98 -0.67 0.00 0.00 178.83 180.65 2vya h MET 520 N 0.00 0.00 0.00 1.46 4.05 -1.26 -1.80 114.93 117.38 2vya h MET 520 Ca -0.00 0.00 0.00 0.00 -0.28 0.00 0.00 59.70 59.42 2vya h MET 520 Cb 0.43 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 31.23 2vya h MET 520 CO 0.03 0.00 0.00 -1.91 0.23 0.00 0.00 176.91 175.26 2vya n GLU 521 N -3.80 0.09 0.00 0.39 2.13 -0.71 -1.35 120.64 117.39 2vya n GLU 521 Ca 0.05 0.18 0.12 0.00 0.66 0.00 0.00 57.16 58.17 2vya n GLU 521 Cb 0.50 -1.63 0.19 0.00 0.27 0.00 0.00 31.44 30.78 2vya n GLU 521 CO 0.00 0.00 0.00 1.28 -0.41 0.00 0.00 177.13 178.00 2vya n LEU 522 N -1.79 2.14 -4.67 4.31 4.77 -0.68 -4.99 117.00 116.09 2vya n LEU 522 Ca 0.05 -0.72 -0.48 0.00 -0.03 0.00 0.00 56.01 54.82 2vya n LEU 522 Cb 0.30 -0.02 -0.05 0.00 -2.33 0.00 0.00 43.42 41.32 2vya n LEU 522 CO 0.23 0.37 1.28 0.00 -1.33 0.00 0.00 177.39 177.95 2vya n TYR 523 N 0.42 2.20 -0.11 -1.77 4.19 -0.46 -4.92 117.16 116.72 2vya n TYR 523 Ca 0.13 0.22 -0.19 0.00 3.31 0.00 0.00 57.90 61.37 2vya n TYR 523 Cb 0.48 -2.56 -0.09 0.00 0.49 0.00 0.00 39.34 37.65 2vya n TYR 523 CO 0.00 0.00 0.00 1.63 0.91 0.00 0.00 176.86 179.40 2vya n LYS 524 N 4.67 0.52 0.00 2.98 5.02 -1.26 -4.97 118.16 125.11 2vya n LYS 524 Ca 0.20 0.16 0.00 0.00 -2.02 0.00 0.00 58.31 56.65 2vya n LYS 524 Cb 0.27 -1.38 0.00 0.00 -0.02 0.00 0.00 35.03 33.90 2vya n LYS 524 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2vya n GLY 525 N 2.09 -1.14 0.18 0.72 0.00 -1.26 -4.49 105.19 101.29 2vya n GLY 525 Ca -0.41 -1.46 -0.18 0.00 0.00 0.00 0.00 46.02 43.96 2vya n GLY 525 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 173.32 172.35 2vya h TYR 526 N 0.00 0.91 0.00 1.61 0.05 -1.96 -3.36 116.97 114.21 2vya h TYR 526 Ca 0.00 -0.50 -0.25 0.00 0.05 0.00 0.00 58.73 58.03 2vya h TYR 526 Cb 0.00 -0.10 -0.04 0.00 1.01 0.00 0.00 36.73 37.60 2vya h TYR 526 CO 0.00 1.34 -1.77 1.19 -1.05 0.00 0.00 178.16 177.87 2vya n PHE 527 N -3.81 0.72 -1.17 4.88 3.01 -1.26 -4.99 117.46 114.84 2vya n PHE 527 Ca -0.10 0.25 -0.06 0.00 1.01 0.00 0.00 57.45 58.55 2vya n PHE 527 Cb 0.88 -1.07 -0.03 0.00 -0.01 0.00 0.00 39.48 39.26 2vya n PHE 527 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 2vya n GLY 528 N 1.52 0.81 3.97 1.37 0.00 -1.26 -5.01 105.19 106.60 2vya n GLY 528 Ca -0.17 -0.46 -0.21 0.00 0.00 0.00 0.00 46.02 45.18 2vya n GLY 528 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 2vya s ASP 529 N -2.64 5.40 0.39 1.61 3.84 -1.26 -4.86 116.67 119.16 2vya s ASP 529 Ca 0.00 -0.02 0.22 0.00 -0.00 0.00 0.00 52.55 52.75 2vya s ASP 529 Cb 0.00 -0.95 1.24 0.00 -1.38 0.00 0.00 42.92 41.83 2vya s ASP 529 CO 0.00 -1.03 1.66 0.16 -0.00 0.00 0.00 175.17 175.96 2vya h ILE 530 N 0.19 0.26 -0.53 2.11 -2.65 -1.97 0.34 117.51 115.25 2vya h ILE 530 Ca -0.42 -0.08 -0.07 0.00 1.03 0.00 0.00 64.86 65.32 2vya h ILE 530 Cb 1.29 0.01 -0.02 0.00 -2.05 0.00 0.00 36.82 36.05 2vya h ILE 530 CO 0.52 0.04 0.04 -0.50 0.03 0.00 0.00 178.15 178.28 2vya h TRP 531 N 0.23 0.92 -0.04 0.16 6.55 -1.93 -1.44 115.95 120.39 2vya h TRP 531 Ca 0.75 -0.12 -0.11 0.00 0.95 0.00 0.00 58.89 60.36 2vya h TRP 531 Cb 2.03 -0.25 -0.01 0.00 -0.86 0.00 0.00 29.16 30.06 2vya h TRP 531 CO -0.01 0.82 -0.47 -0.44 -1.05 0.00 0.00 178.44 177.30 2vya h ASP 532 N 0.81 0.11 0.23 -3.49 3.45 -1.29 -2.93 116.42 113.32 2vya h ASP 532 Ca 0.16 -0.05 -0.27 0.00 0.43 0.00 0.00 57.03 57.30 2vya h ASP 532 Cb 0.44 -0.03 0.02 0.00 -0.56 0.00 0.00 39.33 39.19 2vya h ASP 532 CO 0.02 0.57 -1.12 0.40 -1.57 0.00 0.00 179.24 177.53 2vya h ILE 533 N 0.09 1.34 -0.38 0.35 1.08 -1.17 -2.58 117.51 116.24 2vya h ILE 533 Ca 0.00 -2.49 -0.11 0.00 -0.39 0.00 0.00 64.86 61.88 2vya h ILE 533 Cb 0.86 2.58 -0.02 0.00 -3.07 0.00 0.00 36.82 37.18 2vya h ILE 533 CO 0.07 0.75 -0.20 0.40 -0.69 0.00 0.00 178.15 178.48 2vya h ILE 534 N 0.26 1.27 -0.38 -0.67 5.03 -1.36 -3.19 117.51 118.46 2vya h ILE 534 Ca -0.14 -1.28 -0.07 0.00 -0.12 0.00 0.00 64.86 63.25 2vya h ILE 534 Cb 1.78 1.19 -0.01 0.00 -3.03 0.00 0.00 36.82 36.75 2vya h ILE 534 CO 0.21 0.43 -0.03 0.25 -0.68 0.00 0.00 178.15 178.32 2vya h LEU 535 N 0.64 0.69 -0.34 1.44 5.85 -1.41 0.35 115.31 122.53 2vya h LEU 535 Ca 0.10 -0.33 0.06 0.00 0.84 0.00 0.00 57.88 58.55 2vya h LEU 535 Cb 0.68 -0.19 -0.08 0.00 0.37 0.00 0.00 40.66 41.44 2vya h LEU 535 CO 0.05 0.85 -0.41 0.50 -0.34 0.00 0.00 178.44 179.09 2vya h LYS 536 N 0.51 -0.34 -0.48 1.25 3.64 -1.51 -2.21 116.57 117.44 2vya h LYS 536 Ca 0.10 0.02 -0.02 0.00 -1.27 0.00 0.00 60.65 59.48 2vya h LYS 536 Cb 0.52 0.08 -0.02 0.00 -0.41 0.00 0.00 32.23 32.39 2vya h LYS 536 CO 0.03 -0.23 0.21 0.87 -2.27 0.00 0.00 179.45 178.05 2vya h LYS 537 N -0.35 0.71 0.00 1.90 1.57 -1.43 -3.11 116.57 115.85 2vya h LYS 537 Ca 0.13 -0.12 -0.02 0.00 -1.87 0.00 0.00 60.65 58.77 2vya h LYS 537 Cb 0.59 -0.12 -0.00 0.00 0.08 0.00 0.00 32.23 32.78 2vya h LYS 537 CO -0.53 0.62 -0.09 0.00 -0.57 0.00 0.00 179.45 178.88 2vya h ALA 538 N 1.05 1.16 -0.02 3.86 0.00 0.05 -2.09 119.26 123.28 2vya h ALA 538 Ca 0.16 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.99 2vya h ALA 538 Cb 0.17 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.94 2vya h ALA 538 CO -0.02 0.11 -0.07 -1.33 0.00 0.00 0.00 179.25 177.94 2vya n MET 539 N -3.43 1.62 -1.93 0.00 2.81 -0.86 -1.61 117.12 113.71 2vya n MET 539 Ca -0.01 -1.07 -0.37 0.00 -1.81 0.00 0.00 57.70 54.44 2vya n MET 539 Cb 0.24 -1.48 0.04 0.00 -0.71 0.00 0.00 33.22 31.31 2vya n MET 539 CO 0.00 0.00 0.00 0.21 1.51 0.00 0.00 175.97 177.69 2vya s LYS 540 N -2.12 2.99 -1.06 0.03 2.20 -0.79 -3.93 119.74 117.07 2vya s LYS 540 Ca 0.32 1.96 -0.04 0.00 -0.36 0.00 0.00 55.97 57.86 2vya s LYS 540 Cb 0.20 -2.02 -0.04 0.00 -1.51 0.00 0.00 37.83 34.46 2vya s LYS 540 CO 0.38 -1.22 0.91 -1.71 -0.36 0.00 0.00 175.35 173.34 2vya n ASN 541 N -1.43 -4.83 -0.20 1.43 5.15 -1.26 -4.96 115.26 109.17 2vya n ASN 541 Ca 0.13 -0.65 0.02 0.00 -0.60 0.00 0.00 54.58 53.48 2vya n ASN 541 Cb 0.48 -5.00 0.03 0.00 -0.53 0.00 0.00 39.78 34.77 2vya n ASN 541 CO 0.00 0.00 0.00 -1.20 1.40 0.00 0.00 177.26 177.46 2vya n SER 542 N -3.12 1.69 -4.67 1.20 7.64 -1.25 -5.05 113.62 110.07 2vya n SER 542 Ca -0.15 -1.45 -0.49 0.00 1.01 0.00 0.00 58.87 57.79 2vya n SER 542 Cb 0.63 -0.03 -0.05 0.00 -1.01 0.00 0.00 64.21 63.75 2vya n SER 542 CO 0.00 0.00 0.00 0.52 -3.01 0.00 0.00 175.04 172.55 2vya n VAL 543 N 0.12 0.26 0.00 0.44 0.31 -1.26 -1.71 118.33 116.49 2vya n VAL 543 Ca 0.03 -0.05 0.00 0.00 -0.01 0.00 0.00 64.34 64.32 2vya n VAL 543 Cb 0.18 -1.56 0.00 0.00 -0.91 0.00 0.00 33.84 31.55 2vya n VAL 543 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 2vya n GLY 544 N 3.77 3.06 3.79 2.92 0.00 0.60 -4.96 105.19 114.38 2vya n GLY 544 Ca 0.20 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.87 2vya n GLY 544 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2vya s LEU 545 N 0.00 4.14 0.22 0.99 1.43 -0.69 -4.58 118.68 120.19 2vya s LEU 545 Ca 0.00 1.88 -0.30 0.00 -1.03 0.00 0.00 54.13 54.68 2vya s LEU 545 Cb 0.00 -4.24 -0.09 0.00 0.03 0.00 0.00 46.19 41.90 2vya s LEU 545 CO 0.00 -0.34 1.27 -2.16 0.23 0.00 0.00 176.35 175.35 2vya s PRO 546 N -2.56 4.42 0.04 1.29 0.04 -1.26 -1.37 135.00 135.60 2vya s PRO 546 Ca 0.57 2.02 0.08 0.00 0.04 0.00 0.00 61.00 63.70 2vya s PRO 546 Cb -0.17 -3.19 -0.03 0.00 0.04 0.00 0.00 34.50 31.15 2vya s PRO 546 CO 0.22 -0.18 -0.22 0.08 0.04 0.00 0.00 177.00 176.95 2vya s VAL 547 N -0.15 1.76 0.46 -0.36 1.01 -0.45 -4.69 120.40 117.99 2vya s VAL 547 Ca 0.54 -1.23 0.05 0.00 0.00 0.00 0.00 61.98 61.35 2vya s VAL 547 Cb -0.36 -1.52 -0.03 0.00 0.00 0.00 0.00 36.38 34.47 2vya s VAL 547 CO 0.40 0.25 0.14 0.00 0.00 0.00 0.00 175.10 175.88 2vya s ALA 548 N -0.79 3.80 0.20 5.51 0.00 -1.26 -2.72 121.76 126.50 2vya s ALA 548 Ca 0.08 -1.52 0.05 0.00 0.00 0.00 0.00 51.96 50.57 2vya s ALA 548 Cb -0.09 -0.22 -0.05 0.00 0.00 0.00 0.00 23.12 22.76 2vya s ALA 548 CO 0.02 -0.16 -0.07 0.54 0.00 0.00 0.00 175.76 176.08 2vya s VAL 549 N -2.73 1.29 -0.01 0.00 0.11 -0.85 -3.92 120.40 114.29 2vya s VAL 549 Ca 0.29 -2.09 0.08 0.00 -2.93 0.00 0.00 61.98 57.33 2vya s VAL 549 Cb 0.03 -2.14 -0.02 0.00 -1.53 0.00 0.00 36.38 32.72 2vya s VAL 549 CO 0.16 -0.51 -0.25 -1.58 -3.33 0.00 0.00 175.10 169.59 2vya s GLN 550 N -3.77 1.99 -0.13 1.54 0.74 0.60 -2.66 119.66 117.98 2vya s GLN 550 Ca 0.24 -0.91 0.01 0.00 0.05 0.00 0.00 55.36 54.74 2vya s GLN 550 Cb 0.03 -1.95 0.02 0.00 1.10 0.00 0.00 33.01 32.21 2vya s GLN 550 CO 0.06 0.53 -0.15 0.00 -0.55 0.00 0.00 175.29 175.18 2vya s VAL 552 N 1.19 2.16 0.41 0.00 1.01 -0.33 0.12 120.40 124.96 2vya s VAL 552 Ca -0.02 -1.54 0.04 0.00 0.00 0.00 0.00 61.98 60.46 2vya s VAL 552 Cb -0.14 -1.88 -0.03 0.00 0.00 0.00 0.00 36.38 34.33 2vya s VAL 552 CO -0.05 0.24 0.12 0.00 0.00 0.00 0.00 175.10 175.41 2vya s ALA 553 N -0.92 2.93 0.72 5.51 0.00 -0.77 -1.35 121.76 127.87 2vya s ALA 553 Ca 0.12 -1.26 -0.11 0.00 0.00 0.00 0.00 51.96 50.72 2vya s ALA 553 Cb -0.10 0.72 0.02 0.00 0.00 0.00 0.00 23.12 23.77 2vya s ALA 553 CO 0.04 -0.33 1.07 -0.51 0.00 0.00 0.00 175.76 176.03 2vya s LEU 554 N -3.61 3.09 0.39 0.00 1.43 -1.26 -3.58 118.68 115.15 2vya s LEU 554 Ca 0.24 1.67 -0.25 0.00 -1.03 0.00 0.00 54.13 54.76 2vya s LEU 554 Cb 0.03 -4.49 -0.12 0.00 0.03 0.00 0.00 46.19 41.64 2vya s LEU 554 CO 0.14 -1.61 0.89 -2.65 0.23 0.00 0.00 176.35 173.34 2vya n PRO 555 N -3.24 1.12 -0.99 1.29 -0.02 -1.26 -1.50 135.00 130.40 2vya n PRO 555 Ca 0.08 0.40 0.00 0.00 -2.02 0.00 0.00 63.50 61.96 2vya n PRO 555 Cb 0.53 -1.85 0.00 0.00 -0.02 0.00 0.00 33.50 32.17 2vya n PRO 555 CO 0.00 0.00 0.00 0.91 1.98 0.00 0.00 175.50 178.39 2vya n TRP 556 N -0.44 0.00 -1.64 6.00 7.02 -1.26 -4.88 117.44 122.24 2vya n TRP 556 Ca 0.10 0.00 -0.37 0.00 -1.02 0.00 0.00 57.50 56.22 2vya n TRP 556 Cb 0.37 -1.34 0.06 0.00 -2.42 0.00 0.00 31.31 27.98 2vya n TRP 556 CO 0.00 0.00 0.00 1.04 -2.02 0.00 0.00 177.69 176.71 2vya n GLN 557 N -0.36 2.76 -0.16 -0.99 1.13 -0.56 -4.71 117.38 114.49 2vya n GLN 557 Ca 0.00 -3.45 -0.05 0.00 -1.94 0.00 0.00 57.00 51.56 2vya n GLN 557 Cb 0.33 -2.28 0.04 0.00 0.11 0.00 0.00 30.24 28.44 2vya n GLN 557 CO 0.00 0.00 0.00 0.93 -1.44 0.00 0.00 177.06 176.55 2vya h GLU 558 N 2.45 0.54 0.00 -1.09 3.07 -1.90 -0.90 114.58 116.75 2vya h GLU 558 Ca 0.58 -0.03 -0.06 0.00 -0.50 0.00 0.00 59.36 59.35 2vya h GLU 558 Cb 0.49 -0.12 -0.01 0.00 -0.84 0.00 0.00 28.75 28.27 2vya h GLU 558 CO 1.49 0.36 -0.27 1.05 -1.40 0.00 0.00 179.01 180.23 2vya h GLU 559 N 0.56 0.00 -0.07 2.33 9.09 -1.90 0.27 114.58 124.85 2vya h GLU 559 Ca 0.21 0.00 -0.14 0.00 0.05 0.00 0.00 59.36 59.47 2vya h GLU 559 Cb 0.06 0.00 0.01 0.00 -1.65 0.00 0.00 28.75 27.17 2vya h GLU 559 CO -0.11 0.27 -0.51 1.25 0.05 0.00 0.00 179.01 179.96 2vya h LEU 560 N 0.00 0.58 -0.59 3.06 6.46 -1.74 -1.00 115.31 122.07 2vya h LEU 560 Ca -0.00 -0.67 0.05 0.00 -0.12 0.00 0.00 57.88 57.14 2vya h LEU 560 Cb 0.58 -0.17 -0.05 0.00 -0.73 0.00 0.00 40.66 40.28 2vya h LEU 560 CO 0.04 1.16 0.31 0.00 -0.62 0.00 0.00 178.44 179.32 2vya h LEU 562 N 0.58 0.28 -0.88 0.00 3.38 -0.51 -1.03 115.31 117.14 2vya h LEU 562 Ca 0.26 -0.13 -0.04 0.00 0.09 0.00 0.00 57.88 58.07 2vya h LEU 562 Cb 0.17 -0.08 -0.04 0.00 0.09 0.00 0.00 40.66 40.80 2vya h LEU 562 CO -0.18 0.69 0.37 -0.09 0.09 0.00 0.00 178.44 179.32 2vya h ARG 563 N 0.22 1.18 -0.01 1.13 1.12 -0.53 -2.08 114.38 115.41 2vya h ARG 563 Ca 0.02 -0.18 -0.17 0.00 -1.11 0.00 0.00 59.98 58.53 2vya h ARG 563 Cb 0.87 -0.21 0.01 0.00 -0.01 0.00 0.00 29.97 30.64 2vya h ARG 563 CO 0.07 0.92 -0.66 0.35 -3.11 0.00 0.00 179.97 177.54 2vya h PHE 564 N 1.16 0.68 -0.96 2.20 -0.00 -0.63 -2.63 116.94 116.76 2vya h PHE 564 Ca 0.28 -0.36 0.14 0.00 -0.00 0.00 0.00 57.97 58.02 2vya h PHE 564 Cb 0.15 -0.08 -0.09 0.00 -0.00 0.00 0.00 35.95 35.93 2vya h PHE 564 CO 0.02 1.18 0.58 0.52 -0.00 0.00 0.00 178.31 180.61 2vya h MET 565 N -0.01 0.83 -0.51 1.11 2.86 -1.23 -1.91 114.93 116.07 2vya h MET 565 Ca -0.08 -0.05 -0.07 0.00 -2.06 0.00 0.00 59.70 57.44 2vya h MET 565 Cb 1.36 -0.19 -0.02 0.00 0.06 0.00 0.00 31.60 32.81 2vya h MET 565 CO 0.13 0.55 0.04 -0.09 1.06 0.00 0.00 176.91 178.60 2vya h ARG 566 N 0.85 0.84 0.05 1.72 2.43 -1.13 -0.58 114.38 118.56 2vya h ARG 566 Ca 0.51 -0.21 -0.00 0.00 -0.81 0.00 0.00 59.98 59.46 2vya h ARG 566 Cb 0.62 -0.10 0.00 0.00 -0.42 0.00 0.00 29.97 30.07 2vya h ARG 566 CO -0.31 0.81 -0.02 1.49 -1.51 0.00 0.00 179.97 180.42 2vya h GLU 567 N 0.79 -0.06 -0.52 0.20 4.57 -1.03 0.17 114.58 118.69 2vya h GLU 567 Ca 0.16 0.00 0.09 0.00 -1.18 0.00 0.00 59.36 58.43 2vya h GLU 567 Cb 0.41 0.01 -0.07 0.00 -0.16 0.00 0.00 28.75 28.95 2vya h GLU 567 CO 0.01 0.16 0.13 0.28 -1.18 0.00 0.00 179.01 178.42 2vya h VAL 568 N -0.28 0.74 -0.18 0.32 2.07 -1.24 0.13 116.25 117.82 2vya h VAL 568 Ca -0.01 -0.10 0.03 0.00 0.82 0.00 0.00 66.70 67.45 2vya h VAL 568 Cb 0.25 0.43 -0.03 0.00 -1.52 0.00 0.00 31.29 30.43 2vya h VAL 568 CO 0.01 0.05 -0.01 -0.08 0.02 0.00 0.00 177.57 177.57 2vya h GLU 569 N 0.28 0.05 -0.76 1.57 4.81 -0.96 0.25 114.58 119.82 2vya h GLU 569 Ca 0.26 -0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 59.48 2vya h GLU 569 Cb 0.34 -0.01 -0.04 0.00 0.63 0.00 0.00 28.75 29.67 2vya h GLU 569 CO -0.32 0.03 0.43 1.96 -0.73 0.00 0.00 179.01 180.39 2vya h GLN 570 N 0.05 1.04 0.43 1.92 4.20 -0.09 -0.95 115.11 121.71 2vya h GLN 570 Ca 0.08 -0.11 -0.02 0.00 0.06 0.00 0.00 58.65 58.66 2vya h GLN 570 Cb 0.11 -0.21 0.00 0.00 0.30 0.00 0.00 27.48 27.68 2vya h GLN 570 CO -0.15 0.76 -0.21 -0.07 -0.67 0.00 0.00 178.83 178.50 2vya h LEU 571 N 1.04 -0.49 -0.10 1.46 3.38 -0.50 -3.28 115.31 116.82 2vya h LEU 571 Ca 0.27 -0.01 -0.11 0.00 0.09 0.00 0.00 57.88 58.12 2vya h LEU 571 Cb 0.01 0.13 -0.02 0.00 0.09 0.00 0.00 40.66 40.87 2vya h LEU 571 CO -0.05 -0.06 -0.51 0.24 0.09 0.00 0.00 178.44 178.16 2vya h MET 572 N -1.14 0.00 -2.18 1.13 2.86 -0.53 -3.35 114.93 111.72 2vya h MET 572 Ca -0.06 0.00 -0.58 0.00 -2.06 0.00 0.00 59.70 57.00 2vya h MET 572 Cb 0.47 0.00 -0.40 0.00 0.06 0.00 0.00 31.60 31.73 2vya h MET 572 CO 0.10 0.51 -0.87 0.25 1.06 0.00 0.00 176.91 177.95 2vya n THR 573 N -3.26 0.51 0.21 2.22 -2.24 -0.36 -4.84 114.28 106.52 2vya n THR 573 Ca 0.02 -4.45 0.09 0.00 -2.27 0.00 0.00 64.05 57.44 2vya n THR 573 Cb 0.72 -2.00 0.34 0.00 -2.10 0.00 0.00 70.33 67.29 2vya n THR 573 CO 0.00 0.00 0.00 1.55 -0.57 0.00 0.00 175.07 176.05 2vya h PRO 574 N 4.32 0.00 0.00 -0.78 0.13 -1.69 -3.42 132.00 130.56 2vya h PRO 574 Ca 0.14 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.27 2vya h PRO 574 Cb 0.80 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.93 2vya h PRO 574 CO 0.60 0.25 0.00 1.04 -0.23 0.00 0.00 178.00 179.67