#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3cem h VAL 24 N 0.00 1.20 -0.64 3.44 2.07 -2.00 -2.57 116.25 117.75 3cem h VAL 24 Ca 0.00 -0.44 -0.03 0.00 0.82 0.00 0.00 66.70 67.05 3cem h VAL 24 Cb 0.00 0.22 -0.03 0.00 -1.52 0.00 0.00 31.29 29.96 3cem h VAL 24 CO 0.00 0.21 0.27 0.00 0.02 0.00 0.00 177.57 178.07 3cem h ALA 25 N 1.23 1.27 -0.31 1.67 0.00 -2.00 -1.14 119.26 119.98 3cem h ALA 25 Ca 0.25 -0.15 -0.04 0.00 0.00 0.00 0.00 54.91 54.98 3cem h ALA 25 Cb -0.04 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.48 3cem h ALA 25 CO -0.05 0.54 0.06 1.49 0.00 0.00 0.00 179.25 181.29 3cem h GLU 26 N 0.92 0.51 -0.90 0.00 4.22 -1.91 -2.26 114.58 115.16 3cem h GLU 26 Ca 0.22 -0.13 0.06 0.00 0.08 0.00 0.00 59.36 59.58 3cem h GLU 26 Cb 0.15 -0.06 -0.06 0.00 0.50 0.00 0.00 28.75 29.28 3cem h GLU 26 CO -0.02 0.60 0.57 -0.07 -2.18 0.00 0.00 179.01 177.90 3cem h LEU 27 N 0.34 0.91 0.09 1.64 3.38 -1.08 -0.01 115.31 120.58 3cem h LEU 27 Ca 0.09 0.01 -0.00 0.00 0.09 0.00 0.00 57.88 58.07 3cem h LEU 27 Cb 0.33 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 40.90 3cem h LEU 27 CO 0.00 0.59 -0.04 0.11 0.09 0.00 0.00 178.44 179.19 3cem h LYS 28 N 1.05 -0.12 -0.58 1.13 1.57 -1.12 -0.18 116.57 118.31 3cem h LYS 28 Ca 0.38 0.01 0.09 0.00 -1.87 0.00 0.00 60.65 59.26 3cem h LYS 28 Cb 0.13 0.03 -0.07 0.00 0.08 0.00 0.00 32.23 32.40 3cem h LYS 28 CO -0.16 -0.03 0.22 0.87 -0.57 0.00 0.00 179.45 179.78 3cem h LYS 29 N -0.18 0.39 -0.65 3.15 1.57 -1.21 -0.30 116.57 119.34 3cem h LYS 29 Ca -0.01 -0.02 -0.02 0.00 -1.87 0.00 0.00 60.65 58.72 3cem h LYS 29 Cb 0.15 -0.09 -0.03 0.00 0.08 0.00 0.00 32.23 32.34 3cem h LYS 29 CO 0.02 0.26 0.32 0.77 -0.57 0.00 0.00 179.45 180.24 3cem h SER 30 N 0.40 0.85 -0.27 0.86 0.02 -0.80 0.11 113.55 114.71 3cem h SER 30 Ca 0.29 -0.13 -0.01 0.00 -0.84 0.00 0.00 61.79 61.09 3cem h SER 30 Cb 0.34 -0.22 -0.01 0.00 0.14 0.00 0.00 62.40 62.65 3cem h SER 30 CO -0.29 0.74 0.11 0.15 -1.14 0.00 0.00 176.83 176.41 3cem h PHE 31 N 0.90 0.41 -0.62 3.45 3.04 -0.62 -1.57 116.94 121.94 3cem h PHE 31 Ca 0.22 -0.03 -0.04 0.00 3.98 0.00 0.00 57.97 62.11 3cem h PHE 31 Cb 0.12 -0.12 -0.03 0.00 2.56 0.00 0.00 35.95 38.47 3cem h PHE 31 CO 0.00 0.41 0.24 -0.91 -2.02 0.00 0.00 178.31 176.03 3cem h ASN 32 N 0.29 0.83 -0.61 0.41 -0.26 -0.66 -0.17 115.58 115.40 3cem h ASN 32 Ca 0.09 -0.11 -0.02 0.00 -0.56 0.00 0.00 56.30 55.69 3cem h ASN 32 Cb 0.17 -0.21 -0.03 0.00 -1.06 0.00 0.00 38.32 37.19 3cem h ASN 32 CO -0.01 0.75 0.29 0.03 -1.06 0.00 0.00 177.43 177.42 3cem h ARG 33 N 0.89 0.88 -0.22 0.81 3.08 -0.65 -2.26 114.38 116.91 3cem h ARG 33 Ca 0.21 -0.14 -0.08 0.00 0.07 0.00 0.00 59.98 60.04 3cem h ARG 33 Cb 0.18 -0.16 -0.00 0.00 0.08 0.00 0.00 29.97 30.07 3cem h ARG 33 CO -0.02 0.72 -0.18 0.45 -1.07 0.00 0.00 179.97 179.88 3cem h HIS 34 N 0.84 0.60 -0.87 3.04 3.86 -1.04 0.21 115.15 121.79 3cem h HIS 34 Ca 0.21 -0.17 0.09 0.00 -1.16 0.00 0.00 60.37 59.34 3cem h HIS 34 Cb 0.13 -0.13 -0.07 0.00 1.06 0.00 0.00 27.41 28.40 3cem h HIS 34 CO 0.00 0.83 0.52 1.25 0.86 0.00 0.00 177.93 181.39 3cem h LEU 35 N 0.20 0.76 0.29 2.43 5.85 -0.94 0.21 115.31 124.11 3cem h LEU 35 Ca 0.04 0.04 -0.01 0.00 0.84 0.00 0.00 57.88 58.79 3cem h LEU 35 Cb 0.71 -0.11 0.00 0.00 0.37 0.00 0.00 40.66 41.63 3cem h LEU 35 CO 0.05 0.44 -0.14 -0.74 -0.34 0.00 0.00 178.44 177.71 3cem h HIS 36 N 0.87 -0.36 0.06 1.25 2.76 -1.15 -1.69 115.15 116.90 3cem h HIS 36 Ca 0.41 -0.01 -0.27 0.00 -2.20 0.00 0.00 60.37 58.31 3cem h HIS 36 Cb 0.34 0.12 -0.02 0.00 1.55 0.00 0.00 27.41 29.40 3cem h HIS 36 CO -0.04 -0.08 -1.34 0.74 -1.30 0.00 0.00 177.93 175.91 3cem h PHE 37 N -1.02 0.23 0.12 5.26 0.04 -0.59 -2.23 116.94 118.75 3cem h PHE 37 Ca -0.04 -0.17 -0.36 0.00 2.80 0.00 0.00 57.97 60.20 3cem h PHE 37 Cb 0.44 -0.01 -0.02 0.00 2.20 0.00 0.00 35.95 38.56 3cem h PHE 37 CO 0.03 1.18 -1.97 2.41 -0.60 0.00 0.00 178.31 179.36 3cem n THR 38 N -3.36 1.78 0.88 -1.55 -1.04 -0.01 -4.39 114.28 106.59 3cem n THR 38 Ca -0.10 -0.63 0.10 0.00 -2.04 0.00 0.00 64.05 61.38 3cem n THR 38 Cb 1.01 -1.75 -0.11 0.00 -1.82 0.00 0.00 70.33 67.66 3cem n THR 38 CO 0.00 0.00 0.00 0.18 -0.64 0.00 0.00 175.07 174.61 3cem n LEU 39 N -3.52 0.87 -3.81 -4.42 7.99 -0.76 -4.99 117.00 108.35 3cem n LEU 39 Ca -0.32 -0.42 -0.29 0.00 -0.01 0.00 0.00 56.01 54.97 3cem n LEU 39 Cb 1.03 -0.01 0.03 0.00 -0.11 0.00 0.00 43.42 44.37 3cem n LEU 39 CO 0.42 0.21 0.12 0.52 -1.51 0.00 0.00 177.39 177.16 3cem n VAL 40 N -1.59 -2.10 -4.35 4.08 0.31 -0.84 -4.98 118.33 108.86 3cem n VAL 40 Ca 0.03 0.00 -0.23 0.00 -0.01 0.00 0.00 64.34 64.13 3cem n VAL 40 Cb 0.36 -2.99 -0.11 0.00 -0.91 0.00 0.00 33.84 30.19 3cem n VAL 40 CO 0.00 0.00 0.00 -0.54 -1.32 0.00 0.00 176.83 174.97 3cem s LYS 41 N -6.52 1.32 0.49 5.55 -0.14 -0.68 -5.00 119.74 114.75 3cem s LYS 41 Ca 0.64 -1.42 0.05 0.00 -1.36 0.00 0.00 55.97 53.88 3cem s LYS 41 Cb -0.31 -1.46 -0.00 0.00 -1.68 0.00 0.00 37.83 34.38 3cem s LYS 41 CO 0.78 0.30 0.27 0.16 -0.76 0.00 0.00 175.35 176.11 3cem s ASP 42 N -2.61 4.51 0.51 2.83 1.47 -1.26 -3.89 116.67 118.23 3cem s ASP 42 Ca 0.16 -1.24 0.24 0.00 1.18 0.00 0.00 52.55 52.89 3cem s ASP 42 Cb -0.07 0.12 1.35 0.00 -0.34 0.00 0.00 42.92 43.98 3cem s ASP 42 CO 0.07 -0.87 1.98 0.03 0.68 0.00 0.00 175.17 177.06 3cem h ARG 43 N 1.07 0.06 0.00 2.11 2.47 -1.98 -2.22 114.38 115.89 3cem h ARG 43 Ca -0.40 -0.00 -0.08 0.00 -1.26 0.00 0.00 59.98 58.23 3cem h ARG 43 Cb 1.29 -0.01 -0.01 0.00 -1.65 0.00 0.00 29.97 29.58 3cem h ARG 43 CO 0.64 0.04 -0.40 -0.91 0.56 0.00 0.00 179.97 179.90 3cem h ASN 44 N 0.07 0.00 0.00 7.04 -0.26 -2.05 -3.30 115.58 117.08 3cem h ASN 44 Ca 0.28 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 56.02 3cem h ASN 44 Cb 1.01 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 38.27 3cem h ASN 44 CO -0.02 0.40 0.00 1.33 -1.06 0.00 0.00 177.43 178.08 3cem n VAL 45 N -3.98 0.72 -2.15 2.81 0.24 -1.02 -5.03 118.33 109.91 3cem n VAL 45 Ca -0.02 -0.85 -0.40 0.00 -2.04 0.00 0.00 64.34 61.04 3cem n VAL 45 Cb 0.44 0.65 -0.02 0.00 -1.47 0.00 0.00 33.84 33.44 3cem n VAL 45 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3cem s ALA 46 N -0.72 3.39 0.47 2.33 0.00 -0.87 -4.95 121.76 121.42 3cem s ALA 46 Ca 0.00 1.19 0.05 0.00 0.00 0.00 0.00 51.96 53.20 3cem s ALA 46 Cb 0.00 -3.46 0.02 0.00 0.00 0.00 0.00 23.12 19.68 3cem s ALA 46 CO 0.00 -0.63 0.65 0.95 0.00 0.00 0.00 175.76 176.73 3cem s THR 47 N -1.21 2.88 0.23 0.00 -4.23 -1.26 -4.97 115.64 107.07 3cem s THR 47 Ca 0.51 -0.86 -0.07 0.00 -1.18 0.00 0.00 61.69 60.09 3cem s THR 47 Cb -0.38 -3.00 0.18 0.00 1.34 0.00 0.00 72.50 70.64 3cem s THR 47 CO 0.49 -0.00 1.77 0.74 -0.54 0.00 0.00 174.62 177.08 3cem h THR 48 N 0.41 0.81 -0.32 3.99 2.02 -1.98 -1.89 112.91 115.95 3cem h THR 48 Ca -0.41 -0.19 0.06 0.00 0.77 0.00 0.00 66.41 66.64 3cem h THR 48 Cb 1.29 0.21 -0.05 0.00 -1.74 0.00 0.00 68.15 67.86 3cem h THR 48 CO 0.48 0.10 -0.00 -0.09 0.37 0.00 0.00 175.52 176.38 3cem h ARG 49 N 0.55 0.09 -0.66 6.66 2.43 -1.94 0.47 114.38 121.98 3cem h ARG 49 Ca 0.35 -0.01 0.13 0.00 -0.81 0.00 0.00 59.98 59.65 3cem h ARG 49 Cb 0.41 -0.02 -0.10 0.00 -0.42 0.00 0.00 29.97 29.84 3cem h ARG 49 CO -0.29 0.06 0.10 -0.44 -1.51 0.00 0.00 179.97 177.89 3cem h ASP 50 N 0.09 -0.09 -0.58 -3.80 3.32 -1.76 0.21 116.42 113.82 3cem h ASP 50 Ca 0.15 0.14 -0.08 0.00 0.02 0.00 0.00 57.03 57.26 3cem h ASP 50 Cb 0.21 0.21 -0.02 0.00 0.22 0.00 0.00 39.33 39.95 3cem h ASP 50 CO -0.26 -0.05 0.06 1.88 -1.72 0.00 0.00 179.24 179.15 3cem h TYR 51 N 0.22 1.05 -0.46 4.55 0.05 -0.48 0.35 116.97 122.25 3cem h TYR 51 Ca 0.35 -0.16 0.04 0.00 0.05 0.00 0.00 58.73 59.01 3cem h TYR 51 Cb 0.57 -0.28 -0.04 0.00 1.01 0.00 0.00 36.73 37.99 3cem h TYR 51 CO -0.29 0.93 0.23 -0.92 -1.05 0.00 0.00 178.16 177.05 3cem h TYR 52 N 0.87 0.42 -0.42 4.88 3.20 0.86 -1.76 116.97 125.02 3cem h TYR 52 Ca 0.17 0.02 -0.13 0.00 3.14 0.00 0.00 58.73 61.92 3cem h TYR 52 Cb 0.47 -0.12 -0.01 0.00 1.54 0.00 0.00 36.73 38.61 3cem h TYR 52 CO 0.03 0.21 -0.27 0.74 -1.64 0.00 0.00 178.16 177.23 3cem h PHE 53 N 0.45 1.04 -0.80 -3.82 0.04 -0.17 -1.48 116.94 112.20 3cem h PHE 53 Ca 0.20 -0.27 0.03 0.00 2.80 0.00 0.00 57.97 60.73 3cem h PHE 53 Cb 0.11 -0.24 -0.05 0.00 2.20 0.00 0.00 35.95 37.97 3cem h PHE 53 CO -0.10 1.06 0.51 0.00 -0.60 0.00 0.00 178.31 179.18 3cem h ALA 54 N 0.92 1.04 -0.02 2.45 0.00 -0.81 -0.12 119.26 122.73 3cem h ALA 54 Ca 0.09 -0.03 -0.19 0.00 0.00 0.00 0.00 54.91 54.78 3cem h ALA 54 Cb 0.83 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 18.34 3cem h ALA 54 CO 0.07 0.33 -0.82 1.25 0.00 0.00 0.00 179.25 180.08 3cem h LEU 55 N 1.00 0.32 -0.18 0.00 5.85 -1.10 -2.36 115.31 118.84 3cem h LEU 55 Ca 0.32 -0.24 -0.03 0.00 0.84 0.00 0.00 57.88 58.76 3cem h LEU 55 Cb -0.00 -0.10 -0.01 0.00 0.37 0.00 0.00 40.66 40.93 3cem h LEU 55 CO -0.11 1.01 -0.02 0.00 -0.34 0.00 0.00 178.44 178.99 3cem h ALA 56 N 0.97 0.24 -0.82 1.25 0.00 -0.94 0.25 119.26 120.21 3cem h ALA 56 Ca -0.04 -0.22 0.03 0.00 0.00 0.00 0.00 54.91 54.68 3cem h ALA 56 Cb 1.43 -0.06 -0.05 0.00 0.00 0.00 0.00 17.79 19.10 3cem h ALA 56 CO 0.13 -0.03 0.52 0.45 0.00 0.00 0.00 179.25 180.33 3cem h HIS 57 N 0.06 0.98 -0.74 0.00 3.86 -1.06 0.27 115.15 118.52 3cem h HIS 57 Ca 0.05 0.03 -0.02 0.00 -1.16 0.00 0.00 60.37 59.27 3cem h HIS 57 Cb 0.42 -0.32 -0.03 0.00 1.06 0.00 0.00 27.41 28.53 3cem h HIS 57 CO 0.04 0.56 0.40 1.15 0.86 0.00 0.00 177.93 180.94 3cem h THR 58 N 1.01 1.23 -0.08 2.45 2.02 -1.01 -0.61 112.91 117.92 3cem h THR 58 Ca 0.33 -0.58 -0.03 0.00 0.77 0.00 0.00 66.41 66.90 3cem h THR 58 Cb 0.01 0.25 -0.00 0.00 -1.74 0.00 0.00 68.15 66.67 3cem h THR 58 CO -0.11 0.26 -0.06 0.58 0.37 0.00 0.00 175.52 176.55 3cem h VAL 59 N 1.03 1.34 -0.69 3.16 2.07 0.22 -3.14 116.25 120.24 3cem h VAL 59 Ca 0.26 -1.15 0.12 0.00 0.82 0.00 0.00 66.70 66.75 3cem h VAL 59 Cb 0.05 1.93 -0.09 0.00 -1.52 0.00 0.00 31.29 31.66 3cem h VAL 59 CO -0.04 0.32 0.25 -0.09 0.02 0.00 0.00 177.57 178.03 3cem h ARG 60 N -0.21 0.39 -0.85 1.57 2.43 -0.40 -0.67 114.38 116.66 3cem h ARG 60 Ca 0.02 -0.02 0.19 0.00 -0.81 0.00 0.00 59.98 59.35 3cem h ARG 60 Cb 0.54 -0.09 -0.06 0.00 -0.42 0.00 0.00 29.97 29.95 3cem h ARG 60 CO 0.02 0.26 0.57 -0.44 -1.51 0.00 0.00 179.97 178.86 3cem h ASP 61 N 0.40 0.35 0.91 -3.80 3.32 -1.08 -0.72 116.42 115.81 3cem h ASP 61 Ca 0.37 0.03 0.00 0.00 0.02 0.00 0.00 57.03 57.45 3cem h ASP 61 Cb 0.52 -0.03 0.00 0.00 0.22 0.00 0.00 39.33 40.04 3cem h ASP 61 CO -0.38 0.15 0.00 1.41 -1.72 0.00 0.00 179.24 178.71 3cem n HIS 62 N -4.48 0.37 0.73 4.55 8.25 -0.26 -2.84 115.22 121.55 3cem n HIS 62 Ca 0.17 0.13 0.09 0.00 -0.26 0.00 0.00 57.72 57.85 3cem n HIS 62 Cb 0.67 -0.70 0.06 0.00 1.12 0.00 0.00 29.99 31.14 3cem n HIS 62 CO 0.00 0.00 0.00 1.47 0.64 0.00 0.00 176.34 178.45 3cem n LEU 63 N -1.82 2.31 -0.13 2.41 -0.00 -0.29 -4.57 117.00 114.92 3cem n LEU 63 Ca 0.05 -0.96 -0.10 0.00 -0.00 0.00 0.00 56.01 55.00 3cem n LEU 63 Cb 0.29 0.00 -0.01 0.00 -0.00 0.00 0.00 43.42 43.70 3cem n LEU 63 CO 0.22 0.41 0.88 0.58 -0.00 0.00 0.00 177.39 179.49 3cem h VAL 64 N 3.14 1.21 -0.51 1.47 2.07 -1.41 0.60 116.25 122.83 3cem h VAL 64 Ca 0.00 -0.70 0.07 0.00 0.82 0.00 0.00 66.70 66.89 3cem h VAL 64 Cb 0.70 0.96 -0.06 0.00 -1.52 0.00 0.00 31.29 31.37 3cem h VAL 64 CO 0.00 0.24 0.19 1.23 0.02 0.00 0.00 177.57 179.25 3cem h GLY 65 N 0.47 0.68 1.77 2.17 0.00 -1.80 -1.05 103.07 105.30 3cem h GLY 65 Ca 0.12 -0.10 -0.14 0.00 0.00 0.00 0.00 47.33 47.21 3cem h GLY 65 CO -0.00 0.02 -0.56 3.21 0.00 0.00 0.00 176.54 179.20 3cem h ARG 66 N 0.37 0.24 -0.53 4.80 3.08 -1.75 -1.80 114.38 118.79 3cem h ARG 66 Ca 0.24 -0.15 -0.00 0.00 0.07 0.00 0.00 59.98 60.14 3cem h ARG 66 Cb 0.25 0.02 -0.03 0.00 0.08 0.00 0.00 29.97 30.30 3cem h ARG 66 CO -0.24 0.74 0.32 2.35 -1.07 0.00 0.00 179.97 182.07 3cem h TRP 67 N 0.18 0.69 0.02 3.04 7.01 -0.44 0.18 115.95 126.62 3cem h TRP 67 Ca -0.00 0.00 -0.00 0.00 2.11 0.00 0.00 58.89 61.00 3cem h TRP 67 Cb 1.05 -0.23 0.00 0.00 -2.10 0.00 0.00 29.16 27.88 3cem h TRP 67 CO 0.02 0.47 -0.01 0.82 -2.79 0.00 0.00 178.44 176.95 3cem h ILE 68 N 0.71 1.34 -0.91 2.65 2.04 -1.07 -2.69 117.51 119.58 3cem h ILE 68 Ca 0.19 -1.11 0.09 0.00 1.00 0.00 0.00 64.86 65.03 3cem h ILE 68 Cb -0.03 2.08 -0.07 0.00 -0.74 0.00 0.00 36.82 38.06 3cem h ILE 68 CO -0.04 0.28 0.56 0.03 0.00 0.00 0.00 178.15 178.98 3cem h ARG 69 N -0.50 0.92 -0.42 2.37 3.08 -1.30 -0.08 114.38 118.44 3cem h ARG 69 Ca -0.00 -0.06 -0.01 0.00 0.07 0.00 0.00 59.98 59.98 3cem h ARG 69 Cb 0.48 -0.21 -0.02 0.00 0.08 0.00 0.00 29.97 30.31 3cem h ARG 69 CO 0.00 0.61 0.21 1.15 -1.07 0.00 0.00 179.97 180.87 3cem h THR 70 N 0.95 1.17 -0.08 2.04 2.02 -0.89 0.21 112.91 118.33 3cem h THR 70 Ca 0.42 -0.47 -0.15 0.00 0.77 0.00 0.00 66.41 66.98 3cem h THR 70 Cb 0.32 0.71 -0.01 0.00 -1.74 0.00 0.00 68.15 67.43 3cem h THR 70 CO -0.22 0.18 -0.62 1.56 0.37 0.00 0.00 175.52 176.79 3cem h GLN 71 N 0.54 0.27 -0.41 6.66 1.08 -1.10 -2.40 115.11 119.75 3cem h GLN 71 Ca 0.15 -0.19 -0.02 0.00 -1.45 0.00 0.00 58.65 57.13 3cem h GLN 71 Cb 0.10 0.03 -0.02 0.00 -0.05 0.00 0.00 27.48 27.54 3cem h GLN 71 CO -0.02 0.81 0.18 1.96 -0.95 0.00 0.00 178.83 180.80 3cem h GLN 72 N 0.20 0.61 -0.59 1.46 4.20 -0.33 -2.44 115.11 118.22 3cem h GLN 72 Ca -0.01 -0.10 0.08 0.00 0.06 0.00 0.00 58.65 58.68 3cem h GLN 72 Cb 1.14 -0.10 -0.07 0.00 0.30 0.00 0.00 27.48 28.75 3cem h GLN 72 CO 0.10 0.55 0.23 1.25 -0.67 0.00 0.00 178.83 180.29 3cem h HIS 73 N 0.52 0.41 -0.19 2.96 2.76 -0.51 0.49 115.15 121.58 3cem h HIS 73 Ca 0.14 0.03 -0.12 0.00 -2.20 0.00 0.00 60.37 58.22 3cem h HIS 73 Cb 0.16 -0.09 -0.01 0.00 1.55 0.00 0.00 27.41 29.02 3cem h HIS 73 CO -0.00 0.12 -0.38 1.88 -1.30 0.00 0.00 177.93 178.25 3cem h TYR 74 N 0.42 0.50 -0.45 5.26 0.05 -1.22 -0.72 116.97 120.82 3cem h TYR 74 Ca 0.29 -0.13 -0.09 0.00 0.05 0.00 0.00 58.73 58.85 3cem h TYR 74 Cb 0.33 -0.11 -0.01 0.00 1.01 0.00 0.00 36.73 37.95 3cem h TYR 74 CO -0.16 0.75 -0.07 -0.92 -1.05 0.00 0.00 178.16 176.71 3cem h TYR 75 N 0.36 0.93 -0.13 4.88 3.20 -0.95 0.86 116.97 126.12 3cem h TYR 75 Ca 0.04 -0.19 -0.19 0.00 3.14 0.00 0.00 58.73 61.53 3cem h TYR 75 Cb 0.83 -0.23 -0.00 0.00 1.54 0.00 0.00 36.73 38.86 3cem h TYR 75 CO 0.02 0.92 -0.69 -0.44 -1.64 0.00 0.00 178.16 176.34 3cem h ASP 76 N 0.67 0.62 0.00 -2.11 3.32 -0.12 -3.32 116.42 115.49 3cem h ASP 76 Ca 0.12 -0.39 0.00 0.00 0.02 0.00 0.00 57.03 56.78 3cem h ASP 76 Cb 0.59 -0.18 0.00 0.00 0.22 0.00 0.00 39.33 39.96 3cem h ASP 76 CO 0.04 1.13 -1.48 0.29 -1.72 0.00 0.00 179.24 177.50 3cem n LYS 77 N -3.89 0.69 -3.97 3.56 4.76 -0.35 -5.03 118.16 113.93 3cem n LYS 77 Ca -0.05 -0.11 -0.28 0.00 -2.87 0.00 0.00 58.31 55.01 3cem n LYS 77 Cb 0.69 -1.42 -0.02 0.00 -1.84 0.00 0.00 35.03 32.43 3cem n LYS 77 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 3cem s PRO 79 N -6.64 2.51 0.32 0.00 0.04 -1.26 -4.93 135.00 125.03 3cem s PRO 79 Ca 0.08 1.30 -0.29 0.00 0.04 0.00 0.00 61.00 62.13 3cem s PRO 79 Cb -0.03 -1.92 -0.12 0.00 0.04 0.00 0.00 34.50 32.47 3cem s PRO 79 CO 0.90 -1.47 1.53 1.17 0.04 0.00 0.00 177.00 179.17 3cem n LYS 80 N -2.96 2.59 -3.85 4.56 4.81 -1.26 -4.97 118.16 117.08 3cem n LYS 80 Ca 0.10 0.92 -0.37 0.00 -0.87 0.00 0.00 58.31 58.09 3cem n LYS 80 Cb 0.52 -2.66 -0.06 0.00 0.02 0.00 0.00 35.03 32.85 3cem n LYS 80 CO 0.00 0.00 0.00 1.03 1.17 0.00 0.00 177.40 179.60 3cem s ARG 81 N -1.04 3.60 -0.17 1.64 0.52 0.73 -4.59 118.95 119.64 3cem s ARG 81 Ca 0.61 -0.15 -0.07 0.00 -0.52 0.00 0.00 55.73 55.60 3cem s ARG 81 Cb -0.51 -3.24 -0.04 0.00 0.52 0.00 0.00 34.95 31.68 3cem s ARG 81 CO 0.54 0.68 0.05 0.08 0.02 0.00 0.00 175.30 176.67 3cem s VAL 82 N -0.74 4.68 -0.29 3.52 1.01 0.98 -1.23 120.40 128.33 3cem s VAL 82 Ca 0.14 -0.08 0.00 0.00 0.00 0.00 0.00 61.98 62.04 3cem s VAL 82 Cb -0.12 -3.09 0.06 0.00 0.00 0.00 0.00 36.38 33.23 3cem s VAL 82 CO 0.03 0.48 -0.03 -0.31 0.00 0.00 0.00 175.10 175.26 3cem s TYR 83 N 0.23 3.29 -0.60 5.22 2.02 0.67 -1.12 117.35 127.06 3cem s TYR 83 Ca 0.03 -2.10 -0.25 0.00 -0.37 0.00 0.00 57.07 54.38 3cem s TYR 83 Cb -0.12 -2.10 0.04 0.00 -0.40 0.00 0.00 41.96 39.38 3cem s TYR 83 CO 0.01 -0.84 1.01 -0.47 -1.57 0.00 0.00 175.55 173.68 3cem s TYR 84 N 1.18 2.69 -0.29 2.71 5.04 0.34 -1.37 117.35 127.65 3cem s TYR 84 Ca -0.06 -0.07 -0.12 0.00 -2.44 0.00 0.00 57.07 54.38 3cem s TYR 84 Cb -0.20 -4.23 -0.04 0.00 0.35 0.00 0.00 41.96 37.84 3cem s TYR 84 CO -0.03 -1.52 0.23 -1.17 -1.34 0.00 0.00 175.55 171.72 3cem s LEU 85 N 4.28 4.12 -0.12 6.97 2.96 -0.82 -1.00 118.68 135.07 3cem s LEU 85 Ca 0.31 -0.05 -0.16 0.00 -0.22 0.00 0.00 54.13 54.01 3cem s LEU 85 Cb -0.12 -2.17 0.04 0.00 0.50 0.00 0.00 46.19 44.44 3cem s LEU 85 CO 0.18 -0.11 0.41 -0.55 -1.32 0.00 0.00 176.35 174.96 3cem s SER 86 N 1.74 -0.39 0.00 3.68 0.15 -0.87 -2.06 113.70 115.95 3cem s SER 86 Ca 0.08 0.66 0.28 0.00 0.70 0.00 0.00 55.95 57.68 3cem s SER 86 Cb -0.16 0.71 1.22 0.00 -1.71 0.00 0.00 66.02 66.08 3cem s SER 86 CO 0.11 -0.24 1.91 0.18 1.20 0.00 0.00 173.24 176.40 3cem n LEU 87 N 2.39 0.00 -3.89 3.45 7.99 -1.26 -4.17 117.00 121.50 3cem n LEU 87 Ca -0.15 0.49 -0.17 0.00 -0.01 0.00 0.00 56.01 56.17 3cem n LEU 87 Cb 0.57 -0.49 -0.15 0.00 -0.11 0.00 0.00 43.42 43.23 3cem n LEU 87 CO 0.15 -0.01 -0.39 -1.61 -1.51 0.00 0.00 177.39 174.02 3cem s GLU 88 N -2.98 0.45 -0.26 3.23 2.02 -1.26 -4.61 118.70 115.28 3cem s GLU 88 Ca 0.14 -0.07 -0.03 0.00 0.02 0.00 0.00 54.97 55.03 3cem s GLU 88 Cb 0.18 -0.50 0.09 0.00 0.10 0.00 0.00 34.13 34.00 3cem s GLU 88 CO 0.51 -0.01 0.09 -0.06 0.02 0.00 0.00 175.26 175.81 3cem s PHE 89 N 0.47 0.92 -1.27 1.61 0.40 -0.46 -4.67 117.98 114.97 3cem s PHE 89 Ca -0.05 -1.10 -0.11 0.00 -0.60 0.00 0.00 56.93 55.07 3cem s PHE 89 Cb -0.08 -1.17 0.16 0.00 0.51 0.00 0.00 43.02 42.43 3cem s PHE 89 CO -0.01 -0.76 1.78 0.98 0.70 0.00 0.00 175.22 177.91 3cem n TYR 90 N 5.08 3.55 0.14 0.36 4.19 -0.53 -3.15 117.16 126.80 3cem n TYR 90 Ca -0.05 -2.95 -0.01 0.00 3.31 0.00 0.00 57.90 58.20 3cem n TYR 90 Cb 0.44 -2.07 0.16 0.00 0.49 0.00 0.00 39.34 38.36 3cem n TYR 90 CO 0.00 0.00 0.00 0.52 0.91 0.00 0.00 176.86 178.29 3cem h MET 91 N 6.17 0.00 0.00 2.98 2.86 -1.77 -3.43 114.93 121.74 3cem h MET 91 Ca 0.39 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 58.03 3cem h MET 91 Cb 0.70 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.36 3cem h MET 91 CO 1.54 0.61 0.00 0.41 1.06 0.00 0.00 176.91 180.53 3cem n GLY 92 N 0.41 0.48 3.89 8.32 0.00 -1.03 -4.80 105.19 112.47 3cem n GLY 92 Ca -0.01 -0.80 -0.33 0.00 0.00 0.00 0.00 46.02 44.88 3cem n GLY 92 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3cem s ARG 93 N 0.00 3.60 -0.16 1.61 0.52 -1.26 -1.55 118.95 121.72 3cem s ARG 93 Ca 0.00 -0.08 0.11 0.00 -0.52 0.00 0.00 55.73 55.23 3cem s ARG 93 Cb 0.00 -3.00 -0.23 0.00 0.52 0.00 0.00 34.95 32.24 3cem s ARG 93 CO 0.00 0.58 0.22 2.41 0.02 0.00 0.00 175.30 178.53 3cem n THR 94 N 0.70 1.52 0.29 0.02 -1.04 -1.26 -4.55 114.28 109.95 3cem n THR 94 Ca -0.07 -0.77 -0.17 0.00 -2.04 0.00 0.00 64.05 61.00 3cem n THR 94 Cb 0.52 -0.95 -0.09 0.00 -1.82 0.00 0.00 70.33 68.00 3cem n THR 94 CO 0.00 0.00 0.00 0.25 -0.64 0.00 0.00 175.07 174.68 3cem h LEU 95 N 0.01 -1.11 -0.71 -4.42 5.85 -1.97 0.44 115.31 113.39 3cem h LEU 95 Ca -0.47 0.09 -0.06 0.00 0.84 0.00 0.00 57.88 58.28 3cem h LEU 95 Cb 2.10 0.36 -0.03 0.00 0.37 0.00 0.00 40.66 43.46 3cem h LEU 95 CO 0.03 -0.59 0.21 -0.61 -0.34 0.00 0.00 178.44 177.13 3cem h GLN 96 N -0.90 1.12 -0.84 1.25 4.15 -1.97 -1.06 115.11 116.86 3cem h GLN 96 Ca -0.05 -0.25 -0.02 0.00 0.77 0.00 0.00 58.65 59.09 3cem h GLN 96 Cb 0.78 -0.16 -0.04 0.00 0.21 0.00 0.00 27.48 28.27 3cem h GLN 96 CO -0.02 0.97 0.43 -0.97 -1.93 0.00 0.00 178.83 177.31 3cem h ASN 97 N 1.06 1.07 -0.29 -0.69 -0.73 -1.74 -1.41 115.58 112.85 3cem h ASN 97 Ca 0.23 -0.12 -0.07 0.00 1.87 0.00 0.00 56.30 58.21 3cem h ASN 97 Cb 0.33 -0.28 -0.01 0.00 0.27 0.00 0.00 38.32 38.63 3cem h ASN 97 CO -0.00 0.89 -0.07 0.74 -0.37 0.00 0.00 177.43 178.61 3cem h THR 98 N 1.18 1.28 -0.32 -3.57 2.02 -0.67 -1.60 112.91 111.23 3cem h THR 98 Ca 0.29 -1.11 0.05 0.00 0.77 0.00 0.00 66.41 66.41 3cem h THR 98 Cb 0.08 1.41 -0.04 0.00 -1.74 0.00 0.00 68.15 67.85 3cem h THR 98 CO -0.04 0.35 0.07 0.24 0.37 0.00 0.00 175.52 176.51 3cem h MET 99 N 0.33 0.18 0.00 6.66 2.86 -0.78 -0.74 114.93 123.44 3cem h MET 99 Ca 0.07 -0.01 -0.00 0.00 -2.06 0.00 0.00 59.70 57.70 3cem h MET 99 Cb 0.56 -0.04 0.00 0.00 0.06 0.00 0.00 31.60 32.18 3cem h MET 99 CO 0.03 0.12 -0.00 0.82 1.06 0.00 0.00 176.91 178.93 3cem h ILE 100 N 0.18 1.03 0.00 -1.22 2.04 -1.22 0.15 117.51 118.47 3cem h ILE 100 Ca 0.15 -0.11 -0.05 0.00 1.00 0.00 0.00 64.86 65.85 3cem h ILE 100 Cb 0.16 1.11 -0.01 0.00 -0.74 0.00 0.00 36.82 37.35 3cem h ILE 100 CO -0.20 0.03 -0.24 0.78 0.00 0.00 0.00 178.15 178.52 3cem h ASN 101 N -0.05 0.00 0.88 1.72 4.21 -0.99 -0.88 115.58 120.47 3cem h ASN 101 Ca -0.00 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.51 3cem h ASN 101 Cb 0.05 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 37.25 3cem h ASN 101 CO 0.00 0.24 -0.01 0.18 -1.29 0.00 0.00 177.43 176.55 3cem n LEU 102 N -4.10 0.02 -0.25 1.61 4.32 -0.31 -0.84 117.00 117.45 3cem n LEU 102 Ca -0.02 0.43 -0.03 0.00 -0.02 0.00 0.00 56.01 56.37 3cem n LEU 102 Cb 0.31 -0.44 -0.01 0.00 -1.62 0.00 0.00 43.42 41.65 3cem n LEU 102 CO 0.36 0.00 -0.03 0.61 -1.22 0.00 0.00 177.39 177.11 3cem n GLY 103 N 1.45 0.59 0.62 -0.72 0.00 -0.33 -4.93 105.19 101.86 3cem n GLY 103 Ca 0.09 -0.92 0.07 0.00 0.00 0.00 0.00 46.02 45.26 3cem n GLY 103 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3cem n LEU 104 N -0.37 2.33 0.21 0.99 4.77 0.45 -4.72 117.00 120.67 3cem n LEU 104 Ca -0.03 -1.08 -0.15 0.00 -0.03 0.00 0.00 56.01 54.71 3cem n LEU 104 Cb 0.14 -0.03 -0.08 0.00 -2.33 0.00 0.00 43.42 41.12 3cem n LEU 104 CO 0.05 0.44 0.74 -0.61 -1.33 0.00 0.00 177.39 176.68 3cem h GLN 105 N 2.91 -0.48 -0.26 3.23 4.15 -1.85 0.26 115.11 123.08 3cem h GLN 105 Ca 0.00 0.03 0.06 0.00 0.77 0.00 0.00 58.65 59.51 3cem h GLN 105 Cb 0.64 0.11 -0.08 0.00 0.21 0.00 0.00 27.48 28.36 3cem h GLN 105 CO 0.00 -0.32 -0.32 -0.91 -1.93 0.00 0.00 178.83 175.36 3cem h ASN 106 N -0.49 -1.02 -0.74 -0.69 2.35 -1.92 0.15 115.58 113.22 3cem h ASN 106 Ca -0.04 0.17 -0.05 0.00 -0.55 0.00 0.00 56.30 55.82 3cem h ASN 106 Cb 0.39 0.46 -0.03 0.00 0.05 0.00 0.00 38.32 39.19 3cem h ASN 106 CO 0.06 -0.33 0.27 0.00 -1.65 0.00 0.00 177.43 175.77 3cem h ALA 107 N 0.60 0.96 0.35 -0.83 0.00 -1.85 -0.36 119.26 118.14 3cem h ALA 107 Ca 0.13 -0.20 -0.02 0.00 0.00 0.00 0.00 54.91 54.82 3cem h ALA 107 Cb 0.53 -0.29 0.00 0.00 0.00 0.00 0.00 17.79 18.04 3cem h ALA 107 CO -0.44 0.61 -0.17 0.00 0.00 0.00 0.00 179.25 179.25 3cem n ASP 109 N -5.18 -0.59 -0.22 0.00 8.00 0.50 -1.04 116.55 118.02 3cem n ASP 109 Ca -0.10 1.42 -0.07 0.00 0.71 0.00 0.00 54.79 56.75 3cem n ASP 109 Cb 0.27 -0.30 0.04 0.00 -0.02 0.00 0.00 41.12 41.11 3cem n ASP 109 CO 0.00 0.00 0.00 -0.08 -0.39 0.00 0.00 177.20 176.73 3cem h GLU 110 N 0.00 0.87 -0.39 -1.24 4.57 -0.92 -1.36 114.58 116.11 3cem h GLU 110 Ca 0.25 -0.11 0.02 0.00 -1.18 0.00 0.00 59.36 58.34 3cem h GLU 110 Cb 0.45 -0.17 -0.03 0.00 -0.16 0.00 0.00 28.75 28.85 3cem h GLU 110 CO -0.80 0.66 0.22 0.00 -1.18 0.00 0.00 179.01 177.92 3cem h ALA 111 N 1.15 0.48 -0.16 2.92 0.00 -0.42 -1.79 119.26 121.44 3cem h ALA 111 Ca 0.22 -0.00 -0.04 0.00 0.00 0.00 0.00 54.91 55.08 3cem h ALA 111 Cb 0.06 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 17.74 3cem h ALA 111 CO -0.03 -0.12 -0.07 0.82 0.00 0.00 0.00 179.25 179.84 3cem h ILE 112 N 0.44 1.31 -0.59 0.00 1.08 -0.92 -2.11 117.51 116.72 3cem h ILE 112 Ca 0.16 -1.10 0.12 0.00 -0.39 0.00 0.00 64.86 63.65 3cem h ILE 112 Cb 0.02 1.69 -0.11 0.00 -3.07 0.00 0.00 36.82 35.35 3cem h ILE 112 CO -0.08 0.32 -0.10 0.22 -0.69 0.00 0.00 178.15 177.83 3cem h TYR 113 N 0.02 -0.22 0.00 1.37 3.20 -1.26 -1.10 116.97 118.98 3cem h TYR 113 Ca 0.04 0.05 -0.06 0.00 3.14 0.00 0.00 58.73 61.90 3cem h TYR 113 Cb 0.54 0.19 -0.01 0.00 1.54 0.00 0.00 36.73 38.99 3cem h TYR 113 CO 0.06 -0.22 -0.29 1.96 -1.64 0.00 0.00 178.16 178.03 3cem h GLN 114 N 0.03 0.00 0.00 1.82 4.20 -1.06 -0.48 115.11 119.63 3cem h GLN 114 Ca 0.29 0.00 0.00 0.00 0.06 0.00 0.00 58.65 59.00 3cem h GLN 114 Cb 0.45 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.23 3cem h GLN 114 CO -0.57 0.29 0.00 1.28 -0.67 0.00 0.00 178.83 179.16 3cem n LEU 115 N -3.79 0.00 0.00 1.46 4.77 -0.82 -4.89 117.00 113.74 3cem n LEU 115 Ca -0.01 0.16 0.00 0.00 -0.03 0.00 0.00 56.01 56.13 3cem n LEU 115 Cb 0.38 -0.16 0.00 0.00 -2.33 0.00 0.00 43.42 41.31 3cem n LEU 115 CO 0.35 -0.03 0.00 0.61 -1.33 0.00 0.00 177.39 176.99 3cem n GLY 116 N 0.69 0.55 3.63 -0.72 0.00 -0.19 -5.07 105.19 104.08 3cem n GLY 116 Ca 0.15 -0.84 -0.24 0.00 0.00 0.00 0.00 46.02 45.10 3cem n GLY 116 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3cem s LEU 117 N 0.00 3.06 -0.38 0.99 1.43 -0.45 -5.02 118.68 118.30 3cem s LEU 117 Ca 0.00 -0.82 -0.12 0.00 -1.03 0.00 0.00 54.13 52.16 3cem s LEU 117 Cb 0.00 -1.53 0.03 0.00 0.03 0.00 0.00 46.19 44.72 3cem s LEU 117 CO 0.00 -0.10 0.23 -0.62 0.23 0.00 0.00 176.35 176.09 3cem s ASP 118 N -3.69 5.82 0.29 2.29 3.68 -1.26 -3.82 116.67 119.98 3cem s ASP 118 Ca 0.33 -0.99 -0.02 0.00 2.13 0.00 0.00 52.55 54.00 3cem s ASP 118 Cb -0.04 -2.05 0.43 0.00 -1.45 0.00 0.00 42.92 39.81 3cem s ASP 118 CO 0.19 -0.40 1.91 -0.29 0.13 0.00 0.00 175.17 176.71 3cem h ILE 119 N 5.83 1.21 0.09 4.11 6.09 -1.94 -2.08 117.51 130.83 3cem h ILE 119 Ca -0.26 -0.56 0.01 0.00 -1.37 0.00 0.00 64.86 62.68 3cem h ILE 119 Cb 1.11 0.30 -0.01 0.00 0.47 0.00 0.00 36.82 38.68 3cem h ILE 119 CO 0.68 0.24 -0.10 -0.33 -3.07 0.00 0.00 178.15 175.58 3cem h GLU 120 N 0.97 -0.21 -0.80 2.19 4.39 -1.98 -0.79 114.58 118.35 3cem h GLU 120 Ca 0.24 0.01 0.10 0.00 0.34 0.00 0.00 59.36 60.05 3cem h GLU 120 Cb 0.06 0.05 -0.07 0.00 -0.10 0.00 0.00 28.75 28.68 3cem h GLU 120 CO -0.04 -0.14 0.45 0.93 -1.16 0.00 0.00 179.01 179.06 3cem h GLU 121 N -0.21 0.73 -0.48 2.33 5.08 -1.83 0.97 114.58 121.16 3cem h GLU 121 Ca 0.01 -0.04 -0.03 0.00 -1.00 0.00 0.00 59.36 58.30 3cem h GLU 121 Cb 0.21 -0.16 -0.02 0.00 0.50 0.00 0.00 28.75 29.28 3cem h GLU 121 CO -0.04 0.48 0.19 -0.07 -1.00 0.00 0.00 179.01 178.57 3cem h LEU 122 N 0.75 0.66 -1.26 1.33 3.38 -1.06 -2.78 115.31 116.34 3cem h LEU 122 Ca 0.39 -0.17 -0.07 0.00 0.09 0.00 0.00 57.88 58.12 3cem h LEU 122 Cb 0.37 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 40.94 3cem h LEU 122 CO -0.25 0.65 -0.35 -0.33 0.09 0.00 0.00 178.44 178.25 3cem h GLU 123 N 0.63 0.00 0.00 1.13 5.08 -0.31 -2.83 114.58 118.28 3cem h GLU 123 Ca 0.16 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.52 3cem h GLU 123 Cb 0.20 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.45 3cem h GLU 123 CO -0.01 0.35 0.00 0.93 -1.00 0.00 0.00 179.01 179.28 3cem h GLU 124 N 0.00 0.00 -0.21 2.33 4.39 -0.55 -3.16 114.58 117.38 3cem h GLU 124 Ca -0.00 0.00 -0.06 0.00 0.34 0.00 0.00 59.36 59.64 3cem h GLU 124 Cb 0.69 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.33 3cem h GLU 124 CO 0.05 0.00 -0.13 0.82 -1.16 0.00 0.00 179.01 178.59 3cem h ILE 125 N 0.00 1.20 -3.30 3.13 1.08 -1.46 -3.44 117.51 114.72 3cem h ILE 125 Ca 0.00 -0.90 -0.53 0.00 -0.39 0.00 0.00 64.86 63.05 3cem h ILE 125 Cb 0.84 1.19 0.05 0.00 -3.07 0.00 0.00 36.82 35.83 3cem h ILE 125 CO 0.00 0.29 0.77 -0.70 -0.69 0.00 0.00 178.15 177.82 3cem s GLU 126 N -4.72 4.26 0.37 2.37 2.12 -1.20 -4.99 118.70 116.90 3cem s GLU 126 Ca -0.06 2.31 -0.26 0.00 0.36 0.00 0.00 54.97 57.32 3cem s GLU 126 Cb 0.15 -3.12 -0.09 0.00 0.26 0.00 0.00 34.13 31.33 3cem s GLU 126 CO 0.75 -0.45 1.10 -1.21 -0.54 0.00 0.00 175.26 174.91 3cem s GLU 127 N -0.15 4.25 0.26 4.30 0.41 -1.26 -5.01 118.70 121.50 3cem s GLU 127 Ca 0.61 1.69 -0.30 0.00 -0.41 0.00 0.00 54.97 56.56 3cem s GLU 127 Cb -0.42 -2.75 -0.10 0.00 -1.78 0.00 0.00 34.13 29.08 3cem s GLU 127 CO 0.41 -0.11 1.45 -0.51 -0.49 0.00 0.00 175.26 176.01 3cem s ASP 128 N -1.25 6.62 -0.95 -0.19 -0.00 -1.26 -4.66 116.67 114.97 3cem s ASP 128 Ca 0.54 2.71 -0.22 0.00 -0.00 0.00 0.00 52.55 55.58 3cem s ASP 128 Cb -0.27 -2.63 0.07 0.00 -0.00 0.00 0.00 42.92 40.09 3cem s ASP 128 CO 0.34 -0.72 1.32 0.00 -0.00 0.00 0.00 175.17 176.12 3cem s ALA 129 N -0.12 2.92 -1.09 5.23 0.00 -0.59 -4.88 121.76 123.22 3cem s ALA 129 Ca 0.59 -2.31 -0.02 0.00 0.00 0.00 0.00 51.96 50.22 3cem s ALA 129 Cb -0.42 -4.34 0.28 0.00 0.00 0.00 0.00 23.12 18.63 3cem s ALA 129 CO 0.45 -3.37 1.94 0.41 0.00 0.00 0.00 175.76 175.19 3cem n GLY 130 N 6.30 5.96 1.93 0.00 0.00 -1.26 -2.37 105.19 115.75 3cem n GLY 130 Ca 0.26 -2.47 -0.19 0.00 0.00 0.00 0.00 46.02 43.62 3cem n GLY 130 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3cem n LEU 131 N 0.30 6.11 -3.99 0.99 4.77 -1.19 -0.40 117.00 123.59 3cem n LEU 131 Ca 0.50 -3.23 -0.11 0.00 -0.03 0.00 0.00 56.01 53.14 3cem n LEU 131 Cb 0.26 -0.85 -0.03 0.00 -2.33 0.00 0.00 43.42 40.47 3cem n LEU 131 CO 0.55 1.05 0.25 -0.83 -1.33 0.00 0.00 177.39 177.08 3cem s GLY 132 N -0.58 0.87 -0.22 -0.72 0.00 -1.26 -1.36 107.32 104.06 3cem s GLY 132 Ca 0.41 -1.09 0.11 0.00 0.00 0.00 0.00 44.72 44.15 3cem s GLY 132 CO 0.04 -0.69 -0.04 0.70 0.00 0.00 0.00 173.10 173.11 3cem n ASN 133 N -1.02 0.90 0.00 1.64 3.02 -1.26 -4.47 115.26 114.07 3cem n ASN 133 Ca -0.02 -0.05 0.00 0.00 -0.03 0.00 0.00 54.58 54.48 3cem n ASN 133 Cb 0.61 0.45 0.00 0.00 -0.61 0.00 0.00 39.78 40.23 3cem n ASN 133 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3cem n GLY 134 N 1.99 -0.65 0.33 7.41 0.00 -1.26 -4.90 105.19 108.10 3cem n GLY 134 Ca -0.37 0.18 -0.05 0.00 0.00 0.00 0.00 46.02 45.78 3cem n GLY 134 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 3cem h GLY 135 N 0.00 1.17 0.85 -0.02 0.00 -1.98 -1.82 103.07 101.27 3cem h GLY 135 Ca 0.00 -0.65 -0.01 0.00 0.00 0.00 0.00 47.33 46.68 3cem h GLY 135 CO 0.00 0.61 -0.22 -2.00 0.00 0.00 0.00 176.54 174.92 3cem h LEU 136 N 1.05 -0.57 -1.54 3.11 6.46 -1.99 0.68 115.31 122.51 3cem h LEU 136 Ca 0.24 0.04 0.02 0.00 -0.12 0.00 0.00 57.88 58.06 3cem h LEU 136 Cb 0.24 0.18 -0.03 0.00 -0.73 0.00 0.00 40.66 40.32 3cem h LEU 136 CO -0.02 -0.35 0.34 1.23 -0.62 0.00 0.00 178.44 179.02 3cem h GLY 137 N -0.54 0.68 1.78 3.75 0.00 -1.77 -2.66 103.07 104.31 3cem h GLY 137 Ca -0.03 -0.24 -0.23 0.00 0.00 0.00 0.00 47.33 46.83 3cem h GLY 137 CO 0.01 0.22 -1.15 -0.09 0.00 0.00 0.00 176.54 175.53 3cem h ARG 138 N 0.62 0.05 -0.38 4.80 9.65 -1.04 -1.38 114.38 126.70 3cem h ARG 138 Ca 0.20 -0.08 0.03 0.00 -1.10 0.00 0.00 59.98 59.03 3cem h ARG 138 Cb 0.04 0.03 -0.03 0.00 -1.39 0.00 0.00 29.97 28.61 3cem h ARG 138 CO -0.05 0.96 0.19 1.25 2.80 0.00 0.00 179.97 185.13 3cem h LEU 139 N 0.01 0.28 -0.71 3.80 5.85 -0.62 -1.01 115.31 122.92 3cem h LEU 139 Ca -0.07 0.02 0.12 0.00 0.84 0.00 0.00 57.88 58.78 3cem h LEU 139 Cb 1.84 -0.04 -0.08 0.00 0.37 0.00 0.00 40.66 42.75 3cem h LEU 139 CO 0.13 0.21 0.29 0.00 -0.34 0.00 0.00 178.44 178.73 3cem h ALA 140 N 1.19 0.96 -0.51 1.25 0.00 -1.41 0.21 119.26 120.96 3cem h ALA 140 Ca 0.16 0.10 -0.07 0.00 0.00 0.00 0.00 54.91 55.10 3cem h ALA 140 Cb 0.06 0.06 -0.02 0.00 0.00 0.00 0.00 17.79 17.89 3cem h ALA 140 CO -0.11 -0.18 0.06 0.00 0.00 0.00 0.00 179.25 179.03 3cem h ALA 141 N 1.49 0.68 -0.56 0.00 0.00 -1.33 -1.32 119.26 118.21 3cem h ALA 141 Ca 0.37 -0.25 -0.06 0.00 0.00 0.00 0.00 54.91 54.97 3cem h ALA 141 Cb 0.51 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 18.08 3cem h ALA 141 CO -0.35 0.44 0.12 0.00 0.00 0.00 0.00 179.25 179.46 3cem h PHE 143 N 0.83 1.17 -0.52 0.00 -1.00 -0.29 -1.09 116.94 116.05 3cem h PHE 143 Ca 0.18 -0.06 -0.05 0.00 2.81 0.00 0.00 57.97 60.84 3cem h PHE 143 Cb 0.32 -0.36 -0.02 0.00 3.61 0.00 0.00 35.95 39.50 3cem h PHE 143 CO 0.02 0.86 0.12 -0.07 -1.61 0.00 0.00 178.31 177.63 3cem h LEU 144 N 1.15 0.80 -0.94 1.54 3.38 -0.93 0.12 115.31 120.43 3cem h LEU 144 Ca 0.27 -0.24 -0.03 0.00 0.09 0.00 0.00 57.88 57.98 3cem h LEU 144 Cb 0.14 -0.21 -0.04 0.00 0.09 0.00 0.00 40.66 40.64 3cem h LEU 144 CO -0.03 0.83 0.41 -0.78 0.09 0.00 0.00 178.44 178.95 3cem h ASP 145 N 0.73 1.05 -0.02 -0.43 3.58 -0.99 -1.12 116.42 119.22 3cem h ASP 145 Ca 0.16 -0.12 -0.05 0.00 0.42 0.00 0.00 57.03 57.45 3cem h ASP 145 Cb 0.34 -0.27 0.00 0.00 1.72 0.00 0.00 39.33 41.13 3cem h ASP 145 CO 0.00 0.88 -0.18 0.28 -2.88 0.00 0.00 179.24 177.34 3cem h SER 146 N 1.16 0.19 -0.93 2.28 0.02 -0.76 -1.03 113.55 114.49 3cem h SER 146 Ca 0.28 -0.71 0.09 0.00 -0.84 0.00 0.00 61.79 60.61 3cem h SER 146 Cb 0.09 -0.06 -0.07 0.00 0.14 0.00 0.00 62.40 62.51 3cem h SER 146 CO -0.04 0.87 0.60 0.24 -1.14 0.00 0.00 176.83 177.36 3cem h MET 147 N -0.48 0.93 -0.14 3.45 2.86 -0.64 0.37 114.93 121.28 3cem h MET 147 Ca -0.02 -0.06 -0.22 0.00 -2.06 0.00 0.00 59.70 57.35 3cem h MET 147 Cb 0.88 -0.21 0.01 0.00 0.06 0.00 0.00 31.60 32.34 3cem h MET 147 CO 0.04 0.62 -0.76 0.00 1.06 0.00 0.00 176.91 177.87 3cem h ALA 148 N 1.53 0.28 -0.12 6.32 0.00 -1.04 -1.01 119.26 125.22 3cem h ALA 148 Ca 0.43 -0.59 -0.01 0.00 0.00 0.00 0.00 54.91 54.73 3cem h ALA 148 Cb 0.36 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.13 3cem h ALA 148 CO -0.18 0.64 0.03 1.15 0.00 0.00 0.00 179.25 180.89 3cem h THR 149 N 0.48 1.06 -0.00 0.00 2.02 -0.61 -1.83 112.91 114.02 3cem h THR 149 Ca -0.06 -0.20 0.00 0.00 0.77 0.00 0.00 66.41 66.93 3cem h THR 149 Cb 1.39 0.93 0.00 0.00 -1.74 0.00 0.00 68.15 68.73 3cem h THR 149 CO 0.16 0.07 -0.33 0.18 0.37 0.00 0.00 175.52 175.97 3cem n LEU 150 N -4.47 0.73 0.00 2.58 4.32 0.07 -4.70 117.00 115.52 3cem n LEU 150 Ca -0.01 -0.10 0.00 0.00 -0.02 0.00 0.00 56.01 55.87 3cem n LEU 150 Cb 0.12 -0.19 0.00 0.00 -1.62 0.00 0.00 43.42 41.73 3cem n LEU 150 CO 0.35 0.15 0.00 0.61 -1.22 0.00 0.00 177.39 177.28 3cem n GLY 151 N 1.40 0.42 3.87 -0.72 0.00 -0.69 -1.52 105.19 107.94 3cem n GLY 151 Ca 0.10 -1.01 -0.31 0.00 0.00 0.00 0.00 46.02 44.80 3cem n GLY 151 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3cem s LEU 152 N 0.00 3.79 -1.25 0.99 1.43 -0.45 -4.12 118.68 119.07 3cem s LEU 152 Ca 0.00 1.23 -0.15 0.00 -1.03 0.00 0.00 54.13 54.18 3cem s LEU 152 Cb 0.00 -4.12 0.13 0.00 0.03 0.00 0.00 46.19 42.23 3cem s LEU 152 CO 0.00 -0.44 1.56 0.00 0.23 0.00 0.00 176.35 177.70 3cem n ALA 153 N -1.35 3.77 -2.36 4.21 0.00 -1.26 -4.69 120.51 118.83 3cem n ALA 153 Ca 0.03 -4.09 -0.30 0.00 0.00 0.00 0.00 53.44 49.08 3cem n ALA 153 Cb 0.54 -3.27 -0.14 0.00 0.00 0.00 0.00 19.45 16.58 3cem n ALA 153 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3cem s ALA 154 N 2.57 2.32 -0.03 0.00 0.00 -1.26 -0.01 121.76 125.35 3cem s ALA 154 Ca 0.47 -1.24 0.02 0.00 0.00 0.00 0.00 51.96 51.21 3cem s ALA 154 Cb -0.00 -0.54 0.01 0.00 0.00 0.00 0.00 23.12 22.59 3cem s ALA 154 CO 0.03 0.54 -0.08 0.71 0.00 0.00 0.00 175.76 176.96 3cem s TYR 155 N -0.81 0.88 -0.01 0.00 2.02 -0.28 -4.06 117.35 115.09 3cem s TYR 155 Ca 0.12 -0.23 -0.13 0.00 -0.37 0.00 0.00 57.07 56.47 3cem s TYR 155 Cb -0.10 -0.65 -0.05 0.00 -0.40 0.00 0.00 41.96 40.75 3cem s TYR 155 CO 0.02 -0.12 0.36 0.20 -1.57 0.00 0.00 175.55 174.45 3cem s GLY 156 N 0.33 2.41 -0.08 0.71 0.00 -0.94 -0.50 107.32 109.25 3cem s GLY 156 Ca -0.05 -0.31 0.02 0.00 0.00 0.00 0.00 44.72 44.38 3cem s GLY 156 CO 0.01 0.01 -0.15 -0.19 0.00 0.00 0.00 173.10 172.78 3cem s TYR 157 N -1.12 1.72 0.00 1.90 1.51 -0.17 -0.93 117.35 120.26 3cem s TYR 157 Ca 0.24 -0.68 0.00 0.00 -1.01 0.00 0.00 57.07 55.62 3cem s TYR 157 Cb -0.16 -1.23 0.00 0.00 -0.11 0.00 0.00 41.96 40.46 3cem s TYR 157 CO 0.13 -0.33 0.00 0.41 -1.11 0.00 0.00 175.55 174.65 3cem n GLY 158 N 3.82 2.84 3.70 0.71 0.00 -0.93 -2.04 105.19 113.28 3cem n GLY 158 Ca -0.22 -0.99 -0.35 0.00 0.00 0.00 0.00 46.02 44.47 3cem n GLY 158 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3cem s ILE 159 N -2.77 4.44 -1.25 -0.61 1.01 -1.26 -0.79 121.20 119.98 3cem s ILE 159 Ca 0.00 -0.20 -0.15 0.00 0.00 0.00 0.00 60.65 60.30 3cem s ILE 159 Cb 0.00 -2.88 0.14 0.00 0.01 0.00 0.00 42.46 39.73 3cem s ILE 159 CO 0.00 0.60 1.56 -1.14 0.00 0.00 0.00 174.94 175.96 3cem n ARG 160 N 2.17 3.31 -1.72 2.79 0.63 0.13 -4.70 116.66 119.27 3cem n ARG 160 Ca -0.19 -3.64 -0.42 0.00 -0.92 0.00 0.00 57.85 52.68 3cem n ARG 160 Cb 0.54 -3.19 -0.03 0.00 0.45 0.00 0.00 32.46 30.23 3cem n ARG 160 CO 0.00 0.00 0.00 0.66 -2.51 0.00 0.00 177.63 175.78 3cem n TYR 161 N 6.50 2.73 0.14 -0.14 4.01 -1.26 -4.74 117.16 124.41 3cem n TYR 161 Ca 0.41 0.14 0.03 0.00 -0.16 0.00 0.00 57.90 58.32 3cem n TYR 161 Cb 0.44 -2.63 0.41 0.00 -0.31 0.00 0.00 39.34 37.24 3cem n TYR 161 CO 0.00 0.00 0.00 1.49 -0.46 0.00 0.00 176.86 177.89 3cem h GLU 162 N 5.93 0.17 -4.28 -0.72 4.81 -0.56 -3.41 114.58 116.53 3cem h GLU 162 Ca -0.45 -0.04 -0.53 0.00 -0.13 0.00 0.00 59.36 58.21 3cem h GLU 162 Cb 1.22 -0.02 -0.37 0.00 0.63 0.00 0.00 28.75 30.21 3cem h GLU 162 CO 0.89 0.34 -0.81 0.71 -0.73 0.00 0.00 179.01 179.41 3cem s TYR 163 N -4.67 1.52 0.00 0.92 1.51 0.14 -4.14 117.35 112.63 3cem s TYR 163 Ca -0.05 -0.76 0.00 0.00 -1.01 0.00 0.00 57.07 55.26 3cem s TYR 163 Cb 0.15 -1.24 0.00 0.00 -0.11 0.00 0.00 41.96 40.76 3cem s TYR 163 CO 0.72 -0.51 0.00 0.41 -1.11 0.00 0.00 175.55 175.07 3cem n GLY 164 N 4.85 -0.23 3.74 0.71 0.00 -1.23 -1.54 105.19 111.49 3cem n GLY 164 Ca -0.14 -1.58 -0.42 0.00 0.00 0.00 0.00 46.02 43.89 3cem n GLY 164 CO 0.00 0.00 0.00 4.51 0.00 0.00 0.00 173.32 177.83 3cem n ILE 165 N -0.00 0.80 -1.65 -0.61 0.13 0.46 -4.46 119.36 114.02 3cem n ILE 165 Ca 0.00 -0.20 -0.39 0.00 -1.10 0.00 0.00 62.75 61.06 3cem n ILE 165 Cb 0.00 -1.97 0.04 0.00 -0.84 0.00 0.00 39.64 36.87 3cem n ILE 165 CO 0.00 0.00 0.00 2.22 2.80 0.00 0.00 176.55 181.57 3cem n PHE 166 N 2.53 1.34 -2.35 9.51 -1.74 -1.26 -4.59 117.46 120.90 3cem n PHE 166 Ca 0.10 0.46 -0.42 0.00 -0.56 0.00 0.00 57.45 57.03 3cem n PHE 166 Cb 0.36 -2.22 -0.03 0.00 1.52 0.00 0.00 39.48 39.11 3cem n PHE 166 CO 0.00 0.00 0.00 -0.80 -0.56 0.00 0.00 176.76 175.40 3cem s ASN 167 N -1.06 7.00 -0.18 5.98 0.02 -0.21 -4.89 114.94 121.59 3cem s ASN 167 Ca 0.73 2.08 -0.15 0.00 -1.02 0.00 0.00 52.86 54.49 3cem s ASN 167 Cb -0.44 -2.58 -0.04 0.00 0.02 0.00 0.00 41.25 38.21 3cem s ASN 167 CO 0.49 -0.54 0.33 -1.58 0.02 0.00 0.00 177.10 175.82 3cem s GLN 168 N 1.31 4.22 0.24 -0.60 0.74 -1.26 -0.29 119.66 124.01 3cem s GLN 168 Ca 0.60 0.13 0.11 0.00 0.05 0.00 0.00 55.36 56.24 3cem s GLN 168 Cb -0.31 -3.48 -0.05 0.00 1.10 0.00 0.00 33.01 30.28 3cem s GLN 168 CO 0.28 0.11 -0.13 0.15 -0.55 0.00 0.00 175.29 175.16 3cem s LYS 169 N 0.85 1.90 -0.24 1.67 -0.14 -0.81 -3.67 119.74 119.30 3cem s LYS 169 Ca 0.17 -1.53 -0.03 0.00 -1.36 0.00 0.00 55.97 53.22 3cem s LYS 169 Cb -0.14 -1.97 0.01 0.00 -1.68 0.00 0.00 37.83 34.05 3cem s LYS 169 CO 0.06 0.37 -0.03 0.42 -0.76 0.00 0.00 175.35 175.41 3cem s ILE 170 N -2.15 3.25 -0.16 2.17 -1.09 -1.26 -0.33 121.20 121.63 3cem s ILE 170 Ca 0.28 -0.75 0.02 0.00 -2.23 0.00 0.00 60.65 57.96 3cem s ILE 170 Cb -0.07 -2.58 0.01 0.00 -1.58 0.00 0.00 42.46 38.25 3cem s ILE 170 CO 0.15 0.27 -0.20 -0.13 -1.23 0.00 0.00 174.94 173.81 3cem s ARG 171 N 1.42 3.04 -1.49 2.79 1.81 -0.04 -4.68 118.95 121.79 3cem s ARG 171 Ca 0.03 -0.83 -0.11 0.00 -1.72 0.00 0.00 55.73 53.10 3cem s ARG 171 Cb -0.16 -2.52 0.07 0.00 -0.45 0.00 0.00 34.95 31.89 3cem s ARG 171 CO -0.03 -0.09 0.91 -3.47 -0.68 0.00 0.00 175.30 171.93 3cem n ASP 172 N 4.30 -3.91 0.00 0.23 2.03 -1.26 -0.19 116.55 117.76 3cem n ASP 172 Ca -0.20 -0.80 0.00 0.00 0.52 0.00 0.00 54.79 54.31 3cem n ASP 172 Cb 0.51 -3.87 0.00 0.00 -0.72 0.00 0.00 41.12 37.04 3cem n ASP 172 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 3cem n GLY 173 N -1.68 0.31 3.89 0.27 0.00 -1.26 -5.01 105.19 101.72 3cem n GLY 173 Ca -0.04 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.67 3cem n GLY 173 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 3cem s TRP 174 N -1.91 3.47 0.12 1.61 0.52 0.74 -4.05 118.94 119.44 3cem s TRP 174 Ca 0.00 0.24 -0.31 0.00 0.02 0.00 0.00 56.10 56.05 3cem s TRP 174 Cb 0.00 -1.75 -0.08 0.00 -1.15 0.00 0.00 33.47 30.49 3cem s TRP 174 CO 0.00 0.59 1.38 -1.14 0.02 0.00 0.00 176.95 177.80 3cem s GLN 175 N -2.39 4.32 0.02 4.98 0.74 -1.26 -0.86 119.66 125.21 3cem s GLN 175 Ca 0.33 2.08 0.07 0.00 0.05 0.00 0.00 55.36 57.88 3cem s GLN 175 Cb -0.13 -3.24 -0.02 0.00 1.10 0.00 0.00 33.01 30.72 3cem s GLN 175 CO 0.25 -0.42 -0.20 0.08 -0.55 0.00 0.00 175.29 174.45 3cem s VAL 176 N 1.02 1.63 -0.15 1.34 1.01 0.55 -4.91 120.40 120.89 3cem s VAL 176 Ca 0.64 -1.06 -0.05 0.00 0.00 0.00 0.00 61.98 61.51 3cem s VAL 176 Cb -0.37 -1.39 -0.04 0.00 0.00 0.00 0.00 36.38 34.58 3cem s VAL 176 CO 0.31 0.30 0.03 -1.61 0.00 0.00 0.00 175.10 174.13 3cem s GLU 177 N -0.89 3.68 -0.03 2.72 8.01 -1.26 -1.93 118.70 129.01 3cem s GLU 177 Ca 0.08 -0.39 0.05 0.00 0.01 0.00 0.00 54.97 54.71 3cem s GLU 177 Cb -0.08 -3.05 -0.03 0.00 -4.31 0.00 0.00 34.13 26.66 3cem s GLU 177 CO 0.01 0.37 -0.17 -1.21 0.01 0.00 0.00 175.26 174.27 3cem s GLU 178 N 0.06 2.38 0.26 1.61 2.02 0.60 -5.00 118.70 120.63 3cem s GLU 178 Ca 0.04 -0.77 -0.30 0.00 0.02 0.00 0.00 54.97 53.95 3cem s GLU 178 Cb -0.13 -2.30 -0.11 0.00 0.10 0.00 0.00 34.13 31.69 3cem s GLU 178 CO 0.01 0.60 1.59 0.00 0.02 0.00 0.00 175.26 177.49 3cem s ALA 179 N -0.74 3.77 -0.93 5.21 0.00 -1.26 -1.04 121.76 126.77 3cem s ALA 179 Ca 0.12 1.53 -0.17 0.00 0.00 0.00 0.00 51.96 53.44 3cem s ALA 179 Cb -0.10 -3.64 0.16 0.00 0.00 0.00 0.00 23.12 19.54 3cem s ALA 179 CO 0.01 -0.92 1.05 0.34 0.00 0.00 0.00 175.76 176.23 3cem s ASP 180 N 0.65 6.72 -1.56 0.00 2.15 -1.26 -4.64 116.67 118.74 3cem s ASP 180 Ca 0.65 -2.35 -0.10 0.00 0.43 0.00 0.00 52.55 51.19 3cem s ASP 180 Cb -0.47 -2.34 -0.04 0.00 -0.30 0.00 0.00 42.92 39.77 3cem s ASP 180 CO 0.43 -0.88 2.78 -0.67 -0.17 0.00 0.00 175.17 176.66 3cem n ASP 181 N 5.63 8.10 0.27 -0.34 2.03 -1.26 -3.50 116.55 127.47 3cem n ASP 181 Ca 0.22 -2.70 0.18 0.00 0.52 0.00 0.00 54.79 53.00 3cem n ASP 181 Cb 0.48 -1.54 0.75 0.00 -0.72 0.00 0.00 41.12 40.09 3cem n ASP 181 CO 0.00 0.00 0.00 4.11 -1.92 0.00 0.00 177.20 179.39 3cem h TRP 182 N 5.05 0.00 -0.02 -0.67 5.08 -1.92 -2.42 115.95 121.05 3cem h TRP 182 Ca 0.81 0.00 0.00 0.00 1.08 0.00 0.00 58.89 60.78 3cem h TRP 182 Cb 0.33 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 26.49 3cem h TRP 182 CO 1.79 0.00 -0.30 1.28 -1.28 0.00 0.00 178.44 179.93 3cem n LEU 183 N -2.99 2.01 -0.35 0.11 4.77 -1.26 -4.65 117.00 114.64 3cem n LEU 183 Ca 0.00 -0.70 0.04 0.00 -0.03 0.00 0.00 56.01 55.33 3cem n LEU 183 Cb 0.26 -0.02 0.11 0.00 -2.33 0.00 0.00 43.42 41.44 3cem n LEU 183 CO 0.25 0.36 0.62 -1.14 -1.33 0.00 0.00 177.39 176.15 3cem n ARG 184 N 0.17 -0.12 -0.13 3.23 0.63 -0.91 -0.65 116.66 118.88 3cem n ARG 184 Ca 0.12 1.49 0.12 0.00 -0.92 0.00 0.00 57.85 58.66 3cem n ARG 184 Cb 0.47 -2.23 0.24 0.00 0.45 0.00 0.00 32.46 31.39 3cem n ARG 184 CO 0.00 0.00 0.00 0.66 -2.51 0.00 0.00 177.63 175.78 3cem n TYR 185 N -5.53 0.33 0.00 -0.14 0.53 -1.26 -5.06 117.16 106.03 3cem n TYR 185 Ca 0.14 -0.17 0.00 0.00 -1.02 0.00 0.00 57.90 56.85 3cem n TYR 185 Cb 0.46 0.00 0.00 0.00 -1.03 0.00 0.00 39.34 38.77 3cem n TYR 185 CO 0.00 0.00 0.00 0.41 -1.02 0.00 0.00 176.86 176.25 3cem n GLY 186 N 1.39 2.13 2.62 2.72 0.00 0.17 -5.01 105.19 109.21 3cem n GLY 186 Ca 0.18 -1.98 -0.29 0.00 0.00 0.00 0.00 46.02 43.93 3cem n GLY 186 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 3cem s ASN 187 N 0.00 3.53 0.00 1.61 3.84 -1.26 -4.82 114.94 117.84 3cem s ASN 187 Ca 0.00 -1.30 0.13 0.00 0.21 0.00 0.00 52.86 51.90 3cem s ASN 187 Cb 0.00 -0.51 0.63 0.00 -0.55 0.00 0.00 41.25 40.82 3cem s ASN 187 CO 0.00 -0.42 1.34 -0.81 -2.79 0.00 0.00 177.10 174.42 3cem n PRO 188 N 5.12 0.15 -0.15 0.43 -0.04 -1.26 -2.92 135.00 136.33 3cem n PRO 188 Ca -0.05 0.19 0.11 0.00 -0.04 0.00 0.00 63.50 63.71 3cem n PRO 188 Cb 0.43 -1.50 0.26 0.00 -0.04 0.00 0.00 33.50 32.65 3cem n PRO 188 CO 0.00 0.00 0.00 0.91 -0.04 0.00 0.00 175.50 176.37 3cem n TRP 189 N -1.33 0.39 -4.33 0.54 7.02 -1.26 -4.91 117.44 113.56 3cem n TRP 189 Ca 0.05 -0.19 -0.28 0.00 -1.02 0.00 0.00 57.50 56.06 3cem n TRP 189 Cb 0.11 0.00 -0.11 0.00 -2.42 0.00 0.00 31.31 28.89 3cem n TRP 189 CO 0.00 0.00 0.00 -1.83 -2.02 0.00 0.00 177.69 173.84 3cem s GLU 190 N -1.61 1.80 -0.12 -0.99 -1.05 -1.15 -4.18 118.70 111.40 3cem s GLU 190 Ca 0.36 -1.28 0.00 0.00 -0.15 0.00 0.00 54.97 53.90 3cem s GLU 190 Cb 0.21 -2.07 0.02 0.00 -0.44 0.00 0.00 34.13 31.85 3cem s GLU 190 CO 0.30 0.45 -0.11 0.21 0.95 0.00 0.00 175.26 177.06 3cem s LYS 191 N -2.46 1.84 0.45 -4.83 2.36 0.99 -4.90 119.74 113.20 3cem s LYS 191 Ca 0.20 -0.39 -0.25 0.00 -2.55 0.00 0.00 55.97 52.98 3cem s LYS 191 Cb -0.09 -1.75 -0.08 0.00 -1.05 0.00 0.00 37.83 34.85 3cem s LYS 191 CO 0.11 -0.20 1.41 -1.54 1.55 0.00 0.00 175.35 176.68 3cem s SER 192 N 1.45 5.90 -0.66 1.43 1.04 -1.26 -0.13 113.70 121.47 3cem s SER 192 Ca 0.02 2.89 0.05 0.00 0.48 0.00 0.00 55.95 59.39 3cem s SER 192 Cb -0.13 -2.65 0.25 0.00 0.10 0.00 0.00 66.02 63.59 3cem s SER 192 CO -0.07 -1.16 0.79 0.54 0.98 0.00 0.00 173.24 174.32 3cem n ARG 193 N -0.19 2.64 -0.18 4.02 5.12 -0.33 -4.88 116.66 122.85 3cem n ARG 193 Ca 0.05 -4.67 0.23 0.00 -1.93 0.00 0.00 57.85 51.53 3cem n ARG 193 Cb 0.42 -2.27 0.62 0.00 -1.16 0.00 0.00 32.46 30.07 3cem n ARG 193 CO 0.00 0.00 0.00 -1.00 -1.93 0.00 0.00 177.63 174.70 3cem h PRO 194 N 4.24 0.18 0.00 5.56 0.13 -1.94 0.14 132.00 140.31 3cem h PRO 194 Ca 0.20 -0.01 0.00 0.00 -0.87 0.00 0.00 66.00 65.32 3cem h PRO 194 Cb 0.66 -0.04 0.00 0.00 0.13 0.00 0.00 31.00 31.75 3cem h PRO 194 CO 0.87 0.12 0.00 -0.85 -0.23 0.00 0.00 178.00 177.90 3cem n GLU 195 N -4.39 0.11 -0.12 0.86 0.00 -1.26 -2.10 120.64 113.75 3cem n GLU 195 Ca 0.18 0.43 0.07 0.00 0.00 0.00 0.00 57.16 57.84 3cem n GLU 195 Cb 0.79 -1.75 0.13 0.00 0.00 0.00 0.00 31.44 30.61 3cem n GLU 195 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.13 178.32 3cem n PHE 196 N -1.97 0.30 -1.54 -1.84 3.72 0.48 -4.99 117.46 111.63 3cem n PHE 196 Ca 0.02 -0.26 -0.46 0.00 -0.05 0.00 0.00 57.45 56.70 3cem n PHE 196 Cb 0.15 -0.01 -0.02 0.00 -0.94 0.00 0.00 39.48 38.66 3cem n PHE 196 CO 0.00 0.00 0.00 -0.12 -0.05 0.00 0.00 176.76 176.59 3cem n MET 197 N 0.80 0.97 -3.88 -1.08 1.56 -0.89 -4.73 117.12 109.87 3cem n MET 197 Ca 0.12 0.34 -0.11 0.00 -0.27 0.00 0.00 57.70 57.78 3cem n MET 197 Cb 0.42 -1.61 -0.12 0.00 2.15 0.00 0.00 33.22 34.06 3cem n MET 197 CO 0.00 0.00 0.00 -0.51 -0.73 0.00 0.00 175.97 174.73 3cem s LEU 198 N 1.15 1.78 0.29 -0.89 1.43 -0.87 -4.99 118.68 116.58 3cem s LEU 198 Ca 0.61 -0.09 -0.10 0.00 -1.03 0.00 0.00 54.13 53.52 3cem s LEU 198 Cb -0.77 0.35 -0.07 0.00 0.03 0.00 0.00 46.19 45.72 3cem s LEU 198 CO 0.59 -0.18 0.63 -2.16 0.23 0.00 0.00 176.35 175.45 3cem s PRO 199 N -0.68 3.82 0.07 1.29 0.04 -1.26 -1.06 135.00 137.22 3cem s PRO 199 Ca -0.08 0.36 0.07 0.00 0.04 0.00 0.00 61.00 61.39 3cem s PRO 199 Cb -0.05 -2.56 -0.03 0.00 0.04 0.00 0.00 34.50 31.91 3cem s PRO 199 CO 0.00 0.21 -0.19 0.08 0.04 0.00 0.00 177.00 177.14 3cem s VAL 200 N -1.98 1.57 0.04 -0.36 1.01 0.17 -4.87 120.40 115.98 3cem s VAL 200 Ca 0.49 -1.35 0.07 0.00 0.00 0.00 0.00 61.98 61.19 3cem s VAL 200 Cb -0.11 -1.41 -0.03 0.00 0.00 0.00 0.00 36.38 34.83 3cem s VAL 200 CO 0.23 0.01 -0.19 -1.00 0.00 0.00 0.00 175.10 174.15 3cem s HIS 201 N -1.02 2.53 0.07 5.22 3.76 -1.26 -0.40 115.29 124.19 3cem s HIS 201 Ca 0.05 -0.27 -0.08 0.00 -0.15 0.00 0.00 55.06 54.61 3cem s HIS 201 Cb -0.09 -1.45 -0.01 0.00 1.11 0.00 0.00 32.58 32.14 3cem s HIS 201 CO 0.03 0.24 0.16 -0.06 -0.85 0.00 0.00 174.74 174.25 3cem s PHE 202 N -0.91 0.18 0.00 1.40 0.08 0.33 -4.96 117.98 114.10 3cem s PHE 202 Ca 0.14 -0.56 0.00 0.00 0.12 0.00 0.00 56.93 56.63 3cem s PHE 202 Cb -0.10 -0.10 0.00 0.00 -0.57 0.00 0.00 43.02 42.25 3cem s PHE 202 CO 0.05 -0.48 0.00 0.66 -0.10 0.00 0.00 175.22 175.35 3cem n TYR 203 N 0.21 0.00 -4.73 0.36 4.02 0.19 -1.09 117.16 116.13 3cem n TYR 203 Ca -0.16 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.73 3cem n TYR 203 Cb 0.61 0.01 0.00 0.00 -0.02 0.00 0.00 39.34 39.94 3cem n TYR 203 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 3cem n GLY 204 N 0.00 0.59 3.42 2.72 0.00 -1.24 -4.56 105.19 106.11 3cem n GLY 204 Ca 0.00 -0.78 -0.13 0.00 0.00 0.00 0.00 46.02 45.11 3cem n GLY 204 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3cem s LYS 205 N 0.00 1.17 0.06 1.61 -2.85 -0.00 -4.87 119.74 114.86 3cem s LYS 205 Ca 0.00 -0.33 -0.24 0.00 -1.00 0.00 0.00 55.97 54.40 3cem s LYS 205 Cb 0.00 0.54 -0.06 0.00 -2.06 0.00 0.00 37.83 36.25 3cem s LYS 205 CO 0.00 -0.47 0.72 0.08 0.10 0.00 0.00 175.35 175.78 3cem s VAL 206 N -3.09 4.70 -0.14 1.79 1.01 -1.26 -1.04 120.40 122.38 3cem s VAL 206 Ca -0.02 1.54 0.00 0.00 0.00 0.00 0.00 61.98 63.50 3cem s VAL 206 Cb -0.00 -4.07 -0.01 0.00 0.00 0.00 0.00 36.38 32.30 3cem s VAL 206 CO -0.07 0.42 -0.14 -1.61 0.00 0.00 0.00 175.10 173.70 3cem s GLU 207 N -0.35 3.33 -0.33 2.72 2.02 0.71 -4.96 118.70 121.85 3cem s GLU 207 Ca 0.36 -0.71 -0.12 0.00 0.02 0.00 0.00 54.97 54.53 3cem s GLU 207 Cb -0.20 -2.62 -0.01 0.00 0.10 0.00 0.00 34.13 31.39 3cem s GLU 207 CO 0.22 0.16 0.21 -1.01 0.02 0.00 0.00 175.26 174.86 3cem s HIS 208 N 0.48 3.21 0.37 1.61 3.76 -1.26 0.57 115.29 124.03 3cem s HIS 208 Ca -0.10 -0.36 0.03 0.00 -0.15 0.00 0.00 55.06 54.49 3cem s HIS 208 Cb -0.16 -2.43 -0.04 0.00 1.11 0.00 0.00 32.58 31.06 3cem s HIS 208 CO 0.05 -0.40 0.09 0.95 -0.85 0.00 0.00 174.74 174.58 3cem s THR 209 N 1.68 0.87 0.32 1.30 -4.23 0.10 -5.00 115.64 110.68 3cem s THR 209 Ca 0.05 -2.00 0.09 0.00 -1.18 0.00 0.00 61.69 58.65 3cem s THR 209 Cb -0.17 -2.53 0.31 0.00 1.34 0.00 0.00 72.50 71.44 3cem s THR 209 CO 0.09 0.00 1.70 0.78 -0.54 0.00 0.00 174.62 176.65 3cem h ASN 210 N 1.92 0.54 -0.04 3.99 2.35 -2.04 0.21 115.58 122.49 3cem h ASN 210 Ca -0.38 0.15 0.00 0.00 -0.55 0.00 0.00 56.30 55.52 3cem h ASN 210 Cb 1.26 0.09 0.00 0.00 0.05 0.00 0.00 38.32 39.72 3cem h ASN 210 CO 0.63 0.02 0.00 0.35 -1.65 0.00 0.00 177.43 176.78 3cem n THR 211 N -4.97 0.04 0.00 2.81 -2.24 -1.26 -5.05 114.28 103.61 3cem n THR 211 Ca 0.26 -0.20 0.00 0.00 -2.27 0.00 0.00 64.05 61.84 3cem n THR 211 Cb 0.77 0.22 0.00 0.00 -2.10 0.00 0.00 70.33 69.21 3cem n THR 211 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3cem n GLY 212 N 1.10 0.35 3.63 3.38 0.00 0.72 -5.03 105.19 109.35 3cem n GLY 212 Ca 0.19 -2.30 -0.37 0.00 0.00 0.00 0.00 46.02 43.54 3cem n GLY 212 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 3cem s THR 213 N -0.02 5.31 -0.03 2.61 -1.32 -1.26 -0.72 115.64 120.21 3cem s THR 213 Ca 0.00 0.27 0.02 0.00 -1.21 0.00 0.00 61.69 60.77 3cem s THR 213 Cb 0.00 -3.55 -0.03 0.00 -1.51 0.00 0.00 72.50 67.41 3cem s THR 213 CO 0.00 0.29 -0.07 -0.75 -2.21 0.00 0.00 174.62 171.88 3cem s LYS 214 N 1.40 2.64 -0.33 7.08 2.20 0.19 -4.91 119.74 128.01 3cem s LYS 214 Ca 0.09 -0.65 -0.08 0.00 -0.36 0.00 0.00 55.97 54.97 3cem s LYS 214 Cb -0.15 -2.54 0.02 0.00 -1.51 0.00 0.00 37.83 33.65 3cem s LYS 214 CO 0.07 0.63 0.13 -0.46 -0.36 0.00 0.00 175.35 175.36 3cem s TRP 215 N -0.92 3.21 0.29 4.03 -0.00 -1.26 -0.20 118.94 124.08 3cem s TRP 215 Ca 0.15 -1.04 0.04 0.00 -0.00 0.00 0.00 56.10 55.25 3cem s TRP 215 Cb -0.11 -2.32 -0.06 0.00 -0.00 0.00 0.00 33.47 30.98 3cem s TRP 215 CO 0.05 -0.62 0.04 0.96 -0.00 0.00 0.00 176.95 177.38 3cem s ILE 216 N 1.50 1.11 -1.48 5.86 -4.36 -0.20 -4.79 121.20 118.84 3cem s ILE 216 Ca 0.02 -2.02 -0.04 0.00 -0.26 0.00 0.00 60.65 58.35 3cem s ILE 216 Cb -0.18 -2.63 0.02 0.00 1.25 0.00 0.00 42.46 40.91 3cem s ILE 216 CO 0.04 -0.11 0.35 0.47 0.24 0.00 0.00 174.94 175.93 3cem n ASP 217 N -0.58 -5.27 -4.87 4.36 8.00 -1.26 -0.82 116.55 116.10 3cem n ASP 217 Ca -0.03 -0.16 -0.30 0.00 0.71 0.00 0.00 54.79 55.00 3cem n ASP 217 Cb 0.66 -4.33 -0.00 0.00 -0.02 0.00 0.00 41.12 37.42 3cem n ASP 217 CO 0.00 0.00 0.00 0.42 -0.39 0.00 0.00 177.20 177.23 3cem s THR 218 N -3.01 4.72 0.05 -3.53 -4.23 -1.26 -3.66 115.64 104.73 3cem s THR 218 Ca 0.20 0.78 -0.16 0.00 -1.18 0.00 0.00 61.69 61.33 3cem s THR 218 Cb -0.10 -3.83 -0.06 0.00 1.34 0.00 0.00 72.50 69.86 3cem s THR 218 CO 0.25 -0.94 0.49 -1.10 -0.54 0.00 0.00 174.62 172.78 3cem s GLN 219 N -4.74 4.02 -0.08 3.99 -1.52 -0.25 -4.89 119.66 116.18 3cem s GLN 219 Ca 0.54 0.52 -0.01 0.00 -1.95 0.00 0.00 55.36 54.47 3cem s GLN 219 Cb -0.11 -3.17 -0.03 0.00 -0.22 0.00 0.00 33.01 29.49 3cem s GLN 219 CO 0.45 0.63 -0.04 0.08 -0.25 0.00 0.00 175.29 176.17 3cem s VAL 220 N -1.17 3.93 -0.02 1.09 1.01 -1.26 -0.51 120.40 123.46 3cem s VAL 220 Ca 0.28 -0.39 0.03 0.00 0.00 0.00 0.00 61.98 61.90 3cem s VAL 220 Cb -0.17 -2.63 0.00 0.00 0.00 0.00 0.00 36.38 33.58 3cem s VAL 220 CO 0.17 0.59 -0.09 -0.69 0.00 0.00 0.00 175.10 175.07 3cem s VAL 221 N -0.71 0.79 0.16 2.92 1.01 0.47 -4.37 120.40 120.67 3cem s VAL 221 Ca 0.11 -0.38 -0.19 0.00 0.00 0.00 0.00 61.98 61.52 3cem s VAL 221 Cb -0.11 -0.69 -0.08 0.00 0.00 0.00 0.00 36.38 35.50 3cem s VAL 221 CO 0.02 0.24 0.65 -0.76 0.00 0.00 0.00 175.10 175.25 3cem s LEU 222 N 0.09 4.41 -0.27 3.92 1.43 0.52 -0.66 118.68 128.12 3cem s LEU 222 Ca -0.02 1.32 -0.03 0.00 -1.03 0.00 0.00 54.13 54.38 3cem s LEU 222 Cb -0.07 -3.33 0.03 0.00 0.03 0.00 0.00 46.19 42.85 3cem s LEU 222 CO 0.00 0.12 -0.02 0.00 0.23 0.00 0.00 176.35 176.68 3cem s ALA 223 N -1.38 2.79 -0.33 4.21 0.00 -0.22 -0.55 121.76 126.28 3cem s ALA 223 Ca 0.38 -1.53 -0.07 0.00 0.00 0.00 0.00 51.96 50.74 3cem s ALA 223 Cb -0.17 -1.83 0.03 0.00 0.00 0.00 0.00 23.12 21.14 3cem s ALA 223 CO 0.21 -0.94 0.11 -1.17 0.00 0.00 0.00 175.76 173.97 3cem s LEU 224 N 1.34 4.26 0.42 0.00 2.96 0.35 -2.05 118.68 125.96 3cem s LEU 224 Ca -0.01 -1.03 -0.22 0.00 -0.22 0.00 0.00 54.13 52.66 3cem s LEU 224 Cb -0.17 -1.89 -0.11 0.00 0.50 0.00 0.00 46.19 44.52 3cem s LEU 224 CO -0.02 -0.30 0.95 -2.16 -1.32 0.00 0.00 176.35 173.49 3cem s PRO 225 N 1.44 4.28 -0.03 0.98 0.04 -1.26 -1.24 135.00 139.21 3cem s PRO 225 Ca -0.00 1.15 0.06 0.00 0.04 0.00 0.00 61.00 62.24 3cem s PRO 225 Cb -0.19 -2.26 -0.01 0.00 0.04 0.00 0.00 34.50 32.08 3cem s PRO 225 CO 0.03 0.01 -0.20 0.71 0.04 0.00 0.00 177.00 177.59 3cem s TYR 226 N -2.10 1.93 -0.19 0.56 2.02 0.96 -1.19 117.35 119.34 3cem s TYR 226 Ca 0.60 -0.47 -0.07 0.00 -0.37 0.00 0.00 57.07 56.76 3cem s TYR 226 Cb -0.10 -1.27 -0.04 0.00 -0.40 0.00 0.00 41.96 40.15 3cem s TYR 226 CO 0.14 -0.11 0.05 -0.51 -1.57 0.00 0.00 175.55 173.55 3cem s ASP 227 N -0.25 5.49 -0.09 2.29 -0.00 0.82 -1.09 116.67 123.83 3cem s ASP 227 Ca 0.02 0.03 -0.01 0.00 -0.00 0.00 0.00 52.55 52.59 3cem s ASP 227 Cb -0.10 -1.94 -0.03 0.00 -0.00 0.00 0.00 42.92 40.85 3cem s ASP 227 CO 0.01 0.15 -0.05 -0.89 -0.00 0.00 0.00 175.17 174.39 3cem s THR 228 N 0.52 3.88 0.40 -1.27 2.01 -0.06 -0.01 115.64 121.10 3cem s THR 228 Ca 0.02 -0.40 -0.24 0.00 0.31 0.00 0.00 61.69 61.38 3cem s THR 228 Cb -0.13 -2.62 -0.09 0.00 0.01 0.00 0.00 72.50 69.67 3cem s THR 228 CO 0.01 0.58 1.06 -2.16 -0.69 0.00 0.00 174.62 173.42 3cem s PRO 229 N -0.57 4.16 -0.43 4.92 0.04 -1.26 -1.20 135.00 140.66 3cem s PRO 229 Ca 0.09 1.56 0.02 0.00 0.04 0.00 0.00 61.00 62.71 3cem s PRO 229 Cb -0.12 -2.57 0.13 0.00 0.04 0.00 0.00 34.50 31.98 3cem s PRO 229 CO 0.02 -0.15 0.22 0.08 0.04 0.00 0.00 177.00 177.20 3cem s VAL 230 N -1.61 1.50 0.07 -0.36 1.01 0.15 -4.85 120.40 116.31 3cem s VAL 230 Ca 0.57 -2.51 -0.30 0.00 0.00 0.00 0.00 61.98 59.74 3cem s VAL 230 Cb -0.23 -2.06 -0.05 0.00 0.00 0.00 0.00 36.38 34.03 3cem s VAL 230 CO 0.29 -0.85 1.13 -2.16 0.00 0.00 0.00 175.10 173.51 3cem s PRO 231 N 0.43 4.50 0.75 2.72 0.04 -1.26 -0.80 135.00 141.38 3cem s PRO 231 Ca 0.17 1.68 -0.12 0.00 0.04 0.00 0.00 61.00 62.76 3cem s PRO 231 Cb -0.24 -3.36 0.05 0.00 0.04 0.00 0.00 34.50 30.99 3cem s PRO 231 CO -0.02 -0.14 1.12 0.20 0.04 0.00 0.00 177.00 178.20 3cem s GLY 232 N 0.80 1.92 -0.50 0.56 0.00 0.65 -4.73 107.32 106.03 3cem s GLY 232 Ca 0.55 0.49 -0.29 0.00 0.00 0.00 0.00 44.72 45.47 3cem s GLY 232 CO 0.30 0.85 1.21 -0.47 0.00 0.00 0.00 173.10 174.99 3cem s TYR 233 N -2.56 2.68 -1.33 1.90 5.04 -1.26 -4.35 117.35 117.46 3cem s TYR 233 Ca 0.66 0.63 -0.03 0.00 -2.44 0.00 0.00 57.07 55.89 3cem s TYR 233 Cb -0.21 -4.44 0.01 0.00 0.35 0.00 0.00 41.96 37.68 3cem s TYR 233 CO 0.50 -1.48 0.82 -1.33 -1.34 0.00 0.00 175.55 172.72 3cem n MET 234 N 8.06 -5.45 -1.95 4.97 2.81 -0.02 -4.93 117.12 120.61 3cem n MET 234 Ca 0.12 0.66 -0.02 0.00 -1.81 0.00 0.00 57.70 56.65 3cem n MET 234 Cb 0.49 -5.37 -0.00 0.00 -0.71 0.00 0.00 33.22 27.62 3cem n MET 234 CO 0.00 0.00 0.00 0.27 1.51 0.00 0.00 175.97 177.75 3cem n ASN 235 N -3.03 -0.13 -0.88 7.83 0.23 -1.26 -5.07 115.26 112.95 3cem n ASN 235 Ca -0.23 -1.22 0.09 0.00 -0.53 0.00 0.00 54.58 52.69 3cem n ASN 235 Cb 0.65 0.26 0.25 0.00 -2.08 0.00 0.00 39.78 38.85 3cem n ASN 235 CO 0.00 0.00 0.00 0.59 -0.93 0.00 0.00 177.26 176.92 3cem n ASN 236 N -2.30 2.57 -4.68 0.53 3.02 -1.26 -4.87 115.26 108.26 3cem n ASN 236 Ca 0.00 -1.95 -0.37 0.00 -0.03 0.00 0.00 54.58 52.23 3cem n ASN 236 Cb 0.07 -0.28 -0.08 0.00 -0.61 0.00 0.00 39.78 38.88 3cem n ASN 236 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 3cem s THR 237 N -1.44 5.26 -0.24 3.41 2.01 -1.26 -4.73 115.64 118.65 3cem s THR 237 Ca 0.34 0.55 0.02 0.00 0.31 0.00 0.00 61.69 62.90 3cem s THR 237 Cb 0.18 -3.65 0.06 0.00 0.01 0.00 0.00 72.50 69.09 3cem s THR 237 CO 0.24 0.30 -0.08 -0.69 -0.69 0.00 0.00 174.62 173.70 3cem s VAL 238 N 1.09 1.80 0.82 3.82 1.01 -1.26 -0.25 120.40 127.43 3cem s VAL 238 Ca 0.16 -1.36 -0.07 0.00 0.00 0.00 0.00 61.98 60.71 3cem s VAL 238 Cb -0.14 -1.98 0.16 0.00 0.00 0.00 0.00 36.38 34.42 3cem s VAL 238 CO 0.06 -0.03 1.13 0.20 0.00 0.00 0.00 175.10 176.46 3cem s ASN 239 N 1.28 3.85 -0.05 3.32 0.02 0.02 -4.67 114.94 118.71 3cem s ASN 239 Ca -0.06 -0.11 0.07 0.00 -1.02 0.00 0.00 52.86 51.73 3cem s ASN 239 Cb -0.19 -0.13 -0.01 0.00 0.02 0.00 0.00 41.25 40.94 3cem s ASN 239 CO -0.06 -2.22 -0.25 -0.89 0.02 0.00 0.00 177.10 173.70 3cem s THR 240 N -3.45 2.06 -0.34 1.60 2.01 -1.26 0.32 115.64 116.58 3cem s THR 240 Ca 0.69 -1.08 -0.09 0.00 0.31 0.00 0.00 61.69 61.53 3cem s THR 240 Cb -0.05 -1.73 0.03 0.00 0.01 0.00 0.00 72.50 70.76 3cem s THR 240 CO 0.48 0.57 0.14 -0.32 -0.69 0.00 0.00 174.62 174.81 3cem s MET 241 N -0.28 2.83 -0.33 4.92 1.75 -0.34 -2.21 119.30 125.64 3cem s MET 241 Ca -0.00 -1.05 -0.10 0.00 -1.25 0.00 0.00 55.69 53.28 3cem s MET 241 Cb -0.13 -3.56 0.00 0.00 2.84 0.00 0.00 34.83 33.98 3cem s MET 241 CO 0.02 -0.62 0.18 0.50 -0.65 0.00 0.00 175.02 174.45 3cem s ARG 242 N 1.49 3.21 -0.06 4.11 3.52 -0.11 -0.88 118.95 130.23 3cem s ARG 242 Ca 0.01 -0.82 0.04 0.00 -0.13 0.00 0.00 55.73 54.83 3cem s ARG 242 Cb -0.19 -3.65 -0.02 0.00 -1.56 0.00 0.00 34.95 29.54 3cem s ARG 242 CO 0.05 -0.50 -0.17 -0.51 -0.81 0.00 0.00 175.30 173.35 3cem s LEU 243 N 1.61 2.54 -0.05 -0.88 1.43 -0.25 -2.20 118.68 120.89 3cem s LEU 243 Ca 0.04 -0.30 -0.14 0.00 -1.03 0.00 0.00 54.13 52.70 3cem s LEU 243 Cb -0.18 -1.51 -0.05 0.00 0.03 0.00 0.00 46.19 44.48 3cem s LEU 243 CO 0.07 0.29 0.37 0.26 0.23 0.00 0.00 176.35 177.57 3cem s TRP 244 N -0.43 3.65 -0.03 0.29 0.52 0.03 -0.03 118.94 122.95 3cem s TRP 244 Ca 0.05 0.87 0.07 0.00 0.02 0.00 0.00 56.10 57.12 3cem s TRP 244 Cb -0.12 -2.29 -0.02 0.00 -1.15 0.00 0.00 33.47 29.89 3cem s TRP 244 CO 0.02 0.54 -0.26 0.45 0.02 0.00 0.00 176.95 177.72 3cem s SER 245 N -0.65 3.06 -0.08 2.95 0.15 -0.37 0.22 113.70 118.98 3cem s SER 245 Ca 0.22 -0.48 -0.17 0.00 0.70 0.00 0.00 55.95 56.22 3cem s SER 245 Cb -0.15 -0.49 -0.05 0.00 -1.71 0.00 0.00 66.02 63.61 3cem s SER 245 CO 0.11 0.30 0.45 0.00 1.20 0.00 0.00 173.24 175.30 3cem s ALA 246 N -0.48 3.55 0.10 5.45 0.00 -1.26 -0.50 121.76 128.63 3cem s ALA 246 Ca 0.06 -0.20 0.05 0.00 0.00 0.00 0.00 51.96 51.87 3cem s ALA 246 Cb -0.11 -2.56 -0.04 0.00 0.00 0.00 0.00 23.12 20.41 3cem s ALA 246 CO 0.00 0.16 -0.12 1.03 0.00 0.00 0.00 175.76 176.84 3cem s ARG 247 N 0.05 0.89 0.25 0.00 1.81 0.29 -4.37 118.95 117.87 3cem s ARG 247 Ca 0.25 -1.15 -0.30 0.00 -1.72 0.00 0.00 55.73 52.81 3cem s ARG 247 Cb -0.16 -0.68 -0.09 0.00 -0.45 0.00 0.00 34.95 33.57 3cem s ARG 247 CO 0.11 0.12 1.07 0.00 -0.68 0.00 0.00 175.30 175.92 3cem s ALA 248 N -2.19 3.39 1.07 2.13 0.00 -1.26 -0.36 121.76 124.53 3cem s ALA 248 Ca 0.05 0.83 -0.13 0.00 0.00 0.00 0.00 51.96 52.72 3cem s ALA 248 Cb -0.04 -3.31 0.23 0.00 0.00 0.00 0.00 23.12 20.00 3cem s ALA 248 CO 0.01 -0.10 1.07 -1.25 0.00 0.00 0.00 175.76 175.49 3cem s PRO 249 N -1.21 -0.14 -0.28 0.00 0.04 -1.26 -4.75 135.00 127.40 3cem s PRO 249 Ca 0.45 0.66 0.17 0.00 0.04 0.00 0.00 61.00 62.32 3cem s PRO 249 Cb -0.30 -1.66 0.49 0.00 0.04 0.00 0.00 34.50 33.06 3cem s PRO 249 CO 0.38 -3.15 1.12 0.27 0.04 0.00 0.00 177.00 175.66 3cem n ASN 250 N -4.49 2.71 -1.93 6.66 0.23 -1.26 -4.68 115.26 112.51 3cem n ASN 250 Ca 0.04 -2.68 0.01 0.00 -0.53 0.00 0.00 54.58 51.42 3cem n ASN 250 Cb 0.56 -0.44 0.00 0.00 -2.08 0.00 0.00 39.78 37.82 3cem n ASN 250 CO 0.00 0.00 0.00 0.47 -0.93 0.00 0.00 177.26 176.80 3cem n ASP 251 N -0.58 -0.39 -0.75 0.53 10.43 -1.26 -5.30 116.55 119.23 3cem n ASP 251 Ca 0.20 -1.08 0.00 0.00 2.57 0.00 0.00 54.79 56.48 3cem n ASP 251 Cb 0.85 0.60 0.00 0.00 1.84 0.00 0.00 41.12 44.41 3cem n ASP 251 CO 0.00 0.00 0.00 0.33 -1.07 0.00 0.00 177.20 176.46 3cem n PHE 252 N -0.30 0.00 0.00 1.24 -0.00 -1.26 -5.22 117.46 111.92 3cem n PHE 252 Ca 0.01 0.00 0.00 0.00 -0.00 0.00 0.00 57.45 57.46 3cem n PHE 252 Cb 0.19 0.00 0.00 0.00 -0.00 0.00 0.00 39.48 39.67 3cem n PHE 252 CO 0.00 0.00 0.00 -3.47 -0.00 0.00 0.00 176.76 173.29 3cem n ASP 261 N 0.00 0.00 -0.04 -2.13 -0.08 -1.26 -4.59 116.55 108.45 3cem n ASP 261 Ca 0.00 0.00 -0.14 0.00 -1.51 0.00 0.00 54.79 53.14 3cem n ASP 261 Cb 0.00 0.00 -0.08 0.00 2.34 0.00 0.00 41.12 43.38 3cem n ASP 261 CO 0.00 0.00 0.00 0.22 0.12 0.00 0.00 177.20 177.54 3cem h TYR 262 N 0.22 0.35 -0.32 -0.67 3.20 -2.05 -1.75 116.97 115.96 3cem h TYR 262 Ca 0.00 -0.12 0.00 0.00 3.14 0.00 0.00 58.73 61.75 3cem h TYR 262 Cb 0.00 -0.07 -0.02 0.00 1.54 0.00 0.00 36.73 38.19 3cem h TYR 262 CO 0.00 0.77 0.20 0.82 -1.64 0.00 0.00 178.16 178.32 3cem h ILE 263 N -0.17 1.10 -0.38 1.81 1.08 -2.05 -0.51 117.51 118.38 3cem h ILE 263 Ca 0.01 -0.21 -0.01 0.00 -0.39 0.00 0.00 64.86 64.25 3cem h ILE 263 Cb 0.75 0.66 -0.02 0.00 -3.07 0.00 0.00 36.82 35.14 3cem h ILE 263 CO 0.04 0.10 0.19 -0.61 -0.69 0.00 0.00 178.15 177.17 3cem h GLN 264 N 0.42 0.53 -0.15 2.37 5.75 -1.99 -0.02 115.11 122.02 3cem h GLN 264 Ca 0.12 -0.05 -0.19 0.00 -0.15 0.00 0.00 58.65 58.37 3cem h GLN 264 Cb -0.02 -0.11 0.00 0.00 1.07 0.00 0.00 27.48 28.43 3cem h GLN 264 CO -0.02 0.41 -0.70 0.00 -2.65 0.00 0.00 178.83 175.86 3cem h ALA 265 N 1.68 0.50 -0.21 3.38 0.00 -0.68 -0.56 119.26 123.37 3cem h ALA 265 Ca 0.14 -0.58 -0.01 0.00 0.00 0.00 0.00 54.91 54.46 3cem h ALA 265 Cb 0.05 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 3cem h ALA 265 CO -0.02 0.71 0.10 0.28 0.00 0.00 0.00 179.25 180.32 3cem h VAL 266 N 0.44 1.14 -0.90 0.00 2.07 -0.18 -3.12 116.25 115.70 3cem h VAL 266 Ca -0.03 -0.42 0.04 0.00 0.82 0.00 0.00 66.70 67.12 3cem h VAL 266 Cb 1.29 1.03 -0.06 0.00 -1.52 0.00 0.00 31.29 32.04 3cem h VAL 266 CO 0.13 0.14 0.58 -0.07 0.02 0.00 0.00 177.57 178.37 3cem h LEU 267 N 0.20 0.95 0.00 2.57 3.38 -0.87 -2.39 115.31 119.15 3cem h LEU 267 Ca 0.07 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.04 3cem h LEU 267 Cb 0.13 -0.21 0.00 0.00 0.09 0.00 0.00 40.66 40.68 3cem h LEU 267 CO -0.01 0.64 0.00 0.47 0.09 0.00 0.00 178.44 179.63 3cem n ASP 268 N -4.54 0.00 0.27 -0.43 8.00 -0.23 -1.45 116.55 118.17 3cem n ASP 268 Ca 0.12 0.48 0.17 0.00 0.71 0.00 0.00 54.79 56.26 3cem n ASP 268 Cb 0.12 -0.48 0.90 0.00 -0.02 0.00 0.00 41.12 41.64 3cem n ASP 268 CO 0.00 0.00 0.00 0.03 -0.39 0.00 0.00 177.20 176.84 3cem h ARG 269 N 0.00 0.00 -1.05 -1.24 3.08 -1.42 -1.43 114.38 112.33 3cem h ARG 269 Ca 0.00 0.00 0.27 0.00 0.07 0.00 0.00 59.98 60.32 3cem h ARG 269 Cb 0.09 0.00 -0.10 0.00 0.08 0.00 0.00 29.97 30.04 3cem h ARG 269 CO 0.00 0.00 0.67 -0.91 -1.07 0.00 0.00 179.97 178.66 3cem h ASN 270 N 0.00 0.47 0.01 7.04 -0.26 -1.45 -2.03 115.58 119.36 3cem h ASN 270 Ca 0.03 0.10 -0.06 0.00 -0.56 0.00 0.00 56.30 55.81 3cem h ASN 270 Cb 0.22 0.02 -0.01 0.00 -1.06 0.00 0.00 38.32 37.49 3cem h ASN 270 CO -0.00 0.07 -0.16 -0.07 -1.06 0.00 0.00 177.43 176.21 3cem h LEU 271 N 0.40 0.28 -0.05 1.61 3.38 -1.49 0.21 115.31 119.65 3cem h LEU 271 Ca 0.62 -0.07 -0.11 0.00 0.09 0.00 0.00 57.88 58.41 3cem h LEU 271 Cb 1.53 -0.07 0.01 0.00 0.09 0.00 0.00 40.66 42.21 3cem h LEU 271 CO -0.34 0.46 -0.39 0.00 0.09 0.00 0.00 178.44 178.26 3cem h ALA 272 N 1.57 0.12 0.00 1.53 0.00 -1.54 -3.11 119.26 117.84 3cem h ALA 272 Ca 0.05 -0.48 -0.02 0.00 0.00 0.00 0.00 54.91 54.47 3cem h ALA 272 Cb 0.45 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.24 3cem h ALA 272 CO 0.03 0.24 -0.08 0.93 0.00 0.00 0.00 179.25 180.36 3cem h GLU 273 N -0.14 0.00 -0.27 0.00 5.08 -1.29 -2.57 114.58 115.39 3cem h GLU 273 Ca -0.03 0.00 0.08 0.00 -1.00 0.00 0.00 59.36 58.40 3cem h GLU 273 Cb 1.07 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.30 3cem h GLU 273 CO 0.08 0.08 0.37 -0.91 -1.00 0.00 0.00 179.01 177.63 3cem h ASN 274 N 0.00 0.00 -0.95 1.42 -0.26 -0.50 -2.22 115.58 113.06 3cem h ASN 274 Ca -0.00 0.00 0.09 0.00 -0.56 0.00 0.00 56.30 55.83 3cem h ASN 274 Cb 0.21 0.00 -0.07 0.00 -1.06 0.00 0.00 38.32 37.40 3cem h ASN 274 CO 0.01 0.00 0.61 0.40 -1.06 0.00 0.00 177.43 177.39 3cem h ILE 275 N 0.00 0.99 -0.43 2.81 2.04 -1.60 -2.24 117.51 119.09 3cem h ILE 275 Ca 0.13 -0.34 -0.15 0.00 1.00 0.00 0.00 64.86 65.49 3cem h ILE 275 Cb 0.86 -0.10 -0.09 0.00 -0.74 0.00 0.00 36.82 36.75 3cem h ILE 275 CO -0.00 0.18 0.06 -1.54 0.00 0.00 0.00 178.15 176.85 3cem n SER 276 N -4.54 3.40 -0.03 1.72 3.41 -0.84 -4.67 113.62 112.07 3cem n SER 276 Ca 0.16 -3.42 -0.14 0.00 -0.26 0.00 0.00 58.87 55.22 3cem n SER 276 Cb 0.29 -0.64 -0.09 0.00 -0.26 0.00 0.00 64.21 63.51 3cem n SER 276 CO 0.00 0.00 0.00 -0.09 -0.16 0.00 0.00 175.04 174.79 3cem h ARG 277 N 1.50 0.21 -3.01 4.33 2.43 -1.42 -0.70 114.38 117.73 3cem h ARG 277 Ca 0.18 -0.15 -0.15 0.00 -0.81 0.00 0.00 59.98 59.05 3cem h ARG 277 Cb 1.78 0.02 -0.25 0.00 -0.42 0.00 0.00 29.97 31.10 3cem h ARG 277 CO 0.44 0.77 -0.37 0.54 -1.51 0.00 0.00 179.97 179.83 3cem s VAL 278 N -3.80 -0.00 0.05 0.20 0.11 -1.26 0.26 120.40 115.95 3cem s VAL 278 Ca -0.15 0.01 -0.31 0.00 -2.93 0.00 0.00 61.98 58.60 3cem s VAL 278 Cb 0.03 -0.42 -0.06 0.00 -1.53 0.00 0.00 36.38 34.39 3cem s VAL 278 CO 0.73 0.00 1.36 -0.22 -3.33 0.00 0.00 175.10 173.64 3cem s LEU 279 N 0.24 4.34 0.00 2.54 2.96 -0.59 -4.95 118.68 123.22 3cem s LEU 279 Ca -0.01 2.16 -0.31 0.00 -0.22 0.00 0.00 54.13 55.75 3cem s LEU 279 Cb -0.03 -3.57 -0.10 0.00 0.50 0.00 0.00 46.19 42.99 3cem s LEU 279 CO -0.00 -0.65 1.95 -1.22 -1.32 0.00 0.00 176.35 175.11 3cem n TYR 280 N 4.63 2.47 -0.39 5.38 4.01 -1.26 -4.80 117.16 127.20 3cem n TYR 280 Ca 0.12 -0.28 -0.15 0.00 -0.16 0.00 0.00 57.90 57.43 3cem n TYR 280 Cb 0.44 -2.77 0.11 0.00 -0.31 0.00 0.00 39.34 36.81 3cem n TYR 280 CO 0.00 0.00 0.00 -0.35 -0.46 0.00 0.00 176.86 176.05 3cem n PRO 281 N 7.30 1.80 -2.92 -0.72 -0.04 -1.26 -4.91 135.00 134.25 3cem n PRO 281 Ca 0.21 -1.88 -0.40 0.00 -0.04 0.00 0.00 63.50 61.39 3cem n PRO 281 Cb 0.38 -1.74 -0.04 0.00 -0.04 0.00 0.00 33.50 32.06 3cem n PRO 281 CO 0.00 0.00 0.00 -0.80 -0.04 0.00 0.00 175.50 174.66 3cem s ASN 282 N -0.43 7.19 -0.17 3.54 0.01 -1.26 -4.32 114.94 119.50 3cem s ASN 282 Ca 0.35 1.43 -0.03 0.00 -0.71 0.00 0.00 52.86 53.90 3cem s ASN 282 Cb 0.30 -2.48 -0.02 0.00 0.41 0.00 0.00 41.25 39.46 3cem s ASN 282 CO 0.07 -0.11 -0.06 -0.62 -1.51 0.00 0.00 177.10 174.87 3cem s ASP 283 N 0.57 4.51 -1.55 -1.22 -1.08 -1.26 -4.69 116.67 111.95 3cem s ASP 283 Ca 0.42 -0.24 -0.12 0.00 -0.52 0.00 0.00 52.55 52.09 3cem s ASP 283 Cb -0.20 -1.74 0.09 0.00 -1.46 0.00 0.00 42.92 39.62 3cem s ASP 283 CO 0.23 0.12 0.83 0.59 0.52 0.00 0.00 175.17 177.46 3cem n ASN 284 N 3.85 -3.47 -3.71 -0.34 5.03 -1.26 -4.95 115.26 110.42 3cem n ASN 284 Ca -0.18 -0.88 -0.13 0.00 0.87 0.00 0.00 54.58 54.26 3cem n ASN 284 Cb 0.52 -3.45 -0.09 0.00 -1.02 0.00 0.00 39.78 35.74 3cem n ASN 284 CO 0.00 0.00 0.00 0.12 -1.83 0.00 0.00 177.26 175.55 3cem s PHE 285 N -3.41 -0.53 -0.29 3.10 5.36 -1.26 -4.10 117.98 116.85 3cem s PHE 285 Ca 0.55 1.27 -0.08 0.00 -0.96 0.00 0.00 56.93 57.71 3cem s PHE 285 Cb -0.28 0.18 -0.01 0.00 -0.34 0.00 0.00 43.02 42.57 3cem s PHE 285 CO 0.87 -0.27 0.12 0.12 -1.46 0.00 0.00 175.22 174.60 3cem s PHE 286 N 0.19 3.15 -0.31 10.12 5.36 0.71 -4.86 117.98 132.35 3cem s PHE 286 Ca -0.01 -0.61 -0.07 0.00 -0.96 0.00 0.00 56.93 55.29 3cem s PHE 286 Cb -0.03 -2.30 0.02 0.00 -0.34 0.00 0.00 43.02 40.36 3cem s PHE 286 CO 0.01 -0.45 0.09 -2.00 -1.46 0.00 0.00 175.22 171.41 3cem s GLU 287 N 1.59 2.96 -1.48 10.12 2.12 -1.26 -4.98 118.70 127.77 3cem s GLU 287 Ca 0.05 -0.94 -0.10 0.00 0.36 0.00 0.00 54.97 54.34 3cem s GLU 287 Cb -0.17 -3.40 0.02 0.00 0.26 0.00 0.00 34.13 30.84 3cem s GLU 287 CO 0.05 -0.51 2.55 0.41 -0.54 0.00 0.00 175.26 177.22 3cem n GLY 288 N 4.86 4.58 3.87 -1.50 0.00 -1.26 -4.95 105.19 110.79 3cem n GLY 288 Ca -0.14 -1.72 -0.33 0.00 0.00 0.00 0.00 46.02 43.83 3cem n GLY 288 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3cem s LYS 289 N 1.37 3.77 0.17 1.61 -0.14 -1.26 -5.02 119.74 120.24 3cem s LYS 289 Ca 0.58 0.19 -0.14 0.00 -1.36 0.00 0.00 55.97 55.23 3cem s LYS 289 Cb 0.16 -2.84 0.06 0.00 -1.68 0.00 0.00 37.83 33.53 3cem s LYS 289 CO -0.07 0.45 1.83 1.49 -0.76 0.00 0.00 175.35 178.29 3cem h GLU 290 N 3.09 0.68 -0.81 1.68 4.81 -1.99 -2.43 114.58 119.61 3cem h GLU 290 Ca -0.47 -0.05 0.08 0.00 -0.13 0.00 0.00 59.36 58.78 3cem h GLU 290 Cb 1.18 -0.15 -0.07 0.00 0.63 0.00 0.00 28.75 30.34 3cem h GLU 290 CO 0.69 0.46 0.48 1.25 -0.73 0.00 0.00 179.01 181.16 3cem h LEU 291 N 0.69 0.72 -1.13 1.64 5.85 -1.99 0.20 115.31 121.30 3cem h LEU 291 Ca 0.19 0.03 -0.03 0.00 0.84 0.00 0.00 57.88 58.91 3cem h LEU 291 Cb -0.06 -0.11 -0.03 0.00 0.37 0.00 0.00 40.66 40.83 3cem h LEU 291 CO -0.04 0.44 0.23 -0.09 -0.34 0.00 0.00 178.44 178.64 3cem h ARG 292 N 0.84 0.85 -0.18 1.25 9.65 -1.86 -0.46 114.38 124.48 3cem h ARG 292 Ca 0.37 -0.13 -0.17 0.00 -1.10 0.00 0.00 59.98 58.95 3cem h ARG 292 Cb 0.26 -0.15 -0.00 0.00 -1.39 0.00 0.00 29.97 28.69 3cem h ARG 292 CO -0.21 0.70 -0.60 1.25 2.80 0.00 0.00 179.97 183.91 3cem h LEU 293 N 0.84 0.67 -0.90 3.80 5.85 -0.61 -1.52 115.31 123.45 3cem h LEU 293 Ca 0.20 -0.38 0.04 0.00 0.84 0.00 0.00 57.88 58.58 3cem h LEU 293 Cb 0.16 -0.19 -0.06 0.00 0.37 0.00 0.00 40.66 40.94 3cem h LEU 293 CO -0.02 1.12 0.58 0.11 -0.34 0.00 0.00 178.44 179.88 3cem h LYS 294 N 0.45 1.07 -0.94 1.25 1.57 -0.20 -1.39 116.57 118.37 3cem h LYS 294 Ca -0.00 -0.06 0.04 0.00 -1.87 0.00 0.00 60.65 58.75 3cem h LYS 294 Cb 1.16 -0.24 -0.05 0.00 0.08 0.00 0.00 32.23 33.18 3cem h LYS 294 CO 0.11 0.71 0.62 1.96 -0.57 0.00 0.00 179.45 182.28 3cem h GLN 295 N 1.10 1.15 -0.23 3.15 4.20 -0.43 -0.32 115.11 123.72 3cem h GLN 295 Ca 0.37 -0.07 -0.18 0.00 0.06 0.00 0.00 58.65 58.83 3cem h GLN 295 Cb 0.05 -0.26 -0.00 0.00 0.30 0.00 0.00 27.48 27.57 3cem h GLN 295 CO -0.13 0.76 -0.57 0.93 -0.67 0.00 0.00 178.83 179.14 3cem h GLU 296 N 1.18 0.74 -0.07 1.46 5.08 -0.50 -2.19 114.58 120.28 3cem h GLU 296 Ca 0.38 -0.49 -0.03 0.00 -1.00 0.00 0.00 59.36 58.22 3cem h GLU 296 Cb 0.02 0.06 -0.00 0.00 0.50 0.00 0.00 28.75 29.33 3cem h GLU 296 CO -0.12 1.11 -0.05 -0.92 -1.00 0.00 0.00 179.01 178.03 3cem h TYR 297 N 0.56 0.20 -0.75 4.33 3.20 -0.86 -2.92 116.97 120.72 3cem h TYR 297 Ca 0.01 -0.05 0.12 0.00 3.14 0.00 0.00 58.73 61.94 3cem h TYR 297 Cb 1.16 -0.04 -0.13 0.00 1.54 0.00 0.00 36.73 39.26 3cem h TYR 297 CO 0.06 0.58 -0.38 0.35 -1.64 0.00 0.00 178.16 177.13 3cem h PHE 298 N -0.24 -1.08 -0.10 -3.82 3.57 -1.00 0.53 116.94 114.80 3cem h PHE 298 Ca 0.01 0.09 -0.16 0.00 3.53 0.00 0.00 57.97 61.45 3cem h PHE 298 Cb 0.53 0.58 -0.01 0.00 2.79 0.00 0.00 35.95 39.85 3cem h PHE 298 CO 0.08 -0.40 -0.61 -0.24 -2.23 0.00 0.00 178.31 174.92 3cem h VAL 299 N -0.11 1.37 -0.18 1.41 3.04 -1.43 -2.22 116.25 118.12 3cem h VAL 299 Ca 0.26 -1.95 -0.11 0.00 -1.01 0.00 0.00 66.70 63.90 3cem h VAL 299 Cb 0.56 1.95 -0.00 0.00 -2.01 0.00 0.00 31.29 31.80 3cem h VAL 299 CO -0.80 0.59 -0.31 0.58 -1.01 0.00 0.00 177.57 176.62 3cem h VAL 300 N 0.26 1.34 -0.11 1.51 2.07 -1.17 -2.06 116.25 118.09 3cem h VAL 300 Ca -0.01 -1.53 -0.03 0.00 0.82 0.00 0.00 66.70 65.95 3cem h VAL 300 Cb 1.13 1.90 -0.00 0.00 -1.52 0.00 0.00 31.29 32.79 3cem h VAL 300 CO 0.10 0.47 -0.06 0.00 0.02 0.00 0.00 177.57 178.10 3cem h ALA 301 N 0.59 0.15 -0.06 1.67 0.00 0.08 -0.76 119.26 120.95 3cem h ALA 301 Ca 0.01 -0.26 0.02 0.00 0.00 0.00 0.00 54.91 54.68 3cem h ALA 301 Cb 0.89 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.63 3cem h ALA 301 CO 0.07 -0.06 -0.05 0.00 0.00 0.00 0.00 179.25 179.21 3cem h ALA 302 N 0.64 -0.00 -0.21 0.00 0.00 -1.51 -2.56 119.26 115.61 3cem h ALA 302 Ca 0.02 0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.95 3cem h ALA 302 Cb 0.52 0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.41 3cem h ALA 302 CO 0.02 -0.53 0.11 1.15 0.00 0.00 0.00 179.25 180.00 3cem h THR 303 N -0.06 1.12 -0.56 0.00 2.02 -1.33 -1.32 112.91 112.78 3cem h THR 303 Ca 0.04 -0.32 -0.02 0.00 0.77 0.00 0.00 66.41 66.88 3cem h THR 303 Cb 0.12 0.95 -0.03 0.00 -1.74 0.00 0.00 68.15 67.45 3cem h THR 303 CO -0.09 0.11 0.26 -0.07 0.37 0.00 0.00 175.52 176.10 3cem h LEU 304 N 0.23 0.73 -0.44 2.58 3.38 -1.11 -1.60 115.31 119.07 3cem h LEU 304 Ca 0.07 -0.13 0.07 0.00 0.09 0.00 0.00 57.88 57.98 3cem h LEU 304 Cb 0.08 -0.19 -0.06 0.00 0.09 0.00 0.00 40.66 40.58 3cem h LEU 304 CO -0.01 0.66 0.08 1.56 0.09 0.00 0.00 178.44 180.82 3cem h GLN 305 N 0.75 0.21 -0.56 1.13 4.20 -1.36 -0.88 115.11 118.59 3cem h GLN 305 Ca 0.19 -0.01 0.02 0.00 0.06 0.00 0.00 58.65 58.90 3cem h GLN 305 Cb 0.12 -0.05 -0.03 0.00 0.30 0.00 0.00 27.48 27.83 3cem h GLN 305 CO -0.02 0.14 0.36 0.22 -0.67 0.00 0.00 178.83 178.85 3cem h ASP 306 N 0.22 0.60 -0.61 1.46 3.58 -0.84 -0.13 116.42 120.69 3cem h ASP 306 Ca 0.22 -0.01 -0.04 0.00 0.42 0.00 0.00 57.03 57.63 3cem h ASP 306 Cb 0.28 -0.14 -0.03 0.00 1.72 0.00 0.00 39.33 41.16 3cem h ASP 306 CO -0.29 0.43 0.26 0.40 -2.88 0.00 0.00 179.24 177.16 3cem h ILE 307 N 0.72 1.22 0.01 2.25 2.04 -1.12 0.72 117.51 123.36 3cem h ILE 307 Ca 0.22 -0.70 -0.24 0.00 1.00 0.00 0.00 64.86 65.14 3cem h ILE 307 Cb -0.03 0.46 0.01 0.00 -0.74 0.00 0.00 36.82 36.51 3cem h ILE 307 CO -0.07 0.28 -0.97 0.40 0.00 0.00 0.00 178.15 177.79 3cem h ILE 308 N 0.92 1.38 -0.49 -0.67 2.04 -0.77 -1.25 117.51 118.68 3cem h ILE 308 Ca 0.22 -2.43 -0.00 0.00 1.00 0.00 0.00 64.86 63.65 3cem h ILE 308 Cb 0.18 2.43 -0.02 0.00 -0.74 0.00 0.00 36.82 38.66 3cem h ILE 308 CO -0.02 0.73 0.30 -0.09 0.00 0.00 0.00 178.15 179.07 3cem h ARG 309 N 0.26 0.66 -0.68 2.37 2.43 -0.61 -1.05 114.38 117.76 3cem h ARG 309 Ca -0.09 -0.06 -0.07 0.00 -0.81 0.00 0.00 59.98 58.95 3cem h ARG 309 Cb 1.61 -0.14 -0.03 0.00 -0.42 0.00 0.00 29.97 30.99 3cem h ARG 309 CO 0.17 0.48 0.15 -0.09 -1.51 0.00 0.00 179.97 179.17 3cem h ARG 310 N 0.66 1.10 0.08 0.20 2.43 -0.76 -1.78 114.38 116.32 3cem h ARG 310 Ca 0.18 -0.27 -0.00 0.00 -0.81 0.00 0.00 59.98 59.07 3cem h ARG 310 Cb -0.02 -0.14 0.00 0.00 -0.42 0.00 0.00 29.97 29.39 3cem h ARG 310 CO -0.03 0.98 -0.04 0.35 -1.51 0.00 0.00 179.97 179.72 3cem h PHE 311 N 1.02 -0.10 -0.93 2.20 3.57 -0.90 -2.58 116.94 119.23 3cem h PHE 311 Ca 0.21 -0.00 0.04 0.00 3.53 0.00 0.00 57.97 61.75 3cem h PHE 311 Cb 0.39 0.03 -0.05 0.00 2.79 0.00 0.00 35.95 39.11 3cem h PHE 311 CO 0.03 -0.06 0.61 0.87 -2.23 0.00 0.00 178.31 177.52 3cem h LYS 312 N -0.11 1.12 0.00 1.11 1.57 -1.15 -1.75 116.57 117.36 3cem h LYS 312 Ca -0.01 -0.07 0.00 0.00 -1.87 0.00 0.00 60.65 58.70 3cem h LYS 312 Cb 0.09 -0.25 0.00 0.00 0.08 0.00 0.00 32.23 32.14 3cem h LYS 312 CO 0.02 0.74 0.00 0.00 -0.57 0.00 0.00 179.45 179.64 3cem n ALA 313 N -2.39 2.43 -1.31 3.86 0.00 -0.67 -4.88 120.51 117.55 3cem n ALA 313 Ca 0.13 -0.15 0.00 0.00 0.00 0.00 0.00 53.44 53.41 3cem n ALA 313 Cb 0.12 -1.42 0.00 0.00 0.00 0.00 0.00 19.45 18.15 3cem n ALA 313 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 3cem n SER 314 N -1.05 0.00 -0.64 0.00 3.41 -0.66 -4.95 113.62 109.73 3cem n SER 314 Ca 0.18 -0.41 0.12 0.00 -0.26 0.00 0.00 58.87 58.50 3cem n SER 314 Cb 0.11 0.00 0.38 0.00 -0.26 0.00 0.00 64.21 64.44 3cem n SER 314 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 3cem n LYS 315 N -0.41 1.86 -4.15 4.33 5.02 -1.26 -5.09 118.16 118.47 3cem n LYS 315 Ca 0.00 -1.28 -0.28 0.00 -2.02 0.00 0.00 58.31 54.74 3cem n LYS 315 Cb 0.00 -1.45 -0.03 0.00 -0.02 0.00 0.00 35.03 33.53 3cem n LYS 315 CO 0.00 0.00 0.00 -0.06 -0.52 0.00 0.00 177.40 176.82 3cem s PHE 316 N -1.87 1.85 0.00 2.13 0.40 -1.26 -5.19 117.98 114.04 3cem s PHE 316 Ca 0.35 -0.83 0.00 0.00 -0.60 0.00 0.00 56.93 55.85 3cem s PHE 316 Cb 0.20 -1.85 0.00 0.00 0.51 0.00 0.00 43.02 41.88 3cem s PHE 316 CO 0.30 -0.19 0.00 0.25 0.70 0.00 0.00 175.22 176.29 3cem n THR 324 N -1.55 0.00 0.19 0.64 -2.24 -1.26 -4.83 114.28 105.23 3cem n THR 324 Ca -0.06 0.00 0.16 0.00 -2.27 0.00 0.00 64.05 61.88 3cem n THR 324 Cb 0.65 0.00 0.77 0.00 -2.10 0.00 0.00 70.33 69.65 3cem n THR 324 CO 0.00 0.00 0.00 0.58 -0.57 0.00 0.00 175.07 175.08 3cem h VAL 325 N 0.00 0.63 -0.01 2.28 2.07 -2.06 -3.18 116.25 115.98 3cem h VAL 325 Ca 0.00 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.52 3cem h VAL 325 Cb 0.00 0.87 0.00 0.00 -1.52 0.00 0.00 31.29 30.64 3cem h VAL 325 CO 0.00 0.00 -0.18 0.49 0.02 0.00 0.00 177.57 177.90 3cem n PHE 326 N -4.07 0.00 -0.34 1.57 3.01 -1.26 -4.37 117.46 112.00 3cem n PHE 326 Ca 0.02 0.00 0.12 0.00 1.01 0.00 0.00 57.45 58.59 3cem n PHE 326 Cb 0.31 -0.04 0.32 0.00 -0.01 0.00 0.00 39.48 40.05 3cem n PHE 326 CO 0.00 0.00 0.00 -0.44 1.01 0.00 0.00 176.76 177.33 3cem h ASP 327 N 2.31 0.79 0.07 4.37 5.19 -2.01 0.05 116.42 127.19 3cem h ASP 327 Ca 0.00 0.07 0.00 0.00 -0.62 0.00 0.00 57.03 56.48 3cem h ASP 327 Cb 0.63 -0.08 0.00 0.00 0.18 0.00 0.00 39.33 40.06 3cem h ASP 327 CO 0.00 0.34 -0.04 0.00 -3.12 0.00 0.00 179.24 176.42 3cem n ALA 328 N -2.36 2.68 -0.18 3.45 0.00 -1.26 -4.37 120.51 118.46 3cem n ALA 328 Ca 0.21 -0.35 -0.10 0.00 0.00 0.00 0.00 53.44 53.20 3cem n ALA 328 Cb 0.50 -1.27 -0.05 0.00 0.00 0.00 0.00 19.45 18.62 3cem n ALA 328 CO 0.00 0.00 0.00 0.35 0.00 0.00 0.00 177.50 177.85 3cem h PHE 329 N 1.39 -1.39 0.00 0.00 3.57 -1.26 -0.72 116.94 118.52 3cem h PHE 329 Ca 0.00 0.08 0.00 0.00 3.53 0.00 0.00 57.97 61.58 3cem h PHE 329 Cb 0.36 0.68 0.00 0.00 2.79 0.00 0.00 35.95 39.78 3cem h PHE 329 CO 0.00 -0.44 0.00 -0.35 -2.23 0.00 0.00 178.31 175.29 3cem n PRO 330 N -5.40 0.46 0.00 6.41 -0.04 -1.26 -0.99 135.00 134.18 3cem n PRO 330 Ca 0.00 0.04 0.11 0.00 -0.04 0.00 0.00 63.50 63.61 3cem n PRO 330 Cb 0.35 -1.50 -0.02 0.00 -0.04 0.00 0.00 33.50 32.29 3cem n PRO 330 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 3cem n ASP 331 N -1.10 0.89 -0.00 3.54 8.00 -0.31 -4.08 116.55 123.48 3cem n ASP 331 Ca 0.12 -0.81 0.05 0.00 0.71 0.00 0.00 54.79 54.86 3cem n ASP 331 Cb 0.09 0.79 -0.08 0.00 -0.02 0.00 0.00 41.12 41.90 3cem n ASP 331 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3cem n GLN 332 N -1.46 0.77 -4.08 -1.24 1.13 -0.57 -4.44 117.38 107.48 3cem n GLN 332 Ca 0.05 -0.09 -0.19 0.00 -1.94 0.00 0.00 57.00 54.83 3cem n GLN 332 Cb 0.33 -1.22 -0.16 0.00 0.11 0.00 0.00 30.24 29.30 3cem n GLN 332 CO 0.00 0.00 0.00 0.08 -1.44 0.00 0.00 177.06 175.70 3cem s VAL 333 N -2.65 0.40 -0.07 5.09 1.01 -0.16 -0.19 120.40 123.83 3cem s VAL 333 Ca -0.03 -0.04 0.02 0.00 0.00 0.00 0.00 61.98 61.93 3cem s VAL 333 Cb 0.07 -0.45 0.01 0.00 0.00 0.00 0.00 36.38 36.02 3cem s VAL 333 CO 0.45 0.19 -0.13 0.00 0.00 0.00 0.00 175.10 175.61 3cem s ALA 334 N 0.94 1.32 -0.18 5.51 0.00 -0.37 -4.51 121.76 124.48 3cem s ALA 334 Ca -0.11 -0.45 0.01 0.00 0.00 0.00 0.00 51.96 51.41 3cem s ALA 334 Cb -0.14 -0.58 0.02 0.00 0.00 0.00 0.00 23.12 22.42 3cem s ALA 334 CO -0.00 0.13 -0.18 0.42 0.00 0.00 0.00 175.76 176.12 3cem s ILE 335 N 0.64 1.95 -0.18 0.00 1.01 -0.39 -0.24 121.20 124.00 3cem s ILE 335 Ca -0.15 -0.89 -0.16 0.00 0.00 0.00 0.00 60.65 59.45 3cem s ILE 335 Cb -0.16 -1.78 -0.04 0.00 0.01 0.00 0.00 42.46 40.49 3cem s ILE 335 CO 0.04 0.50 0.39 -1.58 0.00 0.00 0.00 174.94 174.29 3cem s GLN 336 N 1.33 4.21 -0.55 2.79 2.00 -0.47 -1.94 119.66 127.03 3cem s GLN 336 Ca 0.05 0.21 -0.20 0.00 -2.00 0.00 0.00 55.36 53.41 3cem s GLN 336 Cb -0.13 -3.50 0.07 0.00 0.80 0.00 0.00 33.01 30.24 3cem s GLN 336 CO -0.12 0.04 0.73 -0.51 -0.50 0.00 0.00 175.29 174.93 3cem s LEU 337 N 1.07 4.86 -0.98 3.68 1.02 0.71 -1.94 118.68 127.10 3cem s LEU 337 Ca 0.19 -0.96 -0.24 0.00 0.02 0.00 0.00 54.13 53.15 3cem s LEU 337 Cb -0.14 -2.47 0.00 0.00 0.02 0.00 0.00 46.19 43.60 3cem s LEU 337 CO 0.07 -1.06 1.70 0.21 0.02 0.00 0.00 176.35 177.29 3cem s ASN 338 N 3.05 5.85 0.54 2.29 2.47 -0.88 -1.45 114.94 126.81 3cem s ASN 338 Ca 0.17 -1.13 0.00 0.00 0.42 0.00 0.00 52.86 52.32 3cem s ASN 338 Cb -0.19 -2.57 0.00 0.00 -1.45 0.00 0.00 41.25 37.04 3cem s ASN 338 CO 0.11 -2.11 0.00 -0.67 -3.72 0.00 0.00 177.10 170.71 3cem n ASP 339 N 11.36 -2.43 -0.18 -4.21 -0.08 -0.75 -4.24 116.55 116.01 3cem n ASP 339 Ca 0.37 0.00 0.14 0.00 -1.51 0.00 0.00 54.79 53.79 3cem n ASP 339 Cb 0.49 0.00 0.56 0.00 2.34 0.00 0.00 41.12 44.51 3cem n ASP 339 CO 0.00 0.00 0.00 0.35 0.12 0.00 0.00 177.20 177.67 3cem n THR 340 N -0.54 0.00 -0.30 5.18 -2.24 -1.26 -4.31 114.28 110.81 3cem n THR 340 Ca 0.00 -0.10 0.02 0.00 -2.27 0.00 0.00 64.05 61.70 3cem n THR 340 Cb 0.00 0.07 0.16 0.00 -2.10 0.00 0.00 70.33 68.46 3cem n THR 340 CO 0.00 0.00 0.00 0.45 -0.57 0.00 0.00 175.07 174.95 3cem h HIS 341 N 0.90 0.92 -0.37 4.78 3.86 -1.96 -0.30 115.15 122.97 3cem h HIS 341 Ca 0.00 0.03 -0.00 0.00 -1.16 0.00 0.00 60.37 59.24 3cem h HIS 341 Cb 0.39 -0.29 -0.00 0.00 1.06 0.00 0.00 27.41 28.57 3cem h HIS 341 CO 0.00 0.42 0.01 -0.35 0.86 0.00 0.00 177.93 178.86 3cem n PRO 342 N -4.68 3.49 -0.21 2.45 -0.04 -1.26 -4.59 135.00 130.15 3cem n PRO 342 Ca 0.13 -2.02 0.22 0.00 -0.04 0.00 0.00 63.50 61.79 3cem n PRO 342 Cb 0.23 -1.99 0.58 0.00 -0.04 0.00 0.00 33.50 32.28 3cem n PRO 342 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3cem h ALA 343 N 3.27 2.39 0.00 0.55 0.00 -1.30 0.25 119.26 124.41 3cem h ALA 343 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.92 3cem h ALA 343 Cb 1.46 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.25 3cem h ALA 343 CO 0.32 -0.66 0.26 -0.07 0.00 0.00 0.00 179.25 179.10 3cem h LEU 344 N 0.27 0.00 -1.16 0.00 3.38 -1.82 -1.62 115.31 114.36 3cem h LEU 344 Ca 0.45 0.00 0.15 0.00 0.09 0.00 0.00 57.88 58.57 3cem h LEU 344 Cb 1.31 0.00 -0.08 0.00 0.09 0.00 0.00 40.66 41.97 3cem h LEU 344 CO -0.12 0.00 0.60 0.00 0.09 0.00 0.00 178.44 179.01 3cem h ALA 345 N 1.48 1.73 0.50 1.53 0.00 -0.85 -0.52 119.26 123.13 3cem h ALA 345 Ca 0.00 0.03 -0.02 0.00 0.00 0.00 0.00 54.91 54.92 3cem h ALA 345 Cb 0.52 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 18.17 3cem h ALA 345 CO 0.00 -0.01 -0.31 0.82 0.00 0.00 0.00 179.25 179.75 3cem h ILE 346 N 0.78 0.00 0.00 0.00 2.04 -1.51 0.42 117.51 119.25 3cem h ILE 346 Ca 0.49 0.00 0.00 0.00 1.00 0.00 0.00 64.86 66.35 3cem h ILE 346 Cb 0.72 0.00 0.00 0.00 -0.74 0.00 0.00 36.82 36.80 3cem h ILE 346 CO -0.26 0.00 0.00 1.55 0.00 0.00 0.00 178.15 179.44 3cem h PRO 347 N -0.76 0.00 -0.07 2.37 0.13 -1.71 -2.59 132.00 129.37 3cem h PRO 347 Ca -0.07 0.00 -0.19 0.00 -0.87 0.00 0.00 66.00 64.87 3cem h PRO 347 Cb 0.61 0.00 0.01 0.00 0.13 0.00 0.00 31.00 31.75 3cem h PRO 347 CO 0.07 0.00 -0.70 1.49 -0.23 0.00 0.00 178.00 178.62 3cem h GLU 348 N 0.00 0.60 -0.76 0.86 4.57 -0.54 0.40 114.58 119.71 3cem h GLU 348 Ca 0.00 -0.55 0.03 0.00 -1.18 0.00 0.00 59.36 57.65 3cem h GLU 348 Cb 0.22 0.13 -0.05 0.00 -0.16 0.00 0.00 28.75 28.90 3cem h GLU 348 CO 0.00 1.17 0.48 1.25 -1.18 0.00 0.00 179.01 180.73 3cem h LEU 349 N 0.23 0.80 -0.65 1.64 5.85 0.07 -0.16 115.31 123.09 3cem h LEU 349 Ca -0.07 -0.01 -0.04 0.00 0.84 0.00 0.00 57.88 58.61 3cem h LEU 349 Cb 1.36 -0.18 -0.03 0.00 0.37 0.00 0.00 40.66 42.18 3cem h LEU 349 CO 0.14 0.56 0.25 0.24 -0.34 0.00 0.00 178.44 179.29 3cem h MET 350 N 0.95 0.98 -0.19 1.25 2.86 -1.35 -0.04 114.93 119.39 3cem h MET 350 Ca 0.30 -0.19 0.04 0.00 -2.06 0.00 0.00 59.70 57.80 3cem h MET 350 Cb -0.00 -0.16 -0.04 0.00 0.06 0.00 0.00 31.60 31.46 3cem h MET 350 CO -0.10 0.83 -0.08 -0.09 1.06 0.00 0.00 176.91 178.53 3cem h ARG 351 N 0.92 -0.06 0.00 1.72 2.43 -0.40 0.37 114.38 119.37 3cem h ARG 351 Ca 0.22 0.00 -0.00 0.00 -0.81 0.00 0.00 59.98 59.39 3cem h ARG 351 Cb 0.23 0.01 0.00 0.00 -0.42 0.00 0.00 29.97 29.79 3cem h ARG 351 CO -0.02 -0.04 -0.00 0.82 -1.51 0.00 0.00 179.97 179.23 3cem h ILE 352 N -0.06 1.08 -0.57 1.20 2.04 -0.66 0.25 117.51 120.79 3cem h ILE 352 Ca 0.10 -0.25 0.02 0.00 1.00 0.00 0.00 64.86 65.73 3cem h ILE 352 Cb 0.21 1.25 -0.03 0.00 -0.74 0.00 0.00 36.82 37.50 3cem h ILE 352 CO -0.23 0.06 0.36 -0.26 0.00 0.00 0.00 178.15 178.09 3cem h PHE 353 N -0.11 0.67 0.00 1.37 0.05 -0.68 -0.10 116.94 118.14 3cem h PHE 353 Ca -0.00 0.02 -0.11 0.00 3.82 0.00 0.00 57.97 61.70 3cem h PHE 353 Cb 0.11 -0.22 -0.02 0.00 2.00 0.00 0.00 35.95 37.82 3cem h PHE 353 CO -0.04 0.39 -0.81 0.28 -0.18 0.00 0.00 178.31 177.95 3cem h VAL 354 N 0.71 0.51 -0.01 -0.55 2.07 -0.17 -0.73 116.25 118.08 3cem h VAL 354 Ca 0.22 -1.62 -0.15 0.00 0.82 0.00 0.00 66.70 65.98 3cem h VAL 354 Cb -0.01 1.20 -0.02 0.00 -1.52 0.00 0.00 31.29 30.94 3cem h VAL 354 CO -0.08 0.17 -0.67 0.44 0.02 0.00 0.00 177.57 177.45 3cem h ASP 355 N -1.00 0.08 0.00 0.57 3.45 -0.64 -2.42 116.42 116.46 3cem h ASP 355 Ca -0.17 -0.05 -0.31 0.00 0.43 0.00 0.00 57.03 56.93 3cem h ASP 355 Cb 0.88 -0.02 -0.05 0.00 -0.56 0.00 0.00 39.33 39.58 3cem h ASP 355 CO -0.10 0.72 -2.10 -0.38 -1.57 0.00 0.00 179.24 175.82 3cem n ILE 356 N -3.77 1.09 1.12 0.35 5.41 -0.98 -4.52 119.36 118.05 3cem n ILE 356 Ca -0.02 -0.34 0.12 0.00 1.00 0.00 0.00 62.75 63.52 3cem n ILE 356 Cb 0.66 -1.51 0.21 0.00 -0.71 0.00 0.00 39.64 38.28 3cem n ILE 356 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 176.55 175.93 3cem n GLU 357 N -3.53 0.71 -2.02 0.38 -0.58 -0.09 -4.95 120.64 110.56 3cem n GLU 357 Ca -0.37 -0.49 -0.15 0.00 -0.42 0.00 0.00 57.16 55.73 3cem n GLU 357 Cb 0.81 -1.49 -0.02 0.00 -0.57 0.00 0.00 31.44 30.17 3cem n GLU 357 CO 0.00 0.00 0.00 1.63 -0.48 0.00 0.00 177.13 178.28 3cem n LYS 358 N -0.71 -1.14 -2.27 3.49 4.76 -0.66 -4.91 118.16 116.72 3cem n LYS 358 Ca 0.10 0.82 -0.33 0.00 -2.87 0.00 0.00 58.31 56.03 3cem n LYS 358 Cb 0.37 -5.08 -0.02 0.00 -1.84 0.00 0.00 35.03 28.47 3cem n LYS 358 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 3cem s LEU 359 N -4.01 3.60 0.38 -0.35 1.43 -0.37 -4.97 118.68 114.38 3cem s LEU 359 Ca 0.00 1.71 -0.27 0.00 -1.03 0.00 0.00 54.13 54.54 3cem s LEU 359 Cb 0.00 -4.52 -0.09 0.00 0.03 0.00 0.00 46.19 41.61 3cem s LEU 359 CO 0.00 -0.84 1.25 -2.16 0.23 0.00 0.00 176.35 174.83 3cem s PRO 360 N -3.98 4.12 0.15 1.29 0.04 -1.26 -4.48 135.00 130.88 3cem s PRO 360 Ca 0.62 2.05 -0.20 0.00 0.04 0.00 0.00 61.00 63.50 3cem s PRO 360 Cb -0.13 -2.83 0.05 0.00 0.04 0.00 0.00 34.50 31.63 3cem s PRO 360 CO 0.32 -0.33 1.25 1.87 0.04 0.00 0.00 177.00 180.16 3cem n TRP 361 N 0.33 -0.19 -0.18 0.56 -0.00 -1.26 -1.42 117.44 115.28 3cem n TRP 361 Ca 0.03 1.01 -0.01 0.00 -0.00 0.00 0.00 57.50 58.52 3cem n TRP 361 Cb 0.44 -0.67 0.09 0.00 -0.00 0.00 0.00 31.31 31.17 3cem n TRP 361 CO 0.00 0.00 0.00 0.66 -0.00 0.00 0.00 177.69 178.35 3cem h SER 362 N 0.00 0.16 -0.12 5.87 4.64 -2.00 -0.19 113.55 121.91 3cem h SER 362 Ca 0.20 0.08 -0.01 0.00 -0.47 0.00 0.00 61.79 61.58 3cem h SER 362 Cb 0.40 0.07 -0.00 0.00 -0.31 0.00 0.00 62.40 62.55 3cem h SER 362 CO -0.78 0.11 0.02 0.50 -0.87 0.00 0.00 176.83 175.81 3cem h LYS 363 N 0.35 0.19 -0.38 4.77 1.63 -1.76 -2.73 116.57 118.64 3cem h LYS 363 Ca 0.28 -0.05 0.05 0.00 -0.85 0.00 0.00 60.65 60.08 3cem h LYS 363 Cb 0.34 -0.02 -0.05 0.00 -0.60 0.00 0.00 32.23 31.90 3cem h LYS 363 CO -0.30 0.38 0.11 0.00 -3.45 0.00 0.00 179.45 176.18 3cem h ALA 364 N 0.81 0.43 -0.93 5.00 0.00 -0.97 -2.21 119.26 121.38 3cem h ALA 364 Ca 0.04 0.06 0.06 0.00 0.00 0.00 0.00 54.91 55.07 3cem h ALA 364 Cb 0.27 0.06 -0.06 0.00 0.00 0.00 0.00 17.79 18.06 3cem h ALA 364 CO 0.00 -0.29 0.59 2.35 0.00 0.00 0.00 179.25 181.90 3cem h TRP 365 N 0.25 1.10 -0.58 0.00 -0.00 -0.96 0.01 115.95 115.76 3cem h TRP 365 Ca 0.18 0.03 -0.09 0.00 -0.00 0.00 0.00 58.89 59.01 3cem h TRP 365 Cb 0.19 -0.36 -0.02 0.00 -0.00 0.00 0.00 29.16 28.97 3cem h TRP 365 CO -0.17 0.57 0.02 1.49 -0.00 0.00 0.00 178.44 180.35 3cem h GLU 366 N 1.08 1.01 -0.31 2.65 4.81 -1.25 -1.68 114.58 120.89 3cem h GLU 366 Ca 0.40 -0.31 -0.14 0.00 -0.13 0.00 0.00 59.36 59.19 3cem h GLU 366 Cb 0.16 -0.10 -0.00 0.00 0.63 0.00 0.00 28.75 29.44 3cem h GLU 366 CO -0.17 0.99 -0.34 -0.07 -0.73 0.00 0.00 179.01 178.69 3cem h LEU 367 N 0.90 0.84 0.08 1.64 3.38 -0.93 -1.77 115.31 119.44 3cem h LEU 367 Ca 0.17 -0.48 0.02 0.00 0.09 0.00 0.00 57.88 57.68 3cem h LEU 367 Cb 0.52 -0.24 -0.04 0.00 0.09 0.00 0.00 40.66 40.99 3cem h LEU 367 CO 0.03 1.15 -0.33 0.74 0.09 0.00 0.00 178.44 180.11 3cem h THR 368 N 0.55 0.29 -0.81 0.22 2.02 -0.89 -1.44 112.91 112.84 3cem h THR 368 Ca 0.05 0.00 0.01 0.00 0.77 0.00 0.00 66.41 67.23 3cem h THR 368 Cb 0.92 0.29 -0.04 0.00 -1.74 0.00 0.00 68.15 67.58 3cem h THR 368 CO 0.08 0.00 0.54 1.56 0.37 0.00 0.00 175.52 178.07 3cem h GLN 369 N -0.53 1.07 0.00 6.66 4.20 -1.28 -0.31 115.11 124.92 3cem h GLN 369 Ca 0.04 -0.06 -0.04 0.00 0.06 0.00 0.00 58.65 58.64 3cem h GLN 369 Cb 0.58 -0.24 -0.01 0.00 0.30 0.00 0.00 27.48 28.12 3cem h GLN 369 CO -0.22 0.71 -0.20 0.87 -0.67 0.00 0.00 178.83 179.32 3cem h LYS 370 N 1.10 0.00 0.17 1.46 1.57 -0.74 -2.54 116.57 117.60 3cem h LYS 370 Ca 0.30 0.00 -0.23 0.00 -1.87 0.00 0.00 60.65 58.85 3cem h LYS 370 Cb -0.13 0.00 0.03 0.00 0.08 0.00 0.00 32.23 32.21 3cem h LYS 370 CO -0.06 0.20 -0.99 1.15 -0.57 0.00 0.00 179.45 179.17 3cem h THR 371 N 0.00 1.45 -2.92 -0.16 2.02 -0.02 -3.47 112.91 109.82 3cem h THR 371 Ca -0.00 -2.58 -0.62 0.00 0.77 0.00 0.00 66.41 63.98 3cem h THR 371 Cb 0.63 3.16 -0.05 0.00 -1.74 0.00 0.00 68.15 70.15 3cem h THR 371 CO 0.03 0.74 -0.39 -0.36 0.37 0.00 0.00 175.52 175.91 3cem s PHE 372 N -2.47 3.57 0.06 3.16 0.40 -0.93 -1.26 117.98 120.51 3cem s PHE 372 Ca -0.12 0.54 0.02 0.00 -0.60 0.00 0.00 56.93 56.77 3cem s PHE 372 Cb 0.02 -1.97 -0.03 0.00 0.51 0.00 0.00 43.02 41.55 3cem s PHE 372 CO 0.86 0.60 -0.07 0.00 0.70 0.00 0.00 175.22 177.31 3cem s ALA 373 N -1.34 0.67 -0.06 5.36 0.00 -0.82 -1.95 121.76 123.62 3cem s ALA 373 Ca 0.29 -0.97 0.02 0.00 0.00 0.00 0.00 51.96 51.30 3cem s ALA 373 Cb -0.13 0.10 0.01 0.00 0.00 0.00 0.00 23.12 23.11 3cem s ALA 373 CO 0.17 -0.12 -0.11 -0.47 0.00 0.00 0.00 175.76 175.23 3cem s TYR 374 N -2.27 1.38 -0.26 0.00 5.04 0.33 -0.21 117.35 121.36 3cem s TYR 374 Ca -0.02 -0.50 -0.05 0.00 -2.44 0.00 0.00 57.07 54.06 3cem s TYR 374 Cb -0.04 -1.02 0.01 0.00 0.35 0.00 0.00 41.96 41.25 3cem s TYR 374 CO -0.02 -0.26 0.02 0.99 -1.34 0.00 0.00 175.55 174.94 3cem s THR 375 N 0.67 3.61 0.02 4.34 2.01 -0.53 -1.28 115.64 124.49 3cem s THR 375 Ca -0.14 -0.69 -0.26 0.00 0.31 0.00 0.00 61.69 60.91 3cem s THR 375 Cb -0.16 -2.80 -0.05 0.00 0.01 0.00 0.00 72.50 69.51 3cem s THR 375 CO 0.03 0.20 0.82 0.21 -0.69 0.00 0.00 174.62 175.19 3cem s ASN 376 N 1.46 7.23 0.00 3.53 3.84 0.43 -1.81 114.94 129.62 3cem s ASN 376 Ca 0.03 1.48 0.00 0.00 0.21 0.00 0.00 52.86 54.58 3cem s ASN 376 Cb -0.16 -2.49 0.00 0.00 -0.55 0.00 0.00 41.25 38.05 3cem s ASN 376 CO -0.00 -0.07 0.67 1.41 -2.79 0.00 0.00 177.10 176.32 3cem n HIS 377 N 3.18 0.00 -0.14 0.43 8.25 -1.26 -4.28 115.22 121.40 3cem n HIS 377 Ca -0.00 -0.22 -0.29 0.00 -0.26 0.00 0.00 57.72 56.94 3cem n HIS 377 Cb 0.50 -0.02 -0.10 0.00 1.12 0.00 0.00 29.99 31.49 3cem n HIS 377 CO 0.00 0.00 0.00 0.25 0.64 0.00 0.00 176.34 177.23 3cem n THR 378 N -0.22 1.52 0.00 1.59 -2.24 -1.26 -4.74 114.28 108.92 3cem n THR 378 Ca 0.00 -0.39 0.00 0.00 -2.27 0.00 0.00 64.05 61.39 3cem n THR 378 Cb 0.28 -1.86 0.00 0.00 -2.10 0.00 0.00 70.33 66.65 3cem n THR 378 CO 0.00 0.00 0.00 0.52 -0.57 0.00 0.00 175.07 175.02 3cem n VAL 379 N -4.21 0.00 -3.36 2.28 0.31 -1.26 -4.91 118.33 107.19 3cem n VAL 379 Ca -0.54 0.00 -0.38 0.00 -0.01 0.00 0.00 64.34 63.41 3cem n VAL 379 Cb 0.89 0.00 -0.06 0.00 -0.91 0.00 0.00 33.84 33.76 3cem n VAL 379 CO 0.00 0.00 0.00 -0.22 -1.32 0.00 0.00 176.83 175.29 3cem s LEU 380 N 0.00 4.38 0.55 7.52 2.96 -1.26 -5.00 118.68 127.83 3cem s LEU 380 Ca 0.00 0.94 0.27 0.00 -0.22 0.00 0.00 54.13 55.12 3cem s LEU 380 Cb 0.00 -2.70 1.58 0.00 0.50 0.00 0.00 46.19 45.56 3cem s LEU 380 CO 0.00 0.14 2.15 -0.65 -1.32 0.00 0.00 176.35 176.67 3cem h PRO 381 N 5.75 0.00 0.00 0.98 0.11 -1.96 0.91 132.00 137.79 3cem h PRO 381 Ca -0.46 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.65 3cem h PRO 381 Cb 1.20 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.31 3cem h PRO 381 CO 0.69 0.07 -0.21 0.39 -0.21 0.00 0.00 178.00 178.73 3cem n GLU 382 N -3.79 0.02 0.02 1.05 4.71 -1.26 -3.49 120.64 117.90 3cem n GLU 382 Ca -0.02 0.01 0.12 0.00 -0.01 0.00 0.00 57.16 57.26 3cem n GLU 382 Cb 0.17 -1.52 0.23 0.00 -1.01 0.00 0.00 31.44 29.31 3cem n GLU 382 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 3cem n ALA 383 N -1.52 3.33 -2.52 0.62 0.00 0.31 -0.20 120.51 120.53 3cem n ALA 383 Ca 0.06 -0.32 -0.42 0.00 0.00 0.00 0.00 53.44 52.77 3cem n ALA 383 Cb 0.34 -1.14 -0.03 0.00 0.00 0.00 0.00 19.45 18.63 3cem n ALA 383 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 3cem s LEU 384 N -3.36 4.37 -0.16 0.00 1.02 -1.22 -4.42 118.68 114.91 3cem s LEU 384 Ca 0.09 1.89 -0.29 0.00 0.02 0.00 0.00 54.13 55.85 3cem s LEU 384 Cb 0.16 -3.58 -0.01 0.00 0.02 0.00 0.00 46.19 42.79 3cem s LEU 384 CO 0.70 -0.40 1.12 -1.61 0.02 0.00 0.00 176.35 176.18 3cem s GLU 385 N 1.07 4.30 -0.35 1.70 2.02 -1.26 -4.79 118.70 121.39 3cem s GLU 385 Ca 0.56 1.50 -0.00 0.00 0.02 0.00 0.00 54.97 57.05 3cem s GLU 385 Cb -0.27 -3.64 0.13 0.00 0.10 0.00 0.00 34.13 30.46 3cem s GLU 385 CO 0.29 -0.55 0.20 1.03 0.02 0.00 0.00 175.26 176.24 3cem s ARG 386 N 2.87 0.60 0.07 1.61 0.52 -1.26 -2.43 118.95 120.94 3cem s ARG 386 Ca 0.50 -1.30 -0.30 0.00 -0.52 0.00 0.00 55.73 54.11 3cem s ARG 386 Cb -0.19 -1.45 -0.05 0.00 0.52 0.00 0.00 34.95 33.78 3cem s ARG 386 CO 0.13 -1.17 1.00 -1.58 0.02 0.00 0.00 175.30 173.71 3cem s TRP 387 N 1.14 3.71 -0.13 -0.53 0.52 -1.00 -4.73 118.94 117.92 3cem s TRP 387 Ca 0.16 1.71 -0.32 0.00 0.02 0.00 0.00 56.10 57.67 3cem s TRP 387 Cb -0.22 -3.13 -0.09 0.00 -1.15 0.00 0.00 33.47 28.88 3cem s TRP 387 CO -0.05 -0.06 2.03 -2.30 0.02 0.00 0.00 176.95 176.59 3cem n PRO 388 N 3.23 2.13 -0.28 4.98 -0.02 -1.26 -0.31 135.00 143.46 3cem n PRO 388 Ca 0.04 0.72 0.18 0.00 -2.02 0.00 0.00 63.50 62.43 3cem n PRO 388 Cb 0.49 -2.85 0.35 0.00 -0.02 0.00 0.00 33.50 31.47 3cem n PRO 388 CO 0.00 0.00 0.00 0.28 1.98 0.00 0.00 175.50 177.76 3cem n VAL 389 N 6.17 -0.35 -0.20 -1.45 0.31 -0.88 -0.85 118.33 121.07 3cem n VAL 389 Ca 0.26 1.78 -0.06 0.00 -0.01 0.00 0.00 64.34 66.31 3cem n VAL 389 Cb 0.35 -2.72 0.09 0.00 -0.91 0.00 0.00 33.84 30.65 3cem n VAL 389 CO 0.00 0.00 0.00 0.44 -1.32 0.00 0.00 176.83 175.95 3cem h ASP 390 N 0.00 0.98 -0.18 4.52 3.32 -1.89 -1.29 116.42 121.88 3cem h ASP 390 Ca 0.59 -0.22 -0.00 0.00 0.02 0.00 0.00 57.03 57.42 3cem h ASP 390 Cb 1.40 -0.26 -0.01 0.00 0.22 0.00 0.00 39.33 40.68 3cem h ASP 390 CO -0.73 0.97 0.11 0.25 -1.72 0.00 0.00 179.24 178.12 3cem h LEU 391 N 0.97 0.22 -1.12 1.55 5.85 -1.38 -2.38 115.31 119.01 3cem h LEU 391 Ca 0.20 -0.05 -0.02 0.00 0.84 0.00 0.00 57.88 58.84 3cem h LEU 391 Cb 0.41 -0.06 -0.03 0.00 0.37 0.00 0.00 40.66 41.35 3cem h LEU 391 CO 0.01 0.21 0.31 0.58 -0.34 0.00 0.00 178.44 179.21 3cem h VAL 392 N 0.21 1.21 -0.44 1.05 2.07 -1.14 -1.07 116.25 118.14 3cem h VAL 392 Ca 0.06 -0.60 -0.13 0.00 0.82 0.00 0.00 66.70 66.85 3cem h VAL 392 Cb 0.03 0.37 -0.01 0.00 -1.52 0.00 0.00 31.29 30.16 3cem h VAL 392 CO -0.01 0.25 -0.25 -0.08 0.02 0.00 0.00 177.57 177.50 3cem h GLU 393 N 0.93 0.92 -0.29 1.57 4.81 -1.17 1.00 114.58 122.35 3cem h GLU 393 Ca 0.23 -0.40 -0.08 0.00 -0.13 0.00 0.00 59.36 58.98 3cem h GLU 393 Cb 0.10 -0.03 -0.01 0.00 0.63 0.00 0.00 28.75 29.44 3cem h GLU 393 CO -0.03 1.06 -0.13 -0.22 -0.73 0.00 0.00 179.01 178.96 3cem h LYS 394 N 0.79 0.60 0.14 1.92 3.64 -1.03 -2.97 116.57 119.65 3cem h LYS 394 Ca 0.10 -0.26 -0.32 0.00 -1.27 0.00 0.00 60.65 58.90 3cem h LYS 394 Cb 0.81 -0.02 -0.00 0.00 -0.41 0.00 0.00 32.23 32.61 3cem h LYS 394 CO 0.07 0.83 -1.64 1.25 -2.27 0.00 0.00 179.45 177.68 3cem h LEU 395 N 0.34 0.48 -5.96 5.20 5.85 -0.76 -3.38 115.31 117.08 3cem h LEU 395 Ca 0.07 -0.90 -0.53 0.00 0.84 0.00 0.00 57.88 57.35 3cem h LEU 395 Cb 0.64 -0.16 -0.40 0.00 0.37 0.00 0.00 40.66 41.12 3cem h LEU 395 CO 0.04 1.73 -1.07 0.18 -0.34 0.00 0.00 178.44 178.98 3cem n LEU 396 N -3.73 1.07 0.27 2.25 4.77 0.34 0.55 117.00 122.52 3cem n LEU 396 Ca -0.26 -4.96 0.13 0.00 -0.03 0.00 0.00 56.01 50.88 3cem n LEU 396 Cb 0.99 0.48 0.77 0.00 -2.33 0.00 0.00 43.42 43.33 3cem n LEU 396 CO 0.45 2.18 1.03 1.55 -1.33 0.00 0.00 177.39 181.28 3cem h PRO 397 N 3.52 0.00 0.00 3.23 0.13 -1.51 -1.20 132.00 136.17 3cem h PRO 397 Ca 0.10 0.00 -0.14 0.00 -0.87 0.00 0.00 66.00 65.09 3cem h PRO 397 Cb 0.87 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 31.98 3cem h PRO 397 CO 0.53 0.07 -0.68 -0.09 -0.23 0.00 0.00 178.00 177.61 3cem h ARG 398 N 0.00 0.00 0.06 0.86 9.65 -1.90 -2.94 114.38 120.11 3cem h ARG 398 Ca -0.00 0.00 -0.25 0.00 -1.10 0.00 0.00 59.98 58.63 3cem h ARG 398 Cb 0.18 0.00 0.01 0.00 -1.39 0.00 0.00 29.97 28.77 3cem h ARG 398 CO 0.01 0.68 -1.08 0.45 2.80 0.00 0.00 179.97 182.83 3cem h HIS 399 N 0.00 0.68 -0.31 2.20 3.86 -1.60 -1.66 115.15 118.32 3cem h HIS 399 Ca -0.01 -0.41 0.06 0.00 -1.16 0.00 0.00 60.37 58.85 3cem h HIS 399 Cb 1.39 -0.06 -0.06 0.00 1.06 0.00 0.00 27.41 29.74 3cem h HIS 399 CO 0.00 1.26 -0.06 1.25 0.86 0.00 0.00 177.93 181.24 3cem h LEU 400 N 0.21 -0.25 -0.52 2.43 5.85 -1.39 0.12 115.31 121.76 3cem h LEU 400 Ca -0.12 0.09 0.02 0.00 0.84 0.00 0.00 57.88 58.71 3cem h LEU 400 Cb 1.74 0.18 -0.03 0.00 0.37 0.00 0.00 40.66 42.91 3cem h LEU 400 CO 0.19 -0.08 0.32 -0.33 -0.34 0.00 0.00 178.44 178.19 3cem h GLU 401 N 0.02 0.62 -0.80 1.25 5.08 -1.34 0.15 114.58 119.56 3cem h GLU 401 Ca 0.15 -0.04 0.01 0.00 -1.00 0.00 0.00 59.36 58.49 3cem h GLU 401 Cb 0.22 -0.14 -0.04 0.00 0.50 0.00 0.00 28.75 29.29 3cem h GLU 401 CO -0.30 0.41 0.53 0.82 -1.00 0.00 0.00 179.01 179.46 3cem h ILE 402 N 0.63 1.19 -0.03 3.13 2.04 -0.75 -0.22 117.51 123.50 3cem h ILE 402 Ca 0.21 -0.36 -0.01 0.00 1.00 0.00 0.00 64.86 65.70 3cem h ILE 402 Cb 0.01 0.04 -0.00 0.00 -0.74 0.00 0.00 36.82 36.12 3cem h ILE 402 CO -0.09 0.19 -0.02 0.40 0.00 0.00 0.00 178.15 178.64 3cem h ILE 403 N 1.06 1.33 -0.42 -0.67 2.04 0.18 0.16 117.51 121.18 3cem h ILE 403 Ca 0.30 -1.01 0.09 0.00 1.00 0.00 0.00 64.86 65.24 3cem h ILE 403 Cb -0.09 1.94 -0.09 0.00 -0.74 0.00 0.00 36.82 37.85 3cem h ILE 403 CO -0.07 0.27 -0.20 1.88 0.00 0.00 0.00 178.15 180.03 3cem h TYR 404 N -0.33 -0.51 -0.64 1.37 0.05 -0.84 0.79 116.97 116.85 3cem h TYR 404 Ca 0.01 0.05 0.02 0.00 0.05 0.00 0.00 58.73 58.85 3cem h TYR 404 Cb 0.45 0.29 -0.04 0.00 1.01 0.00 0.00 36.73 38.44 3cem h TYR 404 CO 0.07 -0.29 0.41 1.49 -1.05 0.00 0.00 178.16 178.79 3cem h GLU 405 N -0.12 0.79 -0.95 4.88 4.57 -0.79 0.11 114.58 123.06 3cem h GLU 405 Ca 0.20 -0.05 0.05 0.00 -1.18 0.00 0.00 59.36 58.39 3cem h GLU 405 Cb 0.44 -0.18 -0.06 0.00 -0.16 0.00 0.00 28.75 28.79 3cem h GLU 405 CO -0.50 0.52 0.62 0.82 -1.18 0.00 0.00 179.01 179.30 3cem h ILE 406 N 0.82 1.12 -0.33 2.32 2.04 0.28 -2.87 117.51 120.89 3cem h ILE 406 Ca 0.25 -0.40 -0.15 0.00 1.00 0.00 0.00 64.86 65.56 3cem h ILE 406 Cb -0.03 -0.13 -0.00 0.00 -0.74 0.00 0.00 36.82 35.92 3cem h ILE 406 CO -0.08 0.21 -0.39 -1.13 0.00 0.00 0.00 178.15 176.76 3cem h ASN 407 N 1.16 0.92 -0.11 1.72 -1.24 0.89 -2.28 115.58 116.63 3cem h ASN 407 Ca 0.39 -0.49 0.04 0.00 0.71 0.00 0.00 56.30 56.96 3cem h ASN 407 Cb 0.09 -0.26 -0.05 0.00 0.73 0.00 0.00 38.32 38.83 3cem h ASN 407 CO -0.14 1.22 -0.19 -0.61 -1.29 0.00 0.00 177.43 176.43 3cem h GLN 408 N 0.63 -0.24 -0.60 6.67 5.75 -0.74 0.46 115.11 127.05 3cem h GLN 408 Ca 0.04 0.02 -0.03 0.00 -0.15 0.00 0.00 58.65 58.53 3cem h GLN 408 Cb 0.98 0.05 -0.03 0.00 1.07 0.00 0.00 27.48 29.56 3cem h GLN 408 CO 0.09 -0.16 0.25 0.87 -2.65 0.00 0.00 178.83 177.23 3cem h LYS 409 N -0.25 0.89 0.19 1.69 1.79 -1.41 0.20 116.57 119.67 3cem h LYS 409 Ca 0.09 -0.16 -0.01 0.00 -2.18 0.00 0.00 60.65 58.40 3cem h LYS 409 Cb 0.38 -0.15 0.00 0.00 -1.58 0.00 0.00 32.23 30.88 3cem h LYS 409 CO -0.25 0.75 -0.09 1.25 -1.08 0.00 0.00 179.45 180.03 3cem h HIS 410 N 0.83 -0.24 -0.46 -1.35 2.76 -1.28 -1.64 115.15 113.77 3cem h HIS 410 Ca 0.20 -0.01 -0.07 0.00 -2.20 0.00 0.00 60.37 58.29 3cem h HIS 410 Cb 0.19 0.08 -0.02 0.00 1.55 0.00 0.00 27.41 29.21 3cem h HIS 410 CO 0.01 -0.14 -0.02 -0.07 -1.30 0.00 0.00 177.93 176.41 3cem h LEU 411 N -0.27 0.74 -0.97 0.26 3.38 -0.61 -2.51 115.31 115.33 3cem h LEU 411 Ca -0.03 -0.18 0.03 0.00 0.09 0.00 0.00 57.88 57.79 3cem h LEU 411 Cb 0.21 -0.20 -0.06 0.00 0.09 0.00 0.00 40.66 40.70 3cem h LEU 411 CO 0.04 0.82 0.64 0.44 0.09 0.00 0.00 178.44 180.47 3cem h ASP 412 N 0.72 1.06 0.82 -0.43 3.32 -0.32 0.40 116.42 121.99 3cem h ASP 412 Ca 0.14 -0.01 -0.08 0.00 0.02 0.00 0.00 57.03 57.10 3cem h ASP 412 Cb 0.47 -0.24 -0.01 0.00 0.22 0.00 0.00 39.33 39.76 3cem h ASP 412 CO 0.02 0.73 -0.37 -0.09 -1.72 0.00 0.00 179.24 177.81 3cem h ARG 413 N 1.24 0.00 0.17 3.56 1.12 -1.05 -2.11 114.38 117.30 3cem h ARG 413 Ca 0.38 0.00 -0.31 0.00 -1.11 0.00 0.00 59.98 58.95 3cem h ARG 413 Cb -0.01 0.00 0.03 0.00 -0.01 0.00 0.00 29.97 29.97 3cem h ARG 413 CO -0.12 0.37 -1.33 0.82 -3.11 0.00 0.00 179.97 176.61 3cem h ILE 414 N 0.00 1.33 0.03 1.20 2.04 -0.56 -3.04 117.51 118.50 3cem h ILE 414 Ca -0.00 -2.68 0.02 0.00 1.00 0.00 0.00 64.86 63.20 3cem h ILE 414 Cb 0.88 2.87 -0.05 0.00 -0.74 0.00 0.00 36.82 39.78 3cem h ILE 414 CO 0.05 0.80 -0.47 0.58 0.00 0.00 0.00 178.15 179.11 3cem h VAL 415 N 0.18 0.09 -1.14 1.67 2.07 -1.05 -1.14 116.25 116.93 3cem h VAL 415 Ca -0.20 0.00 0.32 0.00 0.82 0.00 0.00 66.70 67.64 3cem h VAL 415 Cb 2.01 0.09 -0.06 0.00 -1.52 0.00 0.00 31.29 31.81 3cem h VAL 415 CO 0.24 0.00 0.80 0.00 0.02 0.00 0.00 177.57 178.63 3cem h ALA 416 N -0.21 2.88 0.00 1.67 0.00 -1.41 -2.19 119.26 119.99 3cem h ALA 416 Ca 0.03 -0.01 -0.21 0.00 0.00 0.00 0.00 54.91 54.72 3cem h ALA 416 Cb 0.69 0.08 -0.04 0.00 0.00 0.00 0.00 17.79 18.52 3cem h ALA 416 CO -0.32 -1.24 -1.77 1.28 0.00 0.00 0.00 179.25 177.21 3cem n LEU 417 N -4.31 0.53 -3.24 0.00 4.77 -1.03 -4.64 117.00 109.09 3cem n LEU 417 Ca 0.25 0.24 -0.24 0.00 -0.03 0.00 0.00 56.01 56.22 3cem n LEU 417 Cb 1.15 0.18 -0.08 0.00 -2.33 0.00 0.00 43.42 42.34 3cem n LEU 417 CO 0.36 0.24 -0.29 0.49 -1.33 0.00 0.00 177.39 176.85 3cem n PHE 418 N -2.78 -0.62 0.15 -1.77 3.01 -0.46 -5.05 117.46 109.94 3cem n PHE 418 Ca -0.15 -3.43 0.17 0.00 1.01 0.00 0.00 57.45 55.04 3cem n PHE 418 Cb 0.90 -0.12 0.76 0.00 -0.01 0.00 0.00 39.48 41.02 3cem n PHE 418 CO 0.00 0.00 0.00 -1.35 1.01 0.00 0.00 176.76 176.42 3cem h PRO 419 N 4.49 0.00 -0.33 -1.08 0.11 -1.74 -1.64 132.00 131.82 3cem h PRO 419 Ca 0.13 0.00 -0.25 0.00 0.11 0.00 0.00 66.00 65.98 3cem h PRO 419 Cb 0.89 0.00 -0.37 0.00 0.11 0.00 0.00 31.00 31.64 3cem h PRO 419 CO 0.43 0.00 -1.00 1.17 -0.21 0.00 0.00 178.00 178.39 3cem n LYS 420 N -4.06 1.57 -2.94 1.05 3.00 -1.26 -4.90 118.16 110.62 3cem n LYS 420 Ca 0.03 -3.20 -0.44 0.00 -0.00 0.00 0.00 58.31 54.70 3cem n LYS 420 Cb 0.38 -1.30 -0.02 0.00 0.00 0.00 0.00 35.03 34.09 3cem n LYS 420 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.40 177.74 3cem s ASP 421 N -3.25 6.73 0.16 3.14 3.68 -0.62 -4.88 116.67 121.63 3cem s ASP 421 Ca 0.34 -2.26 -0.15 0.00 2.13 0.00 0.00 52.55 52.60 3cem s ASP 421 Cb 0.36 -2.40 0.06 0.00 -1.45 0.00 0.00 42.92 39.49 3cem s ASP 421 CO -0.06 -0.98 1.80 1.62 0.13 0.00 0.00 175.17 177.67 3cem h VAL 422 N 5.56 1.04 0.00 1.11 3.04 -1.90 -3.10 116.25 122.00 3cem h VAL 422 Ca 0.19 -0.18 0.00 0.00 -1.01 0.00 0.00 66.70 65.70 3cem h VAL 422 Cb 0.99 0.48 0.00 0.00 -2.01 0.00 0.00 31.29 30.75 3cem h VAL 422 CO 1.13 0.09 0.00 -0.78 -1.01 0.00 0.00 177.57 177.00 3cem h ASP 423 N 0.52 0.00 -0.59 3.17 3.58 -1.99 -3.14 116.42 117.97 3cem h ASP 423 Ca 0.17 0.00 -0.10 0.00 0.42 0.00 0.00 57.03 57.52 3cem h ASP 423 Cb 0.01 0.00 -0.02 0.00 1.72 0.00 0.00 39.33 41.04 3cem h ASP 423 CO -0.08 0.00 -0.04 -0.09 -2.88 0.00 0.00 179.24 176.15 3cem h ARG 424 N 0.00 1.07 -0.67 0.28 2.43 -1.96 -2.12 114.38 113.40 3cem h ARG 424 Ca 0.00 -0.36 0.13 0.00 -0.81 0.00 0.00 59.98 58.94 3cem h ARG 424 Cb 0.84 -0.09 -0.09 0.00 -0.42 0.00 0.00 29.97 30.21 3cem h ARG 424 CO 0.00 1.06 0.19 -0.07 -1.51 0.00 0.00 179.97 179.64 3cem h LEU 425 N 0.96 0.08 0.00 3.80 3.38 -1.63 -1.82 115.31 120.08 3cem h LEU 425 Ca 0.16 0.12 0.00 0.00 0.09 0.00 0.00 57.88 58.25 3cem h LEU 425 Cb 0.60 0.14 0.00 0.00 0.09 0.00 0.00 40.66 41.50 3cem h LEU 425 CO 0.04 0.03 -0.50 0.08 0.09 0.00 0.00 178.44 178.17 3cem h ARG 426 N 0.32 0.00 0.00 1.13 -0.00 -1.57 -2.47 114.38 111.79 3cem h ARG 426 Ca 0.36 0.00 -0.07 0.00 -0.00 0.00 0.00 59.98 60.27 3cem h ARG 426 Cb 0.56 0.00 -0.01 0.00 -0.00 0.00 0.00 29.97 30.52 3cem h ARG 426 CO -0.43 0.00 -0.35 0.00 -0.00 0.00 0.00 179.97 179.19 3cem h ARG 427 N 0.00 0.00 -0.03 0.08 3.08 -1.09 -3.27 114.38 113.14 3cem h ARG 427 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 3cem h ARG 427 Cb 0.91 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.96 3cem h ARG 427 CO 0.00 0.35 0.00 -1.33 -1.07 0.00 0.00 179.97 177.92 3cem n MET 428 N -3.50 1.13 -2.70 0.04 2.81 -0.71 -5.00 117.12 109.18 3cem n MET 428 Ca -0.00 -1.42 -0.39 0.00 -1.81 0.00 0.00 57.70 54.09 3cem n MET 428 Cb 0.51 -1.29 -0.06 0.00 -0.71 0.00 0.00 33.22 31.67 3cem n MET 428 CO 0.00 0.00 0.00 0.45 1.51 0.00 0.00 175.97 177.93 3cem s SER 429 N -1.23 7.42 0.23 7.83 0.15 -0.94 -4.92 113.70 122.23 3cem s SER 429 Ca 0.18 1.97 0.23 0.00 0.70 0.00 0.00 55.95 59.03 3cem s SER 429 Cb 0.13 -2.60 0.94 0.00 -1.71 0.00 0.00 66.02 62.77 3cem s SER 429 CO 0.19 -0.01 1.70 0.18 1.20 0.00 0.00 173.24 176.50 3cem n LEU 430 N 1.01 0.62 -4.77 3.45 4.77 -1.26 -4.66 117.00 116.17 3cem n LEU 430 Ca -0.00 0.64 -0.36 0.00 -0.03 0.00 0.00 56.01 56.26 3cem n LEU 430 Cb 0.48 -0.54 -0.08 0.00 -2.33 0.00 0.00 43.42 40.95 3cem n LEU 430 CO 0.48 -0.49 -0.25 -0.63 -1.33 0.00 0.00 177.39 175.18 3cem s ILE 431 N -3.26 4.84 -0.14 -0.08 -1.09 -1.26 0.46 121.20 120.66 3cem s ILE 431 Ca 0.05 -0.05 0.01 0.00 -2.23 0.00 0.00 60.65 58.43 3cem s ILE 431 Cb 0.10 -3.07 -0.00 0.00 -1.58 0.00 0.00 42.46 37.91 3cem s ILE 431 CO 0.41 0.61 -0.17 -1.61 -1.23 0.00 0.00 174.94 172.95 3cem s GLU 432 N -0.93 3.20 -0.09 2.79 2.02 0.41 -4.91 118.70 121.19 3cem s GLU 432 Ca 0.14 -0.77 0.12 0.00 0.02 0.00 0.00 54.97 54.48 3cem s GLU 432 Cb -0.12 -2.57 -0.18 0.00 0.10 0.00 0.00 34.13 31.37 3cem s GLU 432 CO 0.03 0.06 0.14 -1.91 0.02 0.00 0.00 175.26 173.59 3cem n GLU 433 N 3.93 1.37 -1.97 1.61 4.07 -1.26 -2.21 120.64 126.19 3cem n GLU 433 Ca -0.19 -0.05 -0.42 0.00 -0.06 0.00 0.00 57.16 56.44 3cem n GLU 433 Cb 0.52 -1.33 -0.03 0.00 -0.06 0.00 0.00 31.44 30.55 3cem n GLU 433 CO 0.00 0.00 0.00 -1.83 -0.06 0.00 0.00 177.13 175.24 3cem s GLU 434 N -2.54 4.18 6.98 5.31 1.03 -1.26 -4.25 118.70 128.15 3cem s GLU 434 Ca -0.06 2.24 0.00 0.00 0.03 0.00 0.00 54.97 57.18 3cem s GLU 434 Cb 0.06 -3.97 0.00 0.00 -0.80 0.00 0.00 34.13 29.42 3cem s GLU 434 CO 0.54 -0.84 0.00 0.41 -1.33 0.00 0.00 175.26 174.04 3cem n GLY 435 N 4.15 2.00 0.43 -3.83 0.00 -1.26 -4.24 105.19 102.45 3cem n GLY 435 Ca 0.17 -0.33 -0.12 0.00 0.00 0.00 0.00 46.02 45.74 3cem n GLY 435 CO 0.00 0.00 0.00 0.23 0.00 0.00 0.00 173.32 173.55 3cem h SER 436 N 0.00 -1.99 -2.32 1.61 0.87 -1.92 -3.49 113.55 106.31 3cem h SER 436 Ca 0.00 0.29 0.00 0.00 -1.23 0.00 0.00 61.79 60.85 3cem h SER 436 Cb 0.00 0.86 0.00 0.00 -0.44 0.00 0.00 62.40 62.82 3cem h SER 436 CO 0.00 -0.31 0.00 0.29 -0.53 0.00 0.00 176.83 176.28 3cem n LYS 437 N -5.32 0.00 -4.04 2.24 5.02 -1.24 -4.86 118.16 109.96 3cem n LYS 437 Ca -0.00 0.39 -0.12 0.00 -2.02 0.00 0.00 58.31 56.55 3cem n LYS 437 Cb 0.30 -0.20 -0.12 0.00 -0.02 0.00 0.00 35.03 34.99 3cem n LYS 437 CO 0.00 0.00 0.00 1.03 -0.52 0.00 0.00 177.40 177.91 3cem s ARG 438 N -2.36 0.43 -0.20 1.97 0.52 -0.94 -2.08 118.95 116.30 3cem s ARG 438 Ca 0.00 -0.61 -0.21 0.00 -0.52 0.00 0.00 55.73 54.39 3cem s ARG 438 Cb 0.00 -0.19 -0.03 0.00 0.52 0.00 0.00 34.95 35.25 3cem s ARG 438 CO 0.00 0.03 0.62 0.42 0.02 0.00 0.00 175.30 176.39 3cem s ILE 439 N -1.18 5.02 -0.62 1.52 1.01 0.57 -0.45 121.20 127.08 3cem s ILE 439 Ca -0.10 1.17 -0.26 0.00 0.00 0.00 0.00 60.65 61.46 3cem s ILE 439 Cb -0.09 -3.94 0.04 0.00 0.01 0.00 0.00 42.46 38.49 3cem s ILE 439 CO -0.00 0.11 1.12 0.21 0.00 0.00 0.00 174.94 176.38 3cem s ASN 440 N 1.21 6.32 0.35 3.58 3.84 0.17 -2.37 114.94 128.04 3cem s ASN 440 Ca 0.28 -0.28 0.16 0.00 0.21 0.00 0.00 52.86 53.23 3cem s ASN 440 Cb -0.16 -2.51 0.62 0.00 -0.55 0.00 0.00 41.25 38.66 3cem s ASN 440 CO 0.10 -1.49 1.73 0.24 -2.79 0.00 0.00 177.10 174.88 3cem h MET 441 N 9.60 0.00 -0.23 0.43 2.86 -1.78 -2.14 114.93 123.68 3cem h MET 441 Ca -0.26 0.00 -0.09 0.00 -2.06 0.00 0.00 59.70 57.28 3cem h MET 441 Cb 1.06 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.71 3cem h MET 441 CO 1.18 0.44 -0.27 0.00 1.06 0.00 0.00 176.91 179.32 3cem h ALA 442 N 1.56 1.12 -0.43 6.32 0.00 -1.91 -0.77 119.26 125.15 3cem h ALA 442 Ca -0.00 -0.35 -0.13 0.00 0.00 0.00 0.00 54.91 54.43 3cem h ALA 442 Cb 0.89 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.56 3cem h ALA 442 CO 0.06 0.55 -0.25 0.45 0.00 0.00 0.00 179.25 180.06 3cem h HIS 443 N 0.39 1.08 -0.57 0.00 3.86 -1.78 -1.38 115.15 116.76 3cem h HIS 443 Ca 0.06 -0.28 0.11 0.00 -1.16 0.00 0.00 60.37 59.09 3cem h HIS 443 Cb 0.67 -0.25 -0.08 0.00 1.06 0.00 0.00 27.41 28.81 3cem h HIS 443 CO 0.02 1.09 0.09 1.25 0.86 0.00 0.00 177.93 181.24 3cem h LEU 444 N 0.76 -0.06 -1.04 2.43 5.85 -1.19 -1.55 115.31 120.51 3cem h LEU 444 Ca 0.09 0.11 -0.09 0.00 0.84 0.00 0.00 57.88 58.84 3cem h LEU 444 Cb 0.83 0.17 -0.01 0.00 0.37 0.00 0.00 40.66 42.02 3cem h LEU 444 CO 0.07 -0.01 -0.26 0.00 -0.34 0.00 0.00 178.44 177.90 3cem h ILE 446 N 0.33 1.24 0.00 0.00 2.04 -0.48 -2.93 117.51 117.71 3cem h ILE 446 Ca 0.05 -0.83 -0.12 0.00 1.00 0.00 0.00 64.86 64.96 3cem h ILE 446 Cb 0.64 1.36 -0.02 0.00 -0.74 0.00 0.00 36.82 38.06 3cem h ILE 446 CO 0.05 0.26 -0.59 -0.37 0.00 0.00 0.00 178.15 177.49 3cem h VAL 447 N 0.15 1.32 -0.16 1.67 -1.51 -1.22 -3.03 116.25 113.48 3cem h VAL 447 Ca 0.06 -2.10 0.00 0.00 -1.23 0.00 0.00 66.70 63.43 3cem h VAL 447 Cb 0.37 2.17 0.00 0.00 -2.13 0.00 0.00 31.29 31.69 3cem h VAL 447 CO 0.01 0.58 0.00 0.61 -1.23 0.00 0.00 177.57 177.54 3cem n GLY 448 N 0.37 0.14 3.30 5.19 0.00 -0.93 -4.92 105.19 108.34 3cem n GLY 448 Ca -0.01 -0.37 -0.20 0.00 0.00 0.00 0.00 46.02 45.44 3cem n GLY 448 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3cem s SER 449 N -1.49 2.44 0.00 1.61 0.01 -1.11 -3.94 113.70 111.23 3cem s SER 449 Ca 0.30 -0.84 0.26 0.00 1.31 0.00 0.00 55.95 56.97 3cem s SER 449 Cb 0.16 -0.13 0.55 0.00 0.21 0.00 0.00 66.02 66.82 3cem s SER 449 CO 0.24 -0.07 1.45 0.00 0.41 0.00 0.00 173.24 175.26 3cem n HIS 450 N 0.38 0.00 -3.70 2.43 1.44 -0.82 -4.89 115.22 110.05 3cem n HIS 450 Ca -0.14 0.00 -0.11 0.00 -2.01 0.00 0.00 57.72 55.46 3cem n HIS 450 Cb 0.57 -0.04 -0.10 0.00 0.12 0.00 0.00 29.99 30.55 3cem n HIS 450 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 3cem s ALA 451 N -2.25 -1.17 -0.11 1.59 0.00 -1.26 -4.74 121.76 113.82 3cem s ALA 451 Ca 0.28 1.53 0.03 0.00 0.00 0.00 0.00 51.96 53.80 3cem s ALA 451 Cb 0.20 -0.91 0.01 0.00 0.00 0.00 0.00 23.12 22.41 3cem s ALA 451 CO 0.43 -0.26 -0.19 0.08 0.00 0.00 0.00 175.76 175.82 3cem s VAL 452 N 0.96 1.75 0.05 0.00 1.01 -0.82 -0.52 120.40 122.84 3cem s VAL 452 Ca -0.06 -0.82 0.05 0.00 0.00 0.00 0.00 61.98 61.15 3cem s VAL 452 Cb -0.06 -1.55 -0.02 0.00 0.00 0.00 0.00 36.38 34.74 3cem s VAL 452 CO -0.08 0.49 -0.13 0.54 0.00 0.00 0.00 175.10 175.92 3cem s ASN 453 N 0.68 1.53 0.08 3.32 4.22 -0.40 -0.16 114.94 124.21 3cem s ASN 453 Ca -0.12 -0.53 0.01 0.00 -2.14 0.00 0.00 52.86 50.08 3cem s ASN 453 Cb -0.16 -0.06 0.01 0.00 1.28 0.00 0.00 41.25 42.32 3cem s ASN 453 CO 0.03 -0.05 0.11 0.61 -2.04 0.00 0.00 177.10 175.76 3cem n GLY 454 N 1.59 2.10 0.00 0.45 0.00 -1.05 -0.43 105.19 107.86 3cem n GLY 454 Ca -0.20 -2.15 0.00 0.00 0.00 0.00 0.00 46.02 43.67 3cem n GLY 454 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 3cem n VAL 455 N -1.11 0.55 -3.54 1.61 0.24 -1.26 -1.75 118.33 113.08 3cem n VAL 455 Ca 0.02 -0.78 -0.12 0.00 -2.04 0.00 0.00 64.34 61.42 3cem n VAL 455 Cb 0.09 0.72 -0.04 0.00 -1.47 0.00 0.00 33.84 33.14 3cem n VAL 455 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3cem s ALA 456 N -0.56 -1.85 0.22 2.33 0.00 -1.26 -0.93 121.76 119.72 3cem s ALA 456 Ca 0.00 1.32 -0.11 0.00 0.00 0.00 0.00 51.96 53.17 3cem s ALA 456 Cb 0.00 -0.17 0.31 0.00 0.00 0.00 0.00 23.12 23.26 3cem s ALA 456 CO 0.00 -0.44 1.63 0.87 0.00 0.00 0.00 175.76 177.82 3cem h LYS 457 N 2.50 0.04 -0.51 0.00 1.57 -1.90 0.12 116.57 118.38 3cem h LYS 457 Ca -0.22 -0.00 -0.06 0.00 -1.87 0.00 0.00 60.65 58.50 3cem h LYS 457 Cb 1.18 -0.01 -0.02 0.00 0.08 0.00 0.00 32.23 33.46 3cem h LYS 457 CO 0.33 0.02 0.07 0.97 -0.57 0.00 0.00 179.45 180.28 3cem h ILE 458 N 0.04 1.23 0.12 1.86 2.10 -1.91 -0.25 117.51 120.70 3cem h ILE 458 Ca 0.34 -0.90 -0.01 0.00 1.08 0.00 0.00 64.86 65.38 3cem h ILE 458 Cb 0.55 0.76 0.00 0.00 -1.09 0.00 0.00 36.82 37.04 3cem h ILE 458 CO -0.66 0.32 -0.06 -0.74 -1.08 0.00 0.00 178.15 175.94 3cem h HIS 459 N 0.77 -0.15 -0.92 2.19 2.76 -1.37 -2.33 115.15 116.10 3cem h HIS 459 Ca 0.16 -0.00 0.12 0.00 -2.20 0.00 0.00 60.37 58.45 3cem h HIS 459 Cb 0.36 0.05 -0.07 0.00 1.55 0.00 0.00 27.41 29.30 3cem h HIS 459 CO 0.02 0.33 0.59 0.77 -1.30 0.00 0.00 177.93 178.35 3cem h SER 460 N -0.87 0.79 0.01 3.26 0.02 -0.82 -0.32 113.55 115.61 3cem h SER 460 Ca -0.02 0.04 -0.00 0.00 -0.84 0.00 0.00 61.79 60.97 3cem h SER 460 Cb 0.55 -0.12 0.00 0.00 0.14 0.00 0.00 62.40 62.96 3cem h SER 460 CO 0.03 0.43 -0.00 -0.78 -1.14 0.00 0.00 176.83 175.36 3cem h ASP 461 N 0.85 -0.01 -0.31 3.07 3.58 -1.01 -1.14 116.42 121.45 3cem h ASP 461 Ca 0.45 -0.16 0.07 0.00 0.42 0.00 0.00 57.03 57.81 3cem h ASP 461 Cb 0.54 0.00 -0.07 0.00 1.72 0.00 0.00 39.33 41.53 3cem h ASP 461 CO -0.21 0.15 -0.14 0.40 -2.88 0.00 0.00 179.24 176.56 3cem h ILE 462 N -0.17 0.57 -0.64 2.25 5.03 -0.80 0.32 117.51 124.07 3cem h ILE 462 Ca -0.00 0.00 0.13 0.00 -0.12 0.00 0.00 64.86 64.87 3cem h ILE 462 Cb 0.17 0.57 -0.10 0.00 -3.03 0.00 0.00 36.82 34.42 3cem h ILE 462 CO 0.00 0.00 0.05 0.58 -0.68 0.00 0.00 178.15 178.10 3cem h VAL 463 N -0.09 0.51 0.12 1.67 2.07 -1.01 0.12 116.25 119.65 3cem h VAL 463 Ca 0.16 -0.06 -0.01 0.00 0.82 0.00 0.00 66.70 67.62 3cem h VAL 463 Cb 0.33 0.34 0.00 0.00 -1.52 0.00 0.00 31.29 30.43 3cem h VAL 463 CO -0.37 0.03 -0.06 0.50 0.02 0.00 0.00 177.57 177.70 3cem h LYS 464 N 0.16 -0.15 0.00 1.57 3.64 -0.73 0.10 116.57 121.16 3cem h LYS 464 Ca 0.34 0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.73 3cem h LYS 464 Cb 0.55 0.03 0.00 0.00 -0.41 0.00 0.00 32.23 32.41 3cem h LYS 464 CO -0.51 0.33 -0.92 0.25 -2.27 0.00 0.00 179.45 176.33 3cem n THR 465 N -4.88 0.17 0.00 1.00 -2.24 0.06 -3.21 114.28 105.17 3cem n THR 465 Ca -0.08 -0.21 0.00 0.00 -2.27 0.00 0.00 64.05 61.49 3cem n THR 465 Cb 0.28 0.21 0.00 0.00 -2.10 0.00 0.00 70.33 68.71 3cem n THR 465 CO 0.00 0.00 0.00 1.17 -0.57 0.00 0.00 175.07 175.67 3cem n LYS 466 N -1.91 0.00 -0.18 -0.78 3.00 -0.48 -4.44 118.16 113.38 3cem n LYS 466 Ca 0.03 0.00 -0.09 0.00 -0.00 0.00 0.00 58.31 58.24 3cem n LYS 466 Cb 0.42 -0.03 0.01 0.00 0.00 0.00 0.00 35.03 35.43 3cem n LYS 466 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.40 177.68 3cem h VAL 467 N 0.00 1.25 -0.40 3.15 2.07 -1.04 -3.06 116.25 118.22 3cem h VAL 467 Ca 0.00 -0.98 -0.28 0.00 0.82 0.00 0.00 66.70 66.26 3cem h VAL 467 Cb 0.00 0.91 -0.21 0.00 -1.52 0.00 0.00 31.29 30.47 3cem h VAL 467 CO 0.00 0.35 -0.56 0.49 0.02 0.00 0.00 177.57 177.87 3cem n PHE 468 N -4.38 1.42 -0.28 1.57 3.01 0.34 -4.77 117.46 114.37 3cem n PHE 468 Ca 0.01 -1.88 0.00 0.00 1.01 0.00 0.00 57.45 56.60 3cem n PHE 468 Cb 0.27 -0.35 0.07 0.00 -0.01 0.00 0.00 39.48 39.46 3cem n PHE 468 CO 0.00 0.00 0.00 -0.22 1.01 0.00 0.00 176.76 177.55 3cem h LYS 469 N 1.55 -0.04 -0.96 -1.08 3.64 -1.50 0.14 116.57 118.33 3cem h LYS 469 Ca 0.20 0.00 0.19 0.00 -1.27 0.00 0.00 60.65 59.77 3cem h LYS 469 Cb 1.30 0.01 -0.09 0.00 -0.41 0.00 0.00 32.23 33.04 3cem h LYS 469 CO 0.42 -0.02 0.61 -0.44 -2.27 0.00 0.00 179.45 177.75 3cem h ASP 470 N -0.04 0.62 0.18 4.20 3.45 -1.86 -2.49 116.42 120.49 3cem h ASP 470 Ca 0.35 0.07 -0.30 0.00 0.43 0.00 0.00 57.03 57.57 3cem h ASP 470 Cb 0.58 -0.05 0.02 0.00 -0.56 0.00 0.00 39.33 39.32 3cem h ASP 470 CO -0.82 0.25 -1.45 -0.26 -1.57 0.00 0.00 179.24 175.38 3cem h PHE 471 N 0.62 0.71 0.00 4.55 -1.00 -1.16 -3.34 116.94 117.32 3cem h PHE 471 Ca 0.52 -0.52 -0.02 0.00 2.81 0.00 0.00 57.97 60.76 3cem h PHE 471 Cb 0.98 -0.03 -0.00 0.00 3.61 0.00 0.00 35.95 40.51 3cem h PHE 471 CO -0.00 1.56 -0.12 0.66 -1.61 0.00 0.00 178.31 178.80 3cem h SER 472 N -0.05 0.00 -0.56 2.17 4.64 -1.11 -2.77 113.55 115.86 3cem h SER 472 Ca -0.28 0.00 -0.07 0.00 -0.47 0.00 0.00 61.79 60.97 3cem h SER 472 Cb 1.97 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 64.04 3cem h SER 472 CO 0.17 0.12 0.10 -0.33 -0.87 0.00 0.00 176.83 176.02 3cem h GLU 473 N 0.00 0.97 0.00 4.77 5.08 -1.58 -0.69 114.58 123.13 3cem h GLU 473 Ca -0.00 -0.24 -0.10 0.00 -1.00 0.00 0.00 59.36 58.02 3cem h GLU 473 Cb 0.81 -0.12 -0.01 0.00 0.50 0.00 0.00 28.75 29.92 3cem h GLU 473 CO 0.02 0.89 -0.49 1.25 -1.00 0.00 0.00 179.01 179.68 3cem h LEU 474 N 0.91 0.00 -5.91 1.33 5.85 -1.64 -3.39 115.31 112.46 3cem h LEU 474 Ca 0.19 0.00 -0.16 0.00 0.84 0.00 0.00 57.88 58.75 3cem h LEU 474 Cb 0.39 0.00 -0.22 0.00 0.37 0.00 0.00 40.66 41.20 3cem h LEU 474 CO 0.01 0.49 -0.53 -1.83 -0.34 0.00 0.00 178.44 176.24 3cem s GLU 475 N -3.75 0.83 0.14 1.25 -1.05 -1.06 -5.05 118.70 110.01 3cem s GLU 475 Ca -0.01 -0.60 -0.13 0.00 -0.15 0.00 0.00 54.97 54.08 3cem s GLU 475 Cb 0.13 -0.16 -0.01 0.00 -0.44 0.00 0.00 34.13 33.64 3cem s GLU 475 CO 0.73 -1.22 1.54 -1.00 0.95 0.00 0.00 175.26 176.26 3cem h PRO 476 N 6.61 0.84 0.00 -4.83 0.13 -1.33 -2.62 132.00 130.80 3cem h PRO 476 Ca 0.06 -0.32 0.00 0.00 -0.87 0.00 0.00 66.00 64.87 3cem h PRO 476 Cb 1.13 -0.05 0.00 0.00 0.13 0.00 0.00 31.00 32.21 3cem h PRO 476 CO 0.11 0.95 0.28 -0.44 -0.23 0.00 0.00 178.00 178.67 3cem h ASP 477 N 0.67 0.00 -0.04 1.44 3.32 -1.97 -2.16 116.42 117.68 3cem h ASP 477 Ca 0.11 0.00 -0.19 0.00 0.02 0.00 0.00 57.03 56.97 3cem h ASP 477 Cb 0.64 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.20 3cem h ASP 477 CO 0.04 0.00 -0.68 0.50 -1.72 0.00 0.00 179.24 177.39 3cem h LYS 478 N 0.00 0.66 -6.34 3.56 3.64 -1.76 -3.45 116.57 112.88 3cem h LYS 478 Ca 0.00 -0.49 -0.54 0.00 -1.27 0.00 0.00 60.65 58.35 3cem h LYS 478 Cb 0.55 0.09 -0.03 0.00 -0.41 0.00 0.00 32.23 32.42 3cem h LYS 478 CO 0.00 1.11 0.20 -0.06 -2.27 0.00 0.00 179.45 178.43 3cem s PHE 479 N -3.84 3.75 0.30 1.91 0.40 -0.81 -1.94 117.98 117.75 3cem s PHE 479 Ca -0.09 1.53 0.05 0.00 -0.60 0.00 0.00 56.93 57.83 3cem s PHE 479 Cb 0.10 -2.87 -0.03 0.00 0.51 0.00 0.00 43.02 40.73 3cem s PHE 479 CO 0.87 0.25 0.22 -0.65 0.70 0.00 0.00 175.22 176.62 3cem s GLN 480 N -0.00 1.62 -0.03 0.44 -0.21 0.77 -4.93 119.66 117.31 3cem s GLN 480 Ca 0.40 -1.92 0.06 0.00 0.02 0.00 0.00 55.36 53.92 3cem s GLN 480 Cb -0.21 0.22 -0.02 0.00 1.00 0.00 0.00 33.01 34.00 3cem s GLN 480 CO 0.24 -0.56 -0.21 1.21 -2.12 0.00 0.00 175.29 173.85 3cem s ASN 481 N -3.34 3.48 -0.27 5.90 3.84 -1.26 -2.53 114.94 120.77 3cem s ASN 481 Ca 0.39 -0.35 -0.03 0.00 0.21 0.00 0.00 52.86 53.08 3cem s ASN 481 Cb 0.04 -0.56 0.09 0.00 -0.55 0.00 0.00 41.25 40.27 3cem s ASN 481 CO 0.22 0.33 0.10 -0.54 -2.79 0.00 0.00 177.10 174.42 3cem s LYS 482 N -0.69 0.41 0.20 0.43 -0.14 -0.72 -4.94 119.74 114.29 3cem s LYS 482 Ca 0.11 -0.62 -0.31 0.00 -1.36 0.00 0.00 55.97 53.79 3cem s LYS 482 Cb -0.10 -1.65 -0.10 0.00 -1.68 0.00 0.00 37.83 34.30 3cem s LYS 482 CO -0.00 -0.91 1.48 0.99 -0.76 0.00 0.00 175.35 176.15 3cem s THR 483 N 1.92 2.75 1.07 2.17 2.01 -1.26 -4.17 115.64 120.13 3cem s THR 483 Ca 0.07 0.58 -0.15 0.00 0.31 0.00 0.00 61.69 62.49 3cem s THR 483 Cb -0.17 -3.37 0.12 0.00 0.01 0.00 0.00 72.50 69.09 3cem s THR 483 CO -0.25 0.07 0.36 0.59 -0.69 0.00 0.00 174.62 174.69 3cem n ASN 484 N 3.20 -2.01 -3.50 3.53 3.02 -0.10 -4.62 115.26 114.78 3cem n ASN 484 Ca 0.10 0.03 -0.10 0.00 -0.03 0.00 0.00 54.58 54.58 3cem n ASN 484 Cb 0.40 -1.11 -0.02 0.00 -0.61 0.00 0.00 39.78 38.43 3cem n ASN 484 CO 0.00 0.00 0.00 -0.83 -2.62 0.00 0.00 177.26 173.81 3cem s GLY 485 N -2.03 0.66 0.14 7.41 0.00 -1.26 -4.84 107.32 107.40 3cem s GLY 485 Ca 0.59 -0.94 0.06 0.00 0.00 0.00 0.00 44.72 44.43 3cem s GLY 485 CO 0.66 -0.57 -0.14 -0.26 0.00 0.00 0.00 173.10 172.79 3cem s ILE 486 N -3.30 1.38 -0.04 0.90 -4.36 0.10 -4.37 121.20 111.51 3cem s ILE 486 Ca 0.21 -1.85 -0.24 0.00 -0.26 0.00 0.00 60.65 58.51 3cem s ILE 486 Cb -0.02 -1.67 -0.04 0.00 1.25 0.00 0.00 42.46 41.98 3cem s ILE 486 CO 0.12 -0.49 0.73 0.28 0.24 0.00 0.00 174.94 175.82 3cem s THR 487 N -2.45 4.98 -2.00 8.37 -1.32 -1.26 0.21 115.64 122.17 3cem s THR 487 Ca 0.12 1.51 0.27 0.00 -1.21 0.00 0.00 61.69 62.38 3cem s THR 487 Cb -0.03 -4.07 0.76 0.00 -1.51 0.00 0.00 72.50 67.65 3cem s THR 487 CO 0.03 0.27 2.02 -0.81 -2.21 0.00 0.00 174.62 173.92 3cem n PRO 488 N 3.61 0.99 0.09 7.08 -0.04 -1.26 -2.36 135.00 143.11 3cem n PRO 488 Ca -0.01 0.00 -0.04 0.00 -0.04 0.00 0.00 63.50 63.41 3cem n PRO 488 Cb 0.51 -1.42 -0.02 0.00 -0.04 0.00 0.00 33.50 32.53 3cem n PRO 488 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3cem h ARG 489 N 0.00 -0.23 -0.48 0.54 -0.00 -1.90 -2.56 114.38 109.75 3cem h ARG 489 Ca 0.00 0.02 -0.08 0.00 -0.50 0.00 0.00 59.98 59.42 3cem h ARG 489 Cb 0.00 0.05 -0.02 0.00 0.00 0.00 0.00 29.97 30.00 3cem h ARG 489 CO 0.00 -0.16 -0.01 -0.09 0.00 0.00 0.00 179.97 179.71 3cem h ARG 490 N -0.45 0.80 -0.68 0.04 2.43 -1.97 -1.43 114.38 113.12 3cem h ARG 490 Ca -0.02 -0.22 0.00 0.00 -0.81 0.00 0.00 59.98 58.92 3cem h ARG 490 Cb 0.19 -0.09 0.00 0.00 -0.42 0.00 0.00 29.97 29.65 3cem h ARG 490 CO 0.04 0.81 0.00 0.91 -1.51 0.00 0.00 179.97 180.22 3cem n TRP 491 N -4.21 0.90 0.11 2.20 7.02 -0.99 -2.24 117.44 120.23 3cem n TRP 491 Ca 0.02 -0.45 0.00 0.00 -1.02 0.00 0.00 57.50 56.05 3cem n TRP 491 Cb 0.31 0.00 0.00 0.00 -2.42 0.00 0.00 31.31 29.20 3cem n TRP 491 CO 0.00 0.00 0.00 -0.11 -2.02 0.00 0.00 177.69 175.56 3cem n LEU 492 N 1.53 -0.96 -0.22 -0.99 7.94 -1.18 -4.83 117.00 118.29 3cem n LEU 492 Ca 0.23 0.41 -0.01 0.00 -1.11 0.00 0.00 56.01 55.53 3cem n LEU 492 Cb 0.59 1.05 0.11 0.00 0.53 0.00 0.00 43.42 45.69 3cem n LEU 492 CO 0.16 -0.46 1.06 -0.07 -1.11 0.00 0.00 177.39 176.97 3cem h LEU 493 N 0.00 0.46 0.00 -1.96 4.07 -1.10 -0.02 115.31 116.76 3cem h LEU 493 Ca 0.00 0.04 -0.05 0.00 0.08 0.00 0.00 57.88 57.95 3cem h LEU 493 Cb 0.00 -0.04 -0.01 0.00 1.08 0.00 0.00 40.66 41.69 3cem h LEU 493 CO 0.00 0.29 -0.43 0.25 -1.08 0.00 0.00 178.44 177.47 3cem h LEU 494 N 0.61 0.00 -1.26 1.67 6.46 -1.38 -3.31 115.31 118.09 3cem h LEU 494 Ca 0.31 -0.36 -0.07 0.00 -0.12 0.00 0.00 57.88 57.64 3cem h LEU 494 Cb 0.26 0.00 -0.01 0.00 -0.73 0.00 0.00 40.66 40.18 3cem h LEU 494 CO -0.22 0.92 -0.33 0.00 -0.62 0.00 0.00 178.44 178.19 3cem n ASN 496 N -3.78 1.32 -0.10 0.00 2.85 -0.02 -4.86 115.26 110.68 3cem n ASN 496 Ca -0.01 -2.99 -0.01 0.00 -0.11 0.00 0.00 54.58 51.46 3cem n ASN 496 Cb 0.42 -0.63 0.24 0.00 1.24 0.00 0.00 39.78 41.05 3cem n ASN 496 CO 0.00 0.00 0.00 1.55 -2.11 0.00 0.00 177.26 176.70 3cem h PRO 497 N 3.69 0.75 -0.92 1.20 0.13 -1.68 -0.96 132.00 134.20 3cem h PRO 497 Ca 0.10 -0.13 0.10 0.00 -0.87 0.00 0.00 66.00 65.20 3cem h PRO 497 Cb 0.83 -0.12 -0.12 0.00 0.13 0.00 0.00 31.00 31.72 3cem h PRO 497 CO 0.57 0.66 -0.50 0.41 -0.23 0.00 0.00 178.00 178.90 3cem n GLY 498 N -0.98 -2.29 0.15 1.56 0.00 -1.26 -1.10 105.19 101.28 3cem n GLY 498 Ca 0.04 1.08 -0.20 0.00 0.00 0.00 0.00 46.02 46.94 3cem n GLY 498 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 3cem h LEU 499 N 0.00 0.69 -0.70 0.99 5.85 -1.67 -2.72 115.31 117.76 3cem h LEU 499 Ca 0.19 -0.83 0.14 0.00 0.84 0.00 0.00 57.88 58.22 3cem h LEU 499 Cb 0.42 -0.22 -0.10 0.00 0.37 0.00 0.00 40.66 41.13 3cem h LEU 499 CO -0.88 1.45 0.18 0.00 -0.34 0.00 0.00 178.44 178.85 3cem h ALA 500 N 0.25 0.89 -0.22 1.25 0.00 -1.05 -1.36 119.26 119.02 3cem h ALA 500 Ca -0.14 0.15 -0.07 0.00 0.00 0.00 0.00 54.91 54.85 3cem h ALA 500 Cb 1.67 0.19 -0.01 0.00 0.00 0.00 0.00 17.79 19.64 3cem h ALA 500 CO 0.18 -0.31 -0.13 1.49 0.00 0.00 0.00 179.25 180.49 3cem h GLU 501 N 0.29 0.48 -0.54 0.00 4.81 -1.06 -1.53 114.58 117.03 3cem h GLU 501 Ca 0.38 -0.22 0.10 0.00 -0.13 0.00 0.00 59.36 59.49 3cem h GLU 501 Cb 0.62 -0.01 -0.08 0.00 0.63 0.00 0.00 28.75 29.91 3cem h GLU 501 CO -0.46 0.77 0.09 1.25 -0.73 0.00 0.00 179.01 179.92 3cem h LEU 502 N 0.18 -0.05 -1.56 1.64 6.46 -1.14 0.45 115.31 121.29 3cem h LEU 502 Ca 0.05 0.11 -0.02 0.00 -0.12 0.00 0.00 57.88 57.90 3cem h LEU 502 Cb 0.63 0.16 -0.02 0.00 -0.73 0.00 0.00 40.66 40.71 3cem h LEU 502 CO 0.04 -0.01 0.11 0.40 -0.62 0.00 0.00 178.44 178.36 3cem h ILE 503 N 0.21 1.12 0.07 4.05 2.04 -1.17 -2.14 117.51 121.69 3cem h ILE 503 Ca 0.28 -0.37 -0.24 0.00 1.00 0.00 0.00 64.86 65.52 3cem h ILE 503 Cb 0.40 0.77 -0.01 0.00 -0.74 0.00 0.00 36.82 37.25 3cem h ILE 503 CO -0.38 0.14 -1.13 0.00 0.00 0.00 0.00 178.15 176.78 3cem h ALA 504 N 1.72 0.21 -0.58 1.87 0.00 0.54 -1.26 119.26 121.76 3cem h ALA 504 Ca 0.10 -0.89 0.02 0.00 0.00 0.00 0.00 54.91 54.14 3cem h ALA 504 Cb 0.09 -0.07 -0.04 0.00 0.00 0.00 0.00 17.79 17.78 3cem h ALA 504 CO -0.01 1.10 0.36 0.93 0.00 0.00 0.00 179.25 181.63 3cem h GLU 505 N 0.04 0.70 0.00 0.00 5.08 0.03 -1.37 114.58 119.07 3cem h GLU 505 Ca -0.08 -0.04 -0.16 0.00 -1.00 0.00 0.00 59.36 58.08 3cem h GLU 505 Cb 1.88 -0.16 -0.03 0.00 0.50 0.00 0.00 28.75 30.94 3cem h GLU 505 CO 0.17 0.46 -1.01 0.87 -1.00 0.00 0.00 179.01 178.51 3cem h LYS 506 N 0.72 0.00 0.00 2.33 1.79 -1.26 -3.41 116.57 116.74 3cem h LYS 506 Ca 0.23 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.70 3cem h LYS 506 Cb -0.01 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.64 3cem h LYS 506 CO -0.09 0.51 0.00 0.44 -1.08 0.00 0.00 179.45 179.23 3cem n ILE 507 N -3.11 0.00 0.00 1.86 -5.35 -0.49 -5.07 119.36 107.20 3cem n ILE 507 Ca -0.04 -0.01 0.00 0.00 -0.27 0.00 0.00 62.75 62.43 3cem n ILE 507 Cb 0.83 1.46 0.00 0.00 -1.74 0.00 0.00 39.64 40.19 3cem n ILE 507 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3cem n GLY 508 N -0.00 -0.15 0.87 3.28 0.00 -0.52 -4.70 105.19 103.97 3cem n GLY 508 Ca 0.00 -1.88 0.08 0.00 0.00 0.00 0.00 46.02 44.22 3cem n GLY 508 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 3cem n GLU 509 N -0.23 2.67 0.23 1.61 0.28 -1.26 -4.21 120.64 119.73 3cem n GLU 509 Ca 0.00 -2.19 0.06 0.00 -0.16 0.00 0.00 57.16 54.87 3cem n GLU 509 Cb 0.00 -1.37 0.53 0.00 1.43 0.00 0.00 31.44 32.03 3cem n GLU 509 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 177.13 176.53 3cem h ASP 510 N 2.84 0.00 0.20 -1.84 3.45 -1.96 -2.79 116.42 116.32 3cem h ASP 510 Ca 0.00 -0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.46 3cem h ASP 510 Cb 0.81 -0.00 0.00 0.00 -0.56 0.00 0.00 39.33 39.58 3cem h ASP 510 CO 0.00 0.15 0.00 0.10 -1.57 0.00 0.00 179.24 177.92 3cem h TYR 511 N 0.00 0.00 -0.34 4.55 -0.00 -1.79 -2.44 116.97 116.95 3cem h TYR 511 Ca -0.00 0.00 -0.16 0.00 -0.00 0.00 0.00 58.73 58.57 3cem h TYR 511 Cb 0.26 0.00 -0.00 0.00 -0.00 0.00 0.00 36.73 36.99 3cem h TYR 511 CO 0.00 0.00 -0.40 0.28 -0.00 0.00 0.00 178.16 178.04 3cem h VAL 512 N 0.00 1.28 0.00 -0.90 2.07 -1.85 -2.92 116.25 113.93 3cem h VAL 512 Ca 0.00 -1.57 0.00 0.00 0.82 0.00 0.00 66.70 65.95 3cem h VAL 512 Cb 0.10 1.49 0.00 0.00 -1.52 0.00 0.00 31.29 31.36 3cem h VAL 512 CO 0.00 0.52 -0.50 0.11 0.02 0.00 0.00 177.57 177.72 3cem h LYS 513 N 0.66 0.00 -2.40 1.57 1.57 -1.70 -3.43 116.57 112.83 3cem h LYS 513 Ca 0.05 0.00 -0.49 0.00 -1.87 0.00 0.00 60.65 58.33 3cem h LYS 513 Cb 0.99 0.00 -0.36 0.00 0.08 0.00 0.00 32.23 32.94 3cem h LYS 513 CO 0.10 0.00 -0.77 0.34 -0.57 0.00 0.00 179.45 178.54 3cem s ASP 514 N -5.46 2.45 0.58 0.86 3.68 -0.95 -5.02 116.67 112.81 3cem s ASP 514 Ca 0.04 -1.74 0.36 0.00 2.13 0.00 0.00 52.55 53.34 3cem s ASP 514 Cb 0.09 -0.04 1.68 0.00 -1.45 0.00 0.00 42.92 43.19 3cem s ASP 514 CO 0.72 -0.32 2.11 0.25 0.13 0.00 0.00 175.17 178.05 3cem h LEU 515 N 7.37 0.00 -2.89 -1.34 5.85 -1.79 -2.20 115.31 120.31 3cem h LEU 515 Ca -0.00 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.72 3cem h LEU 515 Cb 1.01 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 42.04 3cem h LEU 515 CO 0.28 0.02 0.02 0.77 -0.34 0.00 0.00 178.44 179.20 3cem h SER 516 N 0.00 0.00 0.24 1.25 4.64 -1.86 -0.89 113.55 116.93 3cem h SER 516 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3cem h SER 516 Cb 0.35 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.44 3cem h SER 516 CO 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 176.83 175.96 3cem n GLN 517 N -3.13 0.08 0.28 4.77 6.02 -0.83 -2.07 117.38 122.50 3cem n GLN 517 Ca -0.03 0.26 0.12 0.00 -0.01 0.00 0.00 57.00 57.34 3cem n GLN 517 Cb 0.09 -1.50 0.81 0.00 1.02 0.00 0.00 30.24 30.66 3cem n GLN 517 CO 0.00 0.00 0.00 -0.07 -1.01 0.00 0.00 177.06 175.98 3cem h LEU 518 N 0.00 0.00 -1.97 1.08 3.38 -1.40 -2.41 115.31 113.99 3cem h LEU 518 Ca 0.00 0.00 0.11 0.00 0.09 0.00 0.00 57.88 58.08 3cem h LEU 518 Cb 0.12 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.86 3cem h LEU 518 CO 0.00 0.00 0.44 0.71 0.09 0.00 0.00 178.44 179.69 3cem h THR 519 N 0.00 0.36 0.00 0.22 1.35 -1.29 0.55 112.91 114.10 3cem h THR 519 Ca -0.00 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.86 3cem h THR 519 Cb 0.01 0.64 0.00 0.00 -1.73 0.00 0.00 68.15 67.07 3cem h THR 519 CO 0.00 0.00 0.04 0.11 -0.25 0.00 0.00 175.52 175.42 3cem h LYS 520 N 0.00 0.00 0.00 4.72 1.57 -1.69 -2.14 116.57 119.03 3cem h LYS 520 Ca 0.19 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.97 3cem h LYS 520 Cb 1.07 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.38 3cem h LYS 520 CO -0.00 0.00 0.00 1.28 -0.57 0.00 0.00 179.45 180.16 3cem n LEU 521 N -2.83 0.00 0.10 2.94 4.77 0.18 -2.56 117.00 119.60 3cem n LEU 521 Ca -0.02 0.16 0.04 0.00 -0.03 0.00 0.00 56.01 56.15 3cem n LEU 521 Cb 0.10 -0.16 0.46 0.00 -2.33 0.00 0.00 43.42 41.49 3cem n LEU 521 CO 0.16 -0.01 1.05 0.45 -1.33 0.00 0.00 177.39 177.72 3cem h HIS 522 N 0.00 0.32 0.00 -1.77 3.86 -1.58 -2.57 115.15 113.40 3cem h HIS 522 Ca 0.00 -0.01 0.00 0.00 -1.16 0.00 0.00 60.37 59.20 3cem h HIS 522 Cb 0.14 -0.10 0.00 0.00 1.06 0.00 0.00 27.41 28.51 3cem h HIS 522 CO 0.00 0.27 0.00 -1.13 0.86 0.00 0.00 177.93 177.93 3cem n SER 523 N -4.43 0.00 -0.64 2.45 3.41 -1.06 -1.55 113.62 111.80 3cem n SER 523 Ca 0.00 -1.06 0.06 0.00 -0.26 0.00 0.00 58.87 57.61 3cem n SER 523 Cb 0.13 0.00 0.14 0.00 -0.26 0.00 0.00 64.21 64.23 3cem n SER 523 CO 0.00 0.00 0.00 0.49 -0.16 0.00 0.00 175.04 175.37 3cem n PHE 524 N -0.75 0.42 -0.32 7.33 3.01 -0.97 -4.53 117.46 121.65 3cem n PHE 524 Ca 0.08 -0.44 0.27 0.00 1.01 0.00 0.00 57.45 58.38 3cem n PHE 524 Cb 0.04 -0.02 0.59 0.00 -0.01 0.00 0.00 39.48 40.08 3cem n PHE 524 CO 0.00 0.00 0.00 -0.07 1.01 0.00 0.00 176.76 177.70 3cem h LEU 525 N 2.12 0.29 0.02 4.37 3.38 -1.43 -1.39 115.31 122.67 3cem h LEU 525 Ca 0.00 0.06 -0.00 0.00 0.09 0.00 0.00 57.88 58.03 3cem h LEU 525 Cb 0.71 0.01 -0.00 0.00 0.09 0.00 0.00 40.66 41.47 3cem h LEU 525 CO 0.00 0.04 -0.01 1.23 0.09 0.00 0.00 178.44 179.79 3cem h GLY 526 N 0.25 -0.51 -7.23 0.83 0.00 -1.84 -3.45 103.07 91.12 3cem h GLY 526 Ca 0.59 0.22 -0.39 0.00 0.00 0.00 0.00 47.33 47.76 3cem h GLY 526 CO -0.21 -0.19 1.52 1.34 0.00 0.00 0.00 176.54 178.99 3cem n ASP 527 N -2.27 0.77 0.07 0.19 4.64 -0.53 -4.85 116.55 114.57 3cem n ASP 527 Ca -0.00 -0.41 0.18 0.00 -1.38 0.00 0.00 54.79 53.18 3cem n ASP 527 Cb 0.01 -1.15 0.71 0.00 -1.04 0.00 0.00 41.12 39.65 3cem n ASP 527 CO 0.00 0.00 0.00 0.44 -0.82 0.00 0.00 177.20 176.82 3cem h ASP 528 N 14.14 0.00 0.13 1.67 3.32 -1.87 0.17 116.42 133.97 3cem h ASP 528 Ca -0.08 0.00 -0.01 0.00 0.02 0.00 0.00 57.03 56.96 3cem h ASP 528 Cb 1.22 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.77 3cem h ASP 528 CO 1.31 0.00 -0.06 0.58 -1.72 0.00 0.00 179.24 179.35 3cem h VAL 529 N 0.00 1.03 -0.54 -1.35 2.07 -1.96 -1.04 116.25 114.46 3cem h VAL 529 Ca 0.19 -0.67 0.01 0.00 0.82 0.00 0.00 66.70 67.05 3cem h VAL 529 Cb 0.82 1.45 -0.03 0.00 -1.52 0.00 0.00 31.29 32.00 3cem h VAL 529 CO -0.00 0.16 0.35 0.15 0.02 0.00 0.00 177.57 178.24 3cem h PHE 530 N -0.49 0.66 -0.16 1.57 3.57 -1.79 -1.13 116.94 119.17 3cem h PHE 530 Ca -0.02 0.02 0.05 0.00 3.53 0.00 0.00 57.97 61.55 3cem h PHE 530 Cb 0.39 -0.22 -0.01 0.00 2.79 0.00 0.00 35.95 38.90 3cem h PHE 530 CO 0.03 0.40 0.14 -0.07 -2.23 0.00 0.00 178.31 176.58 3cem h LEU 531 N 0.71 0.00 0.00 0.59 3.38 -0.84 0.18 115.31 119.32 3cem h LEU 531 Ca 0.20 0.00 -0.15 0.00 0.09 0.00 0.00 57.88 58.02 3cem h LEU 531 Cb -0.06 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.67 3cem h LEU 531 CO -0.06 0.00 -0.81 0.03 0.09 0.00 0.00 178.44 177.69 3cem h ARG 532 N 0.00 0.00 -0.30 1.13 3.08 -0.53 -3.09 114.38 114.67 3cem h ARG 532 Ca 0.08 0.00 -0.16 0.00 0.07 0.00 0.00 59.98 59.97 3cem h ARG 532 Cb 0.35 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.39 3cem h ARG 532 CO -0.00 0.62 -0.43 0.93 -1.07 0.00 0.00 179.97 180.02 3cem h GLU 533 N 0.00 0.83 -0.12 0.04 5.08 0.23 -1.80 114.58 118.84 3cem h GLU 533 Ca -0.04 -0.48 -0.01 0.00 -1.00 0.00 0.00 59.36 57.83 3cem h GLU 533 Cb 1.55 0.04 -0.00 0.00 0.50 0.00 0.00 28.75 30.84 3cem h GLU 533 CO 0.08 1.12 0.03 1.25 -1.00 0.00 0.00 179.01 180.49 3cem h LEU 534 N 0.60 0.18 -2.05 1.33 5.85 -1.41 -1.16 115.31 118.65 3cem h LEU 534 Ca 0.03 -0.22 0.05 0.00 0.84 0.00 0.00 57.88 58.58 3cem h LEU 534 Cb 1.03 -0.05 -0.01 0.00 0.37 0.00 0.00 40.66 42.00 3cem h LEU 534 CO 0.10 0.36 0.13 0.00 -0.34 0.00 0.00 178.44 178.69 3cem h ALA 535 N 0.83 2.11 0.14 1.25 0.00 -1.60 -2.22 119.26 119.77 3cem h ALA 535 Ca 0.04 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.93 3cem h ALA 535 Cb 0.25 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.05 3cem h ALA 535 CO 0.00 -0.22 -0.07 -0.22 0.00 0.00 0.00 179.25 178.74 3cem h LYS 536 N 0.00 -0.18 -0.76 0.00 1.63 -0.80 -1.51 116.57 114.95 3cem h LYS 536 Ca 0.08 0.01 0.15 0.00 -0.85 0.00 0.00 60.65 60.05 3cem h LYS 536 Cb 0.35 0.04 -0.14 0.00 -0.60 0.00 0.00 32.23 31.88 3cem h LYS 536 CO -0.00 0.26 -0.18 0.28 -3.45 0.00 0.00 179.45 176.36 3cem h VAL 537 N -0.75 0.24 -0.66 2.00 2.07 -1.17 -1.33 116.25 116.65 3cem h VAL 537 Ca -0.02 -0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.49 3cem h VAL 537 Cb 0.53 0.24 -0.03 0.00 -1.52 0.00 0.00 31.29 30.50 3cem h VAL 537 CO 0.03 0.00 0.40 0.50 0.02 0.00 0.00 177.57 178.52 3cem h LYS 538 N 0.00 0.90 0.07 1.57 1.63 -1.34 -1.94 116.57 117.46 3cem h LYS 538 Ca 0.37 -0.08 -0.00 0.00 -0.85 0.00 0.00 60.65 60.09 3cem h LYS 538 Cb 0.57 -0.19 0.00 0.00 -0.60 0.00 0.00 32.23 32.01 3cem h LYS 538 CO -0.78 0.63 -0.03 0.37 -3.45 0.00 0.00 179.45 176.19 3cem h GLN 539 N 0.91 -0.09 -0.67 1.90 5.75 -0.21 -0.69 115.11 122.01 3cem h GLN 539 Ca 0.24 0.01 0.02 0.00 -0.15 0.00 0.00 58.65 58.76 3cem h GLN 539 Cb -0.03 0.02 -0.04 0.00 1.07 0.00 0.00 27.48 28.50 3cem h GLN 539 CO -0.04 0.18 0.43 0.93 -2.65 0.00 0.00 178.83 177.67 3cem h GLU 540 N -0.36 0.83 -0.78 1.69 5.08 -1.06 0.52 114.58 120.49 3cem h GLU 540 Ca -0.01 -0.05 0.02 0.00 -1.00 0.00 0.00 59.36 58.32 3cem h GLU 540 Cb 0.31 -0.19 -0.04 0.00 0.50 0.00 0.00 28.75 29.33 3cem h GLU 540 CO 0.02 0.55 0.51 -0.91 -1.00 0.00 0.00 179.01 178.18 3cem h ASN 541 N 0.86 0.88 -0.02 1.42 -0.26 -1.20 0.22 115.58 117.48 3cem h ASN 541 Ca 0.26 -0.02 -0.13 0.00 -0.56 0.00 0.00 56.30 55.85 3cem h ASN 541 Cb -0.04 -0.21 -0.01 0.00 -1.06 0.00 0.00 38.32 37.00 3cem h ASN 541 CO -0.08 0.62 -0.41 0.11 -1.06 0.00 0.00 177.43 176.62 3cem h LYS 542 N 1.03 0.54 0.34 0.81 1.57 -0.15 -0.85 116.57 119.87 3cem h LYS 542 Ca 0.30 -0.27 -0.02 0.00 -1.87 0.00 0.00 60.65 58.79 3cem h LYS 542 Cb -0.08 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.24 3cem h LYS 542 CO -0.08 0.85 -0.16 -0.07 -0.57 0.00 0.00 179.45 179.42 3cem h LEU 543 N 0.45 -0.38 -0.62 2.94 3.38 -0.59 -1.03 115.31 119.45 3cem h LEU 543 Ca 0.04 -0.13 0.10 0.00 0.09 0.00 0.00 57.88 57.98 3cem h LEU 543 Cb 0.90 0.10 -0.11 0.00 0.09 0.00 0.00 40.66 41.64 3cem h LEU 543 CO 0.08 -0.08 -0.42 0.50 0.09 0.00 0.00 178.44 178.62 3cem h LYS 544 N -0.71 -0.18 0.00 1.13 3.64 -0.49 0.13 116.57 120.08 3cem h LYS 544 Ca -0.05 0.01 -0.03 0.00 -1.27 0.00 0.00 60.65 59.32 3cem h LYS 544 Cb 0.49 0.04 -0.00 0.00 -0.41 0.00 0.00 32.23 32.35 3cem h LYS 544 CO 0.08 -0.12 -0.15 0.35 -2.27 0.00 0.00 179.45 177.34 3cem h PHE 545 N -0.19 0.00 -0.21 1.91 3.57 -1.19 -2.50 116.94 118.33 3cem h PHE 545 Ca 0.20 0.00 -0.18 0.00 3.53 0.00 0.00 57.97 61.52 3cem h PHE 545 Cb 0.56 0.00 -0.00 0.00 2.79 0.00 0.00 35.95 39.30 3cem h PHE 545 CO -0.72 0.15 -0.59 0.77 -2.23 0.00 0.00 178.31 175.69 3cem h SER 546 N 0.00 0.79 -0.01 0.41 0.02 0.37 0.11 113.55 115.24 3cem h SER 546 Ca -0.00 -0.44 0.02 0.00 -0.84 0.00 0.00 61.79 60.53 3cem h SER 546 Cb 0.28 -0.23 -0.04 0.00 0.14 0.00 0.00 62.40 62.55 3cem h SER 546 CO 0.02 1.20 -0.42 1.56 -1.14 0.00 0.00 176.83 178.04 3cem h GLN 547 N 0.53 -0.50 -0.53 3.45 4.20 -0.77 -2.10 115.11 119.38 3cem h GLN 547 Ca 0.00 0.03 0.05 0.00 0.06 0.00 0.00 58.65 58.80 3cem h GLN 547 Cb 1.17 0.11 -0.08 0.00 0.30 0.00 0.00 27.48 28.99 3cem h GLN 547 CO 0.12 -0.34 -0.44 0.35 -0.67 0.00 0.00 178.83 177.85 3cem h PHE 548 N -0.52 -1.39 -0.90 2.96 3.57 -1.48 -2.57 116.94 116.61 3cem h PHE 548 Ca 0.01 0.08 0.19 0.00 3.53 0.00 0.00 57.97 61.79 3cem h PHE 548 Cb 0.57 0.68 -0.07 0.00 2.79 0.00 0.00 35.95 39.91 3cem h PHE 548 CO -0.49 -0.34 0.59 -0.07 -2.23 0.00 0.00 178.31 175.77 3cem h LEU 549 N -0.16 0.46 0.00 0.59 3.38 -0.51 -2.65 115.31 116.42 3cem h LEU 549 Ca 0.09 0.05 -0.15 0.00 0.09 0.00 0.00 57.88 57.95 3cem h LEU 549 Cb 0.39 -0.04 -0.03 0.00 0.09 0.00 0.00 40.66 41.08 3cem h LEU 549 CO -0.59 0.19 -1.43 -0.62 0.09 0.00 0.00 178.44 176.08 3cem n GLU 550 N -4.53 0.62 0.21 1.13 1.02 -0.82 -0.37 120.64 117.90 3cem n GLU 550 Ca 0.19 0.19 0.15 0.00 -0.02 0.00 0.00 57.16 57.66 3cem n GLU 550 Cb 0.66 -1.79 0.69 0.00 -0.02 0.00 0.00 31.44 30.99 3cem n GLU 550 CO 0.00 0.00 0.00 1.79 1.18 0.00 0.00 177.13 180.10 3cem h THR 551 N 0.00 0.00 0.00 2.62 1.35 -1.21 -3.33 112.91 112.34 3cem h THR 551 Ca -0.15 -0.17 -0.08 0.00 -0.55 0.00 0.00 66.41 65.46 3cem h THR 551 Cb 1.52 0.91 -0.01 0.00 -1.73 0.00 0.00 68.15 68.84 3cem h THR 551 CO 0.04 0.00 -1.29 -0.62 -0.25 0.00 0.00 175.52 173.40 3cem n GLU 552 N -2.55 1.73 -4.38 4.72 -0.58 -1.15 -5.00 120.64 113.43 3cem n GLU 552 Ca -0.00 0.01 -0.30 0.00 -0.42 0.00 0.00 57.16 56.45 3cem n GLU 552 Cb 0.15 -1.10 -0.11 0.00 -0.57 0.00 0.00 31.44 29.81 3cem n GLU 552 CO 0.00 0.00 0.00 0.71 -0.48 0.00 0.00 177.13 177.36 3cem s TYR 553 N -2.10 2.67 -0.04 -0.32 1.51 0.51 -5.06 117.35 114.51 3cem s TYR 553 Ca -0.04 -0.19 -0.24 0.00 -1.01 0.00 0.00 57.07 55.59 3cem s TYR 553 Cb 0.01 -1.44 -0.19 0.00 -0.11 0.00 0.00 41.96 40.24 3cem s TYR 553 CO 0.14 0.37 1.04 1.57 -1.11 0.00 0.00 175.55 177.56 3cem h LYS 554 N 3.98 -0.12 0.00 -0.62 2.10 -1.85 -3.39 116.57 116.67 3cem h LYS 554 Ca -0.49 0.01 0.00 0.00 -2.00 0.00 0.00 60.65 58.17 3cem h LYS 554 Cb 1.16 0.03 0.00 0.00 -0.90 0.00 0.00 32.23 32.52 3cem h LYS 554 CO 0.50 0.38 0.00 0.28 -2.00 0.00 0.00 179.45 178.60 3cem n VAL 555 N -4.88 0.00 -3.65 0.07 0.31 -1.26 -4.96 118.33 103.96 3cem n VAL 555 Ca -0.08 0.00 -0.39 0.00 -0.01 0.00 0.00 64.34 63.86 3cem n VAL 555 Cb 0.28 0.00 -0.12 0.00 -0.91 0.00 0.00 33.84 33.09 3cem n VAL 555 CO 0.00 0.00 0.00 -0.75 -1.32 0.00 0.00 176.83 174.76 3cem s LYS 556 N 0.00 3.18 -0.32 5.55 2.20 -1.26 -4.80 119.74 124.29 3cem s LYS 556 Ca 0.00 -0.82 -0.27 0.00 -0.36 0.00 0.00 55.97 54.51 3cem s LYS 556 Cb 0.00 -3.59 0.01 0.00 -1.51 0.00 0.00 37.83 32.74 3cem s LYS 556 CO 0.00 -0.49 0.98 0.42 -0.36 0.00 0.00 175.35 175.90 3cem s ILE 557 N 1.59 4.59 -0.27 5.43 -1.09 -1.26 -4.98 121.20 125.20 3cem s ILE 557 Ca 0.04 1.52 -0.28 0.00 -2.23 0.00 0.00 60.65 59.70 3cem s ILE 557 Cb -0.18 -4.34 -0.05 0.00 -1.58 0.00 0.00 42.46 36.31 3cem s ILE 557 CO 0.06 -0.44 2.27 -3.20 -1.23 0.00 0.00 174.94 172.40 3cem n ASN 558 N 6.70 3.07 0.29 3.58 2.85 -1.26 -4.88 115.26 125.60 3cem n ASN 558 Ca 0.09 0.06 0.18 0.00 -0.11 0.00 0.00 54.58 54.80 3cem n ASN 558 Cb 0.47 -1.56 0.84 0.00 1.24 0.00 0.00 39.78 40.77 3cem n ASN 558 CO 0.00 0.00 0.00 -0.65 -2.11 0.00 0.00 177.26 174.50 3cem h PRO 559 N 16.00 0.00 -0.15 1.20 0.11 -1.98 -2.45 132.00 144.73 3cem h PRO 559 Ca -0.38 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.73 3cem h PRO 559 Cb 1.25 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.36 3cem h PRO 559 CO 1.00 0.04 0.00 -1.13 -0.21 0.00 0.00 178.00 177.69 3cem n SER 560 N -3.21 1.92 -4.79 -2.05 3.41 -1.26 -4.92 113.62 102.72 3cem n SER 560 Ca -0.01 -1.71 -0.35 0.00 -0.26 0.00 0.00 58.87 56.54 3cem n SER 560 Cb 0.23 -0.09 -0.05 0.00 -0.26 0.00 0.00 64.21 64.04 3cem n SER 560 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 3cem s SER 561 N -1.69 6.80 0.00 4.04 1.04 -0.92 -4.86 113.70 118.11 3cem s SER 561 Ca 0.34 1.91 -0.30 0.00 0.48 0.00 0.00 55.95 58.38 3cem s SER 561 Cb 0.19 -2.57 -0.08 0.00 0.10 0.00 0.00 66.02 63.66 3cem s SER 561 CO 0.29 -0.45 2.00 -0.32 0.98 0.00 0.00 173.24 175.73 3cem s MET 562 N -2.72 4.01 -0.47 4.02 -2.45 -0.90 -4.71 119.30 116.08 3cem s MET 562 Ca 0.59 2.54 -0.29 0.00 -1.25 0.00 0.00 55.69 57.29 3cem s MET 562 Cb -0.18 -4.19 0.02 0.00 1.25 0.00 0.00 34.83 31.73 3cem s MET 562 CO 0.22 -1.11 1.34 -0.06 1.05 0.00 0.00 175.02 176.46 3cem s PHE 563 N 4.97 2.48 -0.25 4.11 0.40 -1.26 -0.75 117.98 127.67 3cem s PHE 563 Ca 0.90 0.62 -0.06 0.00 -0.60 0.00 0.00 56.93 57.79 3cem s PHE 563 Cb -0.41 -4.38 -0.01 0.00 0.51 0.00 0.00 43.02 38.73 3cem s PHE 563 CO 0.41 -1.79 0.04 0.34 0.70 0.00 0.00 175.22 174.91 3cem s ASP 564 N 3.66 4.89 -0.08 1.36 2.15 0.42 -0.83 116.67 128.25 3cem s ASP 564 Ca 0.55 -0.40 0.00 0.00 0.43 0.00 0.00 52.55 53.13 3cem s ASP 564 Cb -0.11 -1.86 0.02 0.00 -0.30 0.00 0.00 42.92 40.67 3cem s ASP 564 CO 0.30 -0.07 -0.05 -0.69 -0.17 0.00 0.00 175.17 174.49 3cem s VAL 565 N 1.54 0.72 -0.27 1.11 1.01 -0.25 0.78 120.40 125.04 3cem s VAL 565 Ca 0.05 -0.15 0.02 0.00 0.00 0.00 0.00 61.98 61.90 3cem s VAL 565 Cb -0.15 -0.76 0.07 0.00 0.00 0.00 0.00 36.38 35.53 3cem s VAL 565 CO 0.01 0.30 -0.05 -1.58 0.00 0.00 0.00 175.10 173.78 3cem s GLN 566 N 1.42 1.84 -0.15 2.72 0.74 0.66 -1.30 119.66 125.59 3cem s GLN 566 Ca -0.02 -1.34 -0.00 0.00 0.05 0.00 0.00 55.36 54.05 3cem s GLN 566 Cb -0.13 -2.83 0.03 0.00 1.10 0.00 0.00 33.01 31.18 3cem s GLN 566 CO -0.03 -0.67 -0.09 0.14 -0.55 0.00 0.00 175.29 174.09 3cem s VAL 567 N 1.17 1.25 0.00 1.34 -7.23 -1.26 -1.17 120.40 114.50 3cem s VAL 567 Ca -0.03 -0.56 0.00 0.00 -1.81 0.00 0.00 61.98 59.58 3cem s VAL 567 Cb -0.19 -1.30 0.00 0.00 0.56 0.00 0.00 36.38 35.45 3cem s VAL 567 CO -0.07 0.29 0.00 2.29 -0.31 0.00 0.00 175.10 177.30 3cem n LYS 568 N 4.85 0.00 -1.69 4.82 2.85 -0.75 -4.99 118.16 123.25 3cem n LYS 568 Ca -0.14 0.00 -0.40 0.00 -1.05 0.00 0.00 58.31 56.72 3cem n LYS 568 Cb 0.49 0.00 0.02 0.00 -0.65 0.00 0.00 35.03 34.89 3cem n LYS 568 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 177.40 177.89 3cem n ARG 569 N -0.14 1.70 -2.42 -1.58 5.12 -1.26 -3.97 116.66 114.11 3cem n ARG 569 Ca 0.00 0.61 -0.43 0.00 -1.93 0.00 0.00 57.85 56.11 3cem n ARG 569 Cb 0.00 -2.35 -0.02 0.00 -1.16 0.00 0.00 32.46 28.92 3cem n ARG 569 CO 0.00 0.00 0.00 0.42 -1.93 0.00 0.00 177.63 176.12 3cem s ILE 570 N -1.26 4.26 0.36 0.55 -1.09 -0.48 -4.91 121.20 118.63 3cem s ILE 570 Ca 0.65 1.53 0.05 0.00 -2.23 0.00 0.00 60.65 60.65 3cem s ILE 570 Cb -0.49 -3.99 -0.03 0.00 -1.58 0.00 0.00 42.46 36.38 3cem s ILE 570 CO 0.55 -0.12 0.21 -1.00 -1.23 0.00 0.00 174.94 173.35 3cem s HIS 571 N 3.36 1.73 -0.13 3.97 3.76 -1.26 -4.67 115.29 122.06 3cem s HIS 571 Ca 0.55 -1.49 -0.12 0.00 -0.15 0.00 0.00 55.06 53.86 3cem s HIS 571 Cb -0.22 -0.90 -0.25 0.00 1.11 0.00 0.00 32.58 32.32 3cem s HIS 571 CO 0.16 -0.61 0.40 0.93 -0.85 0.00 0.00 174.74 174.77 3cem h GLU 572 N 2.02 0.22 -0.28 1.40 5.08 -1.97 -3.36 114.58 117.69 3cem h GLU 572 Ca -0.30 -0.38 0.08 0.00 -1.00 0.00 0.00 59.36 57.76 3cem h GLU 572 Cb 1.25 0.14 -0.01 0.00 0.50 0.00 0.00 28.75 30.63 3cem h GLU 572 CO 0.46 1.18 0.31 0.10 -1.00 0.00 0.00 179.01 180.06 3cem h TYR 573 N -0.21 0.00 0.00 4.33 -0.00 -1.97 -1.20 116.97 117.92 3cem h TYR 573 Ca -0.38 0.00 -0.01 0.00 0.00 0.00 0.00 58.73 58.34 3cem h TYR 573 Cb 1.85 0.00 -0.00 0.00 0.00 0.00 0.00 36.73 38.57 3cem h TYR 573 CO 0.09 0.00 -1.11 1.63 -0.00 0.00 0.00 178.16 178.77 3cem n LYS 574 N -3.78 0.61 -3.48 0.10 5.02 -1.26 -2.94 118.16 112.43 3cem n LYS 574 Ca 0.04 0.11 -0.21 0.00 -2.02 0.00 0.00 58.31 56.23 3cem n LYS 574 Cb 0.46 -1.80 0.07 0.00 -0.02 0.00 0.00 35.03 33.73 3cem n LYS 574 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 3cem n ARG 575 N -2.67 -7.17 -0.39 1.97 1.74 -0.46 -3.74 116.66 105.95 3cem n ARG 575 Ca -0.01 0.76 0.31 0.00 -0.77 0.00 0.00 57.85 58.13 3cem n ARG 575 Cb 0.58 -5.58 0.60 0.00 -1.02 0.00 0.00 32.46 27.03 3cem n ARG 575 CO 0.00 0.00 0.00 1.96 -1.52 0.00 0.00 177.63 178.07 3cem h GLN 576 N -2.41 0.21 -0.08 5.56 7.50 -1.85 -1.69 115.11 122.36 3cem h GLN 576 Ca -0.52 -0.01 0.04 0.00 0.50 0.00 0.00 58.65 58.66 3cem h GLN 576 Cb 1.33 -0.05 -0.06 0.00 0.05 0.00 0.00 27.48 28.76 3cem h GLN 576 CO 0.50 0.14 -0.33 -0.07 -1.50 0.00 0.00 178.83 177.57 3cem h LEU 577 N 0.21 -1.02 -0.70 1.46 3.38 -1.91 -1.47 115.31 115.26 3cem h LEU 577 Ca 0.71 0.14 0.14 0.00 0.09 0.00 0.00 57.88 58.96 3cem h LEU 577 Cb 2.10 0.42 -0.10 0.00 0.09 0.00 0.00 40.66 43.17 3cem h LEU 577 CO -0.33 -0.38 0.21 0.25 0.09 0.00 0.00 178.44 178.28 3cem h LEU 578 N -0.44 0.11 -0.94 1.67 5.85 -1.70 0.12 115.31 119.98 3cem h LEU 578 Ca 0.08 0.12 0.03 0.00 0.84 0.00 0.00 57.88 58.96 3cem h LEU 578 Cb 0.56 0.14 -0.06 0.00 0.37 0.00 0.00 40.66 41.68 3cem h LEU 578 CO -0.32 0.03 0.61 -1.13 -0.34 0.00 0.00 178.44 177.29 3cem h ASN 579 N 0.33 1.02 -0.33 1.25 -0.00 -1.25 -1.97 115.58 114.63 3cem h ASN 579 Ca 0.39 -0.01 -0.06 0.00 -0.00 0.00 0.00 56.30 56.61 3cem h ASN 579 Cb 0.61 -0.23 -0.01 0.00 -0.00 0.00 0.00 38.32 38.68 3cem h ASN 579 CO -0.44 0.70 -0.04 0.00 -0.00 0.00 0.00 177.43 177.65 3cem h LEU 581 N 0.41 0.47 -0.26 0.00 3.38 -0.56 -1.20 115.31 117.55 3cem h LEU 581 Ca 0.09 0.02 -0.17 0.00 0.09 0.00 0.00 57.88 57.91 3cem h LEU 581 Cb 0.52 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 41.20 3cem h LEU 581 CO 0.03 0.25 -0.50 -0.74 0.09 0.00 0.00 178.44 177.57 3cem h HIS 582 N 0.51 1.01 -0.71 1.13 2.76 -0.67 -2.05 115.15 117.14 3cem h HIS 582 Ca 0.38 -0.36 0.03 0.00 -2.20 0.00 0.00 60.37 58.22 3cem h HIS 582 Cb 0.75 -0.19 -0.04 0.00 1.55 0.00 0.00 27.41 29.48 3cem h HIS 582 CO -0.00 1.17 0.45 0.28 -1.30 0.00 0.00 177.93 178.53 3cem h VAL 583 N 0.56 1.10 -0.45 5.26 2.07 0.28 0.24 116.25 125.31 3cem h VAL 583 Ca 0.01 -0.30 -0.09 0.00 0.82 0.00 0.00 66.70 67.15 3cem h VAL 583 Cb 1.11 0.15 -0.02 0.00 -1.52 0.00 0.00 31.29 31.02 3cem h VAL 583 CO 0.11 0.16 -0.05 0.40 0.02 0.00 0.00 177.57 178.21 3cem h ILE 584 N 0.87 1.27 -0.87 4.57 2.04 -1.32 -1.27 117.51 122.81 3cem h ILE 584 Ca 0.28 -1.14 0.09 0.00 1.00 0.00 0.00 64.86 65.10 3cem h ILE 584 Cb 0.02 1.09 -0.07 0.00 -0.74 0.00 0.00 36.82 37.11 3cem h ILE 584 CO -0.11 0.39 0.52 0.74 0.00 0.00 0.00 178.15 179.69 3cem h THR 585 N 0.67 0.95 -0.44 -0.27 2.02 -0.61 0.31 112.91 115.54 3cem h THR 585 Ca 0.12 -0.30 -0.07 0.00 0.77 0.00 0.00 66.41 66.93 3cem h THR 585 Cb 0.57 -0.01 -0.02 0.00 -1.74 0.00 0.00 68.15 66.96 3cem h THR 585 CO 0.03 0.16 -0.01 0.24 0.37 0.00 0.00 175.52 176.31 3cem h MET 586 N 0.88 0.78 -0.32 6.66 2.86 -0.23 -2.56 114.93 123.01 3cem h MET 586 Ca 0.41 -0.25 -0.01 0.00 -2.06 0.00 0.00 59.70 57.78 3cem h MET 586 Cb 0.33 -0.07 -0.01 0.00 0.06 0.00 0.00 31.60 31.91 3cem h MET 586 CO -0.23 0.85 0.15 -0.92 1.06 0.00 0.00 176.91 177.82 3cem h TYR 587 N 0.62 0.46 0.00 -0.22 3.20 0.13 -2.02 116.97 119.14 3cem h TYR 587 Ca 0.12 -0.02 -0.01 0.00 3.14 0.00 0.00 58.73 61.96 3cem h TYR 587 Cb 0.51 -0.14 -0.00 0.00 1.54 0.00 0.00 36.73 38.63 3cem h TYR 587 CO 0.04 0.41 -0.03 -0.91 -1.64 0.00 0.00 178.16 176.03 3cem h ASN 588 N 0.38 0.00 0.65 -2.11 2.35 -0.42 -1.49 115.58 114.94 3cem h ASN 588 Ca 0.11 0.00 -0.27 0.00 -0.55 0.00 0.00 56.30 55.59 3cem h ASN 588 Cb 0.13 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.49 3cem h ASN 588 CO -0.01 0.03 -1.30 0.03 -1.65 0.00 0.00 177.43 174.53 3cem h ARG 589 N 0.00 0.19 -0.19 0.81 3.08 -0.96 -3.17 114.38 114.14 3cem h ARG 589 Ca -0.00 -0.33 -0.15 0.00 0.07 0.00 0.00 59.98 59.57 3cem h ARG 589 Cb 0.12 0.12 -0.01 0.00 0.08 0.00 0.00 29.97 30.28 3cem h ARG 589 CO 0.00 1.10 -0.51 0.82 -1.07 0.00 0.00 179.97 180.32 3cem h ILE 590 N 0.05 1.32 0.56 2.04 2.04 -0.61 -3.04 117.51 119.87 3cem h ILE 590 Ca -0.15 -1.74 -0.03 0.00 1.00 0.00 0.00 64.86 63.94 3cem h ILE 590 Cb 1.95 1.73 0.01 0.00 -0.74 0.00 0.00 36.82 39.76 3cem h ILE 590 CO 0.17 0.54 -0.27 0.11 0.00 0.00 0.00 178.15 178.70 3cem h LYS 591 N 0.41 -0.72 0.00 2.37 1.79 -1.53 -2.34 116.57 116.56 3cem h LYS 591 Ca 0.02 0.05 0.00 0.00 -2.18 0.00 0.00 60.65 58.53 3cem h LYS 591 Cb 1.04 0.16 0.00 0.00 -1.58 0.00 0.00 32.23 31.85 3cem h LYS 591 CO 0.09 -0.41 0.00 1.17 -1.08 0.00 0.00 179.45 179.22 3cem n LYS 592 N -5.33 0.03 -2.90 3.15 4.81 -1.20 -3.79 118.16 112.94 3cem n LYS 592 Ca -0.11 0.33 -0.13 0.00 -0.87 0.00 0.00 58.31 57.53 3cem n LYS 592 Cb 0.33 -1.50 0.04 0.00 0.02 0.00 0.00 35.03 33.92 3cem n LYS 592 CO 0.00 0.00 0.00 -3.47 1.17 0.00 0.00 177.40 175.10 3cem n ASP 593 N -1.43 -1.34 0.00 3.14 -0.08 -1.12 -4.99 116.55 110.73 3cem n ASP 593 Ca 0.02 -3.38 0.00 0.00 -1.51 0.00 0.00 54.79 49.92 3cem n ASP 593 Cb 0.07 1.01 0.00 0.00 2.34 0.00 0.00 41.12 44.54 3cem n ASP 593 CO 0.00 0.00 0.00 -2.65 0.12 0.00 0.00 177.20 174.67 3cem n PRO 594 N 0.59 0.00 -0.00 -0.67 -0.02 -0.89 -0.51 135.00 133.49 3cem n PRO 594 Ca 0.13 0.20 0.00 0.00 -2.02 0.00 0.00 63.50 61.81 3cem n PRO 594 Cb 0.67 -1.56 -0.00 0.00 -0.02 0.00 0.00 33.50 32.59 3cem n PRO 594 CO 0.00 0.00 0.00 1.17 1.98 0.00 0.00 175.50 178.65 3cem n LYS 595 N -1.14 1.64 -1.22 -0.52 3.00 -1.26 -5.04 118.16 113.62 3cem n LYS 595 Ca 0.00 -0.00 -0.33 0.00 -0.00 0.00 0.00 58.31 57.98 3cem n LYS 595 Cb 0.06 -1.00 0.11 0.00 0.00 0.00 0.00 35.03 34.20 3cem n LYS 595 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.40 177.61 3cem s LYS 596 N -2.00 1.88 0.10 1.64 2.20 0.33 -4.95 119.74 118.95 3cem s LYS 596 Ca -0.00 1.59 -0.30 0.00 -0.36 0.00 0.00 55.97 56.90 3cem s LYS 596 Cb 0.00 -1.82 -0.06 0.00 -1.51 0.00 0.00 37.83 34.44 3cem s LYS 596 CO 0.00 -2.00 1.16 -1.17 -0.36 0.00 0.00 175.35 172.99 3cem s LEU 597 N -5.65 4.41 -0.06 5.43 2.96 -1.26 -5.02 118.68 119.48 3cem s LEU 597 Ca 0.70 2.04 0.01 0.00 -0.22 0.00 0.00 54.13 56.66 3cem s LEU 597 Cb -0.25 -3.59 0.02 0.00 0.50 0.00 0.00 46.19 42.87 3cem s LEU 597 CO 0.50 -0.38 -0.06 0.12 -1.32 0.00 0.00 176.35 175.21 3cem s PHE 598 N 0.56 1.03 -0.38 5.38 2.19 -1.26 -5.10 117.98 120.40 3cem s PHE 598 Ca 0.55 -0.37 -0.28 0.00 0.33 0.00 0.00 56.93 57.16 3cem s PHE 598 Cb -0.29 -0.88 0.02 0.00 -1.31 0.00 0.00 43.02 40.56 3cem s PHE 598 CO 0.32 -0.28 1.06 0.08 1.83 0.00 0.00 175.22 178.23 3cem s VAL 599 N 1.13 4.43 0.53 3.12 1.01 -1.26 -5.00 120.40 124.36 3cem s VAL 599 Ca -0.07 1.46 -0.22 0.00 0.00 0.00 0.00 61.98 63.15 3cem s VAL 599 Cb -0.14 -4.46 -0.05 0.00 0.00 0.00 0.00 36.38 31.72 3cem s VAL 599 CO -0.01 -0.67 1.33 -2.16 0.00 0.00 0.00 175.10 173.59 3cem s PRO 600 N 3.88 3.25 -0.01 2.72 0.04 -1.26 -4.94 135.00 138.68 3cem s PRO 600 Ca 0.45 2.16 0.03 0.00 0.04 0.00 0.00 61.00 63.68 3cem s PRO 600 Cb -0.10 -2.29 -0.01 0.00 0.04 0.00 0.00 34.50 32.14 3cem s PRO 600 CO 0.21 -1.08 -0.10 1.03 0.04 0.00 0.00 177.00 177.10 3cem s ARG 601 N -2.86 0.83 -0.32 4.56 0.52 -0.87 -2.11 118.95 118.71 3cem s ARG 601 Ca 0.70 -0.36 -0.11 0.00 -0.52 0.00 0.00 55.73 55.44 3cem s ARG 601 Cb -0.39 -0.80 -0.02 0.00 0.52 0.00 0.00 34.95 34.27 3cem s ARG 601 CO 0.46 0.21 0.18 0.99 0.02 0.00 0.00 175.30 177.16 3cem s THR 602 N -0.22 4.88 -0.34 0.02 2.01 0.07 -2.10 115.64 119.97 3cem s THR 602 Ca 0.04 -0.29 -0.15 0.00 0.31 0.00 0.00 61.69 61.60 3cem s THR 602 Cb -0.04 -3.47 -0.01 0.00 0.01 0.00 0.00 72.50 68.98 3cem s THR 602 CO -0.00 0.07 0.35 -0.69 -0.69 0.00 0.00 174.62 173.65 3cem s VAL 603 N 1.66 5.18 -0.19 3.82 1.01 0.37 -0.43 120.40 131.82 3cem s VAL 603 Ca 0.05 0.01 -0.04 0.00 0.00 0.00 0.00 61.98 62.01 3cem s VAL 603 Cb -0.17 -3.81 -0.02 0.00 0.00 0.00 0.00 36.38 32.38 3cem s VAL 603 CO 0.08 -0.09 -0.03 -0.63 0.00 0.00 0.00 175.10 174.44 3cem s ILE 604 N 1.98 3.73 -0.05 2.22 1.01 0.23 -0.67 121.20 129.66 3cem s ILE 604 Ca 0.11 -0.39 0.01 0.00 0.00 0.00 0.00 60.65 60.38 3cem s ILE 604 Cb -0.17 -2.67 0.02 0.00 0.01 0.00 0.00 42.46 39.65 3cem s ILE 604 CO 0.12 0.44 -0.05 -0.63 0.00 0.00 0.00 174.94 174.82 3cem s ILE 605 N 0.99 0.58 0.01 2.92 1.01 -0.88 -0.25 121.20 125.58 3cem s ILE 605 Ca 0.01 -0.13 -0.18 0.00 0.00 0.00 0.00 60.65 60.35 3cem s ILE 605 Cb -0.14 -0.61 0.03 0.00 0.01 0.00 0.00 42.46 41.75 3cem s ILE 605 CO 0.01 0.24 0.40 -0.83 0.00 0.00 0.00 174.94 174.76 3cem s GLY 606 N 1.03 -0.25 0.00 6.18 0.00 -0.32 -0.95 107.32 113.01 3cem s GLY 606 Ca -0.09 0.41 0.00 0.00 0.00 0.00 0.00 44.72 45.04 3cem s GLY 606 CO -0.00 0.16 0.00 0.61 0.00 0.00 0.00 173.10 173.86 3cem n GLY 607 N 0.83 3.05 3.86 0.20 0.00 -1.25 -1.81 105.19 110.07 3cem n GLY 607 Ca -0.20 -1.10 -0.35 0.00 0.00 0.00 0.00 46.02 44.38 3cem n GLY 607 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3cem s LYS 608 N -2.14 3.80 -0.14 1.61 1.02 -1.26 -4.64 119.74 117.98 3cem s LYS 608 Ca 0.00 0.23 -0.07 0.00 0.02 0.00 0.00 55.97 56.14 3cem s LYS 608 Cb 0.00 -3.02 -0.04 0.00 -0.52 0.00 0.00 37.83 34.25 3cem s LYS 608 CO 0.00 0.57 0.12 0.00 -0.92 0.00 0.00 175.35 175.13 3cem s ALA 609 N -1.36 3.77 0.32 5.17 0.00 -1.26 -1.38 121.76 127.01 3cem s ALA 609 Ca 0.32 -0.67 -0.27 0.00 0.00 0.00 0.00 51.96 51.34 3cem s ALA 609 Cb -0.14 -1.98 -0.13 0.00 0.00 0.00 0.00 23.12 20.86 3cem s ALA 609 CO 0.17 0.49 0.97 0.00 0.00 0.00 0.00 175.76 177.39 3cem n ALA 610 N 2.43 -0.28 0.04 0.00 0.00 -1.26 -4.88 120.51 116.55 3cem n ALA 610 Ca -0.19 0.35 0.02 0.00 0.00 0.00 0.00 53.44 53.63 3cem n ALA 610 Cb 0.54 -2.01 0.37 0.00 0.00 0.00 0.00 19.45 18.36 3cem n ALA 610 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.50 176.15 3cem h PRO 611 N 1.83 0.45 -0.26 0.00 0.11 -1.98 -2.02 132.00 130.12 3cem h PRO 611 Ca -0.40 -0.07 0.00 0.00 0.11 0.00 0.00 66.00 65.64 3cem h PRO 611 Cb 1.34 -0.08 0.00 0.00 0.11 0.00 0.00 31.00 32.38 3cem h PRO 611 CO 0.59 0.43 0.00 0.41 -0.21 0.00 0.00 178.00 179.22 3cem n GLY 612 N -1.11 0.17 3.38 -0.55 0.00 -1.26 -4.81 105.19 101.00 3cem n GLY 612 Ca 0.01 -0.24 -0.45 0.00 0.00 0.00 0.00 46.02 45.33 3cem n GLY 612 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 3cem s TYR 613 N -1.69 3.71 0.19 1.61 6.14 -0.76 -4.92 117.35 121.64 3cem s TYR 613 Ca 0.15 -2.04 -0.15 0.00 0.64 0.00 0.00 57.07 55.67 3cem s TYR 613 Cb 0.08 -3.99 0.18 0.00 0.42 0.00 0.00 41.96 38.66 3cem s TYR 613 CO 0.10 -1.14 1.64 1.25 0.64 0.00 0.00 175.55 178.03 3cem h HIS 614 N 7.68 -0.34 -0.59 4.97 -0.00 -1.87 -1.78 115.15 123.22 3cem h HIS 614 Ca 0.16 0.05 -0.07 0.00 -0.00 0.00 0.00 60.37 60.51 3cem h HIS 614 Cb 0.98 0.23 -0.02 0.00 -0.00 0.00 0.00 27.41 28.60 3cem h HIS 614 CO 1.01 -0.25 0.10 1.98 -0.00 0.00 0.00 177.93 180.77 3cem h MET 615 N -0.02 0.97 -0.68 5.26 1.85 -1.98 -1.74 114.93 118.59 3cem h MET 615 Ca 0.26 -0.26 0.02 0.00 -0.61 0.00 0.00 59.70 59.12 3cem h MET 615 Cb 0.42 -0.11 -0.04 0.00 0.43 0.00 0.00 31.60 32.29 3cem h MET 615 CO -0.57 0.92 0.43 0.00 -0.40 0.00 0.00 176.91 177.29 3cem h ALA 616 N 1.01 0.89 -0.64 0.39 0.00 -1.80 0.52 119.26 119.63 3cem h ALA 616 Ca 0.18 -0.03 -0.04 0.00 0.00 0.00 0.00 54.91 55.03 3cem h ALA 616 Cb 0.42 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 17.95 3cem h ALA 616 CO 0.01 0.22 0.25 0.87 0.00 0.00 0.00 179.25 180.60 3cem h LYS 617 N 0.86 0.93 -0.57 0.00 1.57 -1.02 -1.13 116.57 117.21 3cem h LYS 617 Ca 0.27 -0.15 -0.08 0.00 -1.87 0.00 0.00 60.65 58.82 3cem h LYS 617 Cb -0.01 -0.16 -0.02 0.00 0.08 0.00 0.00 32.23 32.12 3cem h LYS 617 CO -0.09 0.76 0.04 0.52 -0.57 0.00 0.00 179.45 180.11 3cem h MET 618 N 0.92 0.98 -0.71 3.15 2.86 -0.65 -1.29 114.93 120.19 3cem h MET 618 Ca 0.22 -0.29 0.04 0.00 -2.06 0.00 0.00 59.70 57.61 3cem h MET 618 Cb 0.18 -0.10 -0.05 0.00 0.06 0.00 0.00 31.60 31.69 3cem h MET 618 CO -0.02 0.96 0.43 0.82 1.06 0.00 0.00 176.91 180.16 3cem h ILE 619 N 0.87 1.05 -0.31 -1.22 2.04 -0.67 0.49 117.51 119.76 3cem h ILE 619 Ca 0.17 -0.28 -0.00 0.00 1.00 0.00 0.00 64.86 65.75 3cem h ILE 619 Cb 0.49 0.16 -0.02 0.00 -0.74 0.00 0.00 36.82 36.71 3cem h ILE 619 CO 0.02 0.15 0.19 0.40 0.00 0.00 0.00 178.15 178.91 3cem h ILE 620 N 0.82 1.10 -0.45 -0.67 2.04 -0.97 -1.37 117.51 118.00 3cem h ILE 620 Ca 0.30 -0.23 0.04 0.00 1.00 0.00 0.00 64.86 65.96 3cem h ILE 620 Cb 0.09 0.70 -0.04 0.00 -0.74 0.00 0.00 36.82 36.84 3cem h ILE 620 CO -0.14 0.10 0.23 0.50 0.00 0.00 0.00 178.15 178.84 3cem h LYS 621 N 0.40 0.45 -0.25 2.37 3.11 -0.29 -1.41 116.57 120.95 3cem h LYS 621 Ca 0.11 -0.03 0.06 0.00 -2.81 0.00 0.00 60.65 57.98 3cem h LYS 621 Cb -0.00 -0.10 -0.06 0.00 -1.00 0.00 0.00 32.23 31.07 3cem h LYS 621 CO -0.02 0.30 -0.15 1.25 -2.81 0.00 0.00 179.45 178.01 3cem h LEU 622 N 0.46 -0.50 -0.48 5.20 5.85 0.16 -0.51 115.31 125.49 3cem h LEU 622 Ca 0.20 0.11 0.00 0.00 0.84 0.00 0.00 57.88 59.03 3cem h LEU 622 Cb 0.09 0.26 -0.02 0.00 0.37 0.00 0.00 40.66 41.36 3cem h LEU 622 CO -0.13 -0.19 0.31 0.40 -0.34 0.00 0.00 178.44 178.49 3cem h ILE 623 N -0.13 1.13 -0.17 4.05 2.04 -0.62 0.42 117.51 124.23 3cem h ILE 623 Ca 0.14 -0.25 -0.10 0.00 1.00 0.00 0.00 64.86 65.65 3cem h ILE 623 Cb 0.34 0.44 -0.01 0.00 -0.74 0.00 0.00 36.82 36.85 3cem h ILE 623 CO -0.33 0.13 -0.32 0.71 0.00 0.00 0.00 178.15 178.33 3cem h THR 624 N 0.65 1.28 0.28 -0.27 1.35 -1.05 0.15 112.91 115.30 3cem h THR 624 Ca 0.18 -1.34 -0.01 0.00 -0.55 0.00 0.00 66.41 64.68 3cem h THR 624 Cb -0.06 1.51 0.00 0.00 -1.73 0.00 0.00 68.15 67.87 3cem h THR 624 CO -0.04 0.41 -0.14 0.28 -0.25 0.00 0.00 175.52 175.79 3cem h SER 625 N 0.29 -0.32 -0.27 5.36 0.02 -0.47 -1.47 113.55 116.68 3cem h SER 625 Ca 0.04 -0.07 0.06 0.00 -0.84 0.00 0.00 61.79 60.97 3cem h SER 625 Cb 0.71 0.08 -0.05 0.00 0.14 0.00 0.00 62.40 63.28 3cem h SER 625 CO 0.05 -0.13 -0.08 0.58 -1.14 0.00 0.00 176.83 176.11 3cem h VAL 626 N -0.50 0.69 -0.65 2.27 2.07 -0.85 -2.22 116.25 117.06 3cem h VAL 626 Ca -0.04 0.00 0.12 0.00 0.82 0.00 0.00 66.70 67.60 3cem h VAL 626 Cb 0.37 0.69 -0.08 0.00 -1.52 0.00 0.00 31.29 30.75 3cem h VAL 626 CO 0.06 0.00 0.21 0.00 0.02 0.00 0.00 177.57 177.86 3cem h ALA 627 N 1.23 0.84 -0.97 1.67 0.00 -0.58 -1.96 119.26 119.49 3cem h ALA 627 Ca 0.13 0.11 0.01 0.00 0.00 0.00 0.00 54.91 55.17 3cem h ALA 627 Cb 0.23 0.11 -0.05 0.00 0.00 0.00 0.00 17.79 18.08 3cem h ALA 627 CO -0.29 -0.24 0.64 -0.44 0.00 0.00 0.00 179.25 178.91 3cem h ASP 628 N 0.36 1.10 0.12 0.00 5.19 -0.65 0.94 116.42 123.48 3cem h ASP 628 Ca 0.34 -0.03 -0.01 0.00 -0.62 0.00 0.00 57.03 56.72 3cem h ASP 628 Cb 0.49 -0.27 0.00 0.00 0.18 0.00 0.00 39.33 39.73 3cem h ASP 628 CO -0.37 0.79 -0.06 0.58 -3.12 0.00 0.00 179.24 177.06 3cem h VAL 629 N 1.30 1.06 -0.64 -1.35 2.07 -1.13 -3.15 116.25 114.41 3cem h VAL 629 Ca 0.36 -0.84 -0.04 0.00 0.82 0.00 0.00 66.70 67.00 3cem h VAL 629 Cb -0.13 1.58 -0.03 0.00 -1.52 0.00 0.00 31.29 31.19 3cem h VAL 629 CO -0.08 0.20 0.24 0.58 0.02 0.00 0.00 177.57 178.53 3cem h VAL 630 N -0.56 1.23 -0.01 2.57 2.07 -1.05 -2.85 116.25 117.64 3cem h VAL 630 Ca -0.02 -0.73 -0.13 0.00 0.82 0.00 0.00 66.70 66.64 3cem h VAL 630 Cb 0.45 0.48 -0.02 0.00 -1.52 0.00 0.00 31.29 30.68 3cem h VAL 630 CO 0.03 0.29 -0.63 0.78 0.02 0.00 0.00 177.57 178.06 3cem h ASN 631 N 0.93 0.04 -0.01 0.57 4.21 -0.87 -3.25 115.58 117.20 3cem h ASN 631 Ca 0.22 -0.02 0.00 0.00 1.21 0.00 0.00 56.30 57.70 3cem h ASN 631 Cb 0.20 -0.01 0.00 0.00 -1.12 0.00 0.00 38.32 37.39 3cem h ASN 631 CO -0.02 0.66 -0.65 0.59 -1.29 0.00 0.00 177.43 176.72 3cem n ASN 632 N -3.80 1.24 -4.61 5.81 3.02 -1.19 -4.89 115.26 110.85 3cem n ASN 632 Ca -0.01 -1.12 -0.43 0.00 -0.03 0.00 0.00 54.58 52.99 3cem n ASN 632 Cb 0.63 0.78 -0.03 0.00 -0.61 0.00 0.00 39.78 40.55 3cem n ASN 632 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 3cem s ASP 633 N -2.45 6.04 0.36 6.41 3.68 -1.08 -4.90 116.67 124.73 3cem s ASP 633 Ca 0.10 1.36 0.19 0.00 2.13 0.00 0.00 52.55 56.33 3cem s ASP 633 Cb 0.14 -2.53 0.42 0.00 -1.45 0.00 0.00 42.92 39.50 3cem s ASP 633 CO 0.62 -1.58 1.61 -0.65 0.13 0.00 0.00 175.17 175.30 3cem h PRO 634 N 12.21 0.00 -0.85 4.34 0.11 -1.90 -0.22 132.00 145.68 3cem h PRO 634 Ca -0.33 0.00 0.22 0.00 0.11 0.00 0.00 66.00 66.00 3cem h PRO 634 Cb 1.16 0.00 -0.14 0.00 0.11 0.00 0.00 31.00 32.13 3cem h PRO 634 CO 1.03 0.35 0.16 0.52 -0.21 0.00 0.00 178.00 179.85 3cem h MET 635 N 0.00 0.16 0.12 1.05 2.86 -1.98 -3.07 114.93 114.07 3cem h MET 635 Ca -0.00 -0.01 -0.36 0.00 -2.06 0.00 0.00 59.70 57.27 3cem h MET 635 Cb 1.10 -0.04 -0.02 0.00 0.06 0.00 0.00 31.60 32.71 3cem h MET 635 CO 0.05 0.11 -1.97 1.33 1.06 0.00 0.00 176.91 177.49 3cem n VAL 636 N -5.27 1.78 -0.63 -2.22 0.24 -0.87 -4.97 118.33 106.37 3cem n VAL 636 Ca 0.19 -0.63 0.00 0.00 -2.04 0.00 0.00 64.34 61.87 3cem n VAL 636 Cb 0.63 -1.75 0.00 0.00 -1.47 0.00 0.00 33.84 31.25 3cem n VAL 636 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3cem n GLY 637 N 1.97 3.08 0.00 7.63 0.00 -0.15 -1.81 105.19 115.92 3cem n GLY 637 Ca -0.32 -0.11 0.08 0.00 0.00 0.00 0.00 46.02 45.67 3cem n GLY 637 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3cem n SER 638 N 2.90 0.00 0.09 1.61 3.41 -1.26 -3.66 113.62 116.70 3cem n SER 638 Ca 0.00 -1.10 -0.03 0.00 -0.26 0.00 0.00 58.87 57.48 3cem n SER 638 Cb 0.00 0.00 0.19 0.00 -0.26 0.00 0.00 64.21 64.14 3cem n SER 638 CO 0.00 0.00 0.00 0.11 -0.16 0.00 0.00 175.04 174.99 3cem h LYS 639 N 0.00 0.25 -1.85 4.33 1.57 -1.73 -3.45 116.57 115.69 3cem h LYS 639 Ca 0.00 -0.13 0.09 0.00 -1.87 0.00 0.00 60.65 58.74 3cem h LYS 639 Cb 0.00 0.01 -0.21 0.00 0.08 0.00 0.00 32.23 32.11 3cem h LYS 639 CO 0.00 0.67 -0.09 -1.17 -0.57 0.00 0.00 179.45 178.29 3cem s LEU 640 N -8.16 -1.08 -0.04 2.94 2.96 -1.24 -2.04 118.68 112.02 3cem s LEU 640 Ca -0.04 1.46 0.06 0.00 -0.22 0.00 0.00 54.13 55.40 3cem s LEU 640 Cb 0.13 2.23 -0.02 0.00 0.50 0.00 0.00 46.19 49.02 3cem s LEU 640 CO 0.78 -0.21 -0.23 -0.54 -1.32 0.00 0.00 176.35 174.84 3cem s LYS 641 N 2.85 2.31 -0.11 1.98 -0.14 -0.89 -4.71 119.74 121.02 3cem s LYS 641 Ca -0.05 -0.87 0.03 0.00 -1.36 0.00 0.00 55.97 53.73 3cem s LYS 641 Cb -0.11 -2.15 0.00 0.00 -1.68 0.00 0.00 37.83 33.88 3cem s LYS 641 CO -0.19 0.53 -0.22 0.08 -0.76 0.00 0.00 175.35 174.79 3cem s VAL 642 N -0.53 2.15 -0.11 3.17 1.01 -1.26 -0.48 120.40 124.35 3cem s VAL 642 Ca 0.07 -0.98 0.03 0.00 0.00 0.00 0.00 61.98 61.10 3cem s VAL 642 Cb -0.11 -1.84 0.01 0.00 0.00 0.00 0.00 36.38 34.44 3cem s VAL 642 CO 0.00 0.55 -0.20 -0.63 0.00 0.00 0.00 175.10 174.82 3cem s ILE 643 N 0.48 1.86 -0.33 2.22 -1.09 0.15 -4.84 121.20 119.65 3cem s ILE 643 Ca -0.15 -0.88 -0.25 0.00 -2.23 0.00 0.00 60.65 57.14 3cem s ILE 643 Cb -0.17 -1.64 0.01 0.00 -1.58 0.00 0.00 42.46 39.08 3cem s ILE 643 CO 0.06 0.51 0.89 0.12 -1.23 0.00 0.00 174.94 175.29 3cem s PHE 644 N 0.67 3.15 -0.62 3.97 5.36 -1.26 -2.07 117.98 127.18 3cem s PHE 644 Ca -0.12 0.86 -0.27 0.00 -0.96 0.00 0.00 56.93 56.43 3cem s PHE 644 Cb -0.16 -3.46 0.03 0.00 -0.34 0.00 0.00 43.02 39.09 3cem s PHE 644 CO 0.02 -0.70 1.18 -1.17 -1.46 0.00 0.00 175.22 173.09 3cem s LEU 645 N 3.26 3.48 0.38 6.12 0.20 -0.13 -4.98 118.68 127.02 3cem s LEU 645 Ca 0.37 -0.14 -0.27 0.00 0.69 0.00 0.00 54.13 54.78 3cem s LEU 645 Cb -0.13 -2.94 -0.09 0.00 -0.43 0.00 0.00 46.19 42.60 3cem s LEU 645 CO 0.15 -1.55 1.33 -1.61 -0.29 0.00 0.00 176.35 174.38 3cem s GLU 646 N 5.02 4.11 -1.02 1.98 2.02 -1.26 -3.85 118.70 125.70 3cem s GLU 646 Ca 0.39 2.23 -0.03 0.00 0.02 0.00 0.00 54.97 57.58 3cem s GLU 646 Cb -0.08 -2.89 0.00 0.00 0.10 0.00 0.00 34.13 31.26 3cem s GLU 646 CO 0.21 -0.40 0.87 -1.71 0.02 0.00 0.00 175.26 174.26 3cem n ASN 647 N 0.39 -3.40 -4.69 -0.19 5.15 -1.24 -4.89 115.26 106.39 3cem n ASN 647 Ca 0.02 -0.48 -0.42 0.00 -0.60 0.00 0.00 54.58 53.10 3cem n ASN 647 Cb 0.42 -4.23 -0.03 0.00 -0.53 0.00 0.00 39.78 35.42 3cem n ASN 647 CO 0.00 0.00 0.00 -0.47 1.40 0.00 0.00 177.26 178.19 3cem s TYR 648 N -3.28 2.58 0.32 1.20 5.04 -1.26 -4.88 117.35 117.07 3cem s TYR 648 Ca 0.19 0.50 -0.15 0.00 -2.44 0.00 0.00 57.07 55.16 3cem s TYR 648 Cb -0.08 -3.86 0.03 0.00 0.35 0.00 0.00 41.96 38.39 3cem s TYR 648 CO 0.59 -3.37 0.67 -0.98 -1.34 0.00 0.00 175.55 171.12 3cem s ARG 649 N 2.53 1.92 0.17 4.97 1.70 -1.26 -4.68 118.95 124.29 3cem s ARG 649 Ca 0.70 -1.29 -0.15 0.00 -0.47 0.00 0.00 55.73 54.52 3cem s ARG 649 Cb -0.37 0.57 0.11 0.00 -0.57 0.00 0.00 34.95 34.69 3cem s ARG 649 CO 0.30 -0.87 1.72 0.28 -1.08 0.00 0.00 175.30 175.66 3cem h VAL 650 N 2.06 0.78 0.00 4.99 2.07 -1.94 0.30 116.25 124.50 3cem h VAL 650 Ca -0.26 -0.07 0.00 0.00 0.82 0.00 0.00 66.70 67.19 3cem h VAL 650 Cb 1.25 0.57 0.00 0.00 -1.52 0.00 0.00 31.29 31.59 3cem h VAL 650 CO 0.33 0.03 0.00 0.77 0.02 0.00 0.00 177.57 178.73 3cem h SER 651 N 0.19 0.00 0.37 0.57 4.64 -1.96 -2.19 113.55 115.17 3cem h SER 651 Ca 0.19 0.00 -0.29 0.00 -0.47 0.00 0.00 61.79 61.23 3cem h SER 651 Cb 0.24 0.00 0.02 0.00 -0.31 0.00 0.00 62.40 62.35 3cem h SER 651 CO -0.27 0.00 -1.26 0.25 -0.87 0.00 0.00 176.83 174.69 3cem h LEU 652 N 0.00 0.66 -1.55 5.97 5.85 -1.57 -3.23 115.31 121.44 3cem h LEU 652 Ca 0.00 -0.65 0.06 0.00 0.84 0.00 0.00 57.88 58.12 3cem h LEU 652 Cb 0.66 -0.21 -0.03 0.00 0.37 0.00 0.00 40.66 41.44 3cem h LEU 652 CO 0.00 1.49 0.38 0.00 -0.34 0.00 0.00 178.44 179.97 3cem h ALA 653 N 0.43 1.82 0.00 1.25 0.00 -0.38 0.13 119.26 122.52 3cem h ALA 653 Ca -0.17 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 54.70 3cem h ALA 653 Cb 1.95 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 19.59 3cem h ALA 653 CO 0.22 0.09 -0.11 0.93 0.00 0.00 0.00 179.25 180.38 3cem h GLU 654 N 0.56 0.00 0.14 0.00 5.08 -1.47 -1.19 114.58 117.69 3cem h GLU 654 Ca 0.24 0.00 -0.35 0.00 -1.00 0.00 0.00 59.36 58.25 3cem h GLU 654 Cb 0.26 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.50 3cem h GLU 654 CO -0.07 0.11 -1.87 0.87 -1.00 0.00 0.00 179.01 177.05 3cem h LYS 655 N 0.00 0.31 0.06 2.33 1.57 -0.87 -3.41 116.57 116.57 3cem h LYS 655 Ca -0.00 -0.52 -0.30 0.00 -1.87 0.00 0.00 60.65 57.95 3cem h LYS 655 Cb 0.23 0.19 -0.03 0.00 0.08 0.00 0.00 32.23 32.70 3cem h LYS 655 CO 0.01 1.22 -1.64 -0.24 -0.57 0.00 0.00 179.45 178.23 3cem h VAL 656 N 0.08 0.98 -0.05 0.50 3.04 -0.90 -3.35 116.25 116.55 3cem h VAL 656 Ca -0.38 -2.72 0.02 0.00 -1.01 0.00 0.00 66.70 62.61 3cem h VAL 656 Cb 2.06 2.59 -0.03 0.00 -2.01 0.00 0.00 31.29 33.90 3cem h VAL 656 CO 0.13 0.72 -0.09 0.40 -1.01 0.00 0.00 177.57 177.72 3cem h ILE 657 N 0.04 0.75 0.00 3.17 2.04 -1.47 -1.72 117.51 120.32 3cem h ILE 657 Ca -0.27 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.59 3cem h ILE 657 Cb 2.00 0.75 0.00 0.00 -0.74 0.00 0.00 36.82 38.83 3cem h ILE 657 CO 0.11 0.00 0.00 -2.65 0.00 0.00 0.00 178.15 175.61 3cem n PRO 658 N -5.22 0.07 -0.24 2.37 -0.02 -1.26 -1.58 135.00 129.11 3cem n PRO 658 Ca -0.05 0.39 0.10 0.00 -2.02 0.00 0.00 63.50 61.92 3cem n PRO 658 Cb 0.15 -1.65 0.26 0.00 -0.02 0.00 0.00 33.50 32.24 3cem n PRO 658 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3cem n ALA 659 N -1.60 2.43 -2.68 3.55 0.00 -0.65 -4.71 120.51 116.85 3cem n ALA 659 Ca 0.02 -0.92 -0.37 0.00 0.00 0.00 0.00 53.44 52.17 3cem n ALA 659 Cb 0.14 -0.96 -0.06 0.00 0.00 0.00 0.00 19.45 18.57 3cem n ALA 659 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 3cem s THR 660 N -1.37 5.24 -0.24 0.00 2.01 -0.61 -4.68 115.64 115.98 3cem s THR 660 Ca 0.37 0.51 0.00 0.00 0.31 0.00 0.00 61.69 62.89 3cem s THR 660 Cb 0.20 -3.57 -0.18 0.00 0.01 0.00 0.00 72.50 68.95 3cem s THR 660 CO 0.27 0.56 -0.16 0.47 -0.69 0.00 0.00 174.62 175.07 3cem n ASP 661 N 1.76 2.00 -3.83 3.53 8.00 -0.01 -4.02 116.55 123.98 3cem n ASP 661 Ca -0.16 -0.08 -0.21 0.00 0.71 0.00 0.00 54.79 55.06 3cem n ASP 661 Cb 0.53 -0.48 -0.17 0.00 -0.02 0.00 0.00 41.12 40.99 3cem n ASP 661 CO 0.00 0.00 0.00 -0.22 -0.39 0.00 0.00 177.20 176.59 3cem s LEU 662 N -6.62 0.99 -0.21 0.64 2.96 -0.62 -0.24 118.68 115.59 3cem s LEU 662 Ca -0.34 -0.09 -0.07 0.00 -0.22 0.00 0.00 54.13 53.42 3cem s LEU 662 Cb 0.09 -0.40 -0.03 0.00 0.50 0.00 0.00 46.19 46.35 3cem s LEU 662 CO 0.62 -0.12 0.05 -0.55 -1.32 0.00 0.00 176.35 175.03 3cem s SER 663 N 1.38 5.33 -0.34 3.68 0.15 0.71 -1.09 113.70 123.52 3cem s SER 663 Ca -0.04 -0.06 -0.17 0.00 0.70 0.00 0.00 55.95 56.37 3cem s SER 663 Cb -0.13 -1.93 -0.01 0.00 -1.71 0.00 0.00 66.02 62.24 3cem s SER 663 CO -0.02 0.09 0.49 -1.61 1.20 0.00 0.00 173.24 173.38 3cem s GLU 664 N 0.88 3.67 -0.52 5.44 0.41 -0.42 -1.28 118.70 126.88 3cem s GLU 664 Ca 0.03 -0.15 0.06 0.00 -0.41 0.00 0.00 54.97 54.50 3cem s GLU 664 Cb -0.14 -3.79 0.20 0.00 -1.78 0.00 0.00 34.13 28.63 3cem s GLU 664 CO 0.02 -0.59 0.49 1.04 -0.49 0.00 0.00 175.26 175.74 3cem n GLN 665 N 5.66 1.11 -0.57 1.61 1.13 -0.03 -4.76 117.38 121.52 3cem n GLN 665 Ca -0.05 -3.76 0.05 0.00 -1.94 0.00 0.00 57.00 51.30 3cem n GLN 665 Cb 0.49 -1.81 0.20 0.00 0.11 0.00 0.00 30.24 29.24 3cem n GLN 665 CO 0.00 0.00 0.00 0.44 -1.44 0.00 0.00 177.06 176.06 3cem n ILE 666 N 1.93 2.22 -1.95 5.09 -5.35 -1.26 -2.72 119.36 117.32 3cem n ILE 666 Ca 0.25 -3.10 -0.37 0.00 -0.27 0.00 0.00 62.75 59.26 3cem n ILE 666 Cb 0.45 -0.25 0.03 0.00 -1.74 0.00 0.00 39.64 38.13 3cem n ILE 666 CO 0.00 0.00 0.00 -0.94 -1.76 0.00 0.00 176.55 173.85 3cem s SER 667 N -3.12 5.42 0.28 7.28 1.04 -1.25 -4.66 113.70 118.68 3cem s SER 667 Ca 0.38 2.55 -0.30 0.00 0.48 0.00 0.00 55.95 59.06 3cem s SER 667 Cb 0.37 -2.62 -0.12 0.00 0.10 0.00 0.00 66.02 63.75 3cem s SER 667 CO -0.05 -1.45 1.61 0.41 0.98 0.00 0.00 173.24 174.74 3cem n THR 668 N -1.09 0.84 -1.66 2.02 -1.04 -1.15 -4.59 114.28 107.60 3cem n THR 668 Ca 0.11 -0.21 -0.47 0.00 -2.04 0.00 0.00 64.05 61.43 3cem n THR 668 Cb 0.47 -1.94 -0.05 0.00 -1.82 0.00 0.00 70.33 66.99 3cem n THR 668 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 3cem n ALA 669 N 2.45 0.92 -0.20 2.41 0.00 -1.26 -1.09 120.51 123.73 3cem n ALA 669 Ca 0.10 0.43 0.00 0.00 0.00 0.00 0.00 53.44 53.97 3cem n ALA 669 Cb 0.36 -2.33 0.00 0.00 0.00 0.00 0.00 19.45 17.48 3cem n ALA 669 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3cem n GLY 670 N 3.43 0.71 0.10 0.00 0.00 -1.26 -4.76 105.19 103.40 3cem n GLY 670 Ca 0.18 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 46.09 3cem n GLY 670 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3cem n THR 671 N -2.07 1.25 -3.08 2.61 -2.24 -0.25 -4.84 114.28 105.65 3cem n THR 671 Ca 0.00 -0.65 -0.43 0.00 -2.27 0.00 0.00 64.05 60.70 3cem n THR 671 Cb 0.00 -0.83 -0.06 0.00 -2.10 0.00 0.00 70.33 67.34 3cem n THR 671 CO 0.00 0.00 0.00 -0.70 -0.57 0.00 0.00 175.07 173.80 3cem s GLU 672 N -2.44 3.23 0.18 -0.78 2.56 -1.26 -4.84 118.70 115.36 3cem s GLU 672 Ca -0.17 -0.54 -0.17 0.00 0.00 0.00 0.00 54.97 54.08 3cem s GLU 672 Cb 0.06 -4.02 0.14 0.00 2.00 0.00 0.00 34.13 32.31 3cem s GLU 672 CO 0.65 -1.16 1.63 0.00 -0.56 0.00 0.00 175.26 175.81 3cem h ALA 673 N 8.99 0.18 0.00 6.30 0.00 -1.88 -2.69 119.26 130.16 3cem h ALA 673 Ca -0.26 0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.82 3cem h ALA 673 Cb 1.09 0.50 0.00 0.00 0.00 0.00 0.00 17.79 19.38 3cem h ALA 673 CO 0.95 -0.53 -0.00 0.45 0.00 0.00 0.00 179.25 180.12 3cem n SER 674 N -5.40 -0.14 0.00 0.00 2.88 -1.26 -4.18 113.62 105.53 3cem n SER 674 Ca 0.04 0.49 0.00 0.00 -1.33 0.00 0.00 58.87 58.07 3cem n SER 674 Cb 0.30 0.39 0.00 0.00 -0.75 0.00 0.00 64.21 64.16 3cem n SER 674 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 3cem n GLY 675 N 1.58 -1.09 0.00 0.46 0.00 -1.26 -0.28 105.19 104.60 3cem n GLY 675 Ca 0.00 -1.39 0.00 0.00 0.00 0.00 0.00 46.02 44.63 3cem n GLY 675 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3cem n THR 676 N -0.12 0.00 -0.17 2.61 -2.24 -1.26 -4.74 114.28 108.37 3cem n THR 676 Ca 0.00 0.00 -0.02 0.00 -2.27 0.00 0.00 64.05 61.76 3cem n THR 676 Cb 0.00 -0.18 0.04 0.00 -2.10 0.00 0.00 70.33 68.10 3cem n THR 676 CO 0.00 0.00 0.00 1.23 -0.57 0.00 0.00 175.07 175.73 3cem h GLY 677 N 0.00 0.40 -0.25 3.38 0.00 -1.96 -0.73 103.07 103.90 3cem h GLY 677 Ca 0.00 0.15 0.21 0.00 0.00 0.00 0.00 47.33 47.69 3cem h GLY 677 CO 0.00 -0.19 0.26 3.45 0.00 0.00 0.00 176.54 180.06 3cem h ASN 678 N 0.02 0.10 0.22 0.19 7.08 -1.95 0.23 115.58 121.47 3cem h ASN 678 Ca 0.25 0.17 -0.12 0.00 -3.08 0.00 0.00 56.30 53.52 3cem h ASN 678 Cb 0.39 0.20 -0.01 0.00 -2.08 0.00 0.00 38.32 36.82 3cem h ASN 678 CO -0.52 -0.07 -0.44 0.24 -2.08 0.00 0.00 177.43 174.56 3cem h MET 679 N 0.29 0.27 -0.34 4.14 2.86 -1.47 -2.53 114.93 118.16 3cem h MET 679 Ca 0.51 -0.14 -0.02 0.00 -2.06 0.00 0.00 59.70 57.99 3cem h MET 679 Cb 0.96 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 32.61 3cem h MET 679 CO -0.57 0.67 0.13 0.87 1.06 0.00 0.00 176.91 179.07 3cem h LYS 680 N 0.23 0.51 -0.14 1.72 1.57 0.25 -2.01 116.57 118.69 3cem h LYS 680 Ca 0.02 -0.09 -0.02 0.00 -1.87 0.00 0.00 60.65 58.69 3cem h LYS 680 Cb 0.87 -0.08 -0.01 0.00 0.08 0.00 0.00 32.23 33.10 3cem h LYS 680 CO 0.07 0.51 0.03 0.74 -0.57 0.00 0.00 179.45 180.23 3cem h PHE 681 N 0.40 0.25 -0.90 -1.35 0.04 -1.38 -2.59 116.94 111.40 3cem h PHE 681 Ca 0.11 -0.03 0.12 0.00 2.80 0.00 0.00 57.97 60.98 3cem h PHE 681 Cb 0.19 -0.07 -0.09 0.00 2.20 0.00 0.00 35.95 38.19 3cem h PHE 681 CO -0.00 0.40 0.52 1.98 -0.60 0.00 0.00 178.31 180.61 3cem h MET 682 N 0.02 0.78 0.00 1.51 4.05 -1.39 0.14 114.93 120.04 3cem h MET 682 Ca 0.04 -0.05 0.00 0.00 -0.28 0.00 0.00 59.70 59.42 3cem h MET 682 Cb 0.29 -0.18 0.00 0.00 -0.80 0.00 0.00 31.60 30.91 3cem h MET 682 CO 0.00 0.52 0.00 1.25 0.23 0.00 0.00 176.91 178.91 3cem h LEU 683 N 0.81 0.00 -2.94 3.39 5.85 -1.14 -3.28 115.31 118.00 3cem h LEU 683 Ca 0.46 0.00 0.00 0.00 0.84 0.00 0.00 57.88 59.18 3cem h LEU 683 Cb 0.53 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.56 3cem h LEU 683 CO -0.30 0.00 0.00 0.59 -0.34 0.00 0.00 178.44 178.39 3cem n ASN 684 N -2.69 3.43 0.00 1.25 3.02 0.44 -4.92 115.26 115.79 3cem n ASN 684 Ca 0.03 -2.18 0.00 0.00 -0.03 0.00 0.00 54.58 52.40 3cem n ASN 684 Cb 0.38 -0.35 0.00 0.00 -0.61 0.00 0.00 39.78 39.19 3cem n ASN 684 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3cem n GLY 685 N 0.64 1.20 3.86 7.41 0.00 -0.97 -4.78 105.19 112.54 3cem n GLY 685 Ca 0.17 -0.31 -0.24 0.00 0.00 0.00 0.00 46.02 45.63 3cem n GLY 685 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3cem s ALA 686 N -2.00 3.70 0.28 4.61 0.00 -1.02 -4.79 121.76 122.54 3cem s ALA 686 Ca 0.00 -1.25 0.01 0.00 0.00 0.00 0.00 51.96 50.72 3cem s ALA 686 Cb 0.00 -1.47 -0.03 0.00 0.00 0.00 0.00 23.12 21.61 3cem s ALA 686 CO 0.00 0.39 0.46 -0.51 0.00 0.00 0.00 175.76 176.10 3cem s LEU 687 N -3.50 4.15 -0.14 0.00 1.43 0.67 -4.48 118.68 116.80 3cem s LEU 687 Ca 0.33 0.34 -0.01 0.00 -1.03 0.00 0.00 54.13 53.75 3cem s LEU 687 Cb -0.09 -3.16 -0.02 0.00 0.03 0.00 0.00 46.19 42.95 3cem s LEU 687 CO 0.26 -0.17 -0.10 -0.89 0.23 0.00 0.00 176.35 175.67 3cem s THR 688 N -2.12 3.24 -0.19 5.49 2.01 -1.26 -0.21 115.64 122.60 3cem s THR 688 Ca 0.38 -0.59 -0.05 0.00 0.31 0.00 0.00 61.69 61.74 3cem s THR 688 Cb -0.10 -2.39 -0.03 0.00 0.01 0.00 0.00 72.50 70.00 3cem s THR 688 CO 0.32 0.51 0.01 -0.51 -0.69 0.00 0.00 174.62 174.26 3cem s ILE 689 N 0.48 4.13 -0.03 1.82 2.07 -0.40 -0.70 121.20 128.56 3cem s ILE 689 Ca -0.08 -0.26 -0.31 0.00 -1.41 0.00 0.00 60.65 58.60 3cem s ILE 689 Cb -0.15 -2.85 0.12 0.00 0.13 0.00 0.00 42.46 39.71 3cem s ILE 689 CO 0.04 0.45 1.31 -0.83 -1.91 0.00 0.00 174.94 174.00 3cem s GLY 690 N 0.74 -0.41 0.67 1.50 0.00 -0.75 -0.85 107.32 108.22 3cem s GLY 690 Ca 0.00 0.69 -0.10 0.00 0.00 0.00 0.00 44.72 45.31 3cem s GLY 690 CO 0.02 0.52 1.05 -0.51 0.00 0.00 0.00 173.10 174.18 3cem s THR 691 N -2.33 3.71 -1.15 0.90 -4.23 -1.10 -3.12 115.64 108.31 3cem s THR 691 Ca 0.15 0.46 -0.20 0.00 -1.18 0.00 0.00 61.69 60.92 3cem s THR 691 Cb 0.05 -3.53 -0.05 0.00 1.34 0.00 0.00 72.50 70.31 3cem s THR 691 CO -0.04 -0.68 1.93 0.23 -0.54 0.00 0.00 174.62 175.52 3cem n MET 692 N -2.89 2.15 -4.02 3.99 2.81 -1.26 -4.65 117.12 113.24 3cem n MET 692 Ca 0.06 -2.53 -0.10 0.00 -1.81 0.00 0.00 57.70 53.33 3cem n MET 692 Cb 0.57 -3.40 -0.11 0.00 -0.71 0.00 0.00 33.22 29.57 3cem n MET 692 CO 0.00 0.00 0.00 0.34 1.51 0.00 0.00 175.97 177.82 3cem s ASP 693 N 5.05 0.45 0.70 7.83 3.68 -1.26 -4.59 116.67 128.54 3cem s ASP 693 Ca 0.59 -0.61 0.00 0.00 2.13 0.00 0.00 52.55 54.66 3cem s ASP 693 Cb 0.07 0.10 0.00 0.00 -1.45 0.00 0.00 42.92 41.64 3cem s ASP 693 CO 0.08 -0.33 0.00 0.61 0.13 0.00 0.00 175.17 175.67 3cem n GLY 694 N 1.28 2.49 0.09 2.66 0.00 -1.02 -1.61 105.19 109.08 3cem n GLY 694 Ca -0.22 -0.23 0.15 0.00 0.00 0.00 0.00 46.02 45.73 3cem n GLY 694 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3cem n ALA 695 N 7.96 2.66 -0.19 4.61 0.00 0.61 -3.00 120.51 133.17 3cem n ALA 695 Ca 0.00 -0.24 -0.01 0.00 0.00 0.00 0.00 53.44 53.19 3cem n ALA 695 Cb 0.00 -1.43 0.22 0.00 0.00 0.00 0.00 19.45 18.23 3cem n ALA 695 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 177.50 176.59 3cem h ASN 696 N 0.46 0.84 -0.67 0.00 4.21 -1.51 0.41 115.58 119.32 3cem h ASN 696 Ca 0.00 -0.08 0.02 0.00 1.21 0.00 0.00 56.30 57.45 3cem h ASN 696 Cb 0.16 -0.21 -0.04 0.00 -1.12 0.00 0.00 38.32 37.11 3cem h ASN 696 CO 0.00 0.70 0.43 0.58 -1.29 0.00 0.00 177.43 177.85 3cem h VAL 697 N 0.94 1.13 0.00 2.81 2.07 -1.54 -1.32 116.25 120.34 3cem h VAL 697 Ca 0.24 -0.30 -0.07 0.00 0.82 0.00 0.00 66.70 67.38 3cem h VAL 697 Cb 0.06 0.19 -0.01 0.00 -1.52 0.00 0.00 31.29 30.01 3cem h VAL 697 CO -0.03 0.16 -0.36 -0.33 0.02 0.00 0.00 177.57 177.03 3cem h GLU 698 N 0.87 0.00 -0.24 1.57 5.08 -1.51 -0.64 114.58 119.72 3cem h GLU 698 Ca 0.26 0.00 -0.18 0.00 -1.00 0.00 0.00 59.36 58.44 3cem h GLU 698 Cb -0.05 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.20 3cem h GLU 698 CO -0.08 0.36 -0.56 0.52 -1.00 0.00 0.00 179.01 178.25 3cem h MET 699 N 0.00 0.72 -0.27 2.33 2.86 -0.46 -2.35 114.93 117.77 3cem h MET 699 Ca -0.00 -0.46 -0.02 0.00 -2.06 0.00 0.00 59.70 57.16 3cem h MET 699 Cb 1.13 0.06 -0.01 0.00 0.06 0.00 0.00 31.60 32.83 3cem h MET 699 CO 0.05 1.08 0.10 0.00 1.06 0.00 0.00 176.91 179.20 3cem h ALA 700 N 0.82 0.36 -0.97 6.32 0.00 -0.86 -0.16 119.26 124.76 3cem h ALA 700 Ca 0.01 -0.13 0.17 0.00 0.00 0.00 0.00 54.91 54.96 3cem h ALA 700 Cb 1.13 -0.11 -0.10 0.00 0.00 0.00 0.00 17.79 18.72 3cem h ALA 700 CO 0.11 -0.04 0.58 0.93 0.00 0.00 0.00 179.25 180.84 3cem h GLU 701 N 0.29 0.76 0.09 0.00 5.08 -0.98 0.98 114.58 120.80 3cem h GLU 701 Ca 0.09 -0.05 -0.27 0.00 -1.00 0.00 0.00 59.36 58.14 3cem h GLU 701 Cb 0.20 -0.17 -0.01 0.00 0.50 0.00 0.00 28.75 29.27 3cem h GLU 701 CO -0.01 0.50 -1.27 0.93 -1.00 0.00 0.00 179.01 178.16 3cem h GLU 702 N 0.78 0.20 0.00 2.33 4.39 -0.91 -3.34 114.58 118.03 3cem h GLU 702 Ca 0.54 -0.33 0.00 0.00 0.34 0.00 0.00 59.36 59.91 3cem h GLU 702 Cb 0.77 0.12 0.00 0.00 -0.10 0.00 0.00 28.75 29.54 3cem h GLU 702 CO -0.36 1.12 -1.31 0.00 -1.16 0.00 0.00 179.01 177.30 3cem n ALA 703 N -2.52 3.22 -0.19 3.43 0.00 -0.12 -4.81 120.51 119.53 3cem n ALA 703 Ca -0.09 -0.43 0.00 0.00 0.00 0.00 0.00 53.44 52.92 3cem n ALA 703 Cb 1.01 -0.91 0.00 0.00 0.00 0.00 0.00 19.45 19.55 3cem n ALA 703 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3cem n GLY 704 N 1.32 -0.32 0.51 0.00 0.00 0.31 -4.61 105.19 102.40 3cem n GLY 704 Ca 0.00 -1.04 0.31 0.00 0.00 0.00 0.00 46.02 45.30 3cem n GLY 704 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 3cem h GLU 705 N 0.00 0.00 -0.00 1.61 4.81 -1.80 0.43 114.58 119.63 3cem h GLU 705 Ca 0.00 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 3cem h GLU 705 Cb 0.00 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.38 3cem h GLU 705 CO 0.00 0.00 -0.11 -0.85 -0.73 0.00 0.00 179.01 177.32 3cem n GLU 706 N -3.71 0.09 -0.22 1.92 0.00 -1.26 -3.06 120.64 114.40 3cem n GLU 706 Ca 0.22 -0.02 0.10 0.00 0.00 0.00 0.00 57.16 57.46 3cem n GLU 706 Cb 1.26 -1.50 0.27 0.00 0.00 0.00 0.00 31.44 31.46 3cem n GLU 706 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.13 177.22 3cem n ASN 707 N -1.44 2.92 -4.24 -1.84 3.02 0.15 -4.85 115.26 108.98 3cem n ASN 707 Ca 0.08 -1.94 -0.15 0.00 -0.03 0.00 0.00 54.58 52.54 3cem n ASN 707 Cb 0.32 -0.29 -0.10 0.00 -0.61 0.00 0.00 39.78 39.11 3cem n ASN 707 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 3cem s LEU 708 N -1.27 2.48 -1.18 3.41 1.02 -1.17 -4.80 118.68 117.18 3cem s LEU 708 Ca 0.37 -0.93 -0.12 0.00 0.02 0.00 0.00 54.13 53.47 3cem s LEU 708 Cb 0.20 -0.41 0.21 0.00 0.02 0.00 0.00 46.19 46.21 3cem s LEU 708 CO 0.28 -0.27 1.32 -0.36 0.02 0.00 0.00 176.35 177.35 3cem s PHE 709 N -2.88 3.78 0.42 0.29 0.40 0.12 -4.95 117.98 115.16 3cem s PHE 709 Ca 0.13 -2.34 -0.17 0.00 -0.60 0.00 0.00 56.93 53.96 3cem s PHE 709 Cb -0.00 -4.15 -0.09 0.00 0.51 0.00 0.00 43.02 39.29 3cem s PHE 709 CO 0.01 -1.24 0.88 0.42 0.70 0.00 0.00 175.22 175.99 3cem s ILE 710 N 0.55 4.56 -0.12 0.64 -1.09 -1.26 -1.81 121.20 122.67 3cem s ILE 710 Ca 0.38 1.15 -0.31 0.00 -2.23 0.00 0.00 60.65 59.64 3cem s ILE 710 Cb -0.05 -3.65 0.13 0.00 -1.58 0.00 0.00 42.46 37.30 3cem s ILE 710 CO -0.03 -0.41 1.04 0.72 -1.23 0.00 0.00 174.94 175.04 3cem s PHE 711 N -2.27 -0.27 0.00 3.97 -0.12 -1.18 -4.95 117.98 113.15 3cem s PHE 711 Ca 0.58 0.30 0.00 0.00 -0.05 0.00 0.00 56.93 57.75 3cem s PHE 711 Cb -0.10 0.50 0.00 0.00 -0.63 0.00 0.00 43.02 42.79 3cem s PHE 711 CO 0.22 -0.35 0.00 0.41 -0.05 0.00 0.00 175.22 175.45 3cem n GLY 712 N 0.16 0.15 3.68 1.99 0.00 -1.26 -4.17 105.19 105.74 3cem n GLY 712 Ca -0.06 -1.97 -0.45 0.00 0.00 0.00 0.00 46.02 43.54 3cem n GLY 712 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 3cem n MET 713 N 0.00 2.11 -2.04 1.61 2.81 -1.26 -4.90 117.12 115.46 3cem n MET 713 Ca 0.00 0.75 -0.29 0.00 -1.81 0.00 0.00 57.70 56.36 3cem n MET 713 Cb 0.00 -2.45 0.18 0.00 -0.71 0.00 0.00 33.22 30.24 3cem n MET 713 CO 0.00 0.00 0.00 1.03 1.51 0.00 0.00 175.97 178.51 3cem s ARG 714 N -0.13 0.69 0.40 0.03 3.00 -1.26 -4.52 118.95 117.16 3cem s ARG 714 Ca 0.70 -0.56 0.12 0.00 0.00 0.00 0.00 55.73 55.99 3cem s ARG 714 Cb -0.64 -1.91 0.81 0.00 0.00 0.00 0.00 34.95 33.21 3cem s ARG 714 CO 0.47 -2.33 1.89 0.97 0.00 0.00 0.00 175.30 176.30 3cem h ILE 715 N -1.52 1.20 -0.53 1.52 2.10 -1.86 -2.81 117.51 115.62 3cem h ILE 715 Ca -0.43 -0.97 0.01 0.00 1.08 0.00 0.00 64.86 64.55 3cem h ILE 715 Cb 1.23 1.47 -0.03 0.00 -1.09 0.00 0.00 36.82 38.41 3cem h ILE 715 CO 0.36 0.28 0.35 0.44 -1.08 0.00 0.00 178.15 178.51 3cem h ASP 716 N 0.06 0.61 -0.03 2.19 5.19 -1.96 -2.56 116.42 119.93 3cem h ASP 716 Ca 0.01 -0.02 -0.02 0.00 -0.62 0.00 0.00 57.03 56.39 3cem h ASP 716 Cb 0.50 -0.15 -0.01 0.00 0.18 0.00 0.00 39.33 39.85 3cem h ASP 716 CO 0.04 0.45 -0.01 0.44 -3.12 0.00 0.00 179.24 177.03 3cem h ASP 717 N 0.73 0.12 -0.05 6.45 3.32 -1.87 0.15 116.42 125.26 3cem h ASP 717 Ca 0.20 -0.01 -0.02 0.00 0.02 0.00 0.00 57.03 57.22 3cem h ASP 717 Cb -0.08 -0.03 -0.00 0.00 0.22 0.00 0.00 39.33 39.43 3cem h ASP 717 CO -0.04 0.16 -0.04 0.58 -1.72 0.00 0.00 179.24 178.18 3cem h VAL 718 N 0.13 1.36 -0.45 -1.35 2.07 -1.40 0.78 116.25 117.40 3cem h VAL 718 Ca 0.03 -1.15 0.08 0.00 0.82 0.00 0.00 66.70 66.48 3cem h VAL 718 Cb 0.12 2.02 -0.10 0.00 -1.52 0.00 0.00 31.29 31.81 3cem h VAL 718 CO 0.00 0.31 -0.36 0.00 0.02 0.00 0.00 177.57 177.55 3cem h ALA 719 N 0.57 -0.21 0.17 1.67 0.00 -1.04 0.15 119.26 120.56 3cem h ALA 719 Ca 0.01 0.11 0.01 0.00 0.00 0.00 0.00 54.91 55.04 3cem h ALA 719 Cb 0.53 0.78 -0.02 0.00 0.00 0.00 0.00 17.79 19.07 3cem h ALA 719 CO 0.01 -0.75 -0.20 0.00 0.00 0.00 0.00 179.25 178.31 3cem h ALA 720 N 0.73 -0.38 -0.51 0.00 0.00 -0.67 -1.63 119.26 116.81 3cem h ALA 720 Ca 0.18 -0.05 0.05 0.00 0.00 0.00 0.00 54.91 55.09 3cem h ALA 720 Cb 0.55 0.29 -0.03 0.00 0.00 0.00 0.00 17.79 18.61 3cem h ALA 720 CO -0.59 -0.74 0.34 1.25 0.00 0.00 0.00 179.25 179.51 3cem h LEU 721 N -0.41 0.43 0.89 0.00 5.85 -0.62 -1.62 115.31 119.83 3cem h LEU 721 Ca 0.01 -0.00 -0.04 0.00 0.84 0.00 0.00 57.88 58.68 3cem h LEU 721 Cb 0.40 -0.10 0.01 0.00 0.37 0.00 0.00 40.66 41.34 3cem h LEU 721 CO -0.07 0.29 -0.43 0.44 -0.34 0.00 0.00 178.44 178.33 3cem h ASP 722 N 0.50 -1.02 -0.76 1.25 3.32 -0.15 -0.63 116.42 118.94 3cem h ASP 722 Ca 0.21 0.03 0.17 0.00 0.02 0.00 0.00 57.03 57.47 3cem h ASP 722 Cb 0.23 0.26 -0.13 0.00 0.22 0.00 0.00 39.33 39.91 3cem h ASP 722 CO -0.06 -0.67 0.07 0.50 -1.72 0.00 0.00 179.24 177.37 3cem h LYS 723 N -1.32 0.15 0.00 3.56 3.64 -1.06 0.28 116.57 121.82 3cem h LYS 723 Ca -0.12 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.25 3cem h LYS 723 Cb 0.92 -0.03 0.00 0.00 -0.41 0.00 0.00 32.23 32.71 3cem h LYS 723 CO 0.20 0.10 0.00 -0.22 -2.27 0.00 0.00 179.45 177.26 3cem h LYS 724 N 0.15 0.00 0.00 1.90 3.64 -1.31 -3.50 116.57 117.46 3cem h LYS 724 Ca 0.43 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.81 3cem h LYS 724 Cb 0.76 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.58 3cem h LYS 724 CO -0.62 0.00 0.00 0.41 -2.27 0.00 0.00 179.45 176.97 3cem n GLY 725 N 1.10 0.57 3.56 5.01 0.00 0.98 -4.98 105.19 111.43 3cem n GLY 725 Ca 0.05 -1.37 -0.42 0.00 0.00 0.00 0.00 46.02 44.28 3cem n GLY 725 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 3cem s TYR 726 N -0.74 3.16 -0.47 1.61 5.04 -1.25 -4.85 117.35 119.86 3cem s TYR 726 Ca 0.00 0.27 -0.03 0.00 -2.44 0.00 0.00 57.07 54.87 3cem s TYR 726 Cb 0.00 -3.06 0.12 0.00 0.35 0.00 0.00 41.96 39.37 3cem s TYR 726 CO 0.00 -0.60 0.27 -1.21 -1.34 0.00 0.00 175.55 172.67 3cem s GLU 727 N 2.59 2.17 0.27 4.97 0.41 -1.26 -4.94 118.70 122.90 3cem s GLU 727 Ca 0.22 -1.99 -0.02 0.00 -0.41 0.00 0.00 54.97 52.77 3cem s GLU 727 Cb -0.15 -3.64 0.36 0.00 -1.78 0.00 0.00 34.13 28.92 3cem s GLU 727 CO 0.14 -1.11 1.79 0.00 -0.49 0.00 0.00 175.26 175.60 3cem h ALA 728 N 7.82 1.15 -1.00 5.21 0.00 -1.86 -3.17 119.26 127.40 3cem h ALA 728 Ca -0.11 -0.24 0.20 0.00 0.00 0.00 0.00 54.91 54.77 3cem h ALA 728 Cb 1.03 -0.21 -0.11 0.00 0.00 0.00 0.00 17.79 18.50 3cem h ALA 728 CO 0.71 0.56 0.60 -0.22 0.00 0.00 0.00 179.25 180.91 3cem h LYS 729 N 0.78 0.71 -0.07 0.00 1.63 -1.90 -2.70 116.57 115.02 3cem h LYS 729 Ca 0.16 -0.04 0.04 0.00 -0.85 0.00 0.00 60.65 59.96 3cem h LYS 729 Cb 0.38 -0.16 -0.05 0.00 -0.60 0.00 0.00 32.23 31.80 3cem h LYS 729 CO 0.01 0.47 -0.23 0.93 -3.45 0.00 0.00 179.45 177.18 3cem h GLU 730 N 0.73 -0.31 -0.09 1.90 5.08 -1.98 -1.91 114.58 118.00 3cem h GLU 730 Ca 0.59 0.02 -0.01 0.00 -1.00 0.00 0.00 59.36 58.96 3cem h GLU 730 Cb 0.95 0.07 -0.01 0.00 0.50 0.00 0.00 28.75 30.26 3cem h GLU 730 CO -0.40 -0.21 0.01 1.88 -1.00 0.00 0.00 179.01 179.29 3cem h TYR 731 N -0.32 0.12 -0.49 4.33 -1.99 -1.67 0.30 116.97 117.25 3cem h TYR 731 Ca 0.08 -0.00 -0.10 0.00 2.00 0.00 0.00 58.73 60.71 3cem h TYR 731 Cb 0.44 -0.04 -0.02 0.00 2.00 0.00 0.00 36.73 39.12 3cem h TYR 731 CO -0.30 0.12 -0.10 -0.92 -0.00 0.00 0.00 178.16 176.96 3cem h TYR 732 N 0.12 1.04 0.11 4.88 3.20 -1.43 -1.72 116.97 123.17 3cem h TYR 732 Ca 0.03 -0.22 -0.01 0.00 3.14 0.00 0.00 58.73 61.68 3cem h TYR 732 Cb 0.07 -0.26 0.00 0.00 1.54 0.00 0.00 36.73 38.08 3cem h TYR 732 CO 0.00 1.00 -0.05 0.93 -1.64 0.00 0.00 178.16 178.40 3cem h GLU 733 N 0.79 -0.14 0.00 1.82 4.39 -0.53 -3.32 114.58 117.59 3cem h GLU 733 Ca 0.13 0.01 -0.01 0.00 0.34 0.00 0.00 59.36 59.82 3cem h GLU 733 Cb 0.65 0.03 -0.00 0.00 -0.10 0.00 0.00 28.75 29.33 3cem h GLU 733 CO 0.04 0.22 -0.06 0.00 -1.16 0.00 0.00 179.01 178.06 3cem h ALA 734 N 0.31 1.11 -3.59 3.43 0.00 -0.42 -3.40 119.26 116.70 3cem h ALA 734 Ca -0.01 -0.05 -0.64 0.00 0.00 0.00 0.00 54.91 54.21 3cem h ALA 734 Cb 0.42 -0.01 -0.39 0.00 0.00 0.00 0.00 17.79 17.81 3cem h ALA 734 CO 0.02 0.07 -0.75 -0.51 0.00 0.00 0.00 179.25 178.09 3cem s LEU 735 N -6.63 3.70 0.25 0.00 1.43 -0.65 -5.00 118.68 111.78 3cem s LEU 735 Ca -0.02 -1.79 -0.12 0.00 -1.03 0.00 0.00 54.13 51.17 3cem s LEU 735 Cb 0.12 -1.38 0.34 0.00 0.03 0.00 0.00 46.19 45.30 3cem s LEU 735 CO 0.53 -0.34 1.57 1.55 0.23 0.00 0.00 176.35 179.89 3cem h PRO 736 N 7.79 -0.01 -0.25 1.29 0.13 -1.83 -2.27 132.00 136.85 3cem h PRO 736 Ca -0.10 0.00 -0.10 0.00 -0.87 0.00 0.00 66.00 64.93 3cem h PRO 736 Cb 1.03 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.15 3cem h PRO 736 CO 0.48 -0.01 -0.26 0.93 -0.23 0.00 0.00 178.00 178.91 3cem h GLU 737 N -0.01 0.49 0.17 0.86 5.08 -1.95 -2.94 114.58 116.28 3cem h GLU 737 Ca 0.40 -0.19 -0.01 0.00 -1.00 0.00 0.00 59.36 58.56 3cem h GLU 737 Cb 0.64 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.87 3cem h GLU 737 CO -0.94 0.71 -0.08 1.25 -1.00 0.00 0.00 179.01 178.95 3cem h LEU 738 N 0.43 -0.20 -0.69 1.33 5.85 -1.85 -3.13 115.31 117.06 3cem h LEU 738 Ca 0.06 -0.16 0.14 0.00 0.84 0.00 0.00 57.88 58.77 3cem h LEU 738 Cb 0.69 0.05 -0.10 0.00 0.37 0.00 0.00 40.66 41.66 3cem h LEU 738 CO 0.05 0.05 0.14 0.50 -0.34 0.00 0.00 178.44 178.84 3cem h LYS 739 N -0.44 0.24 0.37 1.25 3.64 -1.29 -0.16 116.57 120.18 3cem h LYS 739 Ca -0.02 -0.01 -0.00 0.00 -1.27 0.00 0.00 60.65 59.34 3cem h LYS 739 Cb 0.34 -0.05 -0.02 0.00 -0.41 0.00 0.00 32.23 32.09 3cem h LYS 739 CO 0.04 0.16 -0.37 1.25 -2.27 0.00 0.00 179.45 178.26 3cem h LEU 740 N 0.25 -0.99 -0.53 5.20 5.85 -1.56 0.27 115.31 123.80 3cem h LEU 740 Ca 0.38 0.08 0.09 0.00 0.84 0.00 0.00 57.88 59.27 3cem h LEU 740 Cb 0.63 0.33 -0.10 0.00 0.37 0.00 0.00 40.66 41.89 3cem h LEU 740 CO -0.49 -0.51 -0.41 0.58 -0.34 0.00 0.00 178.44 177.27 3cem h VAL 741 N -0.76 0.12 -0.94 1.05 2.07 -1.21 0.23 116.25 116.80 3cem h VAL 741 Ca -0.03 0.00 0.03 0.00 0.82 0.00 0.00 66.70 67.52 3cem h VAL 741 Cb 0.68 0.12 -0.05 0.00 -1.52 0.00 0.00 31.29 30.52 3cem h VAL 741 CO -0.06 0.00 0.62 0.40 0.02 0.00 0.00 177.57 178.55 3cem h ILE 742 N -0.24 1.18 -0.56 4.57 1.08 -0.80 -2.60 117.51 120.14 3cem h ILE 742 Ca 0.18 -0.41 -0.08 0.00 -0.39 0.00 0.00 64.86 64.16 3cem h ILE 742 Cb 0.56 -0.13 -0.02 0.00 -3.07 0.00 0.00 36.82 34.17 3cem h ILE 742 CO -0.65 0.22 0.05 0.44 -0.69 0.00 0.00 178.15 177.51 3cem h ASP 743 N 1.20 0.94 -0.63 1.72 3.32 0.24 -1.30 116.42 121.92 3cem h ASP 743 Ca 0.37 -0.28 0.04 0.00 0.02 0.00 0.00 57.03 57.17 3cem h ASP 743 Cb -0.02 -0.25 -0.05 0.00 0.22 0.00 0.00 39.33 39.23 3cem h ASP 743 CO -0.11 0.99 0.36 1.56 -1.72 0.00 0.00 179.24 180.33 3cem h GLN 744 N 0.85 0.68 -0.03 3.56 4.20 -0.40 -2.37 115.11 121.60 3cem h GLN 744 Ca 0.17 -0.04 -0.01 0.00 0.06 0.00 0.00 58.65 58.83 3cem h GLN 744 Cb 0.48 -0.15 -0.00 0.00 0.30 0.00 0.00 27.48 28.11 3cem h GLN 744 CO 0.02 0.45 -0.00 0.82 -0.67 0.00 0.00 178.83 179.44 3cem h ILE 745 N 0.70 1.28 0.00 2.54 2.04 -1.08 -0.52 117.51 122.47 3cem h ILE 745 Ca 0.27 -0.84 -0.00 0.00 1.00 0.00 0.00 64.86 65.28 3cem h ILE 745 Cb 0.10 1.79 -0.00 0.00 -0.74 0.00 0.00 36.82 37.96 3cem h ILE 745 CO -0.14 0.22 -0.02 -0.78 0.00 0.00 0.00 178.15 177.44 3cem h ASP 746 N -0.28 0.00 0.00 1.72 3.58 -1.14 -3.28 116.42 117.02 3cem h ASP 746 Ca 0.01 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.46 3cem h ASP 746 Cb 0.36 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.41 3cem h ASP 746 CO 0.00 0.02 -1.42 0.59 -2.88 0.00 0.00 179.24 175.55 3cem n ASN 747 N -3.18 1.75 0.00 2.28 3.02 -0.90 -4.69 115.26 113.53 3cem n ASN 747 Ca -0.01 -0.14 0.00 0.00 -0.03 0.00 0.00 54.58 54.39 3cem n ASN 747 Cb 0.19 1.49 0.00 0.00 -0.61 0.00 0.00 39.78 40.85 3cem n ASN 747 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3cem n GLY 748 N 1.67 1.09 0.23 7.41 0.00 -0.94 -4.78 105.19 109.88 3cem n GLY 748 Ca -0.02 0.00 -0.00 0.00 0.00 0.00 0.00 46.02 46.00 3cem n GLY 748 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 3cem h PHE 749 N 0.00 -0.22 0.00 1.61 3.57 -1.38 -0.78 116.94 119.74 3cem h PHE 749 Ca 0.00 0.05 0.00 0.00 3.53 0.00 0.00 57.97 61.55 3cem h PHE 749 Cb 0.00 0.19 0.00 0.00 2.79 0.00 0.00 35.95 38.93 3cem h PHE 749 CO 0.00 -0.23 -0.55 1.19 -2.23 0.00 0.00 178.31 176.49 3cem n PHE 750 N -5.37 0.39 -3.26 0.41 3.72 -1.25 -4.32 117.46 107.77 3cem n PHE 750 Ca 0.08 0.11 -0.25 0.00 -0.05 0.00 0.00 57.45 57.34 3cem n PHE 750 Cb 0.33 -0.55 -0.07 0.00 -0.94 0.00 0.00 39.48 38.25 3cem n PHE 750 CO 0.00 0.00 0.00 -1.13 -0.05 0.00 0.00 176.76 175.58 3cem n SER 751 N -1.92 1.35 0.09 4.37 3.41 -0.80 -4.71 113.62 115.41 3cem n SER 751 Ca 0.04 -2.94 -0.14 0.00 -0.26 0.00 0.00 58.87 55.57 3cem n SER 751 Cb 0.41 -0.65 -0.07 0.00 -0.26 0.00 0.00 64.21 63.64 3cem n SER 751 CO 0.00 0.00 0.00 1.55 -0.16 0.00 0.00 175.04 176.43 3cem h PRO 752 N 4.05 -0.58 -0.12 4.33 0.13 -1.36 0.21 132.00 138.67 3cem h PRO 752 Ca 0.11 0.04 0.03 0.00 -0.87 0.00 0.00 66.00 65.32 3cem h PRO 752 Cb 0.81 0.13 -0.00 0.00 0.13 0.00 0.00 31.00 32.07 3cem h PRO 752 CO 0.58 -0.39 0.42 0.87 -0.23 0.00 0.00 178.00 179.26 3cem h LYS 753 N -0.61 0.00 -1.94 0.86 1.79 -1.95 -3.22 116.57 111.50 3cem h LYS 753 Ca 0.04 0.00 -0.47 0.00 -2.18 0.00 0.00 60.65 58.03 3cem h LYS 753 Cb 0.66 0.00 -0.40 0.00 -1.58 0.00 0.00 32.23 30.91 3cem h LYS 753 CO -0.28 0.00 -1.19 1.04 -1.08 0.00 0.00 179.45 177.94 3cem n GLN 754 N -3.06 1.00 0.29 3.15 6.02 0.69 -5.02 117.38 120.45 3cem n GLN 754 Ca 0.01 -3.39 0.16 0.00 -0.01 0.00 0.00 57.00 53.78 3cem n GLN 754 Cb 0.50 -1.69 0.82 0.00 1.02 0.00 0.00 30.24 30.90 3cem n GLN 754 CO 0.00 0.00 0.00 -1.35 -1.01 0.00 0.00 177.06 174.70 3cem h PRO 755 N 3.00 0.00 -0.43 -1.09 0.11 -1.38 0.25 132.00 132.47 3cem h PRO 755 Ca 0.09 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.20 3cem h PRO 755 Cb 0.98 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.09 3cem h PRO 755 CO 0.50 0.00 0.00 -0.25 -0.21 0.00 0.00 178.00 178.04 3cem n ASP 756 N -3.06 2.44 -0.28 -2.05 8.00 -1.26 -3.46 116.55 116.87 3cem n ASP 756 Ca -0.00 -1.97 0.08 0.00 0.71 0.00 0.00 54.79 53.61 3cem n ASP 756 Cb 0.41 -0.28 0.19 0.00 -0.02 0.00 0.00 41.12 41.42 3cem n ASP 756 CO 0.00 0.00 0.00 0.25 -0.39 0.00 0.00 177.20 177.06 3cem h LEU 757 N 2.74 -0.36 -2.85 0.64 5.85 -0.81 -2.33 115.31 118.19 3cem h LEU 757 Ca 0.00 0.22 0.00 0.00 0.84 0.00 0.00 57.88 58.94 3cem h LEU 757 Cb 0.62 0.38 0.00 0.00 0.37 0.00 0.00 40.66 42.03 3cem h LEU 757 CO 0.00 -0.22 0.00 0.49 -0.34 0.00 0.00 178.44 178.37 3cem n PHE 758 N -5.37 1.50 -0.24 1.25 3.72 -1.26 -4.58 117.46 112.47 3cem n PHE 758 Ca 0.16 -0.53 0.05 0.00 -0.05 0.00 0.00 57.45 57.08 3cem n PHE 758 Cb 0.55 -0.36 0.16 0.00 -0.94 0.00 0.00 39.48 38.88 3cem n PHE 758 CO 0.00 0.00 0.00 -0.22 -0.05 0.00 0.00 176.76 176.49 3cem h LYS 759 N 3.11 0.18 -0.15 -1.08 1.63 -1.76 -1.12 116.57 117.38 3cem h LYS 759 Ca 0.00 -0.01 -0.09 0.00 -0.85 0.00 0.00 60.65 59.70 3cem h LYS 759 Cb 1.53 -0.04 -0.01 0.00 -0.60 0.00 0.00 32.23 33.10 3cem h LYS 759 CO 0.33 0.12 -0.29 -0.44 -3.45 0.00 0.00 179.45 175.72 3cem h ASP 760 N 0.19 0.28 0.59 4.20 3.32 -1.85 0.12 116.42 123.26 3cem h ASP 760 Ca 0.40 -0.09 -0.03 0.00 0.02 0.00 0.00 57.03 57.33 3cem h ASP 760 Cb 0.69 -0.08 0.01 0.00 0.22 0.00 0.00 39.33 40.17 3cem h ASP 760 CO -0.56 0.57 -0.28 0.40 -1.72 0.00 0.00 179.24 177.65 3cem h ILE 761 N 0.25 0.00 -0.64 0.35 2.04 -1.57 -1.22 117.51 116.71 3cem h ILE 761 Ca 0.04 -0.11 0.12 0.00 1.00 0.00 0.00 64.86 65.91 3cem h ILE 761 Cb 0.65 0.00 -0.12 0.00 -0.74 0.00 0.00 36.82 36.61 3cem h ILE 761 CO 0.05 0.00 -0.30 0.40 0.00 0.00 0.00 178.15 178.30 3cem h ILE 762 N -0.90 0.19 -0.63 -0.67 1.08 -1.40 0.22 117.51 115.40 3cem h ILE 762 Ca -0.08 0.00 0.10 0.00 -0.39 0.00 0.00 64.86 64.49 3cem h ILE 762 Cb 0.61 0.19 -0.12 0.00 -3.07 0.00 0.00 36.82 34.43 3cem h ILE 762 CO 0.13 0.00 -0.38 -1.13 -0.69 0.00 0.00 178.15 176.08 3cem h ASN 763 N -0.11 -1.32 -0.39 1.72 -0.73 -0.78 -0.12 115.58 113.85 3cem h ASN 763 Ca 0.27 0.24 -0.09 0.00 1.87 0.00 0.00 56.30 58.59 3cem h ASN 763 Cb 0.55 0.63 -0.01 0.00 0.27 0.00 0.00 38.32 39.76 3cem h ASN 763 CO -0.71 -0.31 -0.11 -0.03 -0.37 0.00 0.00 177.43 175.89 3cem h MET 764 N -0.17 0.76 -0.98 6.67 4.05 0.40 -1.24 114.93 124.42 3cem h MET 764 Ca 0.22 -0.30 0.06 0.00 -0.28 0.00 0.00 59.70 59.40 3cem h MET 764 Cb 0.56 -0.04 -0.06 0.00 -0.80 0.00 0.00 31.60 31.26 3cem h MET 764 CO -0.71 0.91 0.63 -0.07 0.23 0.00 0.00 176.91 177.90 3cem h LEU 765 N 0.57 1.02 0.14 3.39 3.38 -0.33 0.10 115.31 123.59 3cem h LEU 765 Ca 0.10 0.00 -0.29 0.00 0.09 0.00 0.00 57.88 57.78 3cem h LEU 765 Cb 0.64 -0.21 0.01 0.00 0.09 0.00 0.00 40.66 41.18 3cem h LEU 765 CO 0.04 0.66 -1.35 -0.26 0.09 0.00 0.00 178.44 177.63 3cem h PHE 766 N 1.17 0.55 0.00 1.13 -1.00 -0.77 -3.40 116.94 114.62 3cem h PHE 766 Ca 0.41 -0.40 0.00 0.00 2.81 0.00 0.00 57.97 60.79 3cem h PHE 766 Cb 0.12 -0.02 0.00 0.00 3.61 0.00 0.00 35.95 39.66 3cem h PHE 766 CO -0.01 1.35 -0.41 0.66 -1.61 0.00 0.00 178.31 178.29 3cem n TYR 767 N -3.54 0.00 -2.37 -0.55 4.02 -0.49 -4.28 117.16 109.94 3cem n TYR 767 Ca -0.12 0.00 0.03 0.00 -0.01 0.00 0.00 57.90 57.80 3cem n TYR 767 Cb 1.04 0.00 0.01 0.00 -0.02 0.00 0.00 39.34 40.37 3cem n TYR 767 CO 0.00 0.00 0.00 0.72 -1.01 0.00 0.00 176.86 176.57 3cem n HIS 768 N -0.99 0.00 -2.93 -0.72 8.25 0.15 -5.04 115.22 113.94 3cem n HIS 768 Ca 0.00 -0.38 -0.44 0.00 -0.26 0.00 0.00 57.72 56.64 3cem n HIS 768 Cb 0.00 -0.11 -0.03 0.00 1.12 0.00 0.00 29.99 30.96 3cem n HIS 768 CO 0.00 0.00 0.00 0.34 0.64 0.00 0.00 176.34 177.32 3cem s ASP 769 N -1.74 6.45 0.22 0.41 2.15 -0.02 -4.86 116.67 119.29 3cem s ASP 769 Ca 0.25 -1.68 0.14 0.00 0.43 0.00 0.00 52.55 51.69 3cem s ASP 769 Cb 0.29 -2.39 0.76 0.00 -0.30 0.00 0.00 42.92 41.28 3cem s ASP 769 CO -0.13 -1.17 1.41 0.54 -0.17 0.00 0.00 175.17 175.65 3cem n ARG 770 N 6.83 0.09 -0.09 4.34 1.74 -1.26 -2.76 116.66 125.54 3cem n ARG 770 Ca 0.12 0.58 0.04 0.00 -0.77 0.00 0.00 57.85 57.82 3cem n ARG 770 Cb 0.47 -1.84 0.08 0.00 -1.02 0.00 0.00 32.46 30.15 3cem n ARG 770 CO 0.00 0.00 0.00 1.19 -1.52 0.00 0.00 177.63 177.30 3cem n PHE 771 N -1.99 0.23 -3.76 -1.55 3.72 -1.26 -5.02 117.46 107.83 3cem n PHE 771 Ca -0.01 -0.39 -0.27 0.00 -0.05 0.00 0.00 57.45 56.72 3cem n PHE 771 Cb 0.06 -0.03 0.02 0.00 -0.94 0.00 0.00 39.48 38.60 3cem n PHE 771 CO 0.00 0.00 0.00 1.63 -0.05 0.00 0.00 176.76 178.34 3cem n LYS 772 N 0.20 -2.59 0.26 -1.08 5.02 -1.11 -4.77 118.16 114.09 3cem n LYS 772 Ca 0.07 0.48 -0.16 0.00 -2.02 0.00 0.00 58.31 56.68 3cem n LYS 772 Cb 0.32 -4.49 -0.08 0.00 -0.02 0.00 0.00 35.03 30.77 3cem n LYS 772 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 3cem h VAL 773 N -1.85 0.33 -0.49 -0.18 2.07 -1.94 -2.73 116.25 111.46 3cem h VAL 773 Ca -0.64 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 66.87 3cem h VAL 773 Cb 1.36 0.33 -0.02 0.00 -1.52 0.00 0.00 31.29 31.44 3cem h VAL 773 CO 0.54 0.00 0.28 -0.26 0.02 0.00 0.00 177.57 178.15 3cem h PHE 774 N -0.75 0.64 0.00 1.57 0.05 -1.92 -1.58 116.94 114.95 3cem h PHE 774 Ca -0.04 0.00 0.00 0.00 3.82 0.00 0.00 57.97 61.75 3cem h PHE 774 Cb 0.64 -0.21 0.00 0.00 2.00 0.00 0.00 35.95 38.38 3cem h PHE 774 CO -0.14 0.44 0.00 0.00 -0.18 0.00 0.00 178.31 178.43 3cem h ALA 775 N 1.64 1.00 -0.01 2.45 0.00 -1.86 -1.92 119.26 120.56 3cem h ALA 775 Ca 0.18 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.09 3cem h ALA 775 Cb -0.00 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.79 3cem h ALA 775 CO -0.03 0.00 -0.04 -0.25 0.00 0.00 0.00 179.25 178.93 3cem n ASP 776 N -2.78 1.30 -0.17 0.00 8.00 -0.64 -4.71 116.55 117.56 3cem n ASP 776 Ca -0.02 -1.15 -0.02 0.00 0.71 0.00 0.00 54.79 54.31 3cem n ASP 776 Cb 0.06 0.15 0.08 0.00 -0.02 0.00 0.00 41.12 41.39 3cem n ASP 776 CO 0.00 0.00 0.00 0.22 -0.39 0.00 0.00 177.20 177.03 3cem h TYR 777 N 0.99 0.26 0.09 1.24 3.20 -0.87 -1.28 116.97 120.59 3cem h TYR 777 Ca 0.00 0.03 -0.00 0.00 3.14 0.00 0.00 58.73 61.90 3cem h TYR 777 Cb 0.23 -0.03 0.00 0.00 1.54 0.00 0.00 36.73 38.46 3cem h TYR 777 CO 0.00 0.04 -0.04 1.49 -1.64 0.00 0.00 178.16 178.01 3cem h GLU 778 N 0.31 -0.11 -0.69 1.82 4.81 -1.84 -0.09 114.58 118.78 3cem h GLU 778 Ca 0.27 0.01 0.05 0.00 -0.13 0.00 0.00 59.36 59.56 3cem h GLU 778 Cb 0.35 0.03 -0.04 0.00 0.63 0.00 0.00 28.75 29.71 3cem h GLU 778 CO -0.31 0.40 0.45 0.00 -0.73 0.00 0.00 179.01 178.82 3cem h ALA 779 N 0.05 1.69 -0.08 2.92 0.00 -1.88 -1.54 119.26 120.43 3cem h ALA 779 Ca -0.01 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.86 3cem h ALA 779 Cb 0.57 -0.20 -0.00 0.00 0.00 0.00 0.00 17.79 18.16 3cem h ALA 779 CO 0.02 0.21 0.02 -0.92 0.00 0.00 0.00 179.25 178.58 3cem h TYR 780 N 0.74 0.14 -0.39 0.00 3.20 -1.10 -1.16 116.97 118.40 3cem h TYR 780 Ca 0.29 -0.02 -0.07 0.00 3.14 0.00 0.00 58.73 62.07 3cem h TYR 780 Cb 0.20 -0.04 -0.02 0.00 1.54 0.00 0.00 36.73 38.41 3cem h TYR 780 CO -0.00 0.33 -0.05 0.28 -1.64 0.00 0.00 178.16 177.07 3cem h VAL 781 N -0.08 1.23 -0.05 1.81 2.07 -0.77 -0.23 116.25 120.23 3cem h VAL 781 Ca 0.03 -0.99 -0.01 0.00 0.82 0.00 0.00 66.70 66.55 3cem h VAL 781 Cb 0.26 0.99 -0.00 0.00 -1.52 0.00 0.00 31.29 31.02 3cem h VAL 781 CO 0.00 0.34 0.00 0.11 0.02 0.00 0.00 177.57 178.04 3cem h LYS 782 N 0.60 0.08 -0.74 1.57 1.57 -1.26 -2.60 116.57 115.80 3cem h LYS 782 Ca 0.12 -0.02 0.17 0.00 -1.87 0.00 0.00 60.65 59.04 3cem h LYS 782 Cb 0.46 -0.01 -0.12 0.00 0.08 0.00 0.00 32.23 32.64 3cem h LYS 782 CO 0.02 0.34 0.07 0.00 -0.57 0.00 0.00 179.45 179.31 3cem h GLN 784 N 0.16 1.13 -0.42 0.00 1.08 -0.82 -1.64 115.11 114.60 3cem h GLN 784 Ca 0.41 -0.15 0.04 0.00 -1.45 0.00 0.00 58.65 57.51 3cem h GLN 784 Cb 0.72 -0.21 -0.04 0.00 -0.05 0.00 0.00 27.48 27.89 3cem h GLN 784 CO -0.60 0.86 0.17 -0.44 -0.95 0.00 0.00 178.83 177.87 3cem h ASP 785 N 1.13 0.21 -0.89 1.46 3.32 -1.03 0.82 116.42 121.44 3cem h ASP 785 Ca 0.28 0.04 0.10 0.00 0.02 0.00 0.00 57.03 57.47 3cem h ASP 785 Cb 0.08 0.01 -0.08 0.00 0.22 0.00 0.00 39.33 39.56 3cem h ASP 785 CO -0.04 0.16 0.53 0.11 -1.72 0.00 0.00 179.24 178.28 3cem h LYS 786 N 0.35 0.84 -0.09 3.56 1.57 -0.83 -1.42 116.57 120.56 3cem h LYS 786 Ca 0.19 -0.05 -0.00 0.00 -1.87 0.00 0.00 60.65 58.92 3cem h LYS 786 Cb 0.15 -0.19 -0.00 0.00 0.08 0.00 0.00 32.23 32.26 3cem h LYS 786 CO -0.17 0.56 0.05 0.28 -0.57 0.00 0.00 179.45 179.59 3cem h VAL 787 N 0.87 1.09 -0.68 0.50 2.07 -0.35 -1.91 116.25 117.85 3cem h VAL 787 Ca 0.44 -0.27 0.03 0.00 0.82 0.00 0.00 66.70 67.72 3cem h VAL 787 Cb 0.41 1.11 -0.04 0.00 -1.52 0.00 0.00 31.29 31.26 3cem h VAL 787 CO -0.26 0.08 0.45 0.28 0.02 0.00 0.00 177.57 178.15 3cem h SER 788 N 0.04 0.72 1.24 0.57 0.02 -0.40 -2.67 113.55 113.07 3cem h SER 788 Ca 0.03 -0.01 -0.15 0.00 -0.84 0.00 0.00 61.79 60.82 3cem h SER 788 Cb 0.09 -0.17 -0.02 0.00 0.14 0.00 0.00 62.40 62.44 3cem h SER 788 CO -0.00 0.50 -0.78 0.06 -1.14 0.00 0.00 176.83 175.47 3cem h GLN 789 N 0.83 0.00 0.00 3.45 3.07 -1.10 -3.15 115.11 118.21 3cem h GLN 789 Ca 0.27 0.00 -0.05 0.00 0.09 0.00 0.00 58.65 58.96 3cem h GLN 789 Cb 0.04 0.00 -0.01 0.00 0.08 0.00 0.00 27.48 27.59 3cem h GLN 789 CO -0.07 0.62 -0.25 1.25 0.09 0.00 0.00 178.83 180.47 3cem h LEU 790 N 0.00 0.00 -0.31 0.06 5.85 -1.03 -3.25 115.31 116.64 3cem h LEU 790 Ca -0.03 0.00 -0.10 0.00 0.84 0.00 0.00 57.88 58.58 3cem h LEU 790 Cb 1.54 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 42.55 3cem h LEU 790 CO 0.08 0.25 -0.50 0.22 -0.34 0.00 0.00 178.44 178.15 3cem h TYR 791 N 0.00 0.00 0.00 1.25 3.20 -1.44 -1.62 116.97 118.37 3cem h TYR 791 Ca -0.00 0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.87 3cem h TYR 791 Cb 0.53 0.00 0.00 0.00 1.54 0.00 0.00 36.73 38.80 3cem h TYR 791 CO 0.00 0.50 0.00 0.52 -1.64 0.00 0.00 178.16 177.54 3cem h MET 792 N 0.00 0.00 -3.52 1.82 2.86 -1.61 -3.35 114.93 111.13 3cem h MET 792 Ca -0.00 0.00 -0.71 0.00 -2.06 0.00 0.00 59.70 56.93 3cem h MET 792 Cb 1.26 0.00 -0.35 0.00 0.06 0.00 0.00 31.60 32.57 3cem h MET 792 CO 0.06 0.00 -0.26 1.21 1.06 0.00 0.00 176.91 178.99 3cem s ASN 793 N -4.48 5.54 0.30 1.22 3.84 -0.61 -4.97 114.94 115.78 3cem s ASN 793 Ca 0.02 -3.07 0.05 0.00 0.21 0.00 0.00 52.86 50.07 3cem s ASN 793 Cb 0.09 -1.90 0.76 0.00 -0.55 0.00 0.00 41.25 39.65 3cem s ASN 793 CO 0.38 -0.34 1.70 -0.65 -2.79 0.00 0.00 177.10 175.40 3cem h PRO 794 N 6.82 0.40 -0.25 0.43 0.11 -1.78 -1.05 132.00 136.67 3cem h PRO 794 Ca 0.04 -0.02 -0.15 0.00 0.11 0.00 0.00 66.00 65.98 3cem h PRO 794 Cb 0.92 -0.09 -0.01 0.00 0.11 0.00 0.00 31.00 31.94 3cem h PRO 794 CO 0.75 0.27 -0.45 -0.22 -0.21 0.00 0.00 178.00 178.14 3cem h LYS 795 N 0.41 0.63 0.13 1.05 3.64 -1.93 -1.67 116.57 118.84 3cem h LYS 795 Ca 0.58 -0.35 -0.20 0.00 -1.27 0.00 0.00 60.65 59.41 3cem h LYS 795 Cb 1.11 0.02 0.02 0.00 -0.41 0.00 0.00 32.23 32.97 3cem h LYS 795 CO -0.53 0.95 -0.87 0.00 -2.27 0.00 0.00 179.45 176.73 3cem h ALA 796 N 0.99 -0.07 -0.33 5.00 0.00 -1.69 -1.86 119.26 121.31 3cem h ALA 796 Ca 0.03 -0.70 0.04 0.00 0.00 0.00 0.00 54.91 54.28 3cem h ALA 796 Cb 0.98 0.10 -0.07 0.00 0.00 0.00 0.00 17.79 18.80 3cem h ALA 796 CO 0.09 0.42 -0.46 2.35 0.00 0.00 0.00 179.25 181.65 3cem h TRP 797 N -0.26 -1.39 0.00 0.00 2.91 -1.27 -1.63 115.95 114.30 3cem h TRP 797 Ca -0.15 0.07 0.00 0.00 1.13 0.00 0.00 58.89 59.94 3cem h TRP 797 Cb 1.66 0.65 0.00 0.00 -0.51 0.00 0.00 29.16 30.96 3cem h TRP 797 CO 0.18 -0.40 0.00 -0.91 -1.03 0.00 0.00 178.44 176.28 3cem h ASN 798 N -0.33 0.00 -0.05 2.65 2.35 -1.38 -1.07 115.58 117.75 3cem h ASN 798 Ca 0.06 0.00 -0.13 0.00 -0.55 0.00 0.00 56.30 55.68 3cem h ASN 798 Cb 0.49 0.00 0.01 0.00 0.05 0.00 0.00 38.32 38.87 3cem h ASN 798 CO -0.48 0.00 -0.46 0.74 -1.65 0.00 0.00 177.43 175.57 3cem h THR 799 N 0.00 1.42 -0.68 2.81 2.02 -0.85 -1.98 112.91 115.65 3cem h THR 799 Ca 0.00 -1.90 -0.06 0.00 0.77 0.00 0.00 66.41 65.21 3cem h THR 799 Cb 0.25 2.43 -0.03 0.00 -1.74 0.00 0.00 68.15 69.07 3cem h THR 799 CO 0.00 0.55 0.18 -0.03 0.37 0.00 0.00 175.52 176.59 3cem h MET 800 N -0.10 1.08 -0.58 6.66 1.85 -0.45 -2.72 114.93 120.68 3cem h MET 800 Ca -0.04 -0.26 0.06 0.00 -0.61 0.00 0.00 59.70 58.85 3cem h MET 800 Cb 1.15 -0.15 -0.06 0.00 0.43 0.00 0.00 31.60 32.97 3cem h MET 800 CO 0.09 0.96 0.28 0.28 -0.40 0.00 0.00 176.91 178.12 3cem h VAL 801 N 1.02 0.90 -0.82 -5.77 2.07 -1.23 -0.52 116.25 111.90 3cem h VAL 801 Ca 0.22 -0.18 0.04 0.00 0.82 0.00 0.00 66.70 67.59 3cem h VAL 801 Cb 0.35 0.34 -0.05 0.00 -1.52 0.00 0.00 31.29 30.41 3cem h VAL 801 CO 0.00 0.10 0.52 0.25 0.02 0.00 0.00 177.57 178.46 3cem h LEU 802 N 0.52 0.86 -0.85 2.57 5.85 -1.16 -1.17 115.31 121.93 3cem h LEU 802 Ca 0.27 -0.00 -0.12 0.00 0.84 0.00 0.00 57.88 58.87 3cem h LEU 802 Cb 0.22 -0.19 -0.01 0.00 0.37 0.00 0.00 40.66 41.05 3cem h LEU 802 CO -0.21 0.59 -0.49 0.11 -0.34 0.00 0.00 178.44 178.10 3cem h LYS 803 N 1.01 0.20 0.00 1.25 1.57 -1.06 -1.27 116.57 118.27 3cem h LYS 803 Ca 0.33 -0.11 -0.00 0.00 -1.87 0.00 0.00 60.65 59.00 3cem h LYS 803 Cb 0.03 0.01 0.00 0.00 0.08 0.00 0.00 32.23 32.34 3cem h LYS 803 CO -0.12 0.65 -0.00 -0.91 -0.57 0.00 0.00 179.45 178.50 3cem h ASN 804 N 0.16 -0.01 -0.32 0.86 2.35 -0.51 -2.77 115.58 115.35 3cem h ASN 804 Ca 0.01 -0.16 -0.03 0.00 -0.55 0.00 0.00 56.30 55.57 3cem h ASN 804 Cb 0.93 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 39.28 3cem h ASN 804 CO 0.07 0.16 0.09 0.40 -1.65 0.00 0.00 177.43 176.51 3cem h ILE 805 N -0.17 1.21 0.00 2.81 2.04 -1.08 -2.05 117.51 120.27 3cem h ILE 805 Ca -0.00 -0.68 0.00 0.00 1.00 0.00 0.00 64.86 65.18 3cem h ILE 805 Cb 0.17 1.05 0.00 0.00 -0.74 0.00 0.00 36.82 37.30 3cem h ILE 805 CO 0.00 0.23 0.00 0.00 0.00 0.00 0.00 178.15 178.38 3cem h ALA 806 N 0.93 1.00 -0.02 1.87 0.00 -1.34 -2.25 119.26 119.45 3cem h ALA 806 Ca 0.10 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.01 3cem h ALA 806 Cb 0.26 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.05 3cem h ALA 806 CO -0.00 0.00 -0.31 0.00 0.00 0.00 0.00 179.25 178.94 3cem n ALA 807 N -2.00 3.18 1.14 0.00 0.00 -0.80 -2.92 120.51 119.09 3cem n ALA 807 Ca -0.01 -0.60 0.14 0.00 0.00 0.00 0.00 53.44 52.96 3cem n ALA 807 Cb 0.13 -0.88 0.61 0.00 0.00 0.00 0.00 19.45 19.32 3cem n ALA 807 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 3cem n SER 808 N 0.19 0.09 -0.33 0.00 3.41 -0.85 -4.20 113.62 111.93 3cem n SER 808 Ca 0.11 0.18 0.18 0.00 -0.26 0.00 0.00 58.87 59.08 3cem n SER 808 Cb 0.47 -0.33 0.35 0.00 -0.26 0.00 0.00 64.21 64.44 3cem n SER 808 CO 0.00 0.00 0.00 1.23 -0.16 0.00 0.00 175.04 176.11 3cem h GLY 809 N 5.00 1.48 1.69 5.00 0.00 -1.78 -0.19 103.07 114.27 3cem h GLY 809 Ca 0.00 0.06 0.00 0.00 0.00 0.00 0.00 47.33 47.39 3cem h GLY 809 CO 0.00 -0.56 0.15 1.70 0.00 0.00 0.00 176.54 177.84 3cem h LYS 810 N 0.04 0.00 -0.22 4.80 3.64 -1.88 -2.54 116.57 120.40 3cem h LYS 810 Ca 0.65 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 60.03 3cem h LYS 810 Cb 1.43 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.25 3cem h LYS 810 CO -0.85 0.00 0.00 1.19 -2.27 0.00 0.00 179.45 177.52 3cem n PHE 811 N -2.94 0.28 -1.99 1.91 3.72 -0.08 -4.69 117.46 113.66 3cem n PHE 811 Ca -0.02 -0.14 -0.42 0.00 -0.05 0.00 0.00 57.45 56.82 3cem n PHE 811 Cb 0.21 0.00 -0.03 0.00 -0.94 0.00 0.00 39.48 38.72 3cem n PHE 811 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 176.76 177.16 3cem s SER 812 N -1.66 6.64 0.65 4.37 0.15 -0.96 0.01 113.70 122.91 3cem s SER 812 Ca 0.35 2.55 0.31 0.00 0.70 0.00 0.00 55.95 59.87 3cem s SER 812 Cb 0.21 -2.59 1.71 0.00 -1.71 0.00 0.00 66.02 63.63 3cem s SER 812 CO 0.30 -0.78 1.98 0.77 1.20 0.00 0.00 173.24 176.72 3cem h SER 813 N 6.67 0.00 -0.59 5.45 4.64 -0.44 -1.94 113.55 127.33 3cem h SER 813 Ca -0.43 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 60.87 3cem h SER 813 Cb 1.21 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 63.27 3cem h SER 813 CO 0.89 0.00 0.27 0.44 -0.87 0.00 0.00 176.83 177.57 3cem h ASP 814 N 0.00 0.79 0.27 4.97 3.45 -1.90 0.42 116.42 124.42 3cem h ASP 814 Ca 0.03 -0.14 -0.01 0.00 0.43 0.00 0.00 57.03 57.33 3cem h ASP 814 Cb 0.63 -0.20 0.00 0.00 -0.56 0.00 0.00 39.33 39.20 3cem h ASP 814 CO -0.00 0.71 -0.13 -0.09 -1.57 0.00 0.00 179.24 178.16 3cem h ARG 815 N 0.81 -0.35 -0.57 3.56 1.12 -1.67 -1.12 114.38 116.16 3cem h ARG 815 Ca 0.20 0.02 0.10 0.00 -1.11 0.00 0.00 59.98 59.20 3cem h ARG 815 Cb 0.14 0.08 -0.11 0.00 -0.01 0.00 0.00 29.97 30.07 3cem h ARG 815 CO -0.02 -0.18 -0.35 1.15 -3.11 0.00 0.00 179.97 177.46 3cem h THR 816 N -0.43 0.16 -0.25 0.20 2.02 -1.40 -2.53 112.91 110.68 3cem h THR 816 Ca -0.04 0.00 -0.03 0.00 0.77 0.00 0.00 66.41 67.11 3cem h THR 816 Cb 0.33 0.16 -0.01 0.00 -1.74 0.00 0.00 68.15 66.89 3cem h THR 816 CO 0.06 0.00 0.03 0.40 0.37 0.00 0.00 175.52 176.38 3cem h ILE 817 N -0.18 1.23 -0.88 3.11 1.08 -0.64 -2.09 117.51 119.15 3cem h ILE 817 Ca 0.22 -0.80 0.21 0.00 -0.39 0.00 0.00 64.86 64.10 3cem h ILE 817 Cb 0.55 1.27 -0.12 0.00 -3.07 0.00 0.00 36.82 35.45 3cem h ILE 817 CO -0.67 0.25 0.36 0.11 -0.69 0.00 0.00 178.15 177.52 3cem h LYS 818 N 0.23 0.37 -0.12 2.37 1.57 -1.01 0.16 116.57 120.14 3cem h LYS 818 Ca 0.08 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.83 3cem h LYS 818 Cb 0.35 -0.08 -0.01 0.00 0.08 0.00 0.00 32.23 32.57 3cem h LYS 818 CO 0.01 0.25 0.08 0.93 -0.57 0.00 0.00 179.45 180.14 3cem h GLU 819 N 0.39 0.16 -0.59 3.15 5.08 -0.97 -0.06 114.58 121.72 3cem h GLU 819 Ca 0.54 -0.01 -0.00 0.00 -1.00 0.00 0.00 59.36 58.89 3cem h GLU 819 Cb 1.01 -0.04 -0.03 0.00 0.50 0.00 0.00 28.75 30.19 3cem h GLU 819 CO -0.53 0.11 0.36 1.88 -1.00 0.00 0.00 179.01 179.83 3cem h TYR 820 N 0.16 0.78 0.12 4.33 0.05 -0.74 -1.66 116.97 120.00 3cem h TYR 820 Ca 0.04 -0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.82 3cem h TYR 820 Cb -0.01 -0.26 -0.01 0.00 1.01 0.00 0.00 36.73 37.46 3cem h TYR 820 CO -0.07 0.53 -0.11 0.00 -1.05 0.00 0.00 178.16 177.47 3cem h ALA 821 N 1.18 -0.22 0.00 3.88 0.00 -0.39 0.15 119.26 123.85 3cem h ALA 821 Ca 0.21 -0.03 -0.12 0.00 0.00 0.00 0.00 54.91 54.97 3cem h ALA 821 Cb -0.02 0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.91 3cem h ALA 821 CO -0.04 -0.64 -0.55 0.37 0.00 0.00 0.00 179.25 178.39 3cem h GLN 822 N -0.25 0.00 -0.00 0.00 4.15 -0.94 -0.20 115.11 117.86 3cem h GLN 822 Ca 0.00 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.42 3cem h GLN 822 Cb 0.23 0.00 0.00 0.00 0.21 0.00 0.00 27.48 27.92 3cem h GLN 822 CO -0.02 0.55 -0.24 0.09 -1.93 0.00 0.00 178.83 177.28 3cem n ASN 823 N -3.40 0.82 0.01 -0.69 3.02 -0.63 -4.54 115.26 109.84 3cem n ASN 823 Ca 0.01 -0.91 0.00 0.00 -0.03 0.00 0.00 54.58 53.64 3cem n ASN 823 Cb 0.68 0.66 0.00 0.00 -0.61 0.00 0.00 39.78 40.51 3cem n ASN 823 CO 0.00 0.00 0.00 -0.38 -2.62 0.00 0.00 177.26 174.26 3cem n ILE 824 N -0.61 0.07 0.13 2.41 5.41 0.40 -4.86 119.36 122.32 3cem n ILE 824 Ca 0.03 0.02 0.07 0.00 1.00 0.00 0.00 62.75 63.87 3cem n ILE 824 Cb 0.15 -1.14 0.04 0.00 -0.71 0.00 0.00 39.64 37.98 3cem n ILE 824 CO 0.00 0.00 0.00 -0.50 0.00 0.00 0.00 176.55 176.05 3cem h TRP 825 N 0.00 0.00 -5.87 1.39 6.55 -1.32 -3.49 115.95 113.21 3cem h TRP 825 Ca 0.00 0.00 -0.38 0.00 0.95 0.00 0.00 58.89 59.46 3cem h TRP 825 Cb 0.58 0.00 0.11 0.00 -0.86 0.00 0.00 29.16 28.99 3cem h TRP 825 CO 0.00 0.23 -0.79 -1.71 -1.05 0.00 0.00 178.44 175.12 3cem n ASN 826 N -2.98 -1.96 -4.49 -3.49 4.05 -0.12 -4.91 115.26 101.36 3cem n ASN 826 Ca -0.00 -0.71 -0.23 0.00 0.45 0.00 0.00 54.58 54.09 3cem n ASN 826 Cb 0.64 -4.62 -0.11 0.00 1.23 0.00 0.00 39.78 36.93 3cem n ASN 826 CO 0.00 0.00 0.00 0.68 -3.05 0.00 0.00 177.26 174.89 3cem s VAL 827 N -3.49 1.53 -0.06 3.44 -7.23 -1.00 -4.97 120.40 108.63 3cem s VAL 827 Ca 0.05 -2.03 0.04 0.00 -1.81 0.00 0.00 61.98 58.24 3cem s VAL 827 Cb -0.02 -2.78 -0.00 0.00 0.56 0.00 0.00 36.38 34.13 3cem s VAL 827 CO 0.77 -0.07 -0.19 -1.61 -0.31 0.00 0.00 175.10 173.70 3cem s GLU 828 N -3.80 2.06 0.57 4.82 2.02 -1.26 -4.18 118.70 118.94 3cem s GLU 828 Ca 0.35 -0.66 -0.20 0.00 0.02 0.00 0.00 54.97 54.47 3cem s GLU 828 Cb 0.08 -1.73 -0.04 0.00 0.10 0.00 0.00 34.13 32.54 3cem s GLU 828 CO 0.16 0.22 1.27 -2.30 0.02 0.00 0.00 175.26 174.63 3cem n PRO 829 N 3.26 1.42 -0.19 0.39 -0.02 -1.26 -4.76 135.00 133.83 3cem n PRO 829 Ca -0.19 0.53 0.00 0.00 -2.02 0.00 0.00 63.50 61.82 3cem n PRO 829 Cb 0.53 -2.48 0.00 0.00 -0.02 0.00 0.00 33.50 31.52 3cem n PRO 829 CO 0.00 0.00 0.00 -1.13 1.98 0.00 0.00 175.50 176.35 3cem n SER 830 N -1.12 0.00 0.00 2.55 3.41 -0.58 -5.01 113.62 112.87 3cem n SER 830 Ca 0.12 -0.13 0.00 0.00 -0.26 0.00 0.00 58.87 58.60 3cem n SER 830 Cb 0.46 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.41 3cem n SER 830 CO 0.00 0.00 0.00 -0.90 -0.16 0.00 0.00 175.04 173.98