#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 0.00 -1.07 3.44 2.07 -2.00 -1.71 116.25 116.98 3cem h VAL 24 Ca 0.00 0.00 0.33 0.00 0.82 0.00 0.00 66.70 67.85 3cem h VAL 24 Cb 0.00 0.00 -0.14 0.00 -1.52 0.00 0.00 31.29 29.63 3cem h VAL 24 CO 0.00 0.00 0.64 0.00 0.02 0.00 0.00 177.57 178.23 3cem h ALA 25 N -1.50 2.14 0.00 1.67 0.00 -1.99 -1.90 119.26 117.69 3cem h ALA 25 Ca -0.08 0.16 -0.24 0.00 0.00 0.00 0.00 54.91 54.75 3cem h ALA 25 Cb 0.67 0.14 0.01 0.00 0.00 0.00 0.00 17.79 18.61 3cem h ALA 25 CO 0.11 -0.72 -0.97 0.93 0.00 0.00 0.00 179.25 178.59 3cem h GLU 26 N 0.30 0.49 -0.73 0.00 4.39 -1.83 -2.12 114.58 115.07 3cem h GLU 26 Ca 0.73 -0.53 0.00 0.00 0.34 0.00 0.00 59.36 59.90 3cem h GLU 26 Cb 1.81 0.15 -0.04 0.00 -0.10 0.00 0.00 28.75 30.58 3cem h GLU 26 CO -0.52 1.17 0.46 -0.07 -1.16 0.00 0.00 179.01 178.88 3cem h LEU 27 N 0.28 0.85 -0.36 1.33 3.38 -0.87 0.13 115.31 120.05 3cem h LEU 27 Ca -0.09 -0.04 -0.06 0.00 0.09 0.00 0.00 57.88 57.78 3cem h LEU 27 Cb 1.61 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 42.14 3cem h LEU 27 CO 0.18 0.64 -0.02 0.11 0.09 0.00 0.00 178.44 179.44 3cem h LYS 28 N 1.00 0.64 0.04 1.13 1.57 -1.15 0.36 116.57 120.15 3cem h LYS 28 Ca 0.26 -0.21 -0.00 0.00 -1.87 0.00 0.00 60.65 58.83 3cem h LYS 28 Cb -0.07 -0.05 -0.00 0.00 0.08 0.00 0.00 32.23 32.18 3cem h LYS 28 CO -0.05 0.77 -0.02 0.87 -0.57 0.00 0.00 179.45 180.44 3cem h LYS 29 N 0.45 -0.05 -0.32 3.15 1.57 -0.89 -1.38 116.57 119.10 3cem h LYS 29 Ca 0.10 0.00 0.05 0.00 -1.87 0.00 0.00 60.65 58.94 3cem h LYS 29 Cb 0.49 0.01 -0.05 0.00 0.08 0.00 0.00 32.23 32.76 3cem h LYS 29 CO 0.02 -0.03 0.02 0.77 -0.57 0.00 0.00 179.45 179.66 3cem h SER 30 N -0.05 -0.09 -0.35 0.86 0.02 -0.61 0.25 113.55 113.57 3cem h SER 30 Ca -0.00 0.07 0.07 0.00 -0.84 0.00 0.00 61.79 61.08 3cem h SER 30 Cb 0.04 0.12 -0.06 0.00 0.14 0.00 0.00 62.40 62.64 3cem h SER 30 CO 0.01 -0.01 -0.03 0.15 -1.14 0.00 0.00 176.83 175.81 3cem h PHE 31 N 0.11 -0.07 -0.29 3.45 3.04 -0.80 -1.37 116.94 121.01 3cem h PHE 31 Ca 0.16 0.03 -0.05 0.00 3.98 0.00 0.00 57.97 62.08 3cem h PHE 31 Cb 0.20 0.09 -0.02 0.00 2.56 0.00 0.00 35.95 38.78 3cem h PHE 31 CO -0.22 -0.09 -0.03 -0.91 -2.02 0.00 0.00 178.31 175.04 3cem h ASN 32 N 0.06 0.43 -0.50 0.41 -0.26 -0.67 0.08 115.58 115.14 3cem h ASN 32 Ca 0.17 -0.08 -0.11 0.00 -0.56 0.00 0.00 56.30 55.72 3cem h ASN 32 Cb 0.24 -0.11 -0.02 0.00 -1.06 0.00 0.00 38.32 37.37 3cem h ASN 32 CO -0.31 0.52 -0.10 0.03 -1.06 0.00 0.00 177.43 176.50 3cem h ARG 33 N 0.44 0.98 -0.03 0.81 3.08 -0.21 -2.34 114.38 117.11 3cem h ARG 33 Ca 0.09 -0.35 -0.22 0.00 0.07 0.00 0.00 59.98 59.57 3cem h ARG 33 Cb 0.34 -0.07 0.00 0.00 0.08 0.00 0.00 29.97 30.32 3cem h ARG 33 CO 0.01 1.03 -0.89 0.45 -1.07 0.00 0.00 179.97 179.50 3cem h HIS 34 N 0.88 0.65 -0.73 3.04 3.86 -0.75 0.30 115.15 122.40 3cem h HIS 34 Ca 0.14 -0.34 0.08 0.00 -1.16 0.00 0.00 60.37 59.09 3cem h HIS 34 Cb 0.66 -0.08 -0.06 0.00 1.06 0.00 0.00 27.41 28.98 3cem h HIS 34 CO 0.04 1.14 0.40 1.25 0.86 0.00 0.00 177.93 181.63 3cem h LEU 35 N 0.27 0.57 0.09 2.43 5.85 -0.92 0.32 115.31 123.92 3cem h LEU 35 Ca -0.07 0.04 -0.00 0.00 0.84 0.00 0.00 57.88 58.69 3cem h LEU 35 Cb 1.51 -0.07 0.00 0.00 0.37 0.00 0.00 40.66 42.48 3cem h LEU 35 CO 0.16 0.35 -0.04 -0.74 -0.34 0.00 0.00 178.44 177.82 3cem h HIS 36 N 0.70 -0.11 0.06 1.25 2.76 -1.17 -1.81 115.15 116.83 3cem h HIS 36 Ca 0.34 -0.00 -0.29 0.00 -2.20 0.00 0.00 60.37 58.22 3cem h HIS 36 Cb 0.28 0.04 -0.03 0.00 1.55 0.00 0.00 27.41 29.25 3cem h HIS 36 CO -0.08 0.26 -1.58 0.74 -1.30 0.00 0.00 177.93 175.97 3cem h PHE 37 N -0.98 0.22 0.14 5.26 0.04 -0.43 -1.86 116.94 119.33 3cem h PHE 37 Ca -0.01 -0.16 -0.33 0.00 2.80 0.00 0.00 57.97 60.26 3cem h PHE 37 Cb 0.42 -0.01 -0.01 0.00 2.20 0.00 0.00 35.95 38.56 3cem h PHE 37 CO 0.09 1.23 -1.75 1.15 -0.60 0.00 0.00 178.31 178.43 3cem h THR 38 N 0.03 0.83 0.00 -1.55 2.02 -1.30 -3.39 112.91 109.55 3cem h THR 38 Ca -0.25 -2.40 0.00 0.00 0.77 0.00 0.00 66.41 64.53 3cem h THR 38 Cb 1.98 2.63 0.00 0.00 -1.74 0.00 0.00 68.15 71.02 3cem h THR 38 CO 0.12 0.81 -0.89 0.18 0.37 0.00 0.00 175.52 176.11 3cem n LEU 39 N -3.67 0.68 -3.48 2.58 7.99 -0.05 -4.99 117.00 116.06 3cem n LEU 39 Ca -0.28 -0.16 -0.24 0.00 -0.01 0.00 0.00 56.01 55.32 3cem n LEU 39 Cb 1.01 -0.11 0.06 0.00 -0.11 0.00 0.00 43.42 44.27 3cem n LEU 39 CO 0.44 0.13 0.17 0.52 -1.51 0.00 0.00 177.39 177.14 3cem n VAL 40 N -1.69 -2.60 -4.39 4.08 0.31 -0.70 -4.96 118.33 108.37 3cem n VAL 40 Ca 0.03 0.00 -0.20 0.00 -0.01 0.00 0.00 64.34 64.17 3cem n VAL 40 Cb 0.38 -3.70 -0.10 0.00 -0.91 0.00 0.00 33.84 29.50 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 -6.19 1.46 0.46 5.55 -0.14 -0.72 -5.01 119.74 115.16 3cem s LYS 41 Ca 0.52 -1.73 0.03 0.00 -1.36 0.00 0.00 55.97 53.43 3cem s LYS 41 Cb -0.24 -1.02 -0.02 0.00 -1.68 0.00 0.00 37.83 34.87 3cem s LYS 41 CO 0.65 0.03 0.06 0.16 -0.76 0.00 0.00 175.35 175.49 3cem s ASP 42 N -3.39 3.50 0.57 2.83 1.47 -1.26 -3.94 116.67 116.44 3cem s ASP 42 Ca 0.28 -1.66 0.37 0.00 1.18 0.00 0.00 52.55 52.72 3cem s ASP 42 Cb 0.04 0.49 1.81 0.00 -0.34 0.00 0.00 42.92 44.92 3cem s ASP 42 CO 0.10 -0.88 2.12 0.03 0.68 0.00 0.00 175.17 177.22 3cem h ARG 43 N 1.57 0.00 -0.18 2.11 2.47 -1.98 -2.36 114.38 116.00 3cem h ARG 43 Ca -0.40 0.00 -0.11 0.00 -1.26 0.00 0.00 59.98 58.21 3cem h ARG 43 Cb 1.29 0.00 -0.00 0.00 -1.65 0.00 0.00 29.97 29.61 3cem h ARG 43 CO 0.66 0.00 -0.30 -0.91 0.56 0.00 0.00 179.97 179.98 3cem h ASN 44 N 0.00 0.58 -0.19 7.04 4.21 -2.05 -3.34 115.58 121.83 3cem h ASN 44 Ca 0.00 -0.53 0.00 0.00 1.21 0.00 0.00 56.30 56.98 3cem h ASN 44 Cb 0.23 -0.17 0.00 0.00 -1.12 0.00 0.00 38.32 37.27 3cem h ASN 44 CO 0.00 1.00 0.00 1.33 -1.29 0.00 0.00 177.43 178.47 3cem n VAL 45 N -4.35 1.56 -2.38 2.81 0.24 -1.12 -5.02 118.33 110.07 3cem n VAL 45 Ca -0.06 -1.50 -0.39 0.00 -2.04 0.00 0.00 64.34 60.35 3cem n VAL 45 Cb 0.48 0.13 -0.03 0.00 -1.47 0.00 0.00 33.84 32.95 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 -1.91 3.24 0.48 2.33 0.00 -0.90 -4.94 121.76 120.06 3cem s ALA 46 Ca 0.26 0.92 0.08 0.00 0.00 0.00 0.00 51.96 53.22 3cem s ALA 46 Cb 0.20 -3.35 0.03 0.00 0.00 0.00 0.00 23.12 20.00 3cem s ALA 46 CO 0.08 -0.37 0.60 0.95 0.00 0.00 0.00 175.76 177.02 3cem s THR 47 N -1.37 2.58 0.22 0.00 -4.23 -1.26 -4.97 115.64 106.62 3cem s THR 47 Ca 0.53 -1.08 -0.06 0.00 -1.18 0.00 0.00 61.69 59.89 3cem s THR 47 Cb -0.30 -2.67 0.14 0.00 1.34 0.00 0.00 72.50 71.01 3cem s THR 47 CO 0.38 0.00 1.76 0.74 -0.54 0.00 0.00 174.62 176.96 3cem h THR 48 N 0.55 1.26 -0.79 3.99 2.02 -1.99 -0.92 112.91 117.03 3cem h THR 48 Ca -0.37 -0.91 -0.03 0.00 0.77 0.00 0.00 66.41 65.87 3cem h THR 48 Cb 1.28 0.51 -0.04 0.00 -1.74 0.00 0.00 68.15 68.16 3cem h THR 48 CO 0.46 0.35 0.37 -0.09 0.37 0.00 0.00 175.52 176.98 3cem h ARG 49 N 1.04 1.14 -0.38 6.66 2.43 -1.95 -0.18 114.38 123.15 3cem h ARG 49 Ca 0.22 -0.17 0.04 0.00 -0.81 0.00 0.00 59.98 59.26 3cem h ARG 49 Cb 0.32 -0.20 -0.04 0.00 -0.42 0.00 0.00 29.97 29.63 3cem h ARG 49 CO -0.00 0.89 0.15 -0.44 -1.51 0.00 0.00 179.97 179.06 3cem h ASP 50 N 1.13 0.19 -0.63 -3.80 3.32 -1.57 0.04 116.42 115.09 3cem h ASP 50 Ca 0.27 0.03 -0.02 0.00 0.02 0.00 0.00 57.03 57.33 3cem h ASP 50 Cb 0.14 0.01 -0.03 0.00 0.22 0.00 0.00 39.33 39.66 3cem h ASP 50 CO -0.03 0.14 0.31 1.88 -1.72 0.00 0.00 179.24 179.82 3cem h TYR 51 N 0.32 0.90 -0.09 4.55 0.05 -0.92 -0.02 116.97 121.76 3cem h TYR 51 Ca 0.17 -0.04 0.02 0.00 0.05 0.00 0.00 58.73 58.92 3cem h TYR 51 Cb 0.12 -0.28 -0.02 0.00 1.01 0.00 0.00 36.73 37.57 3cem h TYR 51 CO -0.13 0.68 -0.02 -0.92 -1.05 0.00 0.00 178.16 176.72 3cem h TYR 52 N 0.87 -0.04 -0.94 4.88 3.20 -0.41 -1.26 116.97 123.27 3cem h TYR 52 Ca 0.22 0.01 0.04 0.00 3.14 0.00 0.00 58.73 62.14 3cem h TYR 52 Cb 0.10 0.03 -0.06 0.00 1.54 0.00 0.00 36.73 38.35 3cem h TYR 52 CO -0.00 -0.03 0.61 0.74 -1.64 0.00 0.00 178.16 177.84 3cem h PHE 53 N 0.01 1.13 -0.57 -3.82 0.04 -0.79 -0.14 116.94 112.80 3cem h PHE 53 Ca 0.04 0.03 -0.10 0.00 2.80 0.00 0.00 57.97 60.74 3cem h PHE 53 Cb 0.06 -0.38 -0.02 0.00 2.20 0.00 0.00 35.95 37.81 3cem h PHE 53 CO -0.14 0.64 -0.03 0.00 -0.60 0.00 0.00 178.31 178.18 3cem h ALA 54 N 1.46 0.77 -0.35 2.45 0.00 -0.39 -2.42 119.26 120.79 3cem h ALA 54 Ca 0.38 -0.32 -0.09 0.00 0.00 0.00 0.00 54.91 54.88 3cem h ALA 54 Cb 0.04 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.62 3cem h ALA 54 CO -0.12 0.63 -0.13 1.25 0.00 0.00 0.00 179.25 180.88 3cem h LEU 55 N 0.91 0.71 -0.76 0.00 5.85 -0.91 -2.07 115.31 119.05 3cem h LEU 55 Ca 0.16 -0.39 0.09 0.00 0.84 0.00 0.00 57.88 58.57 3cem h LEU 55 Cb 0.59 -0.20 -0.07 0.00 0.37 0.00 0.00 40.66 41.36 3cem h LEU 55 CO 0.04 0.94 0.41 0.00 -0.34 0.00 0.00 178.44 179.49 3cem h ALA 56 N 0.80 1.05 -0.16 1.25 0.00 -0.95 0.22 119.26 121.47 3cem h ALA 56 Ca 0.08 0.03 -0.19 0.00 0.00 0.00 0.00 54.91 54.83 3cem h ALA 56 Cb 0.65 -0.11 0.01 0.00 0.00 0.00 0.00 17.79 18.34 3cem h ALA 56 CO 0.04 0.05 -0.65 0.45 0.00 0.00 0.00 179.25 179.15 3cem h HIS 57 N 0.71 0.96 -0.60 0.00 3.86 -1.32 0.85 115.15 119.61 3cem h HIS 57 Ca 0.36 -0.41 0.07 0.00 -1.16 0.00 0.00 60.37 59.23 3cem h HIS 57 Cb 0.32 -0.15 -0.06 0.00 1.06 0.00 0.00 27.41 28.58 3cem h HIS 57 CO -0.08 1.22 0.28 1.15 0.86 0.00 0.00 177.93 181.37 3cem h THR 58 N 0.43 0.88 -0.11 2.45 2.02 -0.97 -0.76 112.91 116.84 3cem h THR 58 Ca -0.04 -0.18 -0.04 0.00 0.77 0.00 0.00 66.41 66.93 3cem h THR 58 Cb 1.28 0.31 -0.00 0.00 -1.74 0.00 0.00 68.15 68.00 3cem h THR 58 CO 0.14 0.09 -0.09 0.58 0.37 0.00 0.00 175.52 176.61 3cem h VAL 59 N 0.52 1.34 -0.90 3.16 2.07 -0.78 -2.97 116.25 118.68 3cem h VAL 59 Ca 0.29 -1.19 0.17 0.00 0.82 0.00 0.00 66.70 66.78 3cem h VAL 59 Cb 0.27 1.89 -0.07 0.00 -1.52 0.00 0.00 31.29 31.86 3cem h VAL 59 CO -0.23 0.34 0.58 -0.09 0.02 0.00 0.00 177.57 178.19 3cem h ARG 60 N -0.13 0.59 -0.19 1.57 2.43 -0.64 -0.89 114.38 117.11 3cem h ARG 60 Ca 0.02 -0.04 -0.03 0.00 -0.81 0.00 0.00 59.98 59.13 3cem h ARG 60 Cb 0.58 -0.13 -0.01 0.00 -0.42 0.00 0.00 29.97 29.99 3cem h ARG 60 CO 0.02 0.39 0.00 -0.44 -1.51 0.00 0.00 179.97 178.44 3cem h ASP 61 N 0.61 0.25 0.72 -3.80 3.32 -0.97 -1.39 116.42 115.16 3cem h ASP 61 Ca 0.47 -0.03 0.00 0.00 0.02 0.00 0.00 57.03 57.49 3cem h ASP 61 Cb 0.87 -0.06 0.00 0.00 0.22 0.00 0.00 39.33 40.36 3cem h ASP 61 CO -0.22 0.30 0.00 1.41 -1.72 0.00 0.00 179.24 179.01 3cem n HIS 62 N -4.38 0.69 0.46 4.55 8.25 -0.34 -3.19 115.22 121.27 3cem n HIS 62 Ca -0.00 0.27 0.05 0.00 -0.26 0.00 0.00 57.72 57.78 3cem n HIS 62 Cb 0.18 -0.93 0.02 0.00 1.12 0.00 0.00 29.99 30.37 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 -2.13 1.56 -0.25 2.41 -0.00 -0.54 -4.65 117.00 113.40 3cem n LEU 63 Ca 0.02 -0.87 -0.05 0.00 -0.00 0.00 0.00 56.01 55.11 3cem n LEU 63 Cb 0.23 0.00 0.06 0.00 -0.00 0.00 0.00 43.42 43.71 3cem n LEU 63 CO 0.19 0.30 1.17 0.58 -0.00 0.00 0.00 177.39 179.63 3cem h VAL 64 N 1.64 1.17 -0.64 1.47 2.07 -1.48 0.44 116.25 120.92 3cem h VAL 64 Ca 0.00 -0.32 0.00 0.00 0.82 0.00 0.00 66.70 67.20 3cem h VAL 64 Cb 0.41 0.15 -0.03 0.00 -1.52 0.00 0.00 31.29 30.29 3cem h VAL 64 CO 0.00 0.17 0.40 1.23 0.02 0.00 0.00 177.57 179.39 3cem h GLY 65 N 0.94 0.91 2.00 2.17 0.00 -1.83 -1.08 103.07 106.19 3cem h GLY 65 Ca 0.26 -0.36 -0.09 0.00 0.00 0.00 0.00 47.33 47.14 3cem h GLY 65 CO -0.06 0.36 -0.42 3.21 0.00 0.00 0.00 176.54 179.62 3cem h ARG 66 N 0.86 0.00 -0.08 4.80 3.08 -1.77 -2.02 114.38 119.26 3cem h ARG 66 Ca 0.23 0.00 -0.02 0.00 0.07 0.00 0.00 59.98 60.26 3cem h ARG 66 Cb -0.05 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 29.99 3cem h ARG 66 CO -0.05 0.42 -0.02 2.35 -1.07 0.00 0.00 179.97 181.61 3cem h TRP 67 N 0.00 0.17 0.19 3.04 7.01 -0.17 -0.51 115.95 125.68 3cem h TRP 67 Ca -0.00 -0.04 0.00 0.00 2.11 0.00 0.00 58.89 60.96 3cem h TRP 67 Cb 1.07 -0.04 -0.01 0.00 -2.10 0.00 0.00 29.16 28.08 3cem h TRP 67 CO 0.00 0.47 -0.16 0.82 -2.79 0.00 0.00 178.44 176.78 3cem h ILE 68 N -0.19 0.65 -0.30 2.65 2.04 -1.23 -2.94 117.51 118.19 3cem h ILE 68 Ca 0.02 0.00 0.05 0.00 1.00 0.00 0.00 64.86 65.93 3cem h ILE 68 Cb 0.42 0.65 -0.02 0.00 -0.74 0.00 0.00 36.82 37.14 3cem h ILE 68 CO 0.01 0.00 0.20 0.03 0.00 0.00 0.00 178.15 178.39 3cem h ARG 69 N -0.37 0.19 0.05 2.37 3.08 -1.33 -0.67 114.38 117.71 3cem h ARG 69 Ca -0.01 -0.01 -0.26 0.00 0.07 0.00 0.00 59.98 59.78 3cem h ARG 69 Cb 0.33 -0.04 -0.02 0.00 0.08 0.00 0.00 29.97 30.32 3cem h ARG 69 CO -0.02 0.13 -1.27 0.00 -1.07 0.00 0.00 179.97 177.74 3cem h THR 70 N 0.20 1.42 -0.52 2.04 1.03 -1.05 0.17 112.91 116.20 3cem h THR 70 Ca 0.13 -3.11 -0.04 0.00 -0.01 0.00 0.00 66.41 63.38 3cem h THR 70 Cb 0.27 2.78 -0.02 0.00 -1.07 0.00 0.00 68.15 70.11 3cem h THR 70 CO -0.02 0.85 0.15 1.56 -0.01 0.00 0.00 175.52 178.05 3cem h GLN 71 N 0.03 0.82 -0.00 0.00 1.08 -1.30 -1.79 115.11 113.94 3cem h GLN 71 Ca -0.13 -0.18 0.00 0.00 -1.45 0.00 0.00 58.65 56.89 3cem h GLN 71 Cb 1.90 -0.11 -0.00 0.00 -0.05 0.00 0.00 27.48 29.22 3cem h GLN 71 CO 0.14 0.76 0.00 1.96 -0.95 0.00 0.00 178.83 180.75 3cem h GLN 72 N 0.72 0.00 -0.67 1.46 4.20 -1.09 -2.66 115.11 117.07 3cem h GLN 72 Ca 0.17 -0.00 0.14 0.00 0.06 0.00 0.00 58.65 59.02 3cem h GLN 72 Cb 0.30 -0.00 -0.11 0.00 0.30 0.00 0.00 27.48 27.96 3cem h GLN 72 CO -0.00 0.03 0.00 1.25 -0.67 0.00 0.00 178.83 179.44 3cem h HIS 73 N -0.02 -0.04 -0.72 2.96 2.76 -0.56 -0.67 115.15 118.86 3cem h HIS 73 Ca 0.00 0.05 -0.02 0.00 -2.20 0.00 0.00 60.37 58.20 3cem h HIS 73 Cb 0.02 0.12 -0.03 0.00 1.55 0.00 0.00 27.41 29.07 3cem h HIS 73 CO -0.07 -0.19 0.37 1.88 -1.30 0.00 0.00 177.93 178.61 3cem h TYR 74 N 0.11 1.01 -0.25 5.26 0.05 -1.15 -1.77 116.97 120.24 3cem h TYR 74 Ca 0.36 -0.03 -0.03 0.00 0.05 0.00 0.00 58.73 59.08 3cem h TYR 74 Cb 0.59 -0.32 -0.01 0.00 1.01 0.00 0.00 36.73 38.00 3cem h TYR 74 CO -0.39 0.72 0.05 -0.92 -1.05 0.00 0.00 178.16 176.57 3cem h TYR 75 N 1.02 0.43 -0.35 4.88 3.20 -1.06 0.25 116.97 125.34 3cem h TYR 75 Ca 0.25 -0.06 -0.12 0.00 3.14 0.00 0.00 58.73 61.95 3cem h TYR 75 Cb 0.07 -0.12 -0.01 0.00 1.54 0.00 0.00 36.73 38.21 3cem h TYR 75 CO 0.01 0.51 -0.26 -0.44 -1.64 0.00 0.00 178.16 176.34 3cem h ASP 76 N 0.23 0.72 0.00 -2.11 3.32 -0.57 -3.29 116.42 114.71 3cem h ASP 76 Ca 0.08 -0.27 0.00 0.00 0.02 0.00 0.00 57.03 56.86 3cem h ASP 76 Cb 0.31 -0.20 0.00 0.00 0.22 0.00 0.00 39.33 39.66 3cem h ASP 76 CO 0.00 0.95 -1.00 0.29 -1.72 0.00 0.00 179.24 177.77 3cem n LYS 77 N -4.10 1.47 -3.87 3.56 4.76 -0.72 -5.04 118.16 114.23 3cem n LYS 77 Ca -0.00 -0.04 -0.33 0.00 -2.87 0.00 0.00 58.31 55.07 3cem n LYS 77 Cb 0.45 -1.28 0.01 0.00 -1.84 0.00 0.00 35.03 32.37 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 -6.16 2.41 0.12 0.00 0.04 -1.26 -4.93 135.00 125.22 3cem s PRO 79 Ca 0.27 1.37 -0.35 0.00 0.04 0.00 0.00 61.00 62.33 3cem s PRO 79 Cb -0.15 -1.90 -0.15 0.00 0.04 0.00 0.00 34.50 32.34 3cem s PRO 79 CO 0.77 -1.55 1.49 1.17 0.04 0.00 0.00 177.00 178.92 3cem n LYS 80 N -2.96 1.73 -3.69 4.56 4.81 -1.26 -4.97 118.16 116.39 3cem n LYS 80 Ca 0.10 0.63 -0.37 0.00 -0.87 0.00 0.00 58.31 57.79 3cem n LYS 80 Cb 0.52 -2.34 -0.06 0.00 0.02 0.00 0.00 35.03 33.17 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 0.87 3.69 -0.20 1.64 0.52 -0.12 -4.56 118.95 120.79 3cem s ARG 81 Ca 0.82 0.14 -0.07 0.00 -0.52 0.00 0.00 55.73 56.09 3cem s ARG 81 Cb -0.80 -3.21 -0.04 0.00 0.52 0.00 0.00 34.95 31.42 3cem s ARG 81 CO 0.42 0.72 0.07 0.08 0.02 0.00 0.00 175.30 176.61 3cem s VAL 82 N -1.01 4.72 -0.25 3.52 1.01 -0.42 -1.03 120.40 126.93 3cem s VAL 82 Ca 0.19 -0.05 -0.02 0.00 0.00 0.00 0.00 61.98 62.10 3cem s VAL 82 Cb -0.14 -3.14 0.02 0.00 0.00 0.00 0.00 36.38 33.12 3cem s VAL 82 CO 0.08 0.43 -0.05 -0.31 0.00 0.00 0.00 175.10 175.26 3cem s TYR 83 N 0.63 3.06 -0.46 5.22 2.02 0.51 -0.73 117.35 127.60 3cem s TYR 83 Ca 0.03 -1.47 -0.17 0.00 -0.37 0.00 0.00 57.07 55.09 3cem s TYR 83 Cb -0.13 -2.08 0.05 0.00 -0.40 0.00 0.00 41.96 39.40 3cem s TYR 83 CO 0.01 -0.71 0.48 -0.47 -1.57 0.00 0.00 175.55 173.30 3cem s TYR 84 N 1.35 3.16 -0.22 2.71 5.04 0.13 -0.70 117.35 128.82 3cem s TYR 84 Ca 0.01 -0.61 -0.05 0.00 -2.44 0.00 0.00 57.07 53.98 3cem s TYR 84 Cb -0.17 -3.17 -0.02 0.00 0.35 0.00 0.00 41.96 38.95 3cem s TYR 84 CO -0.04 -0.83 0.00 -1.17 -1.34 0.00 0.00 175.55 172.17 3cem s LEU 85 N 2.12 3.20 -0.15 6.97 2.96 -0.62 -1.24 118.68 131.92 3cem s LEU 85 Ca 0.10 -0.25 -0.13 0.00 -0.22 0.00 0.00 54.13 53.63 3cem s LEU 85 Cb -0.20 -1.82 0.04 0.00 0.50 0.00 0.00 46.19 44.71 3cem s LEU 85 CO 0.11 0.02 0.39 -0.55 -1.32 0.00 0.00 176.35 175.00 3cem s SER 86 N 1.27 -0.42 0.00 3.68 0.15 -0.92 -1.80 113.70 115.66 3cem s SER 86 Ca 0.04 0.80 0.29 0.00 0.70 0.00 0.00 55.95 57.77 3cem s SER 86 Cb -0.15 0.80 1.56 0.00 -1.71 0.00 0.00 66.02 66.52 3cem s SER 86 CO 0.01 -0.14 2.02 0.18 1.20 0.00 0.00 173.24 176.51 3cem n LEU 87 N 3.00 0.00 -3.77 3.45 7.99 -1.26 -4.22 117.00 122.19 3cem n LEU 87 Ca -0.14 0.17 -0.14 0.00 -0.01 0.00 0.00 56.01 55.89 3cem n LEU 87 Cb 0.57 -0.17 -0.15 0.00 -0.11 0.00 0.00 43.42 43.56 3cem n LEU 87 CO 0.13 -0.01 -0.28 -1.61 -1.51 0.00 0.00 177.39 174.11 3cem s GLU 88 N -2.34 0.04 -0.19 3.23 2.02 -1.26 -4.66 118.70 115.54 3cem s GLU 88 Ca 0.34 0.26 -0.02 0.00 0.02 0.00 0.00 54.97 55.56 3cem s GLU 88 Cb 0.19 -0.17 0.06 0.00 0.10 0.00 0.00 34.13 34.31 3cem s GLU 88 CO 0.40 -0.14 0.02 -0.06 0.02 0.00 0.00 175.26 175.50 3cem s PHE 89 N 0.94 1.16 -1.09 1.61 0.40 -0.20 -4.61 117.98 116.19 3cem s PHE 89 Ca -0.07 -0.90 -0.05 0.00 -0.60 0.00 0.00 56.93 55.30 3cem s PHE 89 Cb -0.10 -1.08 0.30 0.00 0.51 0.00 0.00 43.02 42.65 3cem s PHE 89 CO -0.04 -0.61 1.47 0.98 0.70 0.00 0.00 175.22 177.73 3cem n TYR 90 N 5.01 2.52 0.14 0.36 9.36 -0.46 -3.14 117.16 130.95 3cem n TYR 90 Ca -0.09 -2.69 0.00 0.00 3.32 0.00 0.00 57.90 58.44 3cem n TYR 90 Cb 0.47 -1.32 0.15 0.00 -0.63 0.00 0.00 39.34 38.01 3cem n TYR 90 CO 0.00 0.00 0.00 0.52 0.22 0.00 0.00 176.86 177.60 3cem h MET 91 N 5.54 0.00 0.00 2.98 2.86 -1.76 -3.42 114.93 121.14 3cem h MET 91 Ca 0.21 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.85 3cem h MET 91 Cb 0.63 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.29 3cem h MET 91 CO 1.32 0.61 0.00 0.41 1.06 0.00 0.00 176.91 180.31 3cem n GLY 92 N 0.55 1.05 3.86 8.32 0.00 -1.18 -4.82 105.19 112.97 3cem n GLY 92 Ca -0.00 -0.74 -0.32 0.00 0.00 0.00 0.00 46.02 44.96 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 3.89 -0.18 1.61 0.52 -1.26 -1.05 118.95 122.48 3cem s ARG 93 Ca 0.00 0.50 0.16 0.00 -0.52 0.00 0.00 55.73 55.87 3cem s ARG 93 Cb 0.00 -2.49 -0.24 0.00 0.52 0.00 0.00 34.95 32.74 3cem s ARG 93 CO 0.00 0.16 0.14 2.41 0.02 0.00 0.00 175.30 178.04 3cem n THR 94 N -0.51 1.44 0.42 0.02 -1.04 -1.26 -4.53 114.28 108.82 3cem n THR 94 Ca 0.02 -0.82 -0.18 0.00 -2.04 0.00 0.00 64.05 61.03 3cem n THR 94 Cb 0.53 -0.64 -0.09 0.00 -1.82 0.00 0.00 70.33 68.31 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 0.00 -0.89 -0.59 -4.42 5.85 -1.97 -0.85 115.31 112.44 3cem h LEU 95 Ca -0.51 0.02 -0.03 0.00 0.84 0.00 0.00 57.88 58.20 3cem h LEU 95 Cb 2.18 0.23 -0.03 0.00 0.37 0.00 0.00 40.66 43.42 3cem h LEU 95 CO 0.03 -0.60 0.26 -0.61 -0.34 0.00 0.00 178.44 177.18 3cem h GLN 96 N -1.13 0.86 -0.87 1.25 4.15 -1.98 -0.53 115.11 116.87 3cem h GLN 96 Ca -0.11 -0.14 0.01 0.00 0.77 0.00 0.00 58.65 59.18 3cem h GLN 96 Cb 0.82 -0.15 -0.04 0.00 0.21 0.00 0.00 27.48 28.32 3cem h GLN 96 CO 0.18 0.71 0.57 -0.97 -1.93 0.00 0.00 178.83 177.39 3cem h ASN 97 N 0.80 1.01 -0.23 -0.69 -0.73 -1.77 -0.94 115.58 113.03 3cem h ASN 97 Ca 0.20 -0.03 -0.10 0.00 1.87 0.00 0.00 56.30 58.24 3cem h ASN 97 Cb 0.16 -0.25 -0.00 0.00 0.27 0.00 0.00 38.32 38.49 3cem h ASN 97 CO -0.02 0.74 -0.24 0.74 -0.37 0.00 0.00 177.43 178.28 3cem h THR 98 N 1.19 1.32 -0.96 -3.57 2.02 -0.39 -1.55 112.91 110.96 3cem h THR 98 Ca 0.32 -1.40 0.07 0.00 0.77 0.00 0.00 66.41 66.17 3cem h THR 98 Cb -0.12 1.71 -0.07 0.00 -1.74 0.00 0.00 68.15 67.93 3cem h THR 98 CO -0.07 0.44 0.62 0.24 0.37 0.00 0.00 175.52 177.12 3cem h MET 99 N 0.26 1.06 -0.22 6.66 2.86 -0.51 -1.82 114.93 123.23 3cem h MET 99 Ca 0.04 -0.06 -0.09 0.00 -2.06 0.00 0.00 59.70 57.52 3cem h MET 99 Cb 0.79 -0.24 -0.00 0.00 0.06 0.00 0.00 31.60 32.21 3cem h MET 99 CO 0.06 0.70 -0.20 0.82 1.06 0.00 0.00 176.91 179.35 3cem h ILE 100 N 1.09 1.32 0.00 -1.22 2.04 -1.02 0.44 117.51 120.17 3cem h ILE 100 Ca 0.42 -1.36 0.00 0.00 1.00 0.00 0.00 64.86 64.92 3cem h ILE 100 Cb 0.22 1.72 0.00 0.00 -0.74 0.00 0.00 36.82 38.01 3cem h ILE 100 CO -0.17 0.42 0.00 0.78 0.00 0.00 0.00 178.15 179.18 3cem h ASN 101 N 0.21 0.00 0.02 1.72 4.21 -1.03 -1.94 115.58 118.76 3cem h ASN 101 Ca 0.04 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.55 3cem h ASN 101 Cb 0.75 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 37.95 3cem h ASN 101 CO 0.05 0.00 -0.23 0.18 -1.29 0.00 0.00 177.43 176.14 3cem n LEU 102 N -2.42 2.12 -0.62 1.61 4.32 -0.71 -1.05 117.00 120.26 3cem n LEU 102 Ca 0.03 -0.73 -0.08 0.00 -0.02 0.00 0.00 56.01 55.21 3cem n LEU 102 Cb 0.31 -0.02 -0.03 0.00 -1.62 0.00 0.00 43.42 42.05 3cem n LEU 102 CO 0.24 0.37 -0.08 0.61 -1.22 0.00 0.00 177.39 177.32 3cem n GLY 103 N 1.35 0.98 0.42 -0.72 0.00 -0.73 -4.96 105.19 101.54 3cem n GLY 103 Ca 0.13 -0.50 0.10 0.00 0.00 0.00 0.00 46.02 45.74 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 -0.92 1.86 -0.04 0.99 4.77 0.15 -4.68 117.00 119.13 3cem n LEU 104 Ca -0.08 -0.73 -0.08 0.00 -0.03 0.00 0.00 56.01 55.09 3cem n LEU 104 Cb 0.30 0.00 -0.02 0.00 -2.33 0.00 0.00 43.42 41.37 3cem n LEU 104 CO 0.12 0.35 0.71 -0.61 -1.33 0.00 0.00 177.39 176.64 3cem h GLN 105 N 2.08 -0.22 -0.77 3.23 4.15 -1.88 0.31 115.11 122.00 3cem h GLN 105 Ca 0.00 0.02 -0.03 0.00 0.77 0.00 0.00 58.65 59.41 3cem h GLN 105 Cb 0.70 0.05 -0.04 0.00 0.21 0.00 0.00 27.48 28.40 3cem h GLN 105 CO 0.00 -0.15 0.37 -0.91 -1.93 0.00 0.00 178.83 176.21 3cem h ASN 106 N -0.23 1.00 -0.42 -0.69 4.21 -1.92 0.34 115.58 117.87 3cem h ASN 106 Ca 0.13 -0.11 -0.14 0.00 1.21 0.00 0.00 56.30 57.39 3cem h ASN 106 Cb 0.43 -0.26 -0.01 0.00 -1.12 0.00 0.00 38.32 37.36 3cem h ASN 106 CO -0.35 0.84 -0.27 0.00 -1.29 0.00 0.00 177.43 176.36 3cem h ALA 107 N 1.31 0.68 -0.52 -0.83 0.00 -1.53 -1.61 119.26 116.76 3cem h ALA 107 Ca 0.27 -0.41 -0.12 0.00 0.00 0.00 0.00 54.91 54.64 3cem h ALA 107 Cb 0.11 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.73 3cem h ALA 107 CO -0.03 0.67 -0.15 0.00 0.00 0.00 0.00 179.25 179.74 3cem h ASP 109 N 0.89 0.77 -0.26 0.00 3.45 -0.14 0.64 116.42 121.77 3cem h ASP 109 Ca 0.13 -0.00 -0.04 0.00 0.43 0.00 0.00 57.03 57.55 3cem h ASP 109 Cb 0.72 -0.17 -0.01 0.00 -0.56 0.00 0.00 39.33 39.31 3cem h ASP 109 CO 0.06 0.53 -0.00 -0.08 -1.57 0.00 0.00 179.24 178.18 3cem h GLU 110 N 0.91 0.46 -0.01 3.56 4.57 -0.90 -1.26 114.58 121.91 3cem h GLU 110 Ca 0.29 -0.15 0.00 0.00 -1.18 0.00 0.00 59.36 58.33 3cem h GLU 110 Cb 0.01 -0.04 -0.00 0.00 -0.16 0.00 0.00 28.75 28.55 3cem h GLU 110 CO -0.11 0.62 0.00 0.00 -1.18 0.00 0.00 179.01 178.35 3cem h ALA 111 N 0.82 0.01 -0.60 2.92 0.00 -0.21 -1.08 119.26 121.11 3cem h ALA 111 Ca 0.07 -0.01 -0.07 0.00 0.00 0.00 0.00 54.91 54.90 3cem h ALA 111 Cb 0.42 -0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.18 3cem h ALA 111 CO 0.01 -0.48 0.11 0.82 0.00 0.00 0.00 179.25 179.71 3cem h ILE 112 N -0.02 1.26 -0.21 0.00 1.08 -0.83 -1.44 117.51 117.35 3cem h ILE 112 Ca 0.00 -0.98 0.03 0.00 -0.39 0.00 0.00 64.86 63.52 3cem h ILE 112 Cb 0.03 0.72 -0.03 0.00 -3.07 0.00 0.00 36.82 34.47 3cem h ILE 112 CO -0.00 0.36 0.02 0.22 -0.69 0.00 0.00 178.15 178.06 3cem h TYR 113 N 0.90 0.03 0.00 1.37 3.20 -1.18 -1.59 116.97 119.71 3cem h TYR 113 Ca 0.18 0.01 -0.01 0.00 3.14 0.00 0.00 58.73 62.06 3cem h TYR 113 Cb 0.41 0.02 -0.00 0.00 1.54 0.00 0.00 36.73 38.70 3cem h TYR 113 CO 0.03 -0.00 -0.04 1.96 -1.64 0.00 0.00 178.16 178.47 3cem h GLN 114 N 0.10 0.00 -0.01 1.82 4.20 -0.20 0.21 115.11 121.24 3cem h GLN 114 Ca 0.10 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.81 3cem h GLN 114 Cb 0.11 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.89 3cem h GLN 114 CO -0.15 0.04 0.00 1.28 -0.67 0.00 0.00 178.83 179.33 3cem n LEU 115 N -3.49 0.32 0.00 1.46 4.77 -0.67 -4.90 117.00 114.49 3cem n LEU 115 Ca -0.02 -0.11 0.00 0.00 -0.03 0.00 0.00 56.01 55.85 3cem n LEU 115 Cb 0.14 -0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.23 3cem n LEU 115 CO 0.26 0.06 0.00 0.61 -1.33 0.00 0.00 177.39 176.98 3cem n GLY 116 N 1.02 0.42 3.79 -0.72 0.00 0.75 -5.05 105.19 105.39 3cem n GLY 116 Ca 0.22 -1.00 -0.27 0.00 0.00 0.00 0.00 46.02 44.97 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 2.81 -0.15 0.99 1.43 -0.65 -5.02 118.68 118.09 3cem s LEU 117 Ca 0.00 -1.26 0.01 0.00 -1.03 0.00 0.00 54.13 51.84 3cem s LEU 117 Cb 0.00 -1.20 0.02 0.00 0.03 0.00 0.00 46.19 45.04 3cem s LEU 117 CO 0.00 -0.76 -0.15 -0.62 0.23 0.00 0.00 176.35 175.04 3cem s ASP 118 N -4.00 2.75 0.30 2.29 3.68 -1.26 -3.92 116.67 116.52 3cem s ASP 118 Ca 0.31 -0.51 0.06 0.00 2.13 0.00 0.00 52.55 54.54 3cem s ASP 118 Cb 0.02 -1.23 0.48 0.00 -1.45 0.00 0.00 42.92 40.75 3cem s ASP 118 CO 0.18 -0.04 1.73 -0.29 0.13 0.00 0.00 175.17 176.87 3cem h ILE 119 N 6.03 1.29 -0.52 4.11 2.10 -1.91 -1.94 117.51 126.67 3cem h ILE 119 Ca -0.39 -1.39 -0.07 0.00 1.08 0.00 0.00 64.86 64.09 3cem h ILE 119 Cb 1.14 1.57 -0.02 0.00 -1.09 0.00 0.00 36.82 38.42 3cem h ILE 119 CO 0.55 0.42 0.05 -0.08 -1.08 0.00 0.00 178.15 178.00 3cem h GLU 120 N 0.24 0.84 -0.45 2.19 4.81 -1.98 0.15 114.58 120.38 3cem h GLU 120 Ca 0.03 -0.21 -0.07 0.00 -0.13 0.00 0.00 59.36 58.97 3cem h GLU 120 Cb 0.74 -0.11 -0.02 0.00 0.63 0.00 0.00 28.75 30.00 3cem h GLU 120 CO 0.06 0.81 -0.02 0.93 -0.73 0.00 0.00 179.01 180.06 3cem h GLU 121 N 0.79 0.75 -0.23 1.92 5.08 -1.79 -2.12 114.58 118.98 3cem h GLU 121 Ca 0.16 -0.21 -0.12 0.00 -1.00 0.00 0.00 59.36 58.19 3cem h GLU 121 Cb 0.41 -0.09 -0.01 0.00 0.50 0.00 0.00 28.75 29.56 3cem h GLU 121 CO 0.01 0.78 -0.37 -0.07 -1.00 0.00 0.00 179.01 178.37 3cem h LEU 122 N 0.70 0.54 -0.88 1.33 3.38 -0.98 -3.03 115.31 116.36 3cem h LEU 122 Ca 0.14 -0.22 -0.05 0.00 0.09 0.00 0.00 57.88 57.83 3cem h LEU 122 Cb 0.46 -0.15 -0.03 0.00 0.09 0.00 0.00 40.66 41.03 3cem h LEU 122 CO 0.02 0.86 0.20 -0.33 0.09 0.00 0.00 178.44 179.28 3cem h GLU 123 N 0.43 1.02 0.00 1.13 5.08 -0.45 -2.39 114.58 119.40 3cem h GLU 123 Ca 0.04 -0.21 -0.01 0.00 -1.00 0.00 0.00 59.36 58.18 3cem h GLU 123 Cb 0.84 -0.15 -0.00 0.00 0.50 0.00 0.00 28.75 29.93 3cem h GLU 123 CO 0.07 0.88 -0.06 0.93 -1.00 0.00 0.00 179.01 179.83 3cem h GLU 124 N 0.98 0.00 0.00 2.33 4.39 -1.27 -2.58 114.58 118.44 3cem h GLU 124 Ca 0.22 0.00 -0.02 0.00 0.34 0.00 0.00 59.36 59.89 3cem h GLU 124 Cb 0.29 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 28.94 3cem h GLU 124 CO -0.01 0.06 -0.12 0.82 -1.16 0.00 0.00 179.01 178.60 3cem h ILE 125 N 0.00 1.00 -3.24 3.13 1.08 -1.43 -3.44 117.51 114.61 3cem h ILE 125 Ca -0.00 -0.41 -0.53 0.00 -0.39 0.00 0.00 64.86 63.54 3cem h ILE 125 Cb 0.27 1.22 0.02 0.00 -3.07 0.00 0.00 36.82 35.27 3cem h ILE 125 CO 0.01 0.11 0.64 -0.70 -0.69 0.00 0.00 178.15 177.52 3cem s GLU 126 N -4.71 4.40 0.16 2.37 2.12 -0.97 -4.99 118.70 117.07 3cem s GLU 126 Ca -0.04 1.96 -0.30 0.00 0.36 0.00 0.00 54.97 56.95 3cem s GLU 126 Cb 0.16 -3.25 -0.07 0.00 0.26 0.00 0.00 34.13 31.22 3cem s GLU 126 CO 0.67 -0.28 1.02 -1.21 -0.54 0.00 0.00 175.26 174.92 3cem s GLU 127 N 0.51 4.67 0.41 4.30 0.41 -1.26 -4.98 118.70 122.76 3cem s GLU 127 Ca 0.59 1.57 -0.25 0.00 -0.41 0.00 0.00 54.97 56.47 3cem s GLU 127 Cb -0.34 -3.32 -0.10 0.00 -1.78 0.00 0.00 34.13 28.58 3cem s GLU 127 CO 0.33 0.19 1.15 -0.25 -0.49 0.00 0.00 175.26 176.20 3cem n ASP 128 N 2.44 1.95 -4.50 -0.19 10.43 -1.26 -4.70 116.55 120.71 3cem n ASP 128 Ca 0.02 1.09 -0.43 0.00 2.57 0.00 0.00 54.79 58.03 3cem n ASP 128 Cb 0.48 -1.43 -0.01 0.00 1.84 0.00 0.00 41.12 42.00 3cem n ASP 128 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 177.20 176.13 3cem s ALA 129 N -1.22 3.49 -0.66 2.24 0.00 -0.21 -4.90 121.76 120.51 3cem s ALA 129 Ca 0.62 -2.95 -0.07 0.00 0.00 0.00 0.00 51.96 49.56 3cem s ALA 129 Cb -0.54 -4.29 -0.15 0.00 0.00 0.00 0.00 23.12 18.14 3cem s ALA 129 CO 0.58 -3.07 3.25 0.41 0.00 0.00 0.00 175.76 176.92 3cem n GLY 130 N 5.17 3.68 2.05 0.00 0.00 -1.26 -2.31 105.19 112.52 3cem n GLY 130 Ca 0.36 -1.43 -0.23 0.00 0.00 0.00 0.00 46.02 44.72 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 2.64 6.71 -3.96 0.99 4.77 -1.19 -1.53 117.00 125.43 3cem n LEU 131 Ca 0.56 -3.58 -0.09 0.00 -0.03 0.00 0.00 56.01 52.88 3cem n LEU 131 Cb 0.62 -0.95 -0.05 0.00 -2.33 0.00 0.00 43.42 40.71 3cem n LEU 131 CO 0.42 1.23 0.24 -0.83 -1.33 0.00 0.00 177.39 177.11 3cem s GLY 132 N -0.76 0.38 -0.16 -0.72 0.00 -1.25 -1.04 107.32 103.77 3cem s GLY 132 Ca 0.46 -0.73 0.11 0.00 0.00 0.00 0.00 44.72 44.55 3cem s GLY 132 CO 0.02 -0.50 0.19 0.70 0.00 0.00 0.00 173.10 173.51 3cem n ASN 133 N -0.40 0.86 0.00 1.64 3.02 -1.26 -4.45 115.26 114.68 3cem n ASN 133 Ca -0.02 0.10 0.00 0.00 -0.03 0.00 0.00 54.58 54.63 3cem n ASN 133 Cb 0.61 0.23 0.00 0.00 -0.61 0.00 0.00 39.78 40.02 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 1.83 -0.69 0.28 7.41 0.00 -1.26 -4.90 105.19 107.86 3cem n GLY 134 Ca -0.31 0.08 -0.08 0.00 0.00 0.00 0.00 46.02 45.71 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 1.03 0.85 -0.02 0.00 -1.98 0.13 103.07 103.07 3cem h GLY 135 Ca 0.00 -0.66 0.02 0.00 0.00 0.00 0.00 47.33 46.69 3cem h GLY 135 CO 0.00 0.61 0.01 -2.00 0.00 0.00 0.00 176.54 175.16 3cem h LEU 136 N 0.86 -0.02 -0.98 3.11 6.46 -1.98 0.76 115.31 123.51 3cem h LEU 136 Ca 0.18 0.02 -0.05 0.00 -0.12 0.00 0.00 57.88 57.91 3cem h LEU 136 Cb 0.37 0.03 -0.03 0.00 -0.73 0.00 0.00 40.66 40.31 3cem h LEU 136 CO 0.00 0.01 0.15 1.23 -0.62 0.00 0.00 178.44 179.21 3cem h GLY 137 N 0.05 0.95 2.00 3.75 0.00 -1.68 -2.75 103.07 105.40 3cem h GLY 137 Ca 0.05 -0.55 -0.16 0.00 0.00 0.00 0.00 47.33 46.68 3cem h GLY 137 CO -0.08 0.52 -0.75 -0.09 0.00 0.00 0.00 176.54 176.14 3cem h ARG 138 N 0.85 0.00 -0.39 4.80 9.65 -0.28 -1.16 114.38 127.85 3cem h ARG 138 Ca 0.19 0.00 -0.03 0.00 -1.10 0.00 0.00 59.98 59.04 3cem h ARG 138 Cb 0.29 0.00 -0.02 0.00 -1.39 0.00 0.00 29.97 28.86 3cem h ARG 138 CO -0.00 0.75 0.12 1.25 2.80 0.00 0.00 179.97 184.88 3cem h LEU 139 N 0.00 0.58 -0.76 3.80 5.85 0.76 -0.12 115.31 125.42 3cem h LEU 139 Ca -0.01 -0.21 0.11 0.00 0.84 0.00 0.00 57.88 58.62 3cem h LEU 139 Cb 1.33 -0.15 -0.08 0.00 0.37 0.00 0.00 40.66 42.13 3cem h LEU 139 CO 0.10 0.64 0.37 0.00 -0.34 0.00 0.00 178.44 179.20 3cem h ALA 140 N 0.97 1.07 -0.36 1.25 0.00 -1.44 -0.49 119.26 120.26 3cem h ALA 140 Ca 0.13 0.07 -0.05 0.00 0.00 0.00 0.00 54.91 55.05 3cem h ALA 140 Cb 0.27 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.02 3cem h ALA 140 CO -0.00 -0.07 0.02 0.00 0.00 0.00 0.00 179.25 179.19 3cem h ALA 141 N 1.48 0.48 -0.59 0.00 0.00 -1.15 -2.14 119.26 117.34 3cem h ALA 141 Ca 0.39 -0.24 -0.07 0.00 0.00 0.00 0.00 54.91 54.99 3cem h ALA 141 Cb 0.47 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.10 3cem h ALA 141 CO -0.31 0.23 0.08 0.00 0.00 0.00 0.00 179.25 179.26 3cem h PHE 143 N 0.90 0.68 -0.57 0.00 -1.00 -1.00 -1.01 116.94 114.94 3cem h PHE 143 Ca 0.18 0.02 -0.03 0.00 2.81 0.00 0.00 57.97 60.96 3cem h PHE 143 Cb 0.41 -0.22 -0.03 0.00 3.61 0.00 0.00 35.95 39.73 3cem h PHE 143 CO 0.03 0.37 0.24 -0.07 -1.61 0.00 0.00 178.31 177.27 3cem h LEU 144 N 0.71 0.77 -0.55 1.54 3.38 -1.07 0.63 115.31 120.71 3cem h LEU 144 Ca 0.26 -0.16 -0.01 0.00 0.09 0.00 0.00 57.88 58.06 3cem h LEU 144 Cb 0.07 -0.20 -0.03 0.00 0.09 0.00 0.00 40.66 40.60 3cem h LEU 144 CO -0.13 0.71 0.30 -0.78 0.09 0.00 0.00 178.44 178.64 3cem h ASP 145 N 0.78 0.68 -0.29 -0.43 3.58 -1.04 -2.00 116.42 117.69 3cem h ASP 145 Ca 0.19 -0.09 -0.05 0.00 0.42 0.00 0.00 57.03 57.51 3cem h ASP 145 Cb 0.17 -0.17 -0.01 0.00 1.72 0.00 0.00 39.33 41.04 3cem h ASP 145 CO -0.02 0.57 0.01 0.28 -2.88 0.00 0.00 179.24 177.20 3cem h SER 146 N 0.74 0.50 -0.85 2.28 0.02 -0.79 -2.35 113.55 113.11 3cem h SER 146 Ca 0.19 -0.30 -0.00 0.00 -0.84 0.00 0.00 61.79 60.84 3cem h SER 146 Cb 0.04 -0.14 -0.04 0.00 0.14 0.00 0.00 62.40 62.40 3cem h SER 146 CO -0.03 0.68 0.52 0.24 -1.14 0.00 0.00 176.83 177.10 3cem h MET 147 N 0.31 1.15 -0.62 3.45 2.86 -0.77 -0.89 114.93 120.43 3cem h MET 147 Ca 0.08 -0.10 -0.03 0.00 -2.06 0.00 0.00 59.70 57.60 3cem h MET 147 Cb 0.42 -0.24 -0.03 0.00 0.06 0.00 0.00 31.60 31.81 3cem h MET 147 CO 0.01 0.80 0.29 0.00 1.06 0.00 0.00 176.91 179.08 3cem h ALA 148 N 1.40 0.80 -0.14 6.32 0.00 -1.29 -2.05 119.26 124.30 3cem h ALA 148 Ca 0.31 -0.14 -0.14 0.00 0.00 0.00 0.00 54.91 54.94 3cem h ALA 148 Cb -0.06 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.48 3cem h ALA 148 CO -0.06 0.37 -0.51 1.15 0.00 0.00 0.00 179.25 180.20 3cem h THR 149 N 0.85 1.34 -0.00 0.00 2.02 -0.81 -1.23 112.91 115.07 3cem h THR 149 Ca 0.21 -1.76 0.00 0.00 0.77 0.00 0.00 66.41 65.63 3cem h THR 149 Cb 0.14 1.79 0.00 0.00 -1.74 0.00 0.00 68.15 68.34 3cem h THR 149 CO -0.02 0.53 -0.02 0.18 0.37 0.00 0.00 175.52 176.56 3cem n LEU 150 N -3.96 0.46 -1.02 2.58 4.77 -0.41 -4.74 117.00 114.68 3cem n LEU 150 Ca -0.02 -0.11 -0.12 0.00 -0.03 0.00 0.00 56.01 55.73 3cem n LEU 150 Cb 0.57 -0.05 -0.05 0.00 -2.33 0.00 0.00 43.42 41.56 3cem n LEU 150 CO 0.45 0.08 -0.12 0.61 -1.33 0.00 0.00 177.39 177.07 3cem n GLY 151 N 1.11 1.11 3.81 -0.72 0.00 -0.47 -1.66 105.19 108.38 3cem n GLY 151 Ca 0.20 -0.44 -0.32 0.00 0.00 0.00 0.00 46.02 45.46 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 -2.93 3.48 -1.16 0.99 1.43 -0.82 -4.17 118.68 115.50 3cem s LEU 152 Ca 0.00 1.77 -0.12 0.00 -1.03 0.00 0.00 54.13 54.75 3cem s LEU 152 Cb 0.00 -4.53 0.22 0.00 0.03 0.00 0.00 46.19 41.91 3cem s LEU 152 CO 0.00 -1.12 1.28 0.00 0.23 0.00 0.00 176.35 176.74 3cem s ALA 153 N -2.53 4.34 0.07 4.21 0.00 -1.26 -4.68 121.76 121.91 3cem s ALA 153 Ca 0.63 -3.58 0.09 0.00 0.00 0.00 0.00 51.96 49.10 3cem s ALA 153 Cb -0.15 -3.87 -0.03 0.00 0.00 0.00 0.00 23.12 19.07 3cem s ALA 153 CO 0.38 -2.51 -0.26 0.00 0.00 0.00 0.00 175.76 173.37 3cem s ALA 154 N 0.27 2.20 -0.01 0.00 0.00 -1.26 -1.31 121.76 121.66 3cem s ALA 154 Ca 0.37 -1.29 0.04 0.00 0.00 0.00 0.00 51.96 51.08 3cem s ALA 154 Cb -0.06 -0.43 -0.01 0.00 0.00 0.00 0.00 23.12 22.62 3cem s ALA 154 CO -0.04 0.51 -0.13 0.71 0.00 0.00 0.00 175.76 176.81 3cem s TYR 155 N -0.88 1.22 -0.07 0.00 2.02 0.09 -4.00 117.35 115.73 3cem s TYR 155 Ca 0.12 -0.24 -0.17 0.00 -0.37 0.00 0.00 57.07 56.40 3cem s TYR 155 Cb -0.10 -0.79 -0.05 0.00 -0.40 0.00 0.00 41.96 40.62 3cem s TYR 155 CO 0.03 -0.03 0.46 0.20 -1.57 0.00 0.00 175.55 174.63 3cem s GLY 156 N -0.26 2.44 -0.09 0.71 0.00 -0.86 -0.70 107.32 108.57 3cem s GLY 156 Ca 0.04 -0.19 0.03 0.00 0.00 0.00 0.00 44.72 44.60 3cem s GLY 156 CO -0.00 0.55 -0.17 -0.19 0.00 0.00 0.00 173.10 173.29 3cem s TYR 157 N -0.02 1.95 0.00 1.90 1.51 -0.37 -0.24 117.35 122.08 3cem s TYR 157 Ca 0.25 -0.82 0.00 0.00 -1.01 0.00 0.00 57.07 55.49 3cem s TYR 157 Cb -0.16 -1.38 0.00 0.00 -0.11 0.00 0.00 41.96 40.32 3cem s TYR 157 CO 0.12 -0.38 0.00 0.41 -1.11 0.00 0.00 175.55 174.58 3cem n GLY 158 N 3.85 3.06 3.63 0.71 0.00 -0.59 -2.16 105.19 113.69 3cem n GLY 158 Ca -0.21 -1.19 -0.35 0.00 0.00 0.00 0.00 46.02 44.28 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 -2.52 4.38 -1.25 -0.61 1.01 -1.26 -0.59 121.20 120.36 3cem s ILE 159 Ca 0.00 -0.20 -0.16 0.00 0.00 0.00 0.00 60.65 60.29 3cem s ILE 159 Cb 0.00 -2.90 0.13 0.00 0.01 0.00 0.00 42.46 39.70 3cem s ILE 159 CO 0.00 0.54 1.57 -0.60 0.00 0.00 0.00 174.94 176.45 3cem s ARG 160 N -0.26 4.05 0.23 2.79 3.52 0.03 -4.74 118.95 124.58 3cem s ARG 160 Ca 0.06 -2.34 -0.32 0.00 -0.13 0.00 0.00 55.73 53.01 3cem s ARG 160 Cb -0.12 -5.27 -0.12 0.00 -1.56 0.00 0.00 34.95 27.88 3cem s ARG 160 CO 0.02 -1.98 1.67 0.66 -0.81 0.00 0.00 175.30 174.87 3cem n TYR 161 N 6.82 2.74 0.27 5.12 4.01 -1.26 -4.77 117.16 130.10 3cem n TYR 161 Ca 0.42 0.12 0.10 0.00 -0.16 0.00 0.00 57.90 58.38 3cem n TYR 161 Cb 0.44 -2.64 0.72 0.00 -0.31 0.00 0.00 39.34 37.55 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 6.13 0.00 -3.98 -0.72 4.81 -0.08 -3.41 114.58 117.33 3cem h GLU 162 Ca -0.44 0.00 -0.42 0.00 -0.13 0.00 0.00 59.36 58.36 3cem h GLU 162 Cb 1.21 0.00 -0.35 0.00 0.63 0.00 0.00 28.75 30.24 3cem h GLU 162 CO 0.90 0.03 -0.77 0.71 -0.73 0.00 0.00 179.01 179.15 3cem s TYR 163 N -4.82 0.79 0.00 0.92 1.51 0.17 -4.29 117.35 111.63 3cem s TYR 163 Ca -0.05 -0.24 0.00 0.00 -1.01 0.00 0.00 57.07 55.78 3cem s TYR 163 Cb 0.16 -0.73 0.00 0.00 -0.11 0.00 0.00 41.96 41.28 3cem s TYR 163 CO 0.63 -0.24 0.00 0.41 -1.11 0.00 0.00 175.55 175.24 3cem n GLY 164 N 4.31 0.40 3.76 0.71 0.00 -1.22 -1.26 105.19 111.89 3cem n GLY 164 Ca -0.21 -1.62 -0.41 0.00 0.00 0.00 0.00 46.02 43.78 3cem n GLY 164 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 3cem s ILE 165 N 0.40 2.28 0.68 -0.61 1.10 -0.58 -4.36 121.20 120.11 3cem s ILE 165 Ca 0.00 0.25 -0.17 0.00 -0.51 0.00 0.00 60.65 60.22 3cem s ILE 165 Cb 0.00 -3.16 0.00 0.00 0.15 0.00 0.00 42.46 39.45 3cem s ILE 165 CO 0.00 0.04 1.17 2.22 -2.11 0.00 0.00 174.94 176.27 3cem n PHE 166 N 1.82 1.44 -2.25 3.50 -1.74 -1.26 -4.56 117.46 114.41 3cem n PHE 166 Ca 0.06 0.41 -0.42 0.00 -0.56 0.00 0.00 57.45 56.94 3cem n PHE 166 Cb 0.39 -2.19 -0.03 0.00 1.52 0.00 0.00 39.48 39.17 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 -1.53 6.89 -0.30 5.98 0.02 -0.31 -4.88 114.94 120.81 3cem s ASN 167 Ca 0.79 2.11 -0.23 0.00 -1.02 0.00 0.00 52.86 54.51 3cem s ASN 167 Cb -0.36 -2.57 -0.00 0.00 0.02 0.00 0.00 41.25 38.34 3cem s ASN 167 CO 0.45 -0.67 0.76 -1.58 0.02 0.00 0.00 177.10 176.07 3cem s GLN 168 N 2.04 3.97 0.11 -0.60 0.74 -1.26 -1.13 119.66 123.54 3cem s GLN 168 Ca 0.63 0.57 0.02 0.00 0.05 0.00 0.00 55.36 56.62 3cem s GLN 168 Cb -0.32 -3.72 -0.04 0.00 1.10 0.00 0.00 33.01 30.04 3cem s GLN 168 CO 0.27 -0.64 0.24 0.15 -0.55 0.00 0.00 175.29 174.75 3cem s LYS 169 N 2.88 3.37 -0.29 1.67 3.01 0.22 -3.71 119.74 126.90 3cem s LYS 169 Ca 0.31 -0.57 -0.02 0.00 -1.01 0.00 0.00 55.97 54.69 3cem s LYS 169 Cb -0.14 -2.96 0.04 0.00 -1.01 0.00 0.00 37.83 33.76 3cem s LYS 169 CO 0.12 0.55 -0.01 0.42 0.51 0.00 0.00 175.35 176.94 3cem s ILE 170 N -1.64 3.02 -0.22 2.17 -1.09 -1.26 0.95 121.20 123.13 3cem s ILE 170 Ca 0.34 -1.24 -0.04 0.00 -2.23 0.00 0.00 60.65 57.48 3cem s ILE 170 Cb -0.12 -2.67 -0.01 0.00 -1.58 0.00 0.00 42.46 38.08 3cem s ILE 170 CO 0.28 -0.01 -0.04 -0.13 -1.23 0.00 0.00 174.94 173.80 3cem s ARG 171 N 1.29 3.39 -1.32 2.79 1.81 0.67 -4.68 118.95 122.89 3cem s ARG 171 Ca -0.03 -0.62 -0.05 0.00 -1.72 0.00 0.00 55.73 53.31 3cem s ARG 171 Cb -0.19 -3.01 0.02 0.00 -0.45 0.00 0.00 34.95 31.32 3cem s ARG 171 CO -0.02 -0.18 0.99 -3.47 -0.68 0.00 0.00 175.30 171.94 3cem n ASP 172 N 4.75 -3.59 0.00 0.23 2.03 -1.26 -1.29 116.55 117.42 3cem n ASP 172 Ca -0.18 -0.66 0.00 0.00 0.52 0.00 0.00 54.79 54.46 3cem n ASP 172 Cb 0.51 -4.68 0.00 0.00 -0.72 0.00 0.00 41.12 36.23 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 -1.58 2.70 3.61 0.27 0.00 -1.26 -5.03 105.19 103.90 3cem n GLY 173 Ca -0.15 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.53 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 -2.55 2.98 0.08 1.61 0.52 -0.41 -3.95 118.94 117.21 3cem s TRP 174 Ca 0.00 0.05 -0.32 0.00 0.02 0.00 0.00 56.10 55.85 3cem s TRP 174 Cb 0.00 -1.71 -0.11 0.00 -1.15 0.00 0.00 33.47 30.51 3cem s TRP 174 CO 0.00 0.37 1.85 0.94 0.02 0.00 0.00 176.95 180.13 3cem n GLN 175 N 2.04 2.65 -4.63 4.98 7.27 -1.26 -0.24 117.38 128.20 3cem n GLN 175 Ca -0.17 0.97 -0.30 0.00 0.07 0.00 0.00 57.00 57.57 3cem n GLN 175 Cb 0.53 -2.85 -0.14 0.00 2.41 0.00 0.00 30.24 30.19 3cem n GLN 175 CO 0.00 0.00 0.00 0.14 0.07 0.00 0.00 177.06 177.27 3cem s VAL 176 N 3.07 2.24 -0.14 1.69 -7.23 0.27 -4.89 120.40 115.40 3cem s VAL 176 Ca 0.85 -1.57 -0.10 0.00 -1.81 0.00 0.00 61.98 59.34 3cem s VAL 176 Cb -0.52 -1.94 -0.05 0.00 0.56 0.00 0.00 36.38 34.43 3cem s VAL 176 CO 0.40 0.22 0.20 -1.61 -0.31 0.00 0.00 175.10 174.00 3cem s GLU 177 N -1.67 3.93 0.05 4.82 8.01 -1.26 -0.61 118.70 131.96 3cem s GLU 177 Ca 0.13 -0.06 0.08 0.00 0.01 0.00 0.00 54.97 55.13 3cem s GLU 177 Cb -0.10 -3.32 -0.03 0.00 -4.31 0.00 0.00 34.13 26.37 3cem s GLU 177 CO 0.04 0.49 -0.23 -1.21 0.01 0.00 0.00 175.26 174.36 3cem s GLU 178 N -0.22 1.52 0.17 1.61 2.02 -0.28 -4.96 118.70 118.56 3cem s GLU 178 Ca 0.14 -1.02 -0.32 0.00 0.02 0.00 0.00 54.97 53.79 3cem s GLU 178 Cb -0.12 -1.67 -0.12 0.00 0.10 0.00 0.00 34.13 32.32 3cem s GLU 178 CO 0.03 0.43 1.74 0.00 0.02 0.00 0.00 175.26 177.48 3cem n ALA 179 N 1.78 2.46 -2.80 5.21 0.00 -1.26 -1.16 120.51 124.73 3cem n ALA 179 Ca -0.17 0.38 -0.43 0.00 0.00 0.00 0.00 53.44 53.22 3cem n ALA 179 Cb 0.53 -2.52 -0.01 0.00 0.00 0.00 0.00 19.45 17.45 3cem n ALA 179 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 3cem s ASP 180 N 1.61 6.85 -1.18 0.00 2.15 -1.26 -4.65 116.67 120.20 3cem s ASP 180 Ca 0.78 -2.48 -0.09 0.00 0.43 0.00 0.00 52.55 51.20 3cem s ASP 180 Cb -0.52 -2.47 -0.13 0.00 -0.30 0.00 0.00 42.92 39.50 3cem s ASP 180 CO 0.35 -1.01 3.05 -0.67 -0.17 0.00 0.00 175.17 176.71 3cem n ASP 181 N 6.94 7.62 0.32 -0.34 2.03 -1.26 -3.37 116.55 128.48 3cem n ASP 181 Ca 0.37 -2.52 0.20 0.00 0.52 0.00 0.00 54.79 53.36 3cem n ASP 181 Cb 0.46 -1.48 1.07 0.00 -0.72 0.00 0.00 41.12 40.44 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 4.61 0.00 -0.43 -0.67 5.08 -1.91 -2.31 115.95 120.32 3cem h TRP 182 Ca 0.68 0.00 0.00 0.00 1.08 0.00 0.00 58.89 60.65 3cem h TRP 182 Cb 0.57 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 26.73 3cem h TRP 182 CO 1.86 0.01 0.00 1.28 -1.28 0.00 0.00 178.44 180.31 3cem n LEU 183 N -3.21 3.34 -0.22 0.11 4.77 -1.26 -4.52 117.00 116.01 3cem n LEU 183 Ca -0.02 -1.49 -0.04 0.00 -0.03 0.00 0.00 56.01 54.43 3cem n LEU 183 Cb 0.12 -0.28 0.03 0.00 -2.33 0.00 0.00 43.42 40.96 3cem n LEU 183 CO 0.23 0.74 0.65 -0.09 -1.33 0.00 0.00 177.39 177.60 3cem h ARG 184 N 4.16 -0.11 -0.31 3.23 2.43 -1.79 -1.41 114.38 120.58 3cem h ARG 184 Ca 0.00 0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.18 3cem h ARG 184 Cb 0.92 0.03 0.00 0.00 -0.42 0.00 0.00 29.97 30.50 3cem h ARG 184 CO 0.00 -0.07 0.00 0.66 -1.51 0.00 0.00 179.97 179.05 3cem n TYR 185 N -5.45 0.40 0.00 2.20 0.53 -1.26 -5.04 117.16 108.55 3cem n TYR 185 Ca 0.06 -0.20 0.00 0.00 -1.02 0.00 0.00 57.90 56.73 3cem n TYR 185 Cb 0.36 0.00 0.00 0.00 -1.03 0.00 0.00 39.34 38.67 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 1.32 1.18 2.69 2.72 0.00 -0.53 -5.03 105.19 107.54 3cem n GLY 186 Ca 0.18 -1.82 -0.28 0.00 0.00 0.00 0.00 46.02 44.09 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 -0.83 3.32 0.00 1.61 2.47 -1.26 -4.84 114.94 115.40 3cem s ASN 187 Ca 0.00 -1.14 0.22 0.00 0.42 0.00 0.00 52.86 52.36 3cem s ASN 187 Cb 0.00 -0.60 1.22 0.00 -1.45 0.00 0.00 41.25 40.42 3cem s ASN 187 CO 0.00 -0.37 1.69 -0.81 -3.72 0.00 0.00 177.10 173.90 3cem n PRO 188 N 5.05 0.53 0.00 0.43 -0.04 -1.26 -2.62 135.00 137.09 3cem n PRO 188 Ca -0.06 0.04 0.11 0.00 -0.04 0.00 0.00 63.50 63.54 3cem n PRO 188 Cb 0.45 -1.50 0.07 0.00 -0.04 0.00 0.00 33.50 32.47 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 -1.12 0.00 -4.28 0.54 7.02 -1.26 -4.92 117.44 113.41 3cem n TRP 189 Ca 0.14 0.00 -0.29 0.00 -1.02 0.00 0.00 57.50 56.33 3cem n TRP 189 Cb 0.11 0.00 -0.11 0.00 -2.42 0.00 0.00 31.31 28.90 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 -2.04 1.91 -0.12 -0.99 -1.05 -1.08 -4.19 118.70 111.14 3cem s GLU 190 Ca 0.24 -1.16 -0.00 0.00 -0.15 0.00 0.00 54.97 53.90 3cem s GLU 190 Cb 0.18 -2.17 0.02 0.00 -0.44 0.00 0.00 34.13 31.73 3cem s GLU 190 CO 0.36 0.48 -0.10 0.21 0.95 0.00 0.00 175.26 177.16 3cem s LYS 191 N -2.28 1.82 0.34 -4.83 2.47 0.66 -4.94 119.74 112.98 3cem s LYS 191 Ca 0.20 -0.37 -0.29 0.00 -1.56 0.00 0.00 55.97 53.95 3cem s LYS 191 Cb -0.10 -1.77 -0.12 0.00 -1.46 0.00 0.00 37.83 34.38 3cem s LYS 191 CO 0.12 -0.25 1.46 0.45 0.16 0.00 0.00 175.35 177.29 3cem n SER 192 N 4.85 3.49 -3.57 1.43 2.88 -1.26 0.87 113.62 122.30 3cem n SER 192 Ca -0.14 1.20 -0.27 0.00 -1.33 0.00 0.00 58.87 58.33 3cem n SER 192 Cb 0.50 -1.57 -0.10 0.00 -0.75 0.00 0.00 64.21 62.29 3cem n SER 192 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 3cem n ARG 193 N 0.96 1.65 -0.26 -1.46 5.12 0.12 -4.88 116.66 117.92 3cem n ARG 193 Ca 0.04 -4.18 0.05 0.00 -1.93 0.00 0.00 57.85 51.84 3cem n ARG 193 Cb 0.37 -2.04 0.19 0.00 -1.16 0.00 0.00 32.46 29.82 3cem n ARG 193 CO 0.00 0.00 0.00 -1.35 -1.93 0.00 0.00 177.63 174.35 3cem h PRO 194 N 4.85 0.43 0.00 5.56 0.11 -1.95 -0.41 132.00 140.60 3cem h PRO 194 Ca 0.17 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 66.26 3cem h PRO 194 Cb 0.76 -0.10 0.00 0.00 0.11 0.00 0.00 31.00 31.78 3cem h PRO 194 CO 0.67 0.29 0.07 -0.85 -0.21 0.00 0.00 178.00 177.97 3cem n GLU 195 N -5.00 0.13 -0.15 1.05 0.00 -1.26 -1.77 120.64 113.64 3cem n GLU 195 Ca 0.14 0.62 0.05 0.00 0.00 0.00 0.00 57.16 57.98 3cem n GLU 195 Cb 0.42 -1.99 0.13 0.00 0.00 0.00 0.00 31.44 30.00 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 -2.21 0.39 -1.59 -1.84 3.72 -0.16 -5.00 117.46 110.76 3cem n PHE 196 Ca -0.01 -0.43 -0.43 0.00 -0.05 0.00 0.00 57.45 56.53 3cem n PHE 196 Cb 0.10 -0.02 -0.00 0.00 -0.94 0.00 0.00 39.48 38.62 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 0.50 1.35 -3.85 -1.08 0.00 -0.73 -4.69 117.12 108.62 3cem n MET 197 Ca 0.11 0.48 -0.12 0.00 -0.00 0.00 0.00 57.70 58.16 3cem n MET 197 Cb 0.40 -1.92 -0.12 0.00 0.00 0.00 0.00 33.22 31.57 3cem n MET 197 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 175.97 175.46 3cem s LEU 198 N 0.09 1.63 0.26 -0.89 1.43 -0.94 -4.97 118.68 115.29 3cem s LEU 198 Ca 0.60 0.09 -0.11 0.00 -1.03 0.00 0.00 54.13 53.69 3cem s LEU 198 Cb -0.63 0.41 -0.08 0.00 0.03 0.00 0.00 46.19 45.92 3cem s LEU 198 CO 0.59 -0.11 0.60 -2.16 0.23 0.00 0.00 176.35 175.50 3cem s PRO 199 N -0.30 3.86 -0.02 1.29 0.04 -1.26 -0.03 135.00 138.58 3cem s PRO 199 Ca -0.04 0.39 0.05 0.00 0.04 0.00 0.00 61.00 61.45 3cem s PRO 199 Cb -0.03 -2.59 -0.01 0.00 0.04 0.00 0.00 34.50 31.91 3cem s PRO 199 CO 0.00 0.27 -0.17 0.08 0.04 0.00 0.00 177.00 177.22 3cem s VAL 200 N -1.86 1.39 0.04 -0.36 1.01 0.51 -4.86 120.40 116.27 3cem s VAL 200 Ca 0.49 -0.74 0.04 0.00 0.00 0.00 0.00 61.98 61.77 3cem s VAL 200 Cb -0.11 -1.17 -0.04 0.00 0.00 0.00 0.00 36.38 35.07 3cem s VAL 200 CO 0.20 0.40 -0.05 -1.00 0.00 0.00 0.00 175.10 174.64 3cem s HIS 201 N -0.30 2.90 0.04 5.22 3.76 -1.26 -0.25 115.29 125.40 3cem s HIS 201 Ca 0.04 -0.05 -0.06 0.00 -0.15 0.00 0.00 55.06 54.84 3cem s HIS 201 Cb -0.08 -1.57 -0.01 0.00 1.11 0.00 0.00 32.58 32.04 3cem s HIS 201 CO -0.00 0.41 0.12 -0.06 -0.85 0.00 0.00 174.74 174.36 3cem s PHE 202 N -1.11 0.18 0.00 1.40 0.08 0.27 -4.97 117.98 113.83 3cem s PHE 202 Ca 0.20 -0.48 0.00 0.00 0.12 0.00 0.00 56.93 56.76 3cem s PHE 202 Cb -0.11 -0.12 0.00 0.00 -0.57 0.00 0.00 43.02 42.22 3cem s PHE 202 CO 0.11 -0.40 0.00 0.66 -0.10 0.00 0.00 175.22 175.50 3cem n TYR 203 N 0.65 0.00 -4.60 0.36 4.02 0.11 -0.90 117.16 116.80 3cem n TYR 203 Ca -0.18 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.71 3cem n TYR 203 Cb 0.59 0.04 0.00 0.00 -0.02 0.00 0.00 39.34 39.95 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 0.34 3.67 2.72 0.00 -1.21 -4.61 105.19 106.10 3cem n GLY 204 Ca 0.00 -0.86 -0.06 0.00 0.00 0.00 0.00 46.02 45.10 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 1.20 -0.07 1.61 -2.85 -0.29 -4.86 119.74 114.48 3cem s LYS 205 Ca 0.00 -0.59 0.03 0.00 -1.00 0.00 0.00 55.97 54.40 3cem s LYS 205 Cb 0.00 0.45 -0.02 0.00 -2.06 0.00 0.00 37.83 36.20 3cem s LYS 205 CO 0.00 -0.54 -0.15 0.08 0.10 0.00 0.00 175.35 174.84 3cem s VAL 206 N -3.39 2.98 -0.07 1.79 1.01 -1.26 -0.49 120.40 120.97 3cem s VAL 206 Ca 0.09 -0.73 0.01 0.00 0.00 0.00 0.00 61.98 61.35 3cem s VAL 206 Cb -0.02 -2.19 0.02 0.00 0.00 0.00 0.00 36.38 34.19 3cem s VAL 206 CO -0.02 0.57 -0.10 -1.61 0.00 0.00 0.00 175.10 173.94 3cem s GLU 207 N -0.35 1.53 -0.84 2.72 2.02 0.04 -4.99 118.70 118.83 3cem s GLU 207 Ca 0.03 -0.33 -0.15 0.00 0.02 0.00 0.00 54.97 54.55 3cem s GLU 207 Cb -0.12 -1.37 0.20 0.00 0.10 0.00 0.00 34.13 32.94 3cem s GLU 207 CO 0.02 -0.07 0.82 -1.01 0.02 0.00 0.00 175.26 175.05 3cem s HIS 208 N 0.98 3.63 0.61 1.61 3.76 -1.26 -0.59 115.29 124.03 3cem s HIS 208 Ca -0.09 -1.86 0.06 0.00 -0.15 0.00 0.00 55.06 53.02 3cem s HIS 208 Cb -0.15 -3.90 0.11 0.00 1.11 0.00 0.00 32.58 29.75 3cem s HIS 208 CO 0.00 -1.08 0.84 0.25 -0.85 0.00 0.00 174.74 173.90 3cem n THR 209 N 4.29 0.00 1.55 1.30 -2.24 -1.06 -4.97 114.28 113.14 3cem n THR 209 Ca 0.15 -1.74 0.14 0.00 -2.27 0.00 0.00 64.05 60.33 3cem n THR 209 Cb 0.47 -0.67 0.78 0.00 -2.10 0.00 0.00 70.33 68.82 3cem n THR 209 CO 0.00 0.00 0.00 -0.46 -0.57 0.00 0.00 175.07 174.04 3cem n ASN 210 N -2.55 0.00 -0.90 3.42 2.04 -1.26 -2.88 115.26 113.13 3cem n ASN 210 Ca 0.16 -0.43 0.08 0.00 -0.44 0.00 0.00 54.58 53.95 3cem n ASN 210 Cb 0.57 -0.18 0.21 0.00 -2.53 0.00 0.00 39.78 37.86 3cem n ASN 210 CO 0.00 0.00 0.00 0.35 -0.44 0.00 0.00 177.26 177.17 3cem n THR 211 N -1.18 0.97 0.00 5.53 -2.24 -1.26 -5.09 114.28 111.01 3cem n THR 211 Ca 0.17 -0.99 0.00 0.00 -2.27 0.00 0.00 64.05 60.96 3cem n THR 211 Cb 0.18 0.52 0.00 0.00 -2.10 0.00 0.00 70.33 68.93 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 0.93 2.13 3.75 3.38 0.00 -1.14 -5.06 105.19 109.18 3cem n GLY 212 Ca 0.16 -2.18 -0.41 0.00 0.00 0.00 0.00 46.02 43.60 3cem n GLY 212 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3cem s THR 213 N -1.79 3.79 -0.12 2.61 2.01 -1.26 -2.57 115.64 118.32 3cem s THR 213 Ca 0.00 1.65 0.02 0.00 0.31 0.00 0.00 61.69 63.67 3cem s THR 213 Cb 0.00 -4.05 0.01 0.00 0.01 0.00 0.00 72.50 68.47 3cem s THR 213 CO 0.00 0.33 -0.18 -0.54 -0.69 0.00 0.00 174.62 173.55 3cem s LYS 214 N -0.80 2.49 -0.32 4.92 -0.14 0.24 -4.84 119.74 121.30 3cem s LYS 214 Ca 0.47 -0.66 -0.13 0.00 -1.36 0.00 0.00 55.97 54.29 3cem s LYS 214 Cb -0.30 -2.06 -0.03 0.00 -1.68 0.00 0.00 37.83 33.77 3cem s LYS 214 CO 0.36 -0.03 0.26 -0.46 -0.76 0.00 0.00 175.35 174.72 3cem s TRP 215 N 0.88 3.22 0.35 3.18 -0.00 -1.26 -0.78 118.94 124.54 3cem s TRP 215 Ca -0.08 -0.03 0.06 0.00 -0.00 0.00 0.00 56.10 56.05 3cem s TRP 215 Cb -0.15 -2.49 -0.03 0.00 -0.00 0.00 0.00 33.47 30.80 3cem s TRP 215 CO -0.01 -0.30 0.23 0.96 -0.00 0.00 0.00 176.95 177.83 3cem s ILE 216 N 1.81 0.18 -1.29 5.86 -4.36 0.36 -4.81 121.20 118.95 3cem s ILE 216 Ca 0.08 -2.00 -0.10 0.00 -0.26 0.00 0.00 60.65 58.37 3cem s ILE 216 Cb -0.17 -2.44 0.10 0.00 1.25 0.00 0.00 42.46 41.20 3cem s ILE 216 CO 0.11 0.00 0.24 0.47 0.24 0.00 0.00 174.94 176.00 3cem n ASP 217 N -1.44 -0.41 -4.88 4.36 8.00 -1.26 -1.13 116.55 119.80 3cem n ASP 217 Ca 0.03 -0.94 -0.30 0.00 0.71 0.00 0.00 54.79 54.29 3cem n ASP 217 Cb 0.63 -1.18 -0.01 0.00 -0.02 0.00 0.00 41.12 40.54 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 -3.29 4.75 0.19 -3.53 -4.23 -1.26 -3.29 115.64 104.98 3cem s THR 218 Ca 0.34 0.70 -0.26 0.00 -1.18 0.00 0.00 61.69 61.29 3cem s THR 218 Cb -0.20 -3.82 -0.08 0.00 1.34 0.00 0.00 72.50 69.74 3cem s THR 218 CO 0.75 -0.87 0.81 -1.10 -0.54 0.00 0.00 174.62 173.67 3cem s GLN 219 N -4.61 4.58 -0.11 3.99 1.11 -0.08 -4.89 119.66 119.65 3cem s GLN 219 Ca 0.53 1.19 -0.04 0.00 0.01 0.00 0.00 55.36 57.05 3cem s GLN 219 Cb -0.10 -3.19 -0.04 0.00 -1.01 0.00 0.00 33.01 28.67 3cem s GLN 219 CO 0.43 0.53 0.04 0.08 0.01 0.00 0.00 175.29 176.37 3cem s VAL 220 N -1.23 4.60 -0.04 1.09 1.01 -1.26 -0.56 120.40 124.02 3cem s VAL 220 Ca 0.38 -0.13 0.04 0.00 0.00 0.00 0.00 61.98 62.28 3cem s VAL 220 Cb -0.23 -2.98 -0.00 0.00 0.00 0.00 0.00 36.38 33.17 3cem s VAL 220 CO 0.26 0.58 -0.16 -0.69 0.00 0.00 0.00 175.10 175.09 3cem s VAL 221 N -0.61 1.35 0.29 2.92 1.01 0.66 -4.48 120.40 121.53 3cem s VAL 221 Ca 0.11 -0.68 -0.17 0.00 0.00 0.00 0.00 61.98 61.24 3cem s VAL 221 Cb -0.12 -1.16 -0.09 0.00 0.00 0.00 0.00 36.38 35.02 3cem s VAL 221 CO 0.02 0.39 0.74 -0.76 0.00 0.00 0.00 175.10 175.49 3cem s LEU 222 N -0.00 4.16 -0.22 3.92 1.43 -0.00 -0.36 118.68 127.60 3cem s LEU 222 Ca -0.02 1.35 -0.00 0.00 -1.03 0.00 0.00 54.13 54.42 3cem s LEU 222 Cb -0.11 -3.92 0.02 0.00 0.03 0.00 0.00 46.19 42.22 3cem s LEU 222 CO 0.02 -0.13 -0.12 0.00 0.23 0.00 0.00 176.35 176.35 3cem s ALA 223 N -1.83 2.56 -0.24 4.21 0.00 0.95 -0.80 121.76 126.63 3cem s ALA 223 Ca 0.50 -1.38 -0.07 0.00 0.00 0.00 0.00 51.96 51.01 3cem s ALA 223 Cb -0.13 -1.49 -0.03 0.00 0.00 0.00 0.00 23.12 21.48 3cem s ALA 223 CO 0.19 -0.66 0.06 -1.17 0.00 0.00 0.00 175.76 174.18 3cem s LEU 224 N 1.30 3.42 0.18 0.00 2.96 0.35 -2.21 118.68 124.68 3cem s LEU 224 Ca 0.01 -0.19 -0.16 0.00 -0.22 0.00 0.00 54.13 53.57 3cem s LEU 224 Cb -0.16 -1.91 -0.07 0.00 0.50 0.00 0.00 46.19 44.56 3cem s LEU 224 CO -0.08 -0.01 0.61 -2.16 -1.32 0.00 0.00 176.35 173.40 3cem s PRO 225 N 1.45 4.05 -0.09 0.98 0.04 -1.26 -0.58 135.00 139.59 3cem s PRO 225 Ca 0.05 0.60 0.04 0.00 0.04 0.00 0.00 61.00 61.74 3cem s PRO 225 Cb -0.15 -2.88 -0.00 0.00 0.04 0.00 0.00 34.50 31.51 3cem s PRO 225 CO 0.03 0.43 -0.23 0.71 0.04 0.00 0.00 177.00 177.98 3cem s TYR 226 N -1.52 2.45 -0.15 0.56 2.02 0.05 -0.70 117.35 120.05 3cem s TYR 226 Ca 0.40 -0.95 -0.08 0.00 -0.37 0.00 0.00 57.07 56.08 3cem s TYR 226 Cb -0.15 -1.64 -0.04 0.00 -0.40 0.00 0.00 41.96 39.73 3cem s TYR 226 CO 0.20 -0.37 0.12 -0.51 -1.57 0.00 0.00 175.55 173.41 3cem s ASP 227 N 0.27 6.18 -0.05 2.29 -0.00 0.25 -1.44 116.67 124.18 3cem s ASP 227 Ca -0.16 0.33 0.06 0.00 -0.00 0.00 0.00 52.55 52.77 3cem s ASP 227 Cb -0.17 -2.03 -0.02 0.00 -0.00 0.00 0.00 42.92 40.70 3cem s ASP 227 CO 0.08 0.30 -0.22 -0.89 -0.00 0.00 0.00 175.17 174.44 3cem s THR 228 N -0.38 2.36 0.34 -1.27 2.01 -0.22 -0.24 115.64 118.24 3cem s THR 228 Ca 0.11 -0.97 -0.26 0.00 0.31 0.00 0.00 61.69 60.88 3cem s THR 228 Cb -0.12 -1.87 -0.09 0.00 0.01 0.00 0.00 72.50 70.43 3cem s THR 228 CO 0.01 0.58 1.03 -2.16 -0.69 0.00 0.00 174.62 173.39 3cem s PRO 229 N -0.41 4.44 -0.55 4.92 0.04 -1.26 -0.68 135.00 141.49 3cem s PRO 229 Ca 0.04 1.55 0.04 0.00 0.04 0.00 0.00 61.00 62.67 3cem s PRO 229 Cb -0.12 -2.83 0.15 0.00 0.04 0.00 0.00 34.50 31.73 3cem s PRO 229 CO 0.02 0.10 0.33 0.08 0.04 0.00 0.00 177.00 177.57 3cem s VAL 230 N -1.47 2.31 0.07 -0.36 1.01 0.12 -4.85 120.40 117.23 3cem s VAL 230 Ca 0.51 -3.42 -0.30 0.00 0.00 0.00 0.00 61.98 58.76 3cem s VAL 230 Cb -0.24 -2.57 -0.06 0.00 0.00 0.00 0.00 36.38 33.51 3cem s VAL 230 CO 0.31 -0.91 1.17 -2.16 0.00 0.00 0.00 175.10 173.51 3cem s PRO 231 N -0.50 4.46 0.98 2.72 0.04 -1.26 -1.17 135.00 140.26 3cem s PRO 231 Ca 0.20 1.73 -0.12 0.00 0.04 0.00 0.00 61.00 62.86 3cem s PRO 231 Cb -0.17 -3.35 0.18 0.00 0.04 0.00 0.00 34.50 31.20 3cem s PRO 231 CO -0.06 -0.20 1.08 0.20 0.04 0.00 0.00 177.00 178.06 3cem s GLY 232 N 0.91 1.60 -0.34 0.56 0.00 0.81 -4.81 107.32 106.05 3cem s GLY 232 Ca 0.57 -0.01 -0.29 0.00 0.00 0.00 0.00 44.72 44.99 3cem s GLY 232 CO 0.30 0.54 1.11 -0.47 0.00 0.00 0.00 173.10 174.57 3cem s TYR 233 N -2.78 3.06 -1.26 1.90 5.04 -1.26 -4.30 117.35 117.75 3cem s TYR 233 Ca 0.65 1.10 -0.06 0.00 -2.44 0.00 0.00 57.07 56.32 3cem s TYR 233 Cb -0.20 -3.81 -0.01 0.00 0.35 0.00 0.00 41.96 38.29 3cem s TYR 233 CO 0.59 -0.93 0.68 -1.33 -1.34 0.00 0.00 175.55 173.22 3cem n MET 234 N 7.04 -3.34 0.00 4.97 2.81 -0.21 -4.93 117.12 123.46 3cem n MET 234 Ca 0.12 0.55 0.00 0.00 -1.81 0.00 0.00 57.70 56.56 3cem n MET 234 Cb 0.47 -4.79 0.00 0.00 -0.71 0.00 0.00 33.22 28.19 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 -2.95 0.00 -0.80 7.83 0.23 -1.26 -5.05 115.26 113.26 3cem n ASN 235 Ca -0.23 0.00 0.08 0.00 -0.53 0.00 0.00 54.58 53.90 3cem n ASN 235 Cb 0.65 0.00 0.15 0.00 -2.08 0.00 0.00 39.78 38.50 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 0.00 2.86 -4.74 0.53 3.02 -1.26 -4.91 115.26 110.76 3cem n ASN 236 Ca 0.00 -1.84 -0.36 0.00 -0.03 0.00 0.00 54.58 52.35 3cem n ASN 236 Cb 0.00 -0.17 -0.07 0.00 -0.61 0.00 0.00 39.78 38.93 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 -1.18 5.34 -0.17 3.41 2.01 -1.26 -4.75 115.64 119.03 3cem s THR 237 Ca 0.27 0.44 -0.00 0.00 0.31 0.00 0.00 61.69 62.70 3cem s THR 237 Cb 0.16 -3.58 0.04 0.00 0.01 0.00 0.00 72.50 69.13 3cem s THR 237 CO 0.22 0.42 -0.06 -0.69 -0.69 0.00 0.00 174.62 173.83 3cem s VAL 238 N 0.29 1.15 0.46 3.82 1.01 -1.26 -0.14 120.40 125.73 3cem s VAL 238 Ca 0.14 -0.66 0.00 0.00 0.00 0.00 0.00 61.98 61.47 3cem s VAL 238 Cb -0.13 -1.32 0.09 0.00 0.00 0.00 0.00 36.38 35.03 3cem s VAL 238 CO 0.03 0.13 0.63 0.59 0.00 0.00 0.00 175.10 176.48 3cem n ASN 239 N 4.86 0.88 -4.21 3.32 5.03 -0.32 -4.68 115.26 120.14 3cem n ASN 239 Ca -0.12 -1.73 -0.28 0.00 0.87 0.00 0.00 54.58 53.31 3cem n ASN 239 Cb 0.48 -0.41 -0.16 0.00 -1.02 0.00 0.00 39.78 38.67 3cem n ASN 239 CO 0.00 0.00 0.00 -0.89 -1.83 0.00 0.00 177.26 174.54 3cem s THR 240 N -1.86 1.69 -0.33 3.41 2.01 -1.26 0.16 115.64 119.47 3cem s THR 240 Ca 0.42 -0.89 -0.09 0.00 0.31 0.00 0.00 61.69 61.44 3cem s THR 240 Cb -0.02 -1.42 0.01 0.00 0.01 0.00 0.00 72.50 71.07 3cem s THR 240 CO 0.28 0.48 0.15 -0.32 -0.69 0.00 0.00 174.62 174.52 3cem s MET 241 N -0.28 3.12 -0.25 4.92 1.75 0.14 -2.02 119.30 126.68 3cem s MET 241 Ca 0.02 -0.86 -0.07 0.00 -1.25 0.00 0.00 55.69 53.53 3cem s MET 241 Cb -0.10 -3.57 -0.02 0.00 2.84 0.00 0.00 34.83 33.98 3cem s MET 241 CO 0.01 -0.51 0.05 0.50 -0.65 0.00 0.00 175.02 174.42 3cem s ARG 242 N 1.57 3.51 -0.10 4.11 3.52 0.67 -1.05 118.95 131.17 3cem s ARG 242 Ca 0.03 -0.57 0.03 0.00 -0.13 0.00 0.00 55.73 55.09 3cem s ARG 242 Cb -0.18 -3.28 0.01 0.00 -1.56 0.00 0.00 34.95 29.94 3cem s ARG 242 CO 0.05 -0.24 -0.20 -0.51 -0.81 0.00 0.00 175.30 173.60 3cem s LEU 243 N 1.57 1.94 0.06 -0.88 1.43 -0.52 -1.54 118.68 120.75 3cem s LEU 243 Ca 0.06 -0.49 -0.18 0.00 -1.03 0.00 0.00 54.13 52.48 3cem s LEU 243 Cb -0.15 -1.25 -0.06 0.00 0.03 0.00 0.00 46.19 44.76 3cem s LEU 243 CO 0.02 0.10 0.53 0.26 0.23 0.00 0.00 176.35 177.49 3cem s TRP 244 N 0.60 3.77 -0.08 0.29 0.52 0.24 -0.77 118.94 123.52 3cem s TRP 244 Ca -0.14 1.19 0.03 0.00 0.02 0.00 0.00 56.10 57.20 3cem s TRP 244 Cb -0.17 -2.44 -0.02 0.00 -1.15 0.00 0.00 33.47 29.70 3cem s TRP 244 CO 0.04 0.59 -0.17 0.45 0.02 0.00 0.00 176.95 177.88 3cem s SER 245 N -1.16 3.76 0.00 2.95 0.15 0.25 -0.79 113.70 118.86 3cem s SER 245 Ca 0.29 -0.33 -0.29 0.00 0.70 0.00 0.00 55.95 56.32 3cem s SER 245 Cb -0.18 -1.09 -0.03 0.00 -1.71 0.00 0.00 66.02 63.00 3cem s SER 245 CO 0.18 0.26 0.95 0.00 1.20 0.00 0.00 173.24 175.83 3cem s ALA 246 N -0.23 3.19 0.13 5.45 0.00 -1.26 -0.49 121.76 128.54 3cem s ALA 246 Ca 0.00 0.50 0.05 0.00 0.00 0.00 0.00 51.96 52.51 3cem s ALA 246 Cb -0.13 -3.29 -0.04 0.00 0.00 0.00 0.00 23.12 19.65 3cem s ALA 246 CO 0.03 -0.20 -0.11 1.03 0.00 0.00 0.00 175.76 176.51 3cem s ARG 247 N 0.89 0.99 0.29 0.00 1.81 0.02 -4.52 118.95 118.44 3cem s ARG 247 Ca 0.50 -1.32 -0.21 0.00 -1.72 0.00 0.00 55.73 52.98 3cem s ARG 247 Cb -0.21 -0.67 -0.09 0.00 -0.45 0.00 0.00 34.95 33.53 3cem s ARG 247 CO 0.27 0.10 0.81 0.00 -0.68 0.00 0.00 175.30 175.81 3cem s ALA 248 N -2.77 3.31 0.68 2.13 0.00 -1.26 -0.82 121.76 123.01 3cem s ALA 248 Ca 0.12 0.27 -0.12 0.00 0.00 0.00 0.00 51.96 52.23 3cem s ALA 248 Cb -0.01 -2.95 0.00 0.00 0.00 0.00 0.00 23.12 20.17 3cem s ALA 248 CO 0.01 0.27 1.07 -1.25 0.00 0.00 0.00 175.76 175.86 3cem s PRO 249 N -2.25 2.90 0.19 0.00 0.04 -1.26 -4.78 135.00 129.83 3cem s PRO 249 Ca 0.48 1.10 0.23 0.00 0.04 0.00 0.00 61.00 62.86 3cem s PRO 249 Cb -0.16 -1.98 0.06 0.00 0.04 0.00 0.00 34.50 32.46 3cem s PRO 249 CO 0.20 -1.13 1.09 -0.91 0.04 0.00 0.00 177.00 176.29 3cem h ASN 250 N -0.40 0.00 -2.05 6.66 -0.26 -1.99 -3.37 115.58 114.16 3cem h ASN 250 Ca -0.45 -0.05 -0.65 0.00 -0.56 0.00 0.00 56.30 54.59 3cem h ASN 250 Cb 1.22 0.00 -0.14 0.00 -1.06 0.00 0.00 38.32 38.34 3cem h ASN 250 CO 0.56 0.03 1.00 -1.81 -1.06 0.00 0.00 177.43 176.15 3cem s ASP 251 N -5.12 6.49 0.00 5.81 1.01 -1.26 -5.27 116.67 118.33 3cem s ASP 251 Ca 0.01 -1.61 0.00 0.00 0.71 0.00 0.00 52.55 51.65 3cem s ASP 251 Cb 0.10 -2.46 0.00 0.00 1.01 0.00 0.00 42.92 41.57 3cem s ASP 251 CO 0.78 -1.30 0.00 0.49 0.21 0.00 0.00 175.17 175.35 3cem n PHE 252 N 7.59 0.00 0.00 4.23 3.72 -1.26 -5.14 117.46 126.60 3cem n PHE 252 Ca 0.21 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.61 3cem n PHE 252 Cb 0.49 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.03 3cem n PHE 252 CO 0.00 0.00 0.00 -3.47 -0.05 0.00 0.00 176.76 173.24 3cem n ASP 261 N 0.00 0.00 -0.01 4.37 4.64 -1.26 -5.06 116.55 119.23 3cem n ASP 261 Ca 0.00 0.00 -0.11 0.00 -1.38 0.00 0.00 54.79 53.30 3cem n ASP 261 Cb 0.00 0.00 -0.05 0.00 -1.04 0.00 0.00 41.12 40.03 3cem n ASP 261 CO 0.00 0.00 0.00 0.22 -0.82 0.00 0.00 177.20 176.60 3cem h TYR 262 N 0.10 0.15 -0.16 -0.67 3.20 -2.06 -2.09 116.97 115.45 3cem h TYR 262 Ca 0.00 -0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.87 3cem h TYR 262 Cb 0.00 -0.05 -0.01 0.00 1.54 0.00 0.00 36.73 38.21 3cem h TYR 262 CO 0.00 0.15 0.10 0.82 -1.64 0.00 0.00 178.16 177.59 3cem h ILE 263 N 0.11 1.03 -0.90 1.81 1.08 -2.06 -1.62 117.51 116.97 3cem h ILE 263 Ca 0.04 -0.07 0.02 0.00 -0.39 0.00 0.00 64.86 64.46 3cem h ILE 263 Cb 0.04 0.81 -0.05 0.00 -3.07 0.00 0.00 36.82 34.55 3cem h ILE 263 CO -0.01 0.04 0.60 -0.61 -0.69 0.00 0.00 178.15 177.48 3cem h GLN 264 N 0.21 1.14 -0.49 2.37 5.75 -1.99 -1.69 115.11 120.42 3cem h GLN 264 Ca 0.06 -0.07 -0.06 0.00 -0.15 0.00 0.00 58.65 58.43 3cem h GLN 264 Cb -0.02 -0.26 -0.02 0.00 1.07 0.00 0.00 27.48 28.25 3cem h GLN 264 CO -0.02 0.75 0.07 0.00 -2.65 0.00 0.00 178.83 176.98 3cem h ALA 265 N 1.46 1.20 -0.40 3.38 0.00 -0.96 0.55 119.26 124.49 3cem h ALA 265 Ca 0.35 -0.22 -0.06 0.00 0.00 0.00 0.00 54.91 54.97 3cem h ALA 265 Cb -0.05 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.53 3cem h ALA 265 CO -0.09 0.54 -0.00 0.28 0.00 0.00 0.00 179.25 179.97 3cem h VAL 266 N 0.73 1.26 -0.25 0.00 2.07 -0.53 -3.02 116.25 116.51 3cem h VAL 266 Ca 0.15 -1.01 0.02 0.00 0.82 0.00 0.00 66.70 66.68 3cem h VAL 266 Cb 0.35 1.14 -0.02 0.00 -1.52 0.00 0.00 31.29 31.24 3cem h VAL 266 CO 0.01 0.34 0.11 -0.07 0.02 0.00 0.00 177.57 177.98 3cem h LEU 267 N 0.53 0.16 -1.94 2.57 3.38 -1.13 -2.73 115.31 116.16 3cem h LEU 267 Ca 0.11 0.02 0.00 0.00 0.09 0.00 0.00 57.88 58.10 3cem h LEU 267 Cb 0.48 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 41.22 3cem h LEU 267 CO 0.02 0.13 0.18 0.44 0.09 0.00 0.00 178.44 179.29 3cem h ASP 268 N 0.25 0.00 -0.97 -0.43 3.32 -0.77 0.12 116.42 117.93 3cem h ASP 268 Ca 0.11 0.00 0.26 0.00 0.02 0.00 0.00 57.03 57.42 3cem h ASP 268 Cb 0.04 0.00 -0.06 0.00 0.22 0.00 0.00 39.33 39.54 3cem h ASP 268 CO -0.08 0.00 0.67 0.03 -1.72 0.00 0.00 179.24 178.14 3cem h ARG 269 N 0.00 0.18 -1.04 3.56 3.08 -1.37 0.11 114.38 118.91 3cem h ARG 269 Ca 0.00 -0.01 0.28 0.00 0.07 0.00 0.00 59.98 60.32 3cem h ARG 269 Cb 0.35 -0.04 -0.12 0.00 0.08 0.00 0.00 29.97 30.24 3cem h ARG 269 CO 0.00 0.12 0.64 -0.91 -1.07 0.00 0.00 179.97 178.74 3cem h ASN 270 N 0.18 0.54 -0.60 7.04 -0.26 -0.96 -2.30 115.58 119.24 3cem h ASN 270 Ca 0.49 0.13 0.10 0.00 -0.56 0.00 0.00 56.30 56.46 3cem h ASN 270 Cb 1.62 0.05 -0.07 0.00 -1.06 0.00 0.00 38.32 38.85 3cem h ASN 270 CO -0.11 0.04 0.19 -0.07 -1.06 0.00 0.00 177.43 176.43 3cem h LEU 271 N 0.45 0.16 -0.06 1.61 3.38 -1.17 -0.77 115.31 118.90 3cem h LEU 271 Ca 0.65 0.09 -0.01 0.00 0.09 0.00 0.00 57.88 58.70 3cem h LEU 271 Cb 1.48 0.08 -0.00 0.00 0.09 0.00 0.00 40.66 42.31 3cem h LEU 271 CO -0.43 0.10 -0.01 0.00 0.09 0.00 0.00 178.44 178.19 3cem h ALA 272 N 1.43 0.07 0.00 1.53 0.00 -1.56 -2.88 119.26 117.85 3cem h ALA 272 Ca 0.30 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 55.03 3cem h ALA 272 Cb 0.40 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.17 3cem h ALA 272 CO -0.33 -0.24 0.00 0.93 0.00 0.00 0.00 179.25 179.62 3cem h GLU 273 N -0.21 0.00 0.00 0.00 5.08 -1.37 -2.51 114.58 115.57 3cem h GLU 273 Ca 0.01 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.37 3cem h GLU 273 Cb 0.36 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.61 3cem h GLU 273 CO 0.00 0.00 0.00 -0.91 -1.00 0.00 0.00 179.01 177.10 3cem h ASN 274 N 0.00 0.00 -0.57 1.42 -0.26 -0.91 -3.07 115.58 112.20 3cem h ASN 274 Ca 0.00 0.00 -0.01 0.00 -0.56 0.00 0.00 56.30 55.73 3cem h ASN 274 Cb 0.11 0.00 -0.03 0.00 -1.06 0.00 0.00 38.32 37.34 3cem h ASN 274 CO 0.00 0.00 0.32 0.40 -1.06 0.00 0.00 177.43 177.09 3cem h ILE 275 N 0.00 1.18 -0.41 2.81 2.04 -1.62 -1.35 117.51 120.17 3cem h ILE 275 Ca 0.00 -0.44 -0.16 0.00 1.00 0.00 0.00 64.86 65.27 3cem h ILE 275 Cb 0.15 0.38 -0.09 0.00 -0.74 0.00 0.00 36.82 36.52 3cem h ILE 275 CO 0.00 0.19 0.04 -1.54 0.00 0.00 0.00 178.15 176.84 3cem n SER 276 N -4.39 3.21 -0.05 1.72 3.41 -1.16 -4.65 113.62 111.70 3cem n SER 276 Ca 0.05 -3.48 -0.13 0.00 -0.26 0.00 0.00 58.87 55.06 3cem n SER 276 Cb 0.09 -0.63 -0.07 0.00 -0.26 0.00 0.00 64.21 63.34 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 1.37 0.34 -3.35 4.33 2.43 -1.29 -0.80 114.38 117.41 3cem h ARG 277 Ca 0.19 -0.18 -0.17 0.00 -0.81 0.00 0.00 59.98 59.01 3cem h ARG 277 Cb 1.75 0.01 -0.25 0.00 -0.42 0.00 0.00 29.97 31.06 3cem h ARG 277 CO 0.43 0.73 -0.50 0.54 -1.51 0.00 0.00 179.97 179.66 3cem s VAL 278 N -4.29 0.02 0.13 0.20 0.11 -1.26 -0.65 120.40 114.66 3cem s VAL 278 Ca -0.14 -0.20 -0.31 0.00 -2.93 0.00 0.00 61.98 58.40 3cem s VAL 278 Cb 0.05 -0.31 -0.08 0.00 -1.53 0.00 0.00 36.38 34.51 3cem s VAL 278 CO 0.75 -0.11 1.35 -0.22 -3.33 0.00 0.00 175.10 173.54 3cem s LEU 279 N -0.33 4.38 0.03 2.54 2.96 -0.39 -4.97 118.68 122.90 3cem s LEU 279 Ca -0.04 2.31 -0.30 0.00 -0.22 0.00 0.00 54.13 55.87 3cem s LEU 279 Cb -0.03 -3.59 -0.06 0.00 0.50 0.00 0.00 46.19 43.01 3cem s LEU 279 CO 0.01 -0.61 1.32 -0.31 -1.32 0.00 0.00 176.35 175.44 3cem s TYR 280 N 0.89 3.13 -0.37 5.38 2.02 -1.26 -4.83 117.35 122.31 3cem s TYR 280 Ca 0.62 1.02 0.04 0.00 -0.37 0.00 0.00 57.07 58.39 3cem s TYR 280 Cb -0.36 -3.57 0.56 0.00 -0.40 0.00 0.00 41.96 38.19 3cem s TYR 280 CO 0.32 -1.98 1.73 -0.35 -1.57 0.00 0.00 175.55 173.70 3cem n PRO 281 N 4.67 2.28 -2.94 -1.71 -0.04 -1.26 -4.92 135.00 131.08 3cem n PRO 281 Ca 0.11 -2.49 -0.41 0.00 -0.04 0.00 0.00 63.50 60.67 3cem n PRO 281 Cb 0.44 -1.99 -0.05 0.00 -0.04 0.00 0.00 33.50 31.87 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 -0.86 6.82 -0.26 3.54 0.01 -1.26 -4.46 114.94 118.47 3cem s ASN 282 Ca 0.47 1.01 -0.15 0.00 -0.71 0.00 0.00 52.86 53.48 3cem s ASN 282 Cb 0.39 -2.42 -0.04 0.00 0.41 0.00 0.00 41.25 39.59 3cem s ASN 282 CO 0.09 -0.44 0.39 -0.62 -1.51 0.00 0.00 177.10 175.01 3cem s ASP 283 N 1.29 6.29 -1.24 -1.22 -1.08 -1.26 -4.46 116.67 114.99 3cem s ASP 283 Ca 0.34 0.34 -0.06 0.00 -0.52 0.00 0.00 52.55 52.65 3cem s ASP 283 Cb -0.16 -2.22 0.01 0.00 -1.46 0.00 0.00 42.92 39.09 3cem s ASP 283 CO 0.09 -0.17 1.07 0.59 0.52 0.00 0.00 175.17 177.27 3cem n ASN 284 N 5.20 -4.98 -3.68 -0.34 4.13 -1.26 -5.00 115.26 109.34 3cem n ASN 284 Ca -0.08 -0.53 -0.10 0.00 1.68 0.00 0.00 54.58 55.55 3cem n ASN 284 Cb 0.51 -4.80 -0.09 0.00 -1.54 0.00 0.00 39.78 33.86 3cem n ASN 284 CO 0.00 0.00 0.00 0.12 0.28 0.00 0.00 177.26 177.66 3cem s PHE 285 N -3.31 -0.74 -0.18 3.10 5.36 -1.26 -4.40 117.98 116.54 3cem s PHE 285 Ca 0.40 1.57 -0.22 0.00 -0.96 0.00 0.00 56.93 57.71 3cem s PHE 285 Cb -0.17 0.37 -0.02 0.00 -0.34 0.00 0.00 43.02 42.86 3cem s PHE 285 CO 0.69 -0.39 0.68 0.12 -1.46 0.00 0.00 175.22 174.85 3cem s PHE 286 N 1.34 3.40 -0.20 10.12 5.36 0.26 -4.83 117.98 133.43 3cem s PHE 286 Ca -0.09 1.02 0.01 0.00 -0.96 0.00 0.00 56.93 56.92 3cem s PHE 286 Cb -0.07 -2.84 0.03 0.00 -0.34 0.00 0.00 43.02 39.80 3cem s PHE 286 CO -0.13 -0.17 -0.15 -2.00 -1.46 0.00 0.00 175.22 171.31 3cem s GLU 287 N 1.87 2.54 -0.19 10.12 2.12 -1.26 -4.93 118.70 128.97 3cem s GLU 287 Ca 0.31 -0.90 -0.04 0.00 0.36 0.00 0.00 54.97 54.70 3cem s GLU 287 Cb -0.16 -2.54 -0.08 0.00 0.26 0.00 0.00 34.13 31.61 3cem s GLU 287 CO 0.11 -0.33 2.99 0.41 -0.54 0.00 0.00 175.26 177.90 3cem n GLY 288 N 4.61 3.53 3.74 -1.50 0.00 -1.26 -4.93 105.19 109.38 3cem n GLY 288 Ca -0.18 -1.30 -0.41 0.00 0.00 0.00 0.00 46.02 44.13 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 -0.34 4.57 0.21 1.61 -0.14 -1.26 -4.96 119.74 119.44 3cem s LYS 289 Ca 0.53 1.74 -0.09 0.00 -1.36 0.00 0.00 55.97 56.80 3cem s LYS 289 Cb 0.30 -3.27 0.29 0.00 -1.68 0.00 0.00 37.83 33.47 3cem s LYS 289 CO -0.08 0.04 1.77 1.49 -0.76 0.00 0.00 175.35 177.82 3cem h GLU 290 N 5.14 0.53 -0.96 1.68 4.81 -2.00 -2.00 114.58 121.77 3cem h GLU 290 Ca -0.44 -0.03 0.19 0.00 -0.13 0.00 0.00 59.36 58.94 3cem h GLU 290 Cb 1.21 -0.12 -0.09 0.00 0.63 0.00 0.00 28.75 30.39 3cem h GLU 290 CO 0.73 0.35 0.61 1.25 -0.73 0.00 0.00 179.01 181.21 3cem h LEU 291 N 0.54 0.64 -0.58 1.64 5.85 -1.99 -0.96 115.31 120.44 3cem h LEU 291 Ca 0.32 0.07 -0.11 0.00 0.84 0.00 0.00 57.88 58.99 3cem h LEU 291 Cb 0.33 -0.05 -0.02 0.00 0.37 0.00 0.00 40.66 41.29 3cem h LEU 291 CO -0.26 0.26 -0.08 -0.09 -0.34 0.00 0.00 178.44 177.93 3cem h ARG 292 N 0.64 1.05 -0.56 1.25 9.65 -1.76 -0.71 114.38 123.94 3cem h ARG 292 Ca 0.52 -0.37 -0.03 0.00 -1.10 0.00 0.00 59.98 58.99 3cem h ARG 292 Cb 0.96 -0.07 -0.02 0.00 -1.39 0.00 0.00 29.97 29.44 3cem h ARG 292 CO -0.27 1.07 0.23 1.25 2.80 0.00 0.00 179.97 185.04 3cem h LEU 293 N 0.94 0.78 -0.89 3.80 5.85 -0.89 -1.55 115.31 123.34 3cem h LEU 293 Ca 0.15 -0.17 0.02 0.00 0.84 0.00 0.00 57.88 58.72 3cem h LEU 293 Cb 0.65 -0.20 -0.05 0.00 0.37 0.00 0.00 40.66 41.43 3cem h LEU 293 CO 0.04 0.73 0.58 0.11 -0.34 0.00 0.00 178.44 179.57 3cem h LYS 294 N 0.77 1.13 -0.50 1.25 1.57 -1.00 -1.48 116.57 118.31 3cem h LYS 294 Ca 0.19 -0.07 -0.02 0.00 -1.87 0.00 0.00 60.65 58.88 3cem h LYS 294 Cb 0.20 -0.26 -0.02 0.00 0.08 0.00 0.00 32.23 32.23 3cem h LYS 294 CO -0.02 0.75 0.22 1.96 -0.57 0.00 0.00 179.45 181.80 3cem h GLN 295 N 1.17 0.70 -0.18 3.15 4.20 -0.20 0.55 115.11 124.50 3cem h GLN 295 Ca 0.34 -0.09 -0.13 0.00 0.06 0.00 0.00 58.65 58.83 3cem h GLN 295 Cb -0.07 -0.13 0.00 0.00 0.30 0.00 0.00 27.48 27.58 3cem h GLN 295 CO -0.09 0.56 -0.39 0.93 -0.67 0.00 0.00 178.83 179.17 3cem h GLU 296 N 0.70 0.58 -0.13 1.46 5.08 -0.80 -2.01 114.58 119.47 3cem h GLU 296 Ca 0.17 -0.39 -0.22 0.00 -1.00 0.00 0.00 59.36 57.92 3cem h GLU 296 Cb 0.10 0.05 0.01 0.00 0.50 0.00 0.00 28.75 29.41 3cem h GLU 296 CO -0.02 1.00 -0.81 -0.92 -1.00 0.00 0.00 179.01 177.26 3cem h TYR 297 N 0.25 1.00 -0.48 4.33 3.20 -1.01 -2.89 116.97 121.37 3cem h TYR 297 Ca 0.00 -0.46 0.10 0.00 3.14 0.00 0.00 58.73 61.51 3cem h TYR 297 Cb 0.99 -0.15 -0.10 0.00 1.54 0.00 0.00 36.73 39.02 3cem h TYR 297 CO 0.09 1.28 -0.20 0.35 -1.64 0.00 0.00 178.16 178.05 3cem h PHE 298 N 0.49 -0.48 -0.00 -3.82 3.57 -0.76 0.37 116.94 116.31 3cem h PHE 298 Ca -0.06 0.05 -0.17 0.00 3.53 0.00 0.00 57.97 61.32 3cem h PHE 298 Cb 1.43 0.29 -0.02 0.00 2.79 0.00 0.00 35.95 40.44 3cem h PHE 298 CO 0.08 -0.28 -0.81 -0.24 -2.23 0.00 0.00 178.31 174.83 3cem h VAL 299 N -0.09 1.55 -0.05 1.41 3.04 -1.31 -2.81 116.25 117.98 3cem h VAL 299 Ca 0.23 -2.67 -0.18 0.00 -1.01 0.00 0.00 66.70 63.06 3cem h VAL 299 Cb 0.44 2.46 0.01 0.00 -2.01 0.00 0.00 31.29 32.19 3cem h VAL 299 CO -0.54 0.77 -0.68 0.58 -1.01 0.00 0.00 177.57 176.69 3cem h VAL 300 N 0.03 1.36 0.35 1.51 2.07 -1.22 -1.45 116.25 118.90 3cem h VAL 300 Ca -0.02 -2.02 -0.02 0.00 0.82 0.00 0.00 66.70 65.47 3cem h VAL 300 Cb 1.42 2.36 0.00 0.00 -1.52 0.00 0.00 31.29 33.56 3cem h VAL 300 CO 0.11 0.61 -0.17 0.00 0.02 0.00 0.00 177.57 178.14 3cem h ALA 301 N 0.41 -0.47 -0.64 1.67 0.00 -0.25 0.18 119.26 120.16 3cem h ALA 301 Ca -0.07 -0.18 0.12 0.00 0.00 0.00 0.00 54.91 54.78 3cem h ALA 301 Cb 1.35 0.18 -0.09 0.00 0.00 0.00 0.00 17.79 19.23 3cem h ALA 301 CO 0.14 -0.61 0.19 0.00 0.00 0.00 0.00 179.25 178.97 3cem h ALA 302 N -0.30 0.82 -0.36 0.00 0.00 -1.63 -0.88 119.26 116.91 3cem h ALA 302 Ca -0.05 0.12 -0.04 0.00 0.00 0.00 0.00 54.91 54.94 3cem h ALA 302 Cb 0.52 0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.43 3cem h ALA 302 CO 0.08 -0.26 0.07 1.15 0.00 0.00 0.00 179.25 180.29 3cem h THR 303 N 0.33 1.23 -0.45 0.00 2.02 -1.16 -1.32 112.91 113.56 3cem h THR 303 Ca 0.34 -0.80 -0.09 0.00 0.77 0.00 0.00 66.41 66.63 3cem h THR 303 Cb 0.50 1.07 -0.02 0.00 -1.74 0.00 0.00 68.15 67.96 3cem h THR 303 CO -0.39 0.27 -0.05 -0.07 0.37 0.00 0.00 175.52 175.65 3cem h LEU 304 N 0.43 0.83 -0.68 2.58 3.38 -0.70 0.46 115.31 121.61 3cem h LEU 304 Ca 0.11 -0.33 0.06 0.00 0.09 0.00 0.00 57.88 57.81 3cem h LEU 304 Cb 0.33 -0.22 -0.06 0.00 0.09 0.00 0.00 40.66 40.80 3cem h LEU 304 CO 0.00 0.96 0.38 1.56 0.09 0.00 0.00 178.44 181.44 3cem h GLN 305 N 0.67 0.67 -0.44 1.13 4.20 -1.06 0.23 115.11 120.53 3cem h GLN 305 Ca 0.12 -0.04 -0.12 0.00 0.06 0.00 0.00 58.65 58.67 3cem h GLN 305 Cb 0.57 -0.15 -0.01 0.00 0.30 0.00 0.00 27.48 28.18 3cem h GLN 305 CO 0.03 0.44 -0.20 0.22 -0.67 0.00 0.00 178.83 178.66 3cem h ASP 306 N 0.69 0.87 -0.47 1.46 3.58 -0.71 0.99 116.42 122.84 3cem h ASP 306 Ca 0.31 -0.31 -0.03 0.00 0.42 0.00 0.00 57.03 57.42 3cem h ASP 306 Cb 0.21 -0.24 -0.02 0.00 1.72 0.00 0.00 39.33 41.00 3cem h ASP 306 CO -0.19 1.05 0.17 0.40 -2.88 0.00 0.00 179.24 177.79 3cem h ILE 307 N 0.75 1.21 -0.44 2.25 2.04 -0.06 -2.26 117.51 121.01 3cem h ILE 307 Ca 0.11 -0.69 -0.04 0.00 1.00 0.00 0.00 64.86 65.24 3cem h ILE 307 Cb 0.73 0.79 -0.02 0.00 -0.74 0.00 0.00 36.82 37.58 3cem h ILE 307 CO 0.06 0.25 0.14 0.40 0.00 0.00 0.00 178.15 179.00 3cem h ILE 308 N 0.61 1.22 -0.93 -0.67 2.04 -0.70 0.16 117.51 119.24 3cem h ILE 308 Ca 0.15 -0.73 0.04 0.00 1.00 0.00 0.00 64.86 65.32 3cem h ILE 308 Cb 0.23 0.87 -0.06 0.00 -0.74 0.00 0.00 36.82 37.12 3cem h ILE 308 CO -0.01 0.26 0.60 0.08 0.00 0.00 0.00 178.15 179.08 3cem h ARG 309 N 0.57 1.11 -0.51 2.37 -0.00 -0.76 -0.64 114.38 116.51 3cem h ARG 309 Ca 0.14 -0.07 -0.03 0.00 -0.00 0.00 0.00 59.98 60.03 3cem h ARG 309 Cb 0.27 -0.25 -0.02 0.00 -0.00 0.00 0.00 29.97 29.96 3cem h ARG 309 CO -0.00 0.73 0.22 -0.09 -0.00 0.00 0.00 179.97 180.83 3cem h ARG 310 N 1.14 0.76 -0.07 0.08 2.43 -1.07 -0.31 114.38 117.33 3cem h ARG 310 Ca 0.38 -0.13 0.00 0.00 -0.81 0.00 0.00 59.98 59.43 3cem h ARG 310 Cb 0.06 -0.13 -0.01 0.00 -0.42 0.00 0.00 29.97 29.47 3cem h ARG 310 CO -0.14 0.65 0.03 0.35 -1.51 0.00 0.00 179.97 179.36 3cem h PHE 311 N 0.69 0.06 -0.06 2.20 3.57 -0.32 -2.53 116.94 120.56 3cem h PHE 311 Ca 0.17 0.00 -0.07 0.00 3.53 0.00 0.00 57.97 61.61 3cem h PHE 311 Cb 0.17 -0.02 -0.01 0.00 2.79 0.00 0.00 35.95 38.88 3cem h PHE 311 CO 0.00 0.03 -0.29 0.87 -2.23 0.00 0.00 178.31 176.69 3cem h LYS 312 N 0.07 0.10 -0.01 1.11 1.57 -1.00 -1.66 116.57 116.76 3cem h LYS 312 Ca 0.03 -0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.77 3cem h LYS 312 Cb 0.01 -0.01 0.00 0.00 0.08 0.00 0.00 32.23 32.31 3cem h LYS 312 CO -0.02 0.39 -0.02 0.00 -0.57 0.00 0.00 179.45 179.24 3cem n ALA 313 N -2.48 2.66 -2.72 3.86 0.00 -0.14 -4.90 120.51 116.79 3cem n ALA 313 Ca -0.02 -0.29 -0.23 0.00 0.00 0.00 0.00 53.44 52.90 3cem n ALA 313 Cb 0.36 -1.38 0.11 0.00 0.00 0.00 0.00 19.45 18.54 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 -0.61 1.53 0.25 0.00 3.41 -0.63 -4.96 113.62 112.61 3cem n SER 314 Ca 0.21 -2.23 0.12 0.00 -0.26 0.00 0.00 58.87 56.71 3cem n SER 314 Cb 0.22 -0.59 0.65 0.00 -0.26 0.00 0.00 64.21 64.22 3cem n SER 314 CO 0.00 0.00 0.00 0.11 -0.16 0.00 0.00 175.04 174.99 3cem h LYS 315 N 0.00 0.00 -6.22 4.33 1.57 -1.86 -3.50 116.57 110.90 3cem h LYS 315 Ca -0.31 0.00 -0.48 0.00 -1.87 0.00 0.00 60.65 57.99 3cem h LYS 315 Cb 1.22 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 33.51 3cem h LYS 315 CO 0.36 0.00 -0.36 -0.06 -0.57 0.00 0.00 179.45 178.82 3cem s PHE 316 N -3.73 2.73 -0.52 -1.35 0.40 -1.26 -5.18 117.98 109.07 3cem s PHE 316 Ca -0.03 -0.47 -0.13 0.00 -0.60 0.00 0.00 56.93 55.70 3cem s PHE 316 Cb 0.07 -2.20 -0.12 0.00 0.51 0.00 0.00 43.02 41.28 3cem s PHE 316 CO 0.22 -0.17 1.72 2.41 0.70 0.00 0.00 175.22 180.10 3cem n THR 324 N -1.60 1.31 0.00 0.64 -1.04 -1.26 -4.71 114.28 107.63 3cem n THR 324 Ca 0.04 -0.92 0.00 0.00 -2.04 0.00 0.00 64.05 61.13 3cem n THR 324 Cb 0.61 -2.01 0.00 0.00 -1.82 0.00 0.00 70.33 67.11 3cem n THR 324 CO 0.00 0.00 0.00 0.55 -0.64 0.00 0.00 175.07 174.98 3cem n VAL 325 N 5.31 0.00 0.22 12.58 3.14 -1.26 -4.54 118.33 133.79 3cem n VAL 325 Ca 0.36 0.00 0.02 0.00 -2.96 0.00 0.00 64.34 61.76 3cem n VAL 325 Cb 0.22 0.00 0.11 0.00 -1.06 0.00 0.00 33.84 33.11 3cem n VAL 325 CO 0.00 0.00 0.00 0.49 -6.46 0.00 0.00 176.83 170.86 3cem n PHE 326 N 0.00 0.00 0.27 1.45 3.01 -1.26 -2.38 117.46 118.55 3cem n PHE 326 Ca 0.00 0.00 0.16 0.00 1.01 0.00 0.00 57.45 58.62 3cem n PHE 326 Cb 0.00 -0.23 0.66 0.00 -0.01 0.00 0.00 39.48 39.90 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 0.00 0.00 0.39 4.37 5.19 -2.01 -1.45 116.42 122.91 3cem h ASP 327 Ca 0.00 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.41 3cem h ASP 327 Cb 0.03 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.54 3cem h ASP 327 CO 0.00 0.03 -0.32 0.00 -3.12 0.00 0.00 179.24 175.83 3cem n ALA 328 N -2.11 3.18 -0.16 3.45 0.00 -1.00 -4.59 120.51 119.28 3cem n ALA 328 Ca 0.00 -0.35 -0.08 0.00 0.00 0.00 0.00 53.44 53.02 3cem n ALA 328 Cb 0.32 -1.17 -0.06 0.00 0.00 0.00 0.00 19.45 18.54 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 0.61 -1.08 0.00 0.00 3.57 -1.43 -1.29 116.94 117.32 3cem h PHE 329 Ca 0.00 0.06 0.00 0.00 3.53 0.00 0.00 57.97 61.56 3cem h PHE 329 Cb 0.48 0.53 0.00 0.00 2.79 0.00 0.00 35.95 39.75 3cem h PHE 329 CO 0.00 -0.26 0.00 -0.35 -2.23 0.00 0.00 178.31 175.47 3cem n PRO 330 N -4.33 0.09 -0.00 6.41 -0.04 -1.26 -0.09 135.00 135.77 3cem n PRO 330 Ca -0.01 0.22 0.10 0.00 -0.04 0.00 0.00 63.50 63.78 3cem n PRO 330 Cb 0.18 -1.50 -0.10 0.00 -0.04 0.00 0.00 33.50 32.04 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 -1.28 0.81 -0.00 3.54 8.00 -0.55 -4.23 116.55 122.84 3cem n ASP 331 Ca 0.03 -0.77 0.04 0.00 0.71 0.00 0.00 54.79 54.79 3cem n ASP 331 Cb 0.05 1.09 -0.05 0.00 -0.02 0.00 0.00 41.12 42.20 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 -1.63 3.42 -3.86 -1.24 1.13 0.49 -4.38 117.38 111.30 3cem n GLN 332 Ca 0.03 -0.02 -0.16 0.00 -1.94 0.00 0.00 57.00 54.91 3cem n GLN 332 Cb 0.37 -0.95 -0.16 0.00 0.11 0.00 0.00 30.24 29.61 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 -1.93 0.08 -0.05 5.09 1.01 0.87 -0.94 120.40 124.52 3cem s VAL 333 Ca 0.02 0.15 0.05 0.00 0.00 0.00 0.00 61.98 62.20 3cem s VAL 333 Cb 0.06 -0.20 -0.01 0.00 0.00 0.00 0.00 36.38 36.23 3cem s VAL 333 CO 0.32 0.12 -0.21 0.00 0.00 0.00 0.00 175.10 175.34 3cem s ALA 334 N 1.08 1.84 -0.19 5.51 0.00 -0.20 -4.40 121.76 125.40 3cem s ALA 334 Ca -0.09 -0.87 0.01 0.00 0.00 0.00 0.00 51.96 51.00 3cem s ALA 334 Cb -0.13 -0.58 0.04 0.00 0.00 0.00 0.00 23.12 22.45 3cem s ALA 334 CO -0.02 0.35 -0.10 0.42 0.00 0.00 0.00 175.76 176.41 3cem s ILE 335 N -0.09 1.55 -0.21 0.00 1.01 -0.33 -0.36 121.20 122.76 3cem s ILE 335 Ca -0.03 -0.93 -0.21 0.00 0.00 0.00 0.00 60.65 59.49 3cem s ILE 335 Cb -0.12 -1.64 -0.02 0.00 0.01 0.00 0.00 42.46 40.69 3cem s ILE 335 CO 0.03 0.18 0.63 -1.58 0.00 0.00 0.00 174.94 174.19 3cem s GLN 336 N 1.44 4.18 -0.34 2.79 2.00 0.12 -1.38 119.66 128.47 3cem s GLN 336 Ca -0.01 0.59 -0.21 0.00 -2.00 0.00 0.00 55.36 53.74 3cem s GLN 336 Cb -0.16 -3.60 -0.00 0.00 0.80 0.00 0.00 33.01 30.05 3cem s GLN 336 CO -0.08 -0.29 0.65 -0.51 -0.50 0.00 0.00 175.29 174.56 3cem s LEU 337 N 2.08 4.21 -0.76 3.68 1.43 0.87 -1.59 118.68 128.59 3cem s LEU 337 Ca 0.28 0.25 -0.23 0.00 -1.03 0.00 0.00 54.13 53.40 3cem s LEU 337 Cb -0.16 -2.81 0.07 0.00 0.03 0.00 0.00 46.19 43.32 3cem s LEU 337 CO 0.10 -0.57 1.11 0.21 0.23 0.00 0.00 176.35 177.42 3cem s ASN 338 N 1.75 6.29 0.80 2.29 2.47 -0.75 -1.74 114.94 126.06 3cem s ASN 338 Ca 0.25 -1.14 0.00 0.00 0.42 0.00 0.00 52.86 52.39 3cem s ASN 338 Cb -0.14 -2.46 0.00 0.00 -1.45 0.00 0.00 41.25 37.20 3cem s ASN 338 CO 0.14 -1.45 0.00 -0.67 -3.72 0.00 0.00 177.10 171.40 3cem n ASP 339 N 7.94 -3.33 -0.59 -4.21 -0.08 -0.87 -4.21 116.55 111.20 3cem n ASP 339 Ca 0.07 0.00 0.13 0.00 -1.51 0.00 0.00 54.79 53.47 3cem n ASP 339 Cb 0.47 0.00 0.29 0.00 2.34 0.00 0.00 41.12 44.23 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 -0.61 0.00 -0.27 5.18 -2.24 -1.26 -4.28 114.28 110.80 3cem n THR 340 Ca 0.00 -0.31 0.07 0.00 -2.27 0.00 0.00 64.05 61.54 3cem n THR 340 Cb 0.00 0.90 0.22 0.00 -2.10 0.00 0.00 70.33 69.35 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 2.90 0.51 -0.66 4.78 3.86 -1.97 -0.80 115.15 123.77 3cem h HIS 341 Ca 0.00 0.04 -0.30 0.00 -1.16 0.00 0.00 60.37 58.95 3cem h HIS 341 Cb 0.69 -0.10 -0.18 0.00 1.06 0.00 0.00 27.41 28.88 3cem h HIS 341 CO 0.00 0.02 0.38 -0.35 0.86 0.00 0.00 177.93 178.84 3cem n PRO 342 N -5.04 2.30 -0.34 2.45 -0.04 -1.26 -4.63 135.00 128.44 3cem n PRO 342 Ca 0.16 -2.21 0.14 0.00 -0.04 0.00 0.00 63.50 61.55 3cem n PRO 342 Cb 0.48 -1.90 0.35 0.00 -0.04 0.00 0.00 33.50 32.39 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 1.72 1.75 0.00 0.55 0.00 -1.40 0.36 119.26 122.23 3cem h ALA 343 Ca 0.37 0.08 0.00 0.00 0.00 0.00 0.00 54.91 55.36 3cem h ALA 343 Cb 2.21 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 19.93 3cem h ALA 343 CO 0.72 -0.12 0.57 -0.07 0.00 0.00 0.00 179.25 180.35 3cem h LEU 344 N 0.71 0.00 -2.23 0.00 3.38 -1.83 -0.72 115.31 114.63 3cem h LEU 344 Ca 0.57 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.54 3cem h LEU 344 Cb 0.96 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.71 3cem h LEU 344 CO -0.37 0.00 -0.03 0.00 0.09 0.00 0.00 178.44 178.13 3cem h ALA 345 N 0.73 1.60 0.25 1.53 0.00 -1.28 -1.66 119.26 120.43 3cem h ALA 345 Ca 0.00 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.87 3cem h ALA 345 Cb 1.14 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.93 3cem h ALA 345 CO 0.00 0.04 -0.12 0.82 0.00 0.00 0.00 179.25 179.99 3cem h ILE 346 N 0.00 0.33 -0.20 0.00 2.04 -1.36 0.16 117.51 118.47 3cem h ILE 346 Ca -0.00 -0.89 -0.03 0.00 1.00 0.00 0.00 64.86 64.94 3cem h ILE 346 Cb 0.07 0.57 -0.01 0.00 -0.74 0.00 0.00 36.82 36.71 3cem h ILE 346 CO 0.00 0.09 -0.01 1.55 0.00 0.00 0.00 178.15 179.78 3cem h PRO 347 N -1.02 0.30 -0.33 2.37 0.13 -1.75 -2.38 132.00 129.32 3cem h PRO 347 Ca -0.03 -0.05 -0.05 0.00 -0.87 0.00 0.00 66.00 65.00 3cem h PRO 347 Cb 0.41 -0.05 -0.01 0.00 0.13 0.00 0.00 31.00 31.47 3cem h PRO 347 CO 0.06 0.34 0.02 1.49 -0.23 0.00 0.00 178.00 179.68 3cem h GLU 348 N 0.29 0.57 -0.90 0.86 4.57 -1.24 0.19 114.58 118.91 3cem h GLU 348 Ca 0.07 -0.17 0.03 0.00 -1.18 0.00 0.00 59.36 58.11 3cem h GLU 348 Cb 0.23 -0.06 -0.05 0.00 -0.16 0.00 0.00 28.75 28.71 3cem h GLU 348 CO 0.01 0.68 0.59 1.25 -1.18 0.00 0.00 179.01 180.36 3cem h LEU 349 N 0.38 0.99 -0.71 1.64 5.85 -0.61 -1.51 115.31 121.33 3cem h LEU 349 Ca 0.10 -0.01 -0.06 0.00 0.84 0.00 0.00 57.88 58.74 3cem h LEU 349 Cb 0.41 -0.23 -0.03 0.00 0.37 0.00 0.00 40.66 41.18 3cem h LEU 349 CO 0.01 0.69 0.19 0.24 -0.34 0.00 0.00 178.44 179.23 3cem h MET 350 N 1.15 1.13 -0.85 1.25 2.86 -0.99 -1.90 114.93 117.58 3cem h MET 350 Ca 0.35 -0.26 0.03 0.00 -2.06 0.00 0.00 59.70 57.76 3cem h MET 350 Cb -0.01 -0.15 -0.05 0.00 0.06 0.00 0.00 31.60 31.45 3cem h MET 350 CO -0.10 0.98 0.55 -0.09 1.06 0.00 0.00 176.91 179.31 3cem h ARG 351 N 1.06 1.05 0.18 1.72 2.43 0.10 0.14 114.38 121.06 3cem h ARG 351 Ca 0.23 -0.06 -0.01 0.00 -0.81 0.00 0.00 59.98 59.32 3cem h ARG 351 Cb 0.35 -0.24 0.00 0.00 -0.42 0.00 0.00 29.97 29.66 3cem h ARG 351 CO -0.00 0.69 -0.09 0.82 -1.51 0.00 0.00 179.97 179.89 3cem h ILE 352 N 1.08 0.92 -0.43 1.20 2.04 -1.03 0.61 117.51 121.90 3cem h ILE 352 Ca 0.33 -0.81 0.07 0.00 1.00 0.00 0.00 64.86 65.45 3cem h ILE 352 Cb -0.03 1.39 -0.06 0.00 -0.74 0.00 0.00 36.82 37.38 3cem h ILE 352 CO -0.10 0.18 0.10 -0.26 0.00 0.00 0.00 178.15 178.07 3cem h PHE 353 N -0.66 0.18 0.08 1.37 0.05 -1.22 0.29 116.94 117.01 3cem h PHE 353 Ca -0.03 0.03 -0.00 0.00 3.82 0.00 0.00 57.97 61.79 3cem h PHE 353 Cb 0.48 -0.01 0.00 0.00 2.00 0.00 0.00 35.95 38.41 3cem h PHE 353 CO 0.05 0.03 -0.04 0.28 -0.18 0.00 0.00 178.31 178.45 3cem h VAL 354 N 0.25 0.00 0.00 -0.55 2.07 -0.73 0.20 116.25 117.48 3cem h VAL 354 Ca 0.21 -0.30 -0.07 0.00 0.82 0.00 0.00 66.70 67.36 3cem h VAL 354 Cb 0.25 0.00 -0.01 0.00 -1.52 0.00 0.00 31.29 30.01 3cem h VAL 354 CO -0.26 0.00 -0.34 0.44 0.02 0.00 0.00 177.57 177.43 3cem h ASP 355 N -0.40 0.00 0.00 0.57 3.45 -1.00 -1.92 116.42 117.12 3cem h ASP 355 Ca -0.01 0.00 -0.12 0.00 0.43 0.00 0.00 57.03 57.33 3cem h ASP 355 Cb 0.08 0.00 -0.02 0.00 -0.56 0.00 0.00 39.33 38.83 3cem h ASP 355 CO 0.02 0.34 -1.41 -0.38 -1.57 0.00 0.00 179.24 176.24 3cem n ILE 356 N -3.60 0.40 1.39 0.35 5.41 -0.78 -4.52 119.36 118.01 3cem n ILE 356 Ca -0.01 -0.12 0.14 0.00 1.00 0.00 0.00 62.75 63.76 3cem n ILE 356 Cb 0.47 -1.26 0.60 0.00 -0.71 0.00 0.00 39.64 38.73 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 -3.08 0.67 -2.99 0.38 -0.58 0.94 -4.94 120.64 111.04 3cem n GLU 357 Ca -0.14 -0.24 -0.19 0.00 -0.42 0.00 0.00 57.16 56.17 3cem n GLU 357 Cb 0.61 -1.50 0.04 0.00 -0.57 0.00 0.00 31.44 30.03 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 -0.96 -4.60 -3.00 3.49 4.76 -0.58 -4.94 118.16 112.34 3cem n LYS 358 Ca 0.14 0.76 -0.32 0.00 -2.87 0.00 0.00 58.31 56.03 3cem n LYS 358 Cb 0.28 -5.35 -0.05 0.00 -1.84 0.00 0.00 35.03 28.07 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 -5.83 3.97 0.40 -0.35 1.43 0.61 -4.99 118.68 113.93 3cem s LEU 359 Ca 0.30 1.28 -0.24 0.00 -1.03 0.00 0.00 54.13 54.43 3cem s LEU 359 Cb -0.13 -4.11 -0.09 0.00 0.03 0.00 0.00 46.19 41.89 3cem s LEU 359 CO 0.37 -0.29 1.09 -2.16 0.23 0.00 0.00 176.35 175.59 3cem s PRO 360 N -3.30 4.10 0.22 1.29 0.04 -1.26 -4.37 135.00 131.72 3cem s PRO 360 Ca 0.54 1.62 -0.15 0.00 0.04 0.00 0.00 61.00 63.05 3cem s PRO 360 Cb -0.10 -2.57 0.25 0.00 0.04 0.00 0.00 34.50 32.12 3cem s PRO 360 CO 0.22 -0.22 1.44 1.87 0.04 0.00 0.00 177.00 180.34 3cem n TRP 361 N -0.07 0.07 -0.02 0.56 -0.00 -1.26 -1.36 117.44 115.36 3cem n TRP 361 Ca 0.05 1.14 -0.02 0.00 -0.00 0.00 0.00 57.50 58.67 3cem n TRP 361 Cb 0.49 -0.87 0.24 0.00 -0.00 0.00 0.00 31.31 31.16 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 0.56 -0.37 5.87 4.64 -1.99 -0.89 113.55 121.35 3cem h SER 362 Ca 0.34 -0.13 -0.11 0.00 -0.47 0.00 0.00 61.79 61.41 3cem h SER 362 Cb 0.57 -0.15 -0.01 0.00 -0.31 0.00 0.00 62.40 62.50 3cem h SER 362 CO -0.92 0.67 -0.21 0.50 -0.87 0.00 0.00 176.83 176.01 3cem h LYS 363 N 0.54 0.80 -0.39 4.77 1.63 -1.59 -2.54 116.57 119.79 3cem h LYS 363 Ca 0.11 -0.36 -0.02 0.00 -0.85 0.00 0.00 60.65 59.53 3cem h LYS 363 Cb 0.45 -0.02 -0.02 0.00 -0.60 0.00 0.00 32.23 32.04 3cem h LYS 363 CO 0.02 0.99 0.16 0.00 -3.45 0.00 0.00 179.45 177.17 3cem h ALA 364 N 0.79 0.50 -0.77 5.00 0.00 -1.15 -1.76 119.26 121.87 3cem h ALA 364 Ca 0.08 -0.13 -0.05 0.00 0.00 0.00 0.00 54.91 54.81 3cem h ALA 364 Cb 0.76 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 18.37 3cem h ALA 364 CO 0.06 0.09 0.29 2.35 0.00 0.00 0.00 179.25 182.04 3cem h TRP 365 N 0.48 1.19 -0.40 0.00 2.91 -1.15 -1.22 115.95 117.77 3cem h TRP 365 Ca 0.13 -0.10 -0.01 0.00 1.13 0.00 0.00 58.89 60.05 3cem h TRP 365 Cb 0.17 -0.35 -0.02 0.00 -0.51 0.00 0.00 29.16 28.44 3cem h TRP 365 CO -0.01 0.91 0.22 1.49 -1.03 0.00 0.00 178.44 180.03 3cem h GLU 366 N 1.13 0.56 -0.21 2.65 4.81 -1.26 -2.51 114.58 119.75 3cem h GLU 366 Ca 0.26 -0.07 -0.08 0.00 -0.13 0.00 0.00 59.36 59.34 3cem h GLU 366 Cb 0.24 -0.11 -0.01 0.00 0.63 0.00 0.00 28.75 29.49 3cem h GLU 366 CO -0.02 0.45 -0.21 -0.07 -0.73 0.00 0.00 179.01 178.44 3cem h LEU 367 N 0.52 0.36 0.02 1.64 3.38 -0.94 -2.78 115.31 117.52 3cem h LEU 367 Ca 0.14 -0.11 -0.00 0.00 0.09 0.00 0.00 57.88 58.00 3cem h LEU 367 Cb 0.06 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 40.71 3cem h LEU 367 CO -0.02 0.59 -0.01 0.74 0.09 0.00 0.00 178.44 179.83 3cem h THR 368 N 0.34 1.08 -0.47 0.22 2.02 -1.08 -0.56 112.91 114.46 3cem h THR 368 Ca 0.06 -0.31 -0.05 0.00 0.77 0.00 0.00 66.41 66.87 3cem h THR 368 Cb 0.56 1.29 -0.02 0.00 -1.74 0.00 0.00 68.15 68.24 3cem h THR 368 CO 0.04 0.08 0.07 1.56 0.37 0.00 0.00 175.52 177.64 3cem h GLN 369 N -0.16 0.73 0.00 6.66 4.20 -1.34 0.10 115.11 125.30 3cem h GLN 369 Ca -0.00 -0.16 0.00 0.00 0.06 0.00 0.00 58.65 58.55 3cem h GLN 369 Cb 0.15 -0.11 0.00 0.00 0.30 0.00 0.00 27.48 27.82 3cem h GLN 369 CO 0.00 0.70 0.00 0.87 -0.67 0.00 0.00 178.83 179.73 3cem h LYS 370 N 0.70 0.00 0.10 1.46 1.57 -1.20 -2.05 116.57 117.15 3cem h LYS 370 Ca 0.15 0.00 -0.24 0.00 -1.87 0.00 0.00 60.65 58.69 3cem h LYS 370 Cb 0.32 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.63 3cem h LYS 370 CO 0.00 0.00 -1.21 1.15 -0.57 0.00 0.00 179.45 178.82 3cem h THR 371 N 0.00 1.14 -3.49 -0.16 2.02 0.62 -3.46 112.91 109.57 3cem h THR 371 Ca 0.00 -2.39 -0.53 0.00 0.77 0.00 0.00 66.41 64.26 3cem h THR 371 Cb 0.78 2.78 -0.03 0.00 -1.74 0.00 0.00 68.15 69.94 3cem h THR 371 CO 0.00 0.66 -0.01 -0.36 0.37 0.00 0.00 175.52 176.18 3cem s PHE 372 N -2.44 3.52 0.07 3.16 0.40 -0.51 -1.19 117.98 120.99 3cem s PHE 372 Ca -0.20 1.12 0.02 0.00 -0.60 0.00 0.00 56.93 57.27 3cem s PHE 372 Cb 0.04 -2.43 -0.03 0.00 0.51 0.00 0.00 43.02 41.10 3cem s PHE 372 CO 0.75 0.30 -0.07 0.00 0.70 0.00 0.00 175.22 176.90 3cem s ALA 373 N -1.67 0.77 -0.07 5.36 0.00 -0.48 -2.05 121.76 123.62 3cem s ALA 373 Ca 0.45 -1.11 0.02 0.00 0.00 0.00 0.00 51.96 51.32 3cem s ALA 373 Cb -0.13 0.13 0.01 0.00 0.00 0.00 0.00 23.12 23.13 3cem s ALA 373 CO 0.20 -0.17 -0.12 -0.47 0.00 0.00 0.00 175.76 175.20 3cem s TYR 374 N -2.78 1.48 -0.23 0.00 5.04 -0.69 -0.09 117.35 120.09 3cem s TYR 374 Ca 0.03 -0.55 -0.07 0.00 -2.44 0.00 0.00 57.07 54.04 3cem s TYR 374 Cb -0.00 -1.09 -0.03 0.00 0.35 0.00 0.00 41.96 41.19 3cem s TYR 374 CO -0.03 -0.28 0.05 0.99 -1.34 0.00 0.00 175.55 174.93 3cem s THR 375 N 0.67 4.22 -0.24 4.34 2.01 -0.71 -1.13 115.64 124.79 3cem s THR 375 Ca -0.14 -0.21 -0.10 0.00 0.31 0.00 0.00 61.69 61.54 3cem s THR 375 Cb -0.16 -2.95 -0.05 0.00 0.01 0.00 0.00 72.50 69.36 3cem s THR 375 CO 0.04 0.38 0.16 0.21 -0.69 0.00 0.00 174.62 174.71 3cem s ASN 376 N 1.35 6.08 -0.07 3.53 3.84 0.55 -2.05 114.94 128.17 3cem s ASN 376 Ca 0.05 0.09 0.10 0.00 0.21 0.00 0.00 52.86 53.31 3cem s ASN 376 Cb -0.15 -2.10 0.16 0.00 -0.55 0.00 0.00 41.25 38.61 3cem s ASN 376 CO 0.03 0.05 1.05 1.41 -2.79 0.00 0.00 177.10 176.85 3cem n HIS 377 N 4.37 0.00 -5.19 0.43 8.25 -1.26 -4.35 115.22 117.47 3cem n HIS 377 Ca -0.15 -0.65 -0.29 0.00 -0.26 0.00 0.00 57.72 56.36 3cem n HIS 377 Cb 0.52 -0.10 -0.16 0.00 1.12 0.00 0.00 29.99 31.37 3cem n HIS 377 CO 0.00 0.00 0.00 -0.08 0.64 0.00 0.00 176.34 176.90 3cem s THR 378 N -1.79 1.88 0.00 1.59 -1.32 -1.26 -4.78 115.64 109.97 3cem s THR 378 Ca 0.17 -1.02 0.00 0.00 -1.21 0.00 0.00 61.69 59.64 3cem s THR 378 Cb 0.15 -1.56 0.00 0.00 -1.51 0.00 0.00 72.50 69.58 3cem s THR 378 CO 0.02 0.53 0.00 0.52 -2.21 0.00 0.00 174.62 173.48 3cem n VAL 379 N 2.50 0.00 -2.82 5.08 0.31 -1.26 -5.03 118.33 117.11 3cem n VAL 379 Ca -0.16 0.00 -0.41 0.00 -0.01 0.00 0.00 64.34 63.77 3cem n VAL 379 Cb 0.52 -0.52 -0.05 0.00 -0.91 0.00 0.00 33.84 32.88 3cem n VAL 379 CO 0.00 0.00 0.00 -0.76 -1.32 0.00 0.00 176.83 174.75 3cem s LEU 380 N -4.54 4.50 0.26 7.52 2.01 -1.26 -4.95 118.68 122.21 3cem s LEU 380 Ca 0.00 1.69 -0.02 0.00 0.01 0.00 0.00 54.13 55.80 3cem s LEU 380 Cb 0.00 -3.46 0.42 0.00 0.01 0.00 0.00 46.19 43.16 3cem s LEU 380 CO 0.00 -0.02 1.86 -0.65 1.01 0.00 0.00 176.35 178.55 3cem h PRO 381 N 5.47 1.03 0.00 1.29 0.11 -1.98 -0.42 132.00 137.50 3cem h PRO 381 Ca -0.43 -0.06 0.00 0.00 0.11 0.00 0.00 66.00 65.61 3cem h PRO 381 Cb 1.21 -0.23 0.00 0.00 0.11 0.00 0.00 31.00 32.08 3cem h PRO 381 CO 0.71 0.68 0.00 -0.85 -0.21 0.00 0.00 178.00 178.33 3cem n GLU 382 N -4.57 0.17 0.00 1.05 0.00 -1.26 -2.09 120.64 113.94 3cem n GLU 382 Ca 0.15 0.17 0.11 0.00 0.00 0.00 0.00 57.16 57.59 3cem n GLU 382 Cb 0.23 -1.50 0.06 0.00 0.00 0.00 0.00 31.44 30.23 3cem n GLU 382 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 3cem n ALA 383 N -1.32 3.85 -2.25 -1.84 0.00 -0.17 -0.58 120.51 118.21 3cem n ALA 383 Ca 0.06 -0.55 -0.42 0.00 0.00 0.00 0.00 53.44 52.54 3cem n ALA 383 Cb 0.12 -0.89 -0.03 0.00 0.00 0.00 0.00 19.45 18.65 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 -2.72 4.41 -0.38 0.00 1.43 -0.89 -4.35 118.68 116.17 3cem s LEU 384 Ca 0.15 2.11 -0.29 0.00 -1.03 0.00 0.00 54.13 55.08 3cem s LEU 384 Cb 0.18 -3.59 0.02 0.00 0.03 0.00 0.00 46.19 42.83 3cem s LEU 384 CO 0.67 -0.43 1.11 -1.61 0.23 0.00 0.00 176.35 176.33 3cem s GLU 385 N 0.51 3.92 -0.34 1.70 2.02 -1.26 -4.77 118.70 120.48 3cem s GLU 385 Ca 0.56 0.87 -0.01 0.00 0.02 0.00 0.00 54.97 56.41 3cem s GLU 385 Cb -0.31 -3.81 0.12 0.00 0.10 0.00 0.00 34.13 30.22 3cem s GLU 385 CO 0.32 -1.11 0.16 1.03 0.02 0.00 0.00 175.26 175.68 3cem s ARG 386 N 4.01 0.61 0.09 1.61 0.52 -1.26 -1.97 118.95 122.57 3cem s ARG 386 Ca 0.47 -1.15 -0.24 0.00 -0.52 0.00 0.00 55.73 54.30 3cem s ARG 386 Cb -0.10 -1.60 -0.07 0.00 0.52 0.00 0.00 34.95 33.70 3cem s ARG 386 CO 0.22 -1.09 0.71 -1.58 0.02 0.00 0.00 175.30 173.59 3cem s TRP 387 N 1.39 3.81 0.19 -0.53 0.52 -0.88 -4.76 118.94 118.67 3cem s TRP 387 Ca 0.13 1.47 -0.33 0.00 0.02 0.00 0.00 56.10 57.39 3cem s TRP 387 Cb -0.20 -2.72 -0.13 0.00 -1.15 0.00 0.00 33.47 29.27 3cem s TRP 387 CO -0.17 0.43 1.60 -2.30 0.02 0.00 0.00 176.95 176.54 3cem n PRO 388 N 2.14 2.35 -0.32 4.98 -0.02 -1.26 -0.27 135.00 142.60 3cem n PRO 388 Ca -0.06 0.85 0.01 0.00 -2.02 0.00 0.00 63.50 62.28 3cem n PRO 388 Cb 0.50 -2.63 0.14 0.00 -0.02 0.00 0.00 33.50 31.49 3cem n PRO 388 CO 0.00 0.00 0.00 -0.39 1.98 0.00 0.00 175.50 177.09 3cem h VAL 389 N 3.59 1.06 -0.39 -1.45 -1.51 -1.53 -2.25 116.25 113.78 3cem h VAL 389 Ca -0.45 -0.35 0.08 0.00 -1.23 0.00 0.00 66.70 64.75 3cem h VAL 389 Cb 1.24 -0.05 -0.09 0.00 -2.13 0.00 0.00 31.29 30.26 3cem h VAL 389 CO 0.89 0.19 -0.27 0.44 -1.23 0.00 0.00 177.57 177.59 3cem h ASP 390 N 1.03 -0.90 -0.33 4.19 3.45 -1.92 0.28 116.42 122.22 3cem h ASP 390 Ca 0.38 0.17 0.04 0.00 0.43 0.00 0.00 57.03 58.06 3cem h ASP 390 Cb 0.15 0.44 -0.04 0.00 -0.56 0.00 0.00 39.33 39.32 3cem h ASP 390 CO -0.17 -0.29 0.08 0.25 -1.57 0.00 0.00 179.24 177.55 3cem h LEU 391 N -0.21 0.05 -0.80 1.55 5.85 -1.90 -1.82 115.31 118.03 3cem h LEU 391 Ca 0.18 0.05 -0.09 0.00 0.84 0.00 0.00 57.88 58.86 3cem h LEU 391 Cb 0.50 0.06 -0.02 0.00 0.37 0.00 0.00 40.66 41.56 3cem h LEU 391 CO -0.51 0.06 -0.07 0.58 -0.34 0.00 0.00 178.44 178.16 3cem h VAL 392 N 0.21 1.26 -0.92 1.05 2.07 -0.81 -2.01 116.25 117.08 3cem h VAL 392 Ca 0.15 -1.14 0.05 0.00 0.82 0.00 0.00 66.70 66.58 3cem h VAL 392 Cb 0.16 0.98 -0.06 0.00 -1.52 0.00 0.00 31.29 30.84 3cem h VAL 392 CO -0.19 0.39 0.59 -0.08 0.02 0.00 0.00 177.57 178.31 3cem h GLU 393 N 0.75 1.09 -0.04 1.57 4.81 -0.21 -0.20 114.58 122.35 3cem h GLU 393 Ca 0.13 -0.07 -0.18 0.00 -0.13 0.00 0.00 59.36 59.11 3cem h GLU 393 Cb 0.56 -0.25 0.01 0.00 0.63 0.00 0.00 28.75 29.71 3cem h GLU 393 CO 0.03 0.72 -0.69 -0.22 -0.73 0.00 0.00 179.01 178.13 3cem h LYS 394 N 1.12 0.55 0.17 1.92 3.64 -0.99 -3.06 116.57 119.93 3cem h LYS 394 Ca 0.38 -0.53 -0.31 0.00 -1.27 0.00 0.00 60.65 58.92 3cem h LYS 394 Cb 0.07 0.14 0.01 0.00 -0.41 0.00 0.00 32.23 32.04 3cem h LYS 394 CO -0.14 1.15 -1.47 1.25 -2.27 0.00 0.00 179.45 177.97 3cem h LEU 395 N 0.13 0.58 -5.67 5.20 5.85 -1.35 -3.36 115.31 116.70 3cem h LEU 395 Ca -0.07 -0.69 -0.45 0.00 0.84 0.00 0.00 57.88 57.51 3cem h LEU 395 Cb 1.36 -0.19 -0.40 0.00 0.37 0.00 0.00 40.66 41.80 3cem h LEU 395 CO 0.14 1.56 -1.19 0.18 -0.34 0.00 0.00 178.44 178.79 3cem n LEU 396 N -3.58 1.11 0.07 2.25 4.77 -0.09 0.06 117.00 121.60 3cem n LEU 396 Ca -0.16 -4.62 0.17 0.00 -0.03 0.00 0.00 56.01 51.38 3cem n LEU 396 Cb 1.06 0.60 0.69 0.00 -2.33 0.00 0.00 43.42 43.45 3cem n LEU 396 CO 0.55 2.06 1.16 1.55 -1.33 0.00 0.00 177.39 181.38 3cem h PRO 397 N 3.00 0.00 0.11 3.23 0.13 -1.60 -1.58 132.00 135.29 3cem h PRO 397 Ca 0.04 0.00 -0.28 0.00 -0.87 0.00 0.00 66.00 64.89 3cem h PRO 397 Cb 1.03 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.15 3cem h PRO 397 CO 0.51 0.00 -1.36 -0.09 -0.23 0.00 0.00 178.00 176.83 3cem h ARG 398 N 0.00 0.24 -0.18 0.86 9.65 -1.90 -2.66 114.38 120.39 3cem h ARG 398 Ca 0.18 -0.41 -0.05 0.00 -1.10 0.00 0.00 59.98 58.61 3cem h ARG 398 Cb 0.76 0.15 -0.01 0.00 -1.39 0.00 0.00 29.97 29.47 3cem h ARG 398 CO -0.00 1.14 -0.11 0.45 2.80 0.00 0.00 179.97 184.25 3cem h HIS 399 N 0.06 0.29 0.19 2.20 3.86 -1.73 -2.21 115.15 117.82 3cem h HIS 399 Ca -0.17 -0.03 -0.01 0.00 -1.16 0.00 0.00 60.37 58.99 3cem h HIS 399 Cb 1.98 -0.08 0.00 0.00 1.06 0.00 0.00 27.41 30.37 3cem h HIS 399 CO 0.06 0.40 -0.09 1.25 0.86 0.00 0.00 177.93 180.40 3cem h LEU 400 N 0.27 -0.22 -0.97 2.43 5.85 -1.20 -0.74 115.31 120.73 3cem h LEU 400 Ca 0.05 -0.11 0.18 0.00 0.84 0.00 0.00 57.88 58.84 3cem h LEU 400 Cb 0.37 0.06 -0.10 0.00 0.37 0.00 0.00 40.66 41.36 3cem h LEU 400 CO 0.02 -0.03 0.57 -0.33 -0.34 0.00 0.00 178.44 178.33 3cem h GLU 401 N -0.41 0.72 -0.21 1.25 5.08 -1.38 0.15 114.58 119.79 3cem h GLU 401 Ca -0.03 -0.04 -0.20 0.00 -1.00 0.00 0.00 59.36 58.09 3cem h GLU 401 Cb 0.31 -0.16 0.00 0.00 0.50 0.00 0.00 28.75 29.40 3cem h GLU 401 CO 0.04 0.48 -0.64 0.82 -1.00 0.00 0.00 179.01 178.71 3cem h ILE 402 N 0.74 1.29 -0.58 3.13 2.04 -1.14 -0.37 117.51 122.63 3cem h ILE 402 Ca 0.55 -1.86 -0.10 0.00 1.00 0.00 0.00 64.86 64.45 3cem h ILE 402 Cb 0.81 1.81 -0.02 0.00 -0.74 0.00 0.00 36.82 38.68 3cem h ILE 402 CO -0.37 0.59 -0.04 0.40 0.00 0.00 0.00 178.15 178.73 3cem h ILE 403 N 0.56 1.27 -0.83 -0.67 2.04 -0.38 -0.48 117.51 119.01 3cem h ILE 403 Ca -0.01 -1.20 -0.03 0.00 1.00 0.00 0.00 64.86 64.62 3cem h ILE 403 Cb 1.25 0.88 -0.04 0.00 -0.74 0.00 0.00 36.82 38.16 3cem h ILE 403 CO 0.13 0.43 0.41 1.88 0.00 0.00 0.00 178.15 181.00 3cem h TYR 404 N 0.94 1.18 -0.42 1.37 0.05 -0.43 -1.09 116.97 118.57 3cem h TYR 404 Ca 0.16 -0.05 -0.07 0.00 0.05 0.00 0.00 58.73 58.82 3cem h TYR 404 Cb 0.61 -0.37 -0.02 0.00 1.01 0.00 0.00 36.73 37.96 3cem h TYR 404 CO 0.04 0.85 0.01 1.49 -1.05 0.00 0.00 178.16 179.50 3cem h GLU 405 N 1.18 0.74 -0.20 4.88 4.57 -0.71 -0.74 114.58 124.30 3cem h GLU 405 Ca 0.29 -0.23 0.05 0.00 -1.18 0.00 0.00 59.36 58.29 3cem h GLU 405 Cb 0.10 -0.07 -0.06 0.00 -0.16 0.00 0.00 28.75 28.56 3cem h GLU 405 CO -0.04 0.81 -0.20 0.82 -1.18 0.00 0.00 179.01 179.22 3cem h ILE 406 N 0.58 0.47 -0.25 2.32 2.04 -0.93 -1.79 117.51 119.94 3cem h ILE 406 Ca 0.12 0.00 0.05 0.00 1.00 0.00 0.00 64.86 66.03 3cem h ILE 406 Cb 0.47 0.47 -0.04 0.00 -0.74 0.00 0.00 36.82 36.98 3cem h ILE 406 CO 0.02 0.00 -0.03 -1.13 0.00 0.00 0.00 178.15 177.01 3cem h ASN 407 N -0.22 -0.15 -0.13 1.72 -1.24 -0.78 -1.48 115.58 113.30 3cem h ASN 407 Ca 0.12 0.06 0.04 0.00 0.71 0.00 0.00 56.30 57.24 3cem h ASN 407 Cb 0.41 0.12 -0.07 0.00 0.73 0.00 0.00 38.32 39.51 3cem h ASN 407 CO -0.33 -0.05 -0.42 -0.61 -1.29 0.00 0.00 177.43 174.73 3cem h GLN 408 N 0.04 -0.48 0.00 6.67 5.75 -0.85 0.26 115.11 126.52 3cem h GLN 408 Ca 0.12 0.03 -0.01 0.00 -0.15 0.00 0.00 58.65 58.64 3cem h GLN 408 Cb 0.17 0.11 -0.00 0.00 1.07 0.00 0.00 27.48 28.82 3cem h GLN 408 CO -0.22 -0.32 -0.05 0.87 -2.65 0.00 0.00 178.83 176.46 3cem h LYS 409 N -0.49 0.00 0.01 1.69 1.79 -1.22 -1.32 116.57 117.03 3cem h LYS 409 Ca 0.07 0.00 -0.11 0.00 -2.18 0.00 0.00 60.65 58.44 3cem h LYS 409 Cb 0.63 0.00 0.01 0.00 -1.58 0.00 0.00 32.23 31.29 3cem h LYS 409 CO -0.40 0.05 -0.42 1.25 -1.08 0.00 0.00 179.45 178.85 3cem h HIS 410 N 0.00 0.41 -0.11 -1.35 2.76 -0.50 -3.22 115.15 113.13 3cem h HIS 410 Ca -0.00 -0.23 -0.11 0.00 -2.20 0.00 0.00 60.37 57.83 3cem h HIS 410 Cb 0.09 -0.04 -0.01 0.00 1.55 0.00 0.00 27.41 28.99 3cem h HIS 410 CO 0.00 1.05 -0.43 -0.07 -1.30 0.00 0.00 177.93 177.19 3cem h LEU 411 N -0.35 0.28 -0.16 0.26 3.38 -0.17 -2.94 115.31 115.60 3cem h LEU 411 Ca -0.06 -0.12 0.04 0.00 0.09 0.00 0.00 57.88 57.84 3cem h LEU 411 Cb 1.17 -0.08 -0.04 0.00 0.09 0.00 0.00 40.66 41.80 3cem h LEU 411 CO 0.08 0.67 -0.11 0.44 0.09 0.00 0.00 178.44 179.61 3cem h ASP 412 N 0.22 -0.36 -0.03 -0.43 3.32 -1.37 -0.82 116.42 116.94 3cem h ASP 412 Ca 0.02 0.08 0.01 0.00 0.02 0.00 0.00 57.03 57.16 3cem h ASP 412 Cb 0.85 0.19 -0.00 0.00 0.22 0.00 0.00 39.33 40.58 3cem h ASP 412 CO 0.07 -0.15 0.19 0.03 -1.72 0.00 0.00 179.24 177.65 3cem h ARG 413 N -0.11 0.00 0.08 3.56 3.08 -1.52 -2.24 114.38 117.22 3cem h ARG 413 Ca 0.10 0.00 -0.35 0.00 0.07 0.00 0.00 59.98 59.80 3cem h ARG 413 Cb 0.26 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 30.28 3cem h ARG 413 CO -0.23 0.00 -1.95 -0.89 -1.07 0.00 0.00 179.97 175.83 3cem n ILE 414 N -3.10 1.71 -0.03 2.04 5.41 -0.53 -2.73 119.36 122.13 3cem n ILE 414 Ca -0.02 -0.70 0.15 0.00 1.00 0.00 0.00 62.75 63.18 3cem n ILE 414 Cb 0.25 -1.49 0.58 0.00 -0.71 0.00 0.00 39.64 38.27 3cem n ILE 414 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 176.55 177.13 3cem h VAL 415 N 0.05 0.84 0.08 1.39 2.07 -0.91 0.85 116.25 120.63 3cem h VAL 415 Ca -0.39 -0.08 -0.18 0.00 0.82 0.00 0.00 66.70 66.86 3cem h VAL 415 Cb 2.03 0.59 0.02 0.00 -1.52 0.00 0.00 31.29 32.41 3cem h VAL 415 CO 0.08 0.04 -0.77 0.00 0.02 0.00 0.00 177.57 176.94 3cem h ALA 416 N 1.74 -0.02 0.05 1.67 0.00 -1.47 -3.00 119.26 118.24 3cem h ALA 416 Ca 0.25 -0.65 -0.24 0.00 0.00 0.00 0.00 54.91 54.26 3cem h ALA 416 Cb 0.67 0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.52 3cem h ALA 416 CO -0.05 0.39 -1.16 -0.07 0.00 0.00 0.00 179.25 178.37 3cem h LEU 417 N -0.20 0.18 -6.50 0.00 3.38 -1.40 -3.40 115.31 107.37 3cem h LEU 417 Ca -0.12 -0.20 -0.60 0.00 0.09 0.00 0.00 57.88 57.05 3cem h LEU 417 Cb 1.54 -0.06 -0.41 0.00 0.09 0.00 0.00 40.66 41.82 3cem h LEU 417 CO 0.15 1.16 -0.75 0.49 0.09 0.00 0.00 178.44 179.58 3cem n PHE 418 N -3.41 1.94 -0.05 1.13 3.01 0.28 -4.99 117.46 115.36 3cem n PHE 418 Ca -0.05 -3.94 0.02 0.00 1.01 0.00 0.00 57.45 54.49 3cem n PHE 418 Cb 0.98 -0.38 0.34 0.00 -0.01 0.00 0.00 39.48 40.42 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 4.85 0.65 -0.47 -1.08 0.11 -1.74 -2.15 132.00 132.18 3cem h PRO 419 Ca 0.18 -0.06 -0.23 0.00 0.11 0.00 0.00 66.00 65.99 3cem h PRO 419 Cb 0.78 -0.13 -0.14 0.00 0.11 0.00 0.00 31.00 31.61 3cem h PRO 419 CO 0.64 0.49 0.05 1.17 -0.21 0.00 0.00 178.00 180.14 3cem n LYS 420 N -4.41 1.97 -3.04 1.05 4.81 -1.26 -4.86 118.16 112.41 3cem n LYS 420 Ca 0.04 -3.15 -0.39 0.00 -0.87 0.00 0.00 58.31 53.94 3cem n LYS 420 Cb 0.10 -1.89 -0.01 0.00 0.02 0.00 0.00 35.03 33.26 3cem n LYS 420 CO 0.00 0.00 0.00 -3.47 1.17 0.00 0.00 177.40 175.10 3cem n ASP 421 N -1.10 5.97 0.05 3.14 4.64 -0.81 -4.90 116.55 123.54 3cem n ASP 421 Ca 0.38 -3.46 -0.11 0.00 -1.38 0.00 0.00 54.79 50.22 3cem n ASP 421 Cb 1.15 -1.12 -0.05 0.00 -1.04 0.00 0.00 41.12 40.06 3cem n ASP 421 CO 0.00 0.00 0.00 1.62 -0.82 0.00 0.00 177.20 178.00 3cem h VAL 422 N 3.24 0.67 0.00 5.18 3.04 -1.89 -2.69 116.25 123.80 3cem h VAL 422 Ca 0.23 0.00 -0.01 0.00 -1.01 0.00 0.00 66.70 65.91 3cem h VAL 422 Cb 0.59 0.67 -0.00 0.00 -2.01 0.00 0.00 31.29 30.53 3cem h VAL 422 CO 1.21 0.00 -0.03 -0.78 -1.01 0.00 0.00 177.57 176.96 3cem h ASP 423 N -0.22 0.00 0.08 3.17 3.58 -2.00 -1.19 116.42 119.84 3cem h ASP 423 Ca 0.05 0.00 -0.11 0.00 0.42 0.00 0.00 57.03 57.39 3cem h ASP 423 Cb 0.28 0.00 -0.01 0.00 1.72 0.00 0.00 39.33 41.32 3cem h ASP 423 CO -0.14 0.03 -0.38 -0.09 -2.88 0.00 0.00 179.24 175.78 3cem h ARG 424 N 0.00 0.40 -0.19 0.28 2.43 -1.90 -1.11 114.38 114.28 3cem h ARG 424 Ca -0.00 -0.19 -0.01 0.00 -0.81 0.00 0.00 59.98 58.98 3cem h ARG 424 Cb 0.06 -0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 29.60 3cem h ARG 424 CO 0.00 0.72 0.10 -0.07 -1.51 0.00 0.00 179.97 179.21 3cem h LEU 425 N 0.34 0.25 -2.05 3.80 3.38 -1.10 -1.32 115.31 118.62 3cem h LEU 425 Ca 0.03 -0.11 -0.02 0.00 0.09 0.00 0.00 57.88 57.87 3cem h LEU 425 Cb 0.82 -0.06 -0.00 0.00 0.09 0.00 0.00 40.66 41.50 3cem h LEU 425 CO 0.07 0.29 -0.09 -0.09 0.09 0.00 0.00 178.44 178.71 3cem h ARG 426 N 0.19 0.00 0.18 1.13 2.43 -1.19 -2.21 114.38 114.91 3cem h ARG 426 Ca 0.07 0.00 -0.26 0.00 -0.81 0.00 0.00 59.98 58.98 3cem h ARG 426 Cb 0.11 0.00 0.03 0.00 -0.42 0.00 0.00 29.97 29.68 3cem h ARG 426 CO -0.01 0.09 -1.14 0.00 -1.51 0.00 0.00 179.97 177.40 3cem h ARG 427 N 0.00 0.39 -0.04 0.20 3.08 -0.67 -3.30 114.38 114.03 3cem h ARG 427 Ca -0.00 -0.66 0.00 0.00 0.07 0.00 0.00 59.98 59.38 3cem h ARG 427 Cb 0.26 0.25 0.00 0.00 0.08 0.00 0.00 29.97 30.56 3cem h ARG 427 CO 0.01 1.32 0.00 -1.33 -1.07 0.00 0.00 179.97 178.90 3cem n MET 428 N -3.94 1.39 -2.35 0.04 2.81 -0.55 -4.91 117.12 109.62 3cem n MET 428 Ca -0.16 -0.57 -0.37 0.00 -1.81 0.00 0.00 57.70 54.79 3cem n MET 428 Cb 0.94 -1.43 -0.02 0.00 -0.71 0.00 0.00 33.22 32.00 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 -1.82 6.40 0.29 7.83 0.15 -0.85 -4.91 113.70 120.79 3cem s SER 429 Ca 0.37 2.24 0.26 0.00 0.70 0.00 0.00 55.95 59.52 3cem s SER 429 Cb 0.19 -2.60 0.90 0.00 -1.71 0.00 0.00 66.02 62.80 3cem s SER 429 CO 0.30 -0.75 1.76 -0.07 1.20 0.00 0.00 173.24 175.68 3cem h LEU 430 N 2.28 0.00 -8.86 3.45 3.38 -1.90 -3.43 115.31 110.23 3cem h LEU 430 Ca -0.49 0.00 -0.63 0.00 0.09 0.00 0.00 57.88 56.85 3cem h LEU 430 Cb 1.24 0.00 -0.19 0.00 0.09 0.00 0.00 40.66 41.79 3cem h LEU 430 CO 0.61 0.00 -0.59 -0.63 0.09 0.00 0.00 178.44 177.92 3cem s ILE 431 N -3.26 4.57 -0.24 1.22 -1.09 -1.26 -0.71 121.20 120.42 3cem s ILE 431 Ca 0.07 -0.10 -0.17 0.00 -2.23 0.00 0.00 60.65 58.21 3cem s ILE 431 Cb 0.10 -3.10 -0.03 0.00 -1.58 0.00 0.00 42.46 37.85 3cem s ILE 431 CO 0.51 0.39 0.48 -1.61 -1.23 0.00 0.00 174.94 173.48 3cem s GLU 432 N 1.05 4.10 0.00 2.79 2.02 0.38 -4.96 118.70 124.09 3cem s GLU 432 Ca 0.04 0.29 0.21 0.00 0.02 0.00 0.00 54.97 55.53 3cem s GLU 432 Cb -0.14 -3.62 0.10 0.00 0.10 0.00 0.00 34.13 30.57 3cem s GLU 432 CO 0.03 -0.26 1.11 -1.91 0.02 0.00 0.00 175.26 174.25 3cem n GLU 433 N 5.23 1.75 0.00 1.61 4.07 -1.26 -1.16 120.64 130.87 3cem n GLU 433 Ca -0.05 -1.45 0.00 0.00 -0.06 0.00 0.00 57.16 55.59 3cem n GLU 433 Cb 0.50 -1.40 0.00 0.00 -0.06 0.00 0.00 31.44 30.48 3cem n GLU 433 CO 0.00 0.00 0.00 0.39 -0.06 0.00 0.00 177.13 177.46 3cem n GLU 434 N 0.73 2.62 0.00 5.31 4.71 -1.26 -4.68 120.64 128.07 3cem n GLU 434 Ca 0.11 0.00 0.00 0.00 -0.01 0.00 0.00 57.16 57.26 3cem n GLU 434 Cb 0.49 0.00 0.00 0.00 -1.01 0.00 0.00 31.44 30.92 3cem n GLU 434 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 3cem n GLY 435 N 0.00 -3.35 3.64 0.62 0.00 -1.26 -4.03 105.19 100.80 3cem n GLY 435 Ca 0.00 0.50 -0.43 0.00 0.00 0.00 0.00 46.02 46.09 3cem n GLY 435 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3cem s SER 436 N -2.65 6.77 0.11 1.61 0.01 -1.26 -5.02 113.70 113.26 3cem s SER 436 Ca 0.00 1.39 -0.30 0.00 1.31 0.00 0.00 55.95 58.35 3cem s SER 436 Cb 0.00 -2.54 -0.06 0.00 0.21 0.00 0.00 66.02 63.63 3cem s SER 436 CO 0.00 -0.96 1.16 -0.54 0.41 0.00 0.00 173.24 173.31 3cem s LYS 437 N 3.93 4.49 0.04 12.44 1.02 -1.26 -4.77 119.74 135.63 3cem s LYS 437 Ca 0.56 1.75 0.05 0.00 0.02 0.00 0.00 55.97 58.35 3cem s LYS 437 Cb -0.19 -3.32 -0.02 0.00 -0.52 0.00 0.00 37.83 33.79 3cem s LYS 437 CO 0.20 -0.13 -0.13 1.03 -0.92 0.00 0.00 175.35 175.40 3cem s ARG 438 N 0.46 0.87 -0.14 1.68 0.52 -0.31 -1.30 118.95 120.73 3cem s ARG 438 Ca 0.55 -0.77 -0.27 0.00 -0.52 0.00 0.00 55.73 54.73 3cem s ARG 438 Cb -0.29 -0.86 -0.01 0.00 0.52 0.00 0.00 34.95 34.30 3cem s ARG 438 CO 0.32 0.21 0.88 0.42 0.02 0.00 0.00 175.30 177.15 3cem s ILE 439 N -0.92 4.85 -0.81 1.52 1.01 0.63 -0.47 121.20 127.01 3cem s ILE 439 Ca 0.00 1.76 -0.22 0.00 0.00 0.00 0.00 60.65 62.19 3cem s ILE 439 Cb -0.08 -4.19 0.08 0.00 0.01 0.00 0.00 42.46 38.28 3cem s ILE 439 CO 0.01 0.03 1.13 0.21 0.00 0.00 0.00 174.94 176.32 3cem s ASN 440 N 1.12 6.37 0.53 3.58 3.84 0.11 -2.06 114.94 128.42 3cem s ASN 440 Ca 0.41 -1.33 0.18 0.00 0.21 0.00 0.00 52.86 52.33 3cem s ASN 440 Cb -0.17 -2.45 1.33 0.00 -0.55 0.00 0.00 41.25 39.40 3cem s ASN 440 CO 0.14 -1.38 2.16 0.24 -2.79 0.00 0.00 177.10 175.47 3cem h MET 441 N 9.43 0.00 0.03 0.43 2.86 -1.71 -2.03 114.93 123.94 3cem h MET 441 Ca -0.07 0.00 -0.00 0.00 -2.06 0.00 0.00 59.70 57.57 3cem h MET 441 Cb 1.04 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.70 3cem h MET 441 CO 1.21 0.00 -0.02 0.00 1.06 0.00 0.00 176.91 179.16 3cem h ALA 442 N 1.99 -0.04 -0.93 6.32 0.00 -1.91 -0.66 119.26 124.02 3cem h ALA 442 Ca 0.01 -0.06 0.10 0.00 0.00 0.00 0.00 54.91 54.96 3cem h ALA 442 Cb 0.02 0.02 -0.08 0.00 0.00 0.00 0.00 17.79 17.75 3cem h ALA 442 CO -0.00 -0.48 0.57 0.45 0.00 0.00 0.00 179.25 179.80 3cem h HIS 443 N -0.14 1.05 -0.66 0.00 3.86 -1.74 0.34 115.15 117.85 3cem h HIS 443 Ca -0.00 0.03 0.01 0.00 -1.16 0.00 0.00 60.37 59.25 3cem h HIS 443 Cb 0.12 -0.33 -0.03 0.00 1.06 0.00 0.00 27.41 28.23 3cem h HIS 443 CO -0.04 0.45 0.44 1.25 0.86 0.00 0.00 177.93 180.89 3cem h LEU 444 N 0.96 0.75 -0.81 2.43 5.85 -1.26 -1.43 115.31 121.80 3cem h LEU 444 Ca 0.44 -0.02 -0.11 0.00 0.84 0.00 0.00 57.88 59.04 3cem h LEU 444 Cb 0.36 -0.18 -0.01 0.00 0.37 0.00 0.00 40.66 41.19 3cem h LEU 444 CO -0.23 0.54 -0.27 0.00 -0.34 0.00 0.00 178.44 178.13 3cem h ILE 446 N 0.51 1.22 0.00 0.00 2.04 0.28 -2.91 117.51 118.65 3cem h ILE 446 Ca 0.07 -0.72 -0.17 0.00 1.00 0.00 0.00 64.86 65.04 3cem h ILE 446 Cb 0.73 1.26 -0.02 0.00 -0.74 0.00 0.00 36.82 38.04 3cem h ILE 446 CO 0.06 0.23 -0.83 -0.37 0.00 0.00 0.00 178.15 177.24 3cem h VAL 447 N 0.19 1.36 -0.01 1.67 -1.51 -1.21 -3.08 116.25 113.65 3cem h VAL 447 Ca 0.07 -2.93 0.00 0.00 -1.23 0.00 0.00 66.70 62.61 3cem h VAL 447 Cb 0.30 2.67 0.00 0.00 -2.13 0.00 0.00 31.29 32.13 3cem h VAL 447 CO 0.00 0.77 0.00 0.61 -1.23 0.00 0.00 177.57 177.73 3cem n GLY 448 N 1.31 -0.90 3.50 5.19 0.00 -0.85 -4.90 105.19 108.53 3cem n GLY 448 Ca 0.00 -0.17 -0.26 0.00 0.00 0.00 0.00 46.02 45.59 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 -1.75 3.86 0.00 1.61 0.01 -1.10 -3.84 113.70 112.49 3cem s SER 449 Ca 0.36 -0.74 0.23 0.00 1.31 0.00 0.00 55.95 57.10 3cem s SER 449 Cb 0.17 -0.49 0.05 0.00 0.21 0.00 0.00 66.02 65.95 3cem s SER 449 CO 0.28 0.10 1.09 0.00 0.41 0.00 0.00 173.24 175.12 3cem n HIS 450 N 0.03 0.02 -3.84 2.43 1.44 -0.77 -4.93 115.22 109.60 3cem n HIS 450 Ca -0.11 0.00 -0.12 0.00 -2.01 0.00 0.00 57.72 55.49 3cem n HIS 450 Cb 0.56 -0.12 -0.11 0.00 0.12 0.00 0.00 29.99 30.44 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 -3.02 -0.41 -0.05 1.59 0.00 -1.26 -4.58 121.76 114.03 3cem s ALA 451 Ca 0.09 0.18 -0.01 0.00 0.00 0.00 0.00 51.96 52.22 3cem s ALA 451 Cb 0.16 -0.08 0.03 0.00 0.00 0.00 0.00 23.12 23.24 3cem s ALA 451 CO 0.81 -0.16 0.02 0.08 0.00 0.00 0.00 175.76 176.51 3cem s VAL 452 N -0.72 0.17 0.04 0.00 1.01 -0.47 -1.70 120.40 118.73 3cem s VAL 452 Ca -0.08 0.22 0.08 0.00 0.00 0.00 0.00 61.98 62.19 3cem s VAL 452 Cb -0.05 -0.35 -0.03 0.00 0.00 0.00 0.00 36.38 35.96 3cem s VAL 452 CO 0.01 0.21 -0.22 0.54 0.00 0.00 0.00 175.10 175.64 3cem s ASN 453 N 1.83 2.59 0.61 3.32 4.22 -0.29 0.32 114.94 127.55 3cem s ASN 453 Ca 0.02 -0.53 -0.01 0.00 -2.14 0.00 0.00 52.86 50.20 3cem s ASN 453 Cb -0.12 -0.22 0.04 0.00 1.28 0.00 0.00 41.25 42.22 3cem s ASN 453 CO -0.04 0.18 0.27 0.61 -2.04 0.00 0.00 177.10 176.08 3cem n GLY 454 N 1.87 0.21 0.00 0.45 0.00 -1.16 -0.33 105.19 106.22 3cem n GLY 454 Ca -0.17 -1.89 0.00 0.00 0.00 0.00 0.00 46.02 43.95 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 -1.93 0.26 -3.54 1.61 0.24 -1.26 -1.70 118.33 112.01 3cem n VAL 455 Ca 0.04 -0.34 -0.17 0.00 -2.04 0.00 0.00 64.34 61.83 3cem n VAL 455 Cb 0.14 1.09 -0.06 0.00 -1.47 0.00 0.00 33.84 33.54 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 -0.26 -1.65 0.23 2.33 0.00 -1.26 -1.54 121.76 119.61 3cem s ALA 456 Ca 0.00 1.17 -0.18 0.00 0.00 0.00 0.00 51.96 52.95 3cem s ALA 456 Cb 0.00 0.05 0.23 0.00 0.00 0.00 0.00 23.12 23.40 3cem s ALA 456 CO 0.00 -0.37 1.55 0.87 0.00 0.00 0.00 175.76 177.81 3cem h LYS 457 N 3.05 -0.01 0.00 0.00 1.57 -1.90 0.27 116.57 119.56 3cem h LYS 457 Ca -0.28 0.00 -0.10 0.00 -1.87 0.00 0.00 60.65 58.41 3cem h LYS 457 Cb 1.15 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.45 3cem h LYS 457 CO 0.39 -0.01 -0.45 0.97 -0.57 0.00 0.00 179.45 179.78 3cem h ILE 458 N -0.01 1.16 0.01 1.86 2.10 -1.91 -2.27 117.51 118.46 3cem h ILE 458 Ca 0.34 -1.64 -0.00 0.00 1.08 0.00 0.00 64.86 64.64 3cem h ILE 458 Cb 0.60 1.92 0.00 0.00 -1.09 0.00 0.00 36.82 38.25 3cem h ILE 458 CO -0.98 0.44 -0.00 -0.74 -1.08 0.00 0.00 178.15 175.79 3cem h HIS 459 N 0.00 -0.01 -0.88 2.19 2.76 -1.32 -2.90 115.15 115.00 3cem h HIS 459 Ca -0.00 -0.00 0.14 0.00 -2.20 0.00 0.00 60.37 58.30 3cem h HIS 459 Cb 0.89 0.00 -0.07 0.00 1.55 0.00 0.00 27.41 29.78 3cem h HIS 459 CO 0.00 0.84 0.57 0.77 -1.30 0.00 0.00 177.93 178.81 3cem h SER 460 N -0.96 0.65 0.39 3.26 0.02 -1.04 0.85 113.55 116.73 3cem h SER 460 Ca -0.00 0.04 -0.02 0.00 -0.84 0.00 0.00 61.79 60.97 3cem h SER 460 Cb 0.85 -0.09 0.00 0.00 0.14 0.00 0.00 62.40 63.30 3cem h SER 460 CO 0.00 0.34 -0.20 -0.78 -1.14 0.00 0.00 176.83 175.05 3cem h ASP 461 N 0.70 -0.50 0.36 3.07 3.58 -1.45 -1.79 116.42 120.40 3cem h ASP 461 Ca 0.43 0.02 -0.11 0.00 0.42 0.00 0.00 57.03 57.80 3cem h ASP 461 Cb 0.68 0.14 -0.01 0.00 1.72 0.00 0.00 39.33 41.85 3cem h ASP 461 CO -0.19 -0.34 -0.46 0.40 -2.88 0.00 0.00 179.24 175.76 3cem h ILE 462 N -0.55 1.33 -0.72 2.25 2.04 -1.18 0.00 117.51 120.69 3cem h ILE 462 Ca -0.05 -1.62 -0.02 0.00 1.00 0.00 0.00 64.86 64.17 3cem h ILE 462 Cb 0.43 1.81 -0.03 0.00 -0.74 0.00 0.00 36.82 38.29 3cem h ILE 462 CO 0.07 0.47 0.38 0.58 0.00 0.00 0.00 178.15 179.65 3cem h VAL 463 N 0.10 1.23 -0.04 1.67 2.07 -0.70 -1.72 116.25 118.86 3cem h VAL 463 Ca 0.00 -0.59 -0.06 0.00 0.82 0.00 0.00 66.70 66.87 3cem h VAL 463 Cb 0.86 0.30 0.00 0.00 -1.52 0.00 0.00 31.29 30.93 3cem h VAL 463 CO 0.07 0.26 -0.22 0.50 0.02 0.00 0.00 177.57 178.19 3cem h LYS 464 N 0.99 0.23 0.00 1.57 3.64 -1.10 0.86 116.57 122.76 3cem h LYS 464 Ca 0.25 -0.19 -0.06 0.00 -1.27 0.00 0.00 60.65 59.38 3cem h LYS 464 Cb 0.07 0.04 -0.01 0.00 -0.41 0.00 0.00 32.23 31.92 3cem h LYS 464 CO -0.04 0.84 -1.41 0.25 -2.27 0.00 0.00 179.45 176.83 3cem n THR 465 N -4.53 0.67 0.00 1.00 -2.24 -0.03 -3.14 114.28 106.01 3cem n THR 465 Ca -0.09 -0.59 -0.00 0.00 -2.27 0.00 0.00 64.05 61.10 3cem n THR 465 Cb 0.45 -0.37 -0.00 0.00 -2.10 0.00 0.00 70.33 68.31 3cem n THR 465 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 3cem n LYS 466 N -2.64 0.02 -0.06 -0.78 4.76 -0.71 -4.39 118.16 114.36 3cem n LYS 466 Ca -0.05 0.01 -0.01 0.00 -2.87 0.00 0.00 58.31 55.39 3cem n LYS 466 Cb 0.66 -0.23 0.26 0.00 -1.84 0.00 0.00 35.03 33.88 3cem n LYS 466 CO 0.00 0.00 0.00 0.28 -1.37 0.00 0.00 177.40 176.31 3cem h VAL 467 N -0.05 1.20 0.00 -0.18 2.07 -1.40 -3.06 116.25 114.83 3cem h VAL 467 Ca 0.00 -0.73 -0.07 0.00 0.82 0.00 0.00 66.70 66.72 3cem h VAL 467 Cb 0.05 0.76 -0.14 0.00 -1.52 0.00 0.00 31.29 30.44 3cem h VAL 467 CO 0.00 0.27 -0.66 0.49 0.02 0.00 0.00 177.57 177.69 3cem n PHE 468 N -4.30 0.00 -0.26 1.57 0.99 0.29 -4.87 117.46 110.89 3cem n PHE 468 Ca 0.03 -1.00 0.04 0.00 -0.00 0.00 0.00 57.45 56.52 3cem n PHE 468 Cb 0.21 -0.19 0.27 0.00 -1.00 0.00 0.00 39.48 38.77 3cem n PHE 468 CO 0.00 0.00 0.00 -0.22 -0.00 0.00 0.00 176.76 176.54 3cem h LYS 469 N 0.86 0.94 -0.89 -1.08 3.64 -1.48 0.21 116.57 118.77 3cem h LYS 469 Ca -0.08 -0.06 0.18 0.00 -1.27 0.00 0.00 60.65 59.42 3cem h LYS 469 Cb 1.36 -0.21 -0.07 0.00 -0.41 0.00 0.00 32.23 32.90 3cem h LYS 469 CO 0.04 0.62 0.58 -0.44 -2.27 0.00 0.00 179.45 177.98 3cem h ASP 470 N 0.97 0.51 0.19 4.20 3.45 -1.88 0.33 116.42 124.19 3cem h ASP 470 Ca 0.35 0.04 -0.32 0.00 0.43 0.00 0.00 57.03 57.53 3cem h ASP 470 Cb 0.14 -0.05 0.02 0.00 -0.56 0.00 0.00 39.33 38.88 3cem h ASP 470 CO -0.12 0.22 -1.55 -0.26 -1.57 0.00 0.00 179.24 175.97 3cem h PHE 471 N 0.52 0.75 -0.04 4.55 -1.00 -1.03 -3.28 116.94 117.39 3cem h PHE 471 Ca 0.46 -0.55 -0.20 0.00 2.81 0.00 0.00 57.97 60.49 3cem h PHE 471 Cb 0.97 -0.03 -0.00 0.00 3.61 0.00 0.00 35.95 40.50 3cem h PHE 471 CO -0.00 1.60 -0.82 0.66 -1.61 0.00 0.00 178.31 178.14 3cem h SER 472 N 0.02 0.50 -0.64 2.17 4.64 -0.88 -1.31 113.55 118.04 3cem h SER 472 Ca -0.30 -0.36 0.13 0.00 -0.47 0.00 0.00 61.79 60.79 3cem h SER 472 Cb 2.03 -0.15 -0.09 0.00 -0.31 0.00 0.00 62.40 63.88 3cem h SER 472 CO 0.19 1.13 0.14 -0.33 -0.87 0.00 0.00 176.83 177.08 3cem h GLU 473 N 0.25 0.25 -0.09 4.77 5.08 -0.52 -1.62 114.58 122.71 3cem h GLU 473 Ca -0.05 -0.02 -0.07 0.00 -1.00 0.00 0.00 59.36 58.22 3cem h GLU 473 Cb 1.43 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 30.61 3cem h GLU 473 CO 0.14 0.17 -0.28 -0.07 -1.00 0.00 0.00 179.01 177.97 3cem h LEU 474 N 0.26 0.16 -5.79 1.33 4.07 -1.54 -3.40 115.31 110.42 3cem h LEU 474 Ca 0.34 -0.05 -0.47 0.00 0.08 0.00 0.00 57.88 57.78 3cem h LEU 474 Cb 0.53 -0.04 -0.34 0.00 1.08 0.00 0.00 40.66 41.89 3cem h LEU 474 CO -0.44 0.45 -0.99 -0.62 -1.08 0.00 0.00 178.44 175.76 3cem n GLU 475 N -4.15 0.80 -0.32 1.13 1.02 -0.53 -5.02 120.64 113.57 3cem n GLU 475 Ca -0.01 -2.95 0.01 0.00 -0.02 0.00 0.00 57.16 54.18 3cem n GLU 475 Cb 0.37 -1.35 0.18 0.00 -0.02 0.00 0.00 31.44 30.62 3cem n GLU 475 CO 0.00 0.00 0.00 -1.35 1.18 0.00 0.00 177.13 176.96 3cem h PRO 476 N 3.70 1.14 0.00 3.49 0.11 -1.55 -1.27 132.00 137.62 3cem h PRO 476 Ca 0.03 -0.07 0.00 0.00 0.11 0.00 0.00 66.00 66.07 3cem h PRO 476 Cb 0.94 -0.26 0.00 0.00 0.11 0.00 0.00 31.00 31.79 3cem h PRO 476 CO 0.43 0.75 0.00 -0.44 -0.21 0.00 0.00 178.00 178.53 3cem h ASP 477 N 1.18 0.00 -0.75 -2.05 3.32 -1.96 -2.78 116.42 113.38 3cem h ASP 477 Ca 0.36 0.00 0.03 0.00 0.02 0.00 0.00 57.03 57.44 3cem h ASP 477 Cb -0.03 0.00 -0.05 0.00 0.22 0.00 0.00 39.33 39.47 3cem h ASP 477 CO -0.10 0.00 0.47 0.50 -1.72 0.00 0.00 179.24 178.39 3cem h LYS 478 N 0.00 0.89 -5.74 3.56 3.64 -1.47 -3.44 116.57 114.01 3cem h LYS 478 Ca 0.00 -0.05 -0.59 0.00 -1.27 0.00 0.00 60.65 58.74 3cem h LYS 478 Cb 0.26 -0.20 -0.09 0.00 -0.41 0.00 0.00 32.23 31.80 3cem h LYS 478 CO 0.00 0.59 0.14 -0.06 -2.27 0.00 0.00 179.45 177.85 3cem s PHE 479 N -6.11 3.41 0.27 1.91 0.40 -1.05 -1.37 117.98 115.44 3cem s PHE 479 Ca -0.13 1.00 0.02 0.00 -0.60 0.00 0.00 56.93 57.22 3cem s PHE 479 Cb 0.16 -2.82 -0.05 0.00 0.51 0.00 0.00 43.02 40.82 3cem s PHE 479 CO 0.78 -0.14 0.07 -0.65 0.70 0.00 0.00 175.22 175.98 3cem s GLN 480 N 1.77 1.45 0.00 0.44 -0.21 0.15 -4.95 119.66 118.31 3cem s GLN 480 Ca 0.31 -1.78 0.06 0.00 0.02 0.00 0.00 55.36 53.97 3cem s GLN 480 Cb -0.16 -0.44 -0.03 0.00 1.00 0.00 0.00 33.01 33.38 3cem s GLN 480 CO 0.11 -0.25 -0.19 1.21 -2.12 0.00 0.00 175.29 174.06 3cem s ASN 481 N -3.35 3.67 -0.30 5.90 3.84 -1.26 -3.00 114.94 120.44 3cem s ASN 481 Ca 0.36 -0.38 -0.03 0.00 0.21 0.00 0.00 52.86 53.02 3cem s ASN 481 Cb 0.08 -0.61 0.10 0.00 -0.55 0.00 0.00 41.25 40.27 3cem s ASN 481 CO 0.13 0.30 0.13 -0.54 -2.79 0.00 0.00 177.10 174.32 3cem s LYS 482 N -1.04 0.31 0.14 0.43 -0.14 -0.69 -4.95 119.74 113.81 3cem s LYS 482 Ca 0.13 -0.67 -0.30 0.00 -1.36 0.00 0.00 55.97 53.76 3cem s LYS 482 Cb -0.10 -1.34 -0.08 0.00 -1.68 0.00 0.00 37.83 34.63 3cem s LYS 482 CO 0.02 -1.02 1.28 0.99 -0.76 0.00 0.00 175.35 175.86 3cem s THR 483 N 1.97 3.51 1.02 2.17 2.01 -1.26 -4.07 115.64 120.99 3cem s THR 483 Ca 0.09 1.17 -0.12 0.00 0.31 0.00 0.00 61.69 63.14 3cem s THR 483 Cb -0.16 -3.75 0.16 0.00 0.01 0.00 0.00 72.50 68.76 3cem s THR 483 CO -0.34 0.14 0.83 0.59 -0.69 0.00 0.00 174.62 175.16 3cem n ASN 484 N 3.22 -1.01 -3.92 3.53 3.02 -0.59 -4.66 115.26 114.85 3cem n ASN 484 Ca 0.08 0.19 -0.08 0.00 -0.03 0.00 0.00 54.58 54.73 3cem n ASN 484 Cb 0.44 -1.31 -0.04 0.00 -0.61 0.00 0.00 39.78 38.26 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 -2.36 0.25 0.06 7.41 0.00 -1.26 -4.81 107.32 106.60 3cem s GLY 485 Ca 0.64 -0.61 0.03 0.00 0.00 0.00 0.00 44.72 44.78 3cem s GLY 485 CO 0.63 -0.41 -0.10 -0.26 0.00 0.00 0.00 173.10 172.96 3cem s ILE 486 N -3.97 0.74 -0.02 0.90 -4.36 0.19 -4.53 121.20 110.14 3cem s ILE 486 Ca 0.17 -1.22 -0.29 0.00 -0.26 0.00 0.00 60.65 59.05 3cem s ILE 486 Cb -0.02 -0.84 -0.03 0.00 1.25 0.00 0.00 42.46 42.82 3cem s ILE 486 CO 0.07 -0.37 0.95 0.28 0.24 0.00 0.00 174.94 176.10 3cem s THR 487 N -1.53 4.88 -1.92 8.37 -1.32 -1.26 -0.72 115.64 122.14 3cem s THR 487 Ca -0.06 1.98 0.27 0.00 -1.21 0.00 0.00 61.69 62.67 3cem s THR 487 Cb -0.09 -4.28 0.72 0.00 -1.51 0.00 0.00 72.50 67.34 3cem s THR 487 CO 0.01 0.15 1.94 -0.81 -2.21 0.00 0.00 174.62 173.69 3cem n PRO 488 N 4.05 0.77 0.00 7.08 -0.04 -1.26 -1.42 135.00 144.18 3cem n PRO 488 Ca 0.05 0.01 0.00 0.00 -0.04 0.00 0.00 63.50 63.52 3cem n PRO 488 Cb 0.51 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.47 3cem n PRO 488 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 3cem n ARG 489 N -1.04 0.00 -0.26 0.54 3.00 -1.26 -1.89 116.66 115.74 3cem n ARG 489 Ca 0.19 0.35 0.02 0.00 -0.01 0.00 0.00 57.85 58.40 3cem n ARG 489 Cb 0.11 -0.98 0.24 0.00 0.00 0.00 0.00 32.46 31.83 3cem n ARG 489 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.63 177.54 3cem h ARG 490 N 0.00 1.00 -0.62 5.56 2.43 -1.96 -0.23 114.38 120.56 3cem h ARG 490 Ca 0.00 -0.06 0.00 0.00 -0.81 0.00 0.00 59.98 59.11 3cem h ARG 490 Cb 0.00 -0.23 0.00 0.00 -0.42 0.00 0.00 29.97 29.32 3cem h ARG 490 CO 0.00 0.66 0.00 0.91 -1.51 0.00 0.00 179.97 180.03 3cem n TRP 491 N -4.45 1.04 0.03 2.20 7.02 -0.51 -2.29 117.44 120.48 3cem n TRP 491 Ca 0.11 -0.45 0.00 0.00 -1.02 0.00 0.00 57.50 56.14 3cem n TRP 491 Cb 0.11 -0.12 0.00 0.00 -2.42 0.00 0.00 31.31 28.88 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 1.05 -0.25 -0.30 -0.99 7.94 -0.93 -4.80 117.00 118.71 3cem n LEU 492 Ca 0.21 0.11 0.12 0.00 -1.11 0.00 0.00 56.01 55.33 3cem n LEU 492 Cb 0.64 0.38 0.29 0.00 0.53 0.00 0.00 43.42 45.26 3cem n LEU 492 CO 0.17 -0.49 1.07 -0.07 -1.11 0.00 0.00 177.39 176.95 3cem h LEU 493 N 0.00 0.40 0.00 -1.96 3.38 -0.97 0.19 115.31 116.36 3cem h LEU 493 Ca 0.00 0.14 -0.02 0.00 0.09 0.00 0.00 57.88 58.09 3cem h LEU 493 Cb 0.00 0.09 -0.00 0.00 0.09 0.00 0.00 40.66 40.84 3cem h LEU 493 CO 0.00 0.07 -0.16 0.25 0.09 0.00 0.00 178.44 178.68 3cem h LEU 494 N 0.47 0.00 -0.15 1.67 6.46 -1.16 -3.33 115.31 119.27 3cem h LEU 494 Ca 0.54 -0.43 0.00 0.00 -0.12 0.00 0.00 57.88 57.87 3cem h LEU 494 Cb 0.96 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 40.89 3cem h LEU 494 CO -0.48 0.81 0.00 0.00 -0.62 0.00 0.00 178.44 178.15 3cem n ASN 496 N -2.98 0.62 -0.36 0.00 2.85 0.68 -4.77 115.26 111.30 3cem n ASN 496 Ca 0.04 -2.86 0.04 0.00 -0.11 0.00 0.00 54.58 51.70 3cem n ASN 496 Cb 0.49 -0.63 0.20 0.00 1.24 0.00 0.00 39.78 41.08 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 3.59 1.05 -0.42 1.20 0.13 -1.67 -2.08 132.00 133.81 3cem h PRO 497 Ca 0.09 -0.06 0.06 0.00 -0.87 0.00 0.00 66.00 65.22 3cem h PRO 497 Cb 0.90 -0.24 -0.09 0.00 0.13 0.00 0.00 31.00 31.71 3cem h PRO 497 CO 0.49 0.70 -0.48 0.78 -0.23 0.00 0.00 178.00 179.26 3cem h GLY 498 N 1.08 -0.73 1.19 1.56 0.00 -1.92 0.51 103.07 104.76 3cem h GLY 498 Ca 0.46 0.62 -0.11 0.00 0.00 0.00 0.00 47.33 48.29 3cem h GLY 498 CO -0.22 -0.16 -0.14 -2.00 0.00 0.00 0.00 176.54 174.03 3cem h LEU 499 N -0.35 0.95 -0.49 3.11 6.46 -1.81 -1.25 115.31 121.92 3cem h LEU 499 Ca 0.11 -0.32 -0.06 0.00 -0.12 0.00 0.00 57.88 57.50 3cem h LEU 499 Cb 0.59 -0.26 -0.02 0.00 -0.73 0.00 0.00 40.66 40.24 3cem h LEU 499 CO -0.59 1.08 0.09 0.00 -0.62 0.00 0.00 178.44 178.40 3cem h ALA 500 N 1.00 0.65 -0.24 1.25 0.00 -1.09 -0.66 119.26 120.16 3cem h ALA 500 Ca 0.13 -0.23 0.00 0.00 0.00 0.00 0.00 54.91 54.81 3cem h ALA 500 Cb 0.68 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.28 3cem h ALA 500 CO 0.05 0.37 0.15 1.49 0.00 0.00 0.00 179.25 181.31 3cem h GLU 501 N 0.68 0.32 -0.31 0.00 4.81 -0.83 -1.72 114.58 117.53 3cem h GLU 501 Ca 0.15 -0.03 0.05 0.00 -0.13 0.00 0.00 59.36 59.40 3cem h GLU 501 Cb 0.38 -0.07 -0.04 0.00 0.63 0.00 0.00 28.75 29.65 3cem h GLU 501 CO 0.01 0.24 0.05 1.25 -0.73 0.00 0.00 179.01 179.83 3cem h LEU 502 N 0.31 -0.01 -0.36 1.64 6.46 -0.81 0.15 115.31 122.70 3cem h LEU 502 Ca 0.09 0.05 -0.04 0.00 -0.12 0.00 0.00 57.88 57.86 3cem h LEU 502 Cb -0.00 0.08 -0.01 0.00 -0.73 0.00 0.00 40.66 39.99 3cem h LEU 502 CO -0.02 0.03 0.05 0.40 -0.62 0.00 0.00 178.44 178.29 3cem h ILE 503 N 0.16 1.24 -0.88 4.05 2.04 -1.05 -2.42 117.51 120.66 3cem h ILE 503 Ca 0.15 -0.86 0.03 0.00 1.00 0.00 0.00 64.86 65.18 3cem h ILE 503 Cb 0.17 1.11 -0.05 0.00 -0.74 0.00 0.00 36.82 37.31 3cem h ILE 503 CO -0.20 0.29 0.57 0.00 0.00 0.00 0.00 178.15 178.81 3cem h ALA 504 N 0.90 1.15 -1.00 1.87 0.00 -0.78 -0.27 119.26 121.13 3cem h ALA 504 Ca 0.11 -0.04 0.05 0.00 0.00 0.00 0.00 54.91 55.02 3cem h ALA 504 Cb 0.37 -0.31 -0.06 0.00 0.00 0.00 0.00 17.79 17.79 3cem h ALA 504 CO 0.01 0.43 0.65 0.93 0.00 0.00 0.00 179.25 181.27 3cem h GLU 505 N 1.11 1.20 0.13 0.00 5.08 -0.46 0.07 114.58 121.72 3cem h GLU 505 Ca 0.35 -0.07 -0.27 0.00 -1.00 0.00 0.00 59.36 58.36 3cem h GLU 505 Cb -0.01 -0.27 0.03 0.00 0.50 0.00 0.00 28.75 28.99 3cem h GLU 505 CO -0.11 0.80 -1.15 0.87 -1.00 0.00 0.00 179.01 178.42 3cem h LYS 506 N 1.24 0.55 0.00 2.33 1.79 -0.79 -3.41 116.57 118.28 3cem h LYS 506 Ca 0.41 -0.76 -0.01 0.00 -2.18 0.00 0.00 60.65 58.11 3cem h LYS 506 Cb 0.06 0.26 -0.01 0.00 -1.58 0.00 0.00 32.23 30.95 3cem h LYS 506 CO -0.14 1.34 -0.33 0.44 -1.08 0.00 0.00 179.45 179.69 3cem n ILE 507 N -3.88 0.79 -1.76 1.86 -5.35 -0.21 -5.12 119.36 105.68 3cem n ILE 507 Ca -0.14 -1.01 0.06 0.00 -0.27 0.00 0.00 62.75 61.40 3cem n ILE 507 Cb 0.95 0.21 -0.02 0.00 -1.74 0.00 0.00 39.64 39.04 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 -0.57 -1.96 1.21 3.28 0.00 0.01 -4.61 105.19 102.56 3cem n GLY 508 Ca 0.07 -1.33 0.11 0.00 0.00 0.00 0.00 46.02 44.87 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 -1.97 2.63 0.26 1.61 0.28 -1.26 -4.24 120.64 117.93 3cem n GLU 509 Ca 0.00 -2.46 0.11 0.00 -0.16 0.00 0.00 57.16 54.65 3cem n GLU 509 Cb 0.20 -1.52 0.68 0.00 1.43 0.00 0.00 31.44 32.24 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 4.14 0.00 -0.08 -1.84 3.45 -1.95 -2.81 116.42 117.33 3cem h ASP 510 Ca 0.00 0.00 0.02 0.00 0.43 0.00 0.00 57.03 57.48 3cem h ASP 510 Cb 0.96 0.00 -0.00 0.00 -0.56 0.00 0.00 39.33 39.73 3cem h ASP 510 CO 0.00 0.14 0.16 0.10 -1.57 0.00 0.00 179.24 178.07 3cem h TYR 511 N 0.00 0.00 -0.51 4.55 -0.00 -1.78 -1.68 116.97 117.55 3cem h TYR 511 Ca -0.00 0.00 -0.10 0.00 -0.00 0.00 0.00 58.73 58.63 3cem h TYR 511 Cb 0.34 0.00 -0.02 0.00 -0.00 0.00 0.00 36.73 37.05 3cem h TYR 511 CO 0.00 0.00 -0.09 0.28 -0.00 0.00 0.00 178.16 178.35 3cem h VAL 512 N 0.00 1.26 -0.01 -0.90 2.07 -1.86 -2.71 116.25 114.11 3cem h VAL 512 Ca 0.04 -1.21 0.00 0.00 0.82 0.00 0.00 66.70 66.35 3cem h VAL 512 Cb 0.36 0.97 0.00 0.00 -1.52 0.00 0.00 31.29 31.10 3cem h VAL 512 CO -0.00 0.42 -0.72 0.29 0.02 0.00 0.00 177.57 177.58 3cem n LYS 513 N -4.16 0.43 -3.43 1.57 5.02 -1.06 -4.68 118.16 111.86 3cem n LYS 513 Ca 0.02 -0.34 -0.23 0.00 -2.02 0.00 0.00 58.31 55.74 3cem n LYS 513 Cb 0.38 -1.49 -0.10 0.00 -0.02 0.00 0.00 35.03 33.79 3cem n LYS 513 CO 0.00 0.00 0.00 0.34 -0.52 0.00 0.00 177.40 177.22 3cem s ASP 514 N -2.80 2.21 0.16 4.39 3.68 -0.66 -5.00 116.67 118.65 3cem s ASP 514 Ca 0.13 -1.63 0.23 0.00 2.13 0.00 0.00 52.55 53.41 3cem s ASP 514 Cb 0.17 0.09 0.90 0.00 -1.45 0.00 0.00 42.92 42.63 3cem s ASP 514 CO 0.73 -0.32 1.71 -0.11 0.13 0.00 0.00 175.17 177.31 3cem n LEU 515 N 4.48 0.49 0.28 -1.34 7.94 -1.06 -1.74 117.00 126.04 3cem n LEU 515 Ca 0.07 0.59 0.13 0.00 -1.11 0.00 0.00 56.01 55.69 3cem n LEU 515 Cb 0.42 -0.48 0.80 0.00 0.53 0.00 0.00 43.42 44.69 3cem n LEU 515 CO 0.09 -0.32 1.04 0.77 -1.11 0.00 0.00 177.39 177.86 3cem h SER 516 N 0.00 0.00 0.05 1.96 4.64 -1.86 -1.02 113.55 117.32 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 0.46 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.55 3cem h SER 516 CO 0.00 0.07 0.00 0.00 -0.87 0.00 0.00 176.83 176.03 3cem n GLN 517 N -3.76 0.06 0.11 4.77 6.02 -0.71 -1.32 117.38 122.55 3cem n GLN 517 Ca -0.02 0.54 0.09 0.00 -0.01 0.00 0.00 57.00 57.59 3cem n GLN 517 Cb 0.17 -1.69 0.42 0.00 1.02 0.00 0.00 30.24 30.15 3cem n GLN 517 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 177.06 177.33 3cem n LEU 518 N -1.82 0.42 0.26 1.08 4.77 -0.39 -2.33 117.00 119.00 3cem n LEU 518 Ca -0.00 0.66 0.11 0.00 -0.03 0.00 0.00 56.01 56.75 3cem n LEU 518 Cb 0.03 -0.67 0.71 0.00 -2.33 0.00 0.00 43.42 41.16 3cem n LEU 518 CO 0.05 -0.69 0.98 0.71 -1.33 0.00 0.00 177.39 177.11 3cem h THR 519 N 0.00 0.69 -0.06 -5.08 1.35 -1.01 -1.25 112.91 107.54 3cem h THR 519 Ca 0.00 -0.47 0.02 0.00 -0.55 0.00 0.00 66.41 65.41 3cem h THR 519 Cb 0.12 1.29 -0.00 0.00 -1.73 0.00 0.00 68.15 67.83 3cem h THR 519 CO 0.00 0.11 0.28 0.11 -0.25 0.00 0.00 175.52 175.78 3cem h LYS 520 N 0.00 0.00 0.00 4.72 1.57 -1.71 -0.23 116.57 120.92 3cem h LYS 520 Ca -0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 3cem h LYS 520 Cb 0.28 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.59 3cem h LYS 520 CO 0.02 0.00 0.00 -0.07 -0.57 0.00 0.00 179.45 178.83 3cem h LEU 521 N 0.00 0.00 -1.48 2.94 3.38 -1.44 -2.91 115.31 115.80 3cem h LEU 521 Ca 0.03 0.00 0.14 0.00 0.09 0.00 0.00 57.88 58.14 3cem h LEU 521 Cb 0.60 0.00 -0.06 0.00 0.09 0.00 0.00 40.66 41.29 3cem h LEU 521 CO -0.00 0.00 0.52 0.45 0.09 0.00 0.00 178.44 179.50 3cem h HIS 522 N 0.00 0.60 0.00 1.13 3.86 -1.21 -2.24 115.15 117.29 3cem h HIS 522 Ca 0.00 0.02 0.00 0.00 -1.16 0.00 0.00 60.37 59.23 3cem h HIS 522 Cb 0.41 -0.19 0.00 0.00 1.06 0.00 0.00 27.41 28.69 3cem h HIS 522 CO 0.00 0.23 0.00 -1.13 0.86 0.00 0.00 177.93 177.89 3cem n SER 523 N -4.50 0.00 -0.97 2.45 3.41 -1.10 -2.30 113.62 110.60 3cem n SER 523 Ca 0.15 -1.13 0.08 0.00 -0.26 0.00 0.00 58.87 57.71 3cem n SER 523 Cb 0.50 0.00 0.24 0.00 -0.26 0.00 0.00 64.21 64.69 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 -0.76 0.90 0.18 7.33 3.01 -0.84 -4.75 117.46 122.53 3cem n PHE 524 Ca 0.10 -0.66 0.05 0.00 1.01 0.00 0.00 57.45 57.94 3cem n PHE 524 Cb 0.04 -0.18 0.50 0.00 -0.01 0.00 0.00 39.48 39.82 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 2.48 0.10 -2.04 4.37 3.38 -1.64 -2.16 115.31 119.80 3cem h LEU 525 Ca 0.00 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.96 3cem h LEU 525 Cb 1.17 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 41.89 3cem h LEU 525 CO 0.14 0.21 0.00 0.61 0.09 0.00 0.00 178.44 179.49 3cem n GLY 526 N -1.13 1.60 3.50 0.83 0.00 -1.26 -4.86 105.19 103.85 3cem n GLY 526 Ca -0.02 -0.60 -0.43 0.00 0.00 0.00 0.00 46.02 44.97 3cem n GLY 526 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3cem s ASP 527 N -1.02 6.51 0.19 1.61 -1.08 -0.81 -4.91 116.67 117.17 3cem s ASP 527 Ca 0.37 -1.63 -0.12 0.00 -0.52 0.00 0.00 52.55 50.66 3cem s ASP 527 Cb 0.19 -2.48 0.23 0.00 -1.46 0.00 0.00 42.92 39.40 3cem s ASP 527 CO 0.26 -1.31 1.72 0.44 0.52 0.00 0.00 175.17 176.79 3cem h ASP 528 N 9.34 0.06 -0.66 -0.34 5.19 -1.89 -1.12 116.42 127.01 3cem h ASP 528 Ca 0.11 0.09 -0.06 0.00 -0.62 0.00 0.00 57.03 56.55 3cem h ASP 528 Cb 1.02 0.11 -0.03 0.00 0.18 0.00 0.00 39.33 40.61 3cem h ASP 528 CO 1.25 0.06 0.21 0.58 -3.12 0.00 0.00 179.24 178.21 3cem h VAL 529 N 0.29 1.25 0.01 -1.35 2.07 -1.98 0.06 116.25 116.60 3cem h VAL 529 Ca 0.27 -0.87 -0.00 0.00 0.82 0.00 0.00 66.70 66.92 3cem h VAL 529 Cb 0.36 0.51 0.00 0.00 -1.52 0.00 0.00 31.29 30.64 3cem h VAL 529 CO -0.33 0.34 -0.00 0.15 0.02 0.00 0.00 177.57 177.75 3cem h PHE 530 N 1.01 -0.01 -0.74 1.57 3.57 -1.77 -0.26 116.94 120.31 3cem h PHE 530 Ca 0.22 -0.00 0.16 0.00 3.53 0.00 0.00 57.97 61.88 3cem h PHE 530 Cb 0.29 0.00 -0.11 0.00 2.79 0.00 0.00 35.95 38.93 3cem h PHE 530 CO 0.02 0.31 0.21 -0.07 -2.23 0.00 0.00 178.31 176.55 3cem h LEU 531 N -0.33 0.08 -1.08 0.59 3.38 -1.07 -0.53 115.31 116.34 3cem h LEU 531 Ca -0.00 0.14 -0.04 0.00 0.09 0.00 0.00 57.88 58.06 3cem h LEU 531 Cb 0.33 0.17 -0.03 0.00 0.09 0.00 0.00 40.66 41.22 3cem h LEU 531 CO 0.00 -0.01 0.16 0.03 0.09 0.00 0.00 178.44 178.71 3cem h ARG 532 N 0.31 0.81 -0.58 1.13 3.08 -0.83 -2.44 114.38 115.87 3cem h ARG 532 Ca 0.42 -0.15 -0.05 0.00 0.07 0.00 0.00 59.98 60.26 3cem h ARG 532 Cb 0.70 -0.13 -0.03 0.00 0.08 0.00 0.00 29.97 30.59 3cem h ARG 532 CO -0.48 0.71 0.14 0.93 -1.07 0.00 0.00 179.97 180.20 3cem h GLU 533 N 0.79 0.89 -0.07 0.04 5.08 0.43 -1.56 114.58 120.18 3cem h GLU 533 Ca 0.18 -0.19 -0.02 0.00 -1.00 0.00 0.00 59.36 58.33 3cem h GLU 533 Cb 0.25 -0.13 -0.00 0.00 0.50 0.00 0.00 28.75 29.36 3cem h GLU 533 CO -0.01 0.79 -0.04 1.25 -1.00 0.00 0.00 179.01 180.01 3cem h LEU 534 N 0.85 0.16 -1.95 1.33 5.85 -0.96 -1.43 115.31 119.17 3cem h LEU 534 Ca 0.19 -0.42 0.01 0.00 0.84 0.00 0.00 57.88 58.50 3cem h LEU 534 Cb 0.31 -0.04 -0.00 0.00 0.37 0.00 0.00 40.66 41.29 3cem h LEU 534 CO -0.00 0.55 0.07 0.00 -0.34 0.00 0.00 178.44 178.71 3cem h ALA 535 N 0.62 2.00 -0.12 1.25 0.00 -1.30 -2.01 119.26 119.70 3cem h ALA 535 Ca 0.02 -0.00 -0.15 0.00 0.00 0.00 0.00 54.91 54.77 3cem h ALA 535 Cb 0.49 -0.02 0.01 0.00 0.00 0.00 0.00 17.79 18.27 3cem h ALA 535 CO 0.01 -0.02 -0.53 -0.22 0.00 0.00 0.00 179.25 178.49 3cem h LYS 536 N 0.07 0.57 -0.48 0.00 3.64 -0.79 0.12 116.57 119.70 3cem h LYS 536 Ca 0.04 -0.45 0.09 0.00 -1.27 0.00 0.00 60.65 59.06 3cem h LYS 536 Cb 0.08 0.09 -0.08 0.00 -0.41 0.00 0.00 32.23 31.91 3cem h LYS 536 CO -0.01 1.08 -0.01 0.28 -2.27 0.00 0.00 179.45 178.53 3cem h VAL 537 N 0.20 0.62 -0.80 2.00 2.07 -0.97 0.27 116.25 119.63 3cem h VAL 537 Ca -0.03 -0.04 -0.01 0.00 0.82 0.00 0.00 66.70 67.44 3cem h VAL 537 Cb 1.17 0.50 -0.04 0.00 -1.52 0.00 0.00 31.29 31.40 3cem h VAL 537 CO 0.11 0.02 0.45 0.50 0.02 0.00 0.00 177.57 178.67 3cem h LYS 538 N 0.11 1.12 0.34 1.57 1.63 -1.06 -1.47 116.57 118.80 3cem h LYS 538 Ca 0.24 -0.13 -0.00 0.00 -0.85 0.00 0.00 60.65 59.91 3cem h LYS 538 Cb 0.36 -0.22 -0.02 0.00 -0.60 0.00 0.00 32.23 31.75 3cem h LYS 538 CO -0.41 0.82 -0.32 0.37 -3.45 0.00 0.00 179.45 176.46 3cem h GLN 539 N 1.11 -0.66 -0.49 1.90 5.75 -0.25 -0.16 115.11 122.32 3cem h GLN 539 Ca 0.28 0.04 0.10 0.00 -0.15 0.00 0.00 58.65 58.93 3cem h GLN 539 Cb 0.02 0.15 -0.09 0.00 1.07 0.00 0.00 27.48 28.63 3cem h GLN 539 CO -0.05 -0.44 -0.13 0.93 -2.65 0.00 0.00 178.83 176.50 3cem h GLU 540 N -0.68 -0.01 -0.88 1.69 3.07 -0.82 -0.75 114.58 116.20 3cem h GLU 540 Ca -0.02 0.00 0.12 0.00 -0.50 0.00 0.00 59.36 58.96 3cem h GLU 540 Cb 0.62 0.00 -0.08 0.00 -0.84 0.00 0.00 28.75 28.45 3cem h GLU 540 CO -0.05 -0.00 0.51 -0.91 -1.40 0.00 0.00 179.01 177.15 3cem h ASN 541 N -0.01 0.70 0.10 1.42 -0.26 -0.86 -0.76 115.58 115.91 3cem h ASN 541 Ca 0.23 0.06 -0.08 0.00 -0.56 0.00 0.00 56.30 55.96 3cem h ASN 541 Cb 0.36 -0.07 -0.01 0.00 -1.06 0.00 0.00 38.32 37.54 3cem h ASN 541 CO -0.51 0.36 -0.26 0.11 -1.06 0.00 0.00 177.43 176.08 3cem h LYS 542 N 0.79 0.27 0.00 0.81 1.57 -0.01 -0.17 116.57 119.84 3cem h LYS 542 Ca 0.45 -0.09 -0.00 0.00 -1.87 0.00 0.00 60.65 59.13 3cem h LYS 542 Cb 0.49 -0.02 0.00 0.00 0.08 0.00 0.00 32.23 32.78 3cem h LYS 542 CO -0.29 0.52 -0.00 -0.07 -0.57 0.00 0.00 179.45 179.04 3cem h LEU 543 N 0.25 -0.01 -0.61 2.94 4.07 -0.13 0.84 115.31 122.66 3cem h LEU 543 Ca 0.04 -0.73 0.09 0.00 0.08 0.00 0.00 57.88 57.36 3cem h LEU 543 Cb 0.59 0.00 -0.07 0.00 1.08 0.00 0.00 40.66 42.26 3cem h LEU 543 CO 0.04 0.73 0.23 0.50 -1.08 0.00 0.00 178.44 178.86 3cem h LYS 544 N -0.75 0.39 -0.54 1.13 3.64 -1.13 -1.72 116.57 117.59 3cem h LYS 544 Ca -0.00 -0.02 -0.10 0.00 -1.27 0.00 0.00 60.65 59.26 3cem h LYS 544 Cb 0.74 -0.09 -0.02 0.00 -0.41 0.00 0.00 32.23 32.45 3cem h LYS 544 CO 0.00 0.26 -0.05 0.35 -2.27 0.00 0.00 179.45 177.74 3cem h PHE 545 N 0.41 1.07 -0.64 1.91 3.57 -0.99 -2.95 116.94 119.30 3cem h PHE 545 Ca 0.31 -0.19 0.10 0.00 3.53 0.00 0.00 57.97 61.71 3cem h PHE 545 Cb 0.38 -0.27 -0.07 0.00 2.79 0.00 0.00 35.95 38.77 3cem h PHE 545 CO -0.17 0.98 0.26 0.77 -2.23 0.00 0.00 178.31 177.91 3cem h SER 546 N 0.88 0.27 -0.99 0.41 0.02 -0.31 -1.38 113.55 112.45 3cem h SER 546 Ca 0.15 0.08 0.07 0.00 -0.84 0.00 0.00 61.79 61.25 3cem h SER 546 Cb 0.59 0.05 -0.07 0.00 0.14 0.00 0.00 62.40 63.11 3cem h SER 546 CO 0.04 0.15 0.64 1.56 -1.14 0.00 0.00 176.83 178.08 3cem h GLN 547 N 0.44 1.12 -0.88 3.45 4.20 -1.16 0.21 115.11 122.48 3cem h GLN 547 Ca 0.33 -0.07 -0.01 0.00 0.06 0.00 0.00 58.65 58.96 3cem h GLN 547 Cb 0.41 -0.25 -0.04 0.00 0.30 0.00 0.00 27.48 27.89 3cem h GLN 547 CO -0.31 0.74 0.50 0.35 -0.67 0.00 0.00 178.83 179.45 3cem h PHE 548 N 1.16 1.19 0.00 2.96 3.57 -1.36 -1.15 116.94 123.31 3cem h PHE 548 Ca 0.43 -0.02 -0.12 0.00 3.53 0.00 0.00 57.97 61.79 3cem h PHE 548 Cb 0.18 -0.39 -0.02 0.00 2.79 0.00 0.00 35.95 38.52 3cem h PHE 548 CO -0.00 0.81 -0.56 -0.07 -2.23 0.00 0.00 178.31 176.26 3cem h LEU 549 N 1.23 0.00 0.17 0.59 3.38 0.09 -1.92 115.31 118.84 3cem h LEU 549 Ca 0.31 0.00 -0.31 0.00 0.09 0.00 0.00 57.88 57.97 3cem h LEU 549 Cb -0.00 0.00 0.01 0.00 0.09 0.00 0.00 40.66 40.76 3cem h LEU 549 CO -0.05 0.56 -1.44 -0.33 0.09 0.00 0.00 178.44 177.27 3cem h GLU 550 N 0.00 0.36 0.00 1.13 5.08 -0.90 -0.93 114.58 119.32 3cem h GLU 550 Ca -0.01 -0.61 -0.08 0.00 -1.00 0.00 0.00 59.36 57.66 3cem h GLU 550 Cb 1.15 0.23 -0.01 0.00 0.50 0.00 0.00 28.75 30.61 3cem h GLU 550 CO 0.07 1.27 -0.37 1.79 -1.00 0.00 0.00 179.01 180.78 3cem h THR 551 N 0.10 0.82 0.07 1.13 1.35 -1.21 -3.34 112.91 111.83 3cem h THR 551 Ca -0.22 -1.55 -0.35 0.00 -0.55 0.00 0.00 66.41 63.74 3cem h THR 551 Cb 2.06 1.97 -0.03 0.00 -1.73 0.00 0.00 68.15 70.42 3cem h THR 551 CO 0.21 0.36 -1.94 -0.62 -0.25 0.00 0.00 175.52 173.28 3cem n GLU 552 N -3.46 0.69 -4.44 4.72 -0.58 -0.73 -4.93 120.64 111.91 3cem n GLU 552 Ca 0.00 0.32 -0.32 0.00 -0.42 0.00 0.00 57.16 56.74 3cem n GLU 552 Cb 0.53 -1.68 -0.10 0.00 -0.57 0.00 0.00 31.44 29.62 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 -2.51 2.88 -0.69 -0.32 1.51 -0.36 -5.03 117.35 112.83 3cem s TYR 553 Ca -0.27 -0.04 -0.17 0.00 -1.01 0.00 0.00 57.07 55.58 3cem s TYR 553 Cb 0.07 -1.60 0.14 0.00 -0.11 0.00 0.00 41.96 40.46 3cem s TYR 553 CO 0.69 0.38 0.75 0.15 -1.11 0.00 0.00 175.55 176.41 3cem s LYS 554 N -1.48 3.25 -0.27 -0.62 1.02 -1.26 -4.29 119.74 116.10 3cem s LYS 554 Ca 0.17 -1.73 -0.10 0.00 0.02 0.00 0.00 55.97 54.34 3cem s LYS 554 Cb -0.11 -4.41 0.11 0.00 -0.52 0.00 0.00 37.83 32.90 3cem s LYS 554 CO 0.08 -1.48 0.59 0.08 -0.92 0.00 0.00 175.35 173.70 3cem s VAL 555 N 1.89 -0.78 -0.06 3.17 1.01 -1.26 -5.14 120.40 119.22 3cem s VAL 555 Ca 0.15 0.05 -0.30 0.00 0.00 0.00 0.00 61.98 61.88 3cem s VAL 555 Cb -0.19 -0.90 -0.03 0.00 0.00 0.00 0.00 36.38 35.26 3cem s VAL 555 CO -0.00 0.02 1.21 -0.75 0.00 0.00 0.00 175.10 175.58 3cem s LYS 556 N 2.65 4.34 -0.26 2.72 2.47 -1.26 -4.55 119.74 125.86 3cem s LYS 556 Ca -0.05 1.68 -0.10 0.00 -1.56 0.00 0.00 55.97 55.93 3cem s LYS 556 Cb -0.11 -3.58 -0.05 0.00 -1.46 0.00 0.00 37.83 32.63 3cem s LYS 556 CO -0.17 -0.48 0.16 0.42 0.16 0.00 0.00 175.35 175.44 3cem s ILE 557 N 2.35 5.23 -0.34 5.43 -1.09 -1.26 -4.97 121.20 126.55 3cem s ILE 557 Ca 0.56 0.14 -0.28 0.00 -2.23 0.00 0.00 60.65 58.84 3cem s ILE 557 Cb -0.25 -3.46 -0.02 0.00 -1.58 0.00 0.00 42.46 37.15 3cem s ILE 557 CO 0.21 0.31 1.82 0.21 -1.23 0.00 0.00 174.94 176.26 3cem s ASN 558 N 1.39 5.84 0.50 3.58 3.84 -1.26 -4.86 114.94 123.96 3cem s ASN 558 Ca 0.07 1.28 0.34 0.00 0.21 0.00 0.00 52.86 54.76 3cem s ASN 558 Cb -0.15 -2.53 1.66 0.00 -0.55 0.00 0.00 41.25 39.69 3cem s ASN 558 CO 0.07 -1.76 2.02 1.55 -2.79 0.00 0.00 177.10 176.20 3cem h PRO 559 N 13.09 0.00 -0.20 0.43 0.13 -1.98 -2.06 132.00 141.42 3cem h PRO 559 Ca -0.34 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.79 3cem h PRO 559 Cb 1.17 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.30 3cem h PRO 559 CO 1.04 0.00 0.00 -1.13 -0.23 0.00 0.00 178.00 177.68 3cem n SER 560 N -2.79 2.96 -4.77 1.44 3.41 -1.26 -4.95 113.62 107.65 3cem n SER 560 Ca -0.01 -1.88 -0.36 0.00 -0.26 0.00 0.00 58.87 56.36 3cem n SER 560 Cb 0.15 -0.12 -0.00 0.00 -0.26 0.00 0.00 64.21 63.98 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 -1.48 5.92 0.12 4.04 1.04 -0.78 -4.90 113.70 117.66 3cem s SER 561 Ca 0.29 2.24 -0.31 0.00 0.48 0.00 0.00 55.95 58.65 3cem s SER 561 Cb 0.18 -2.59 -0.10 0.00 0.10 0.00 0.00 66.02 63.61 3cem s SER 561 CO 0.26 -1.09 1.67 -0.32 0.98 0.00 0.00 173.24 174.75 3cem s MET 562 N -3.02 4.18 -0.43 4.02 -2.45 0.02 -4.71 119.30 116.91 3cem s MET 562 Ca 0.69 2.42 -0.22 0.00 -1.25 0.00 0.00 55.69 57.33 3cem s MET 562 Cb -0.26 -3.42 0.02 0.00 1.25 0.00 0.00 34.83 32.42 3cem s MET 562 CO 0.31 -0.72 0.71 -0.06 1.05 0.00 0.00 175.02 176.30 3cem s PHE 563 N 2.11 3.05 -0.35 4.11 0.40 -1.26 -0.78 117.98 125.25 3cem s PHE 563 Ca 0.74 0.13 -0.09 0.00 -0.60 0.00 0.00 56.93 57.12 3cem s PHE 563 Cb -0.43 -3.46 0.03 0.00 0.51 0.00 0.00 43.02 39.67 3cem s PHE 563 CO 0.33 -0.88 0.15 0.34 0.70 0.00 0.00 175.22 175.86 3cem s ASP 564 N 2.02 5.51 -0.12 1.36 2.15 0.11 -1.07 116.67 126.62 3cem s ASP 564 Ca 0.27 -1.05 0.01 0.00 0.43 0.00 0.00 52.55 52.20 3cem s ASP 564 Cb -0.13 -1.94 0.02 0.00 -0.30 0.00 0.00 42.92 40.56 3cem s ASP 564 CO 0.20 -0.35 -0.14 -0.69 -0.17 0.00 0.00 175.17 174.02 3cem s VAL 565 N 1.48 1.47 -0.29 1.11 1.01 0.24 0.21 120.40 125.63 3cem s VAL 565 Ca 0.00 -0.60 0.03 0.00 0.00 0.00 0.00 61.98 61.41 3cem s VAL 565 Cb -0.19 -1.37 0.07 0.00 0.00 0.00 0.00 36.38 34.89 3cem s VAL 565 CO 0.05 0.44 -0.04 -1.58 0.00 0.00 0.00 175.10 173.96 3cem s GLN 566 N 1.21 2.04 -0.09 2.72 0.74 0.13 -1.83 119.66 124.57 3cem s GLN 566 Ca -0.02 -1.51 -0.00 0.00 0.05 0.00 0.00 55.36 53.88 3cem s GLN 566 Cb -0.14 -3.03 0.02 0.00 1.10 0.00 0.00 33.01 30.96 3cem s GLN 566 CO -0.05 -0.70 -0.06 0.14 -0.55 0.00 0.00 175.29 174.07 3cem s VAL 567 N 1.06 0.81 0.00 1.34 -7.23 -1.26 -0.67 120.40 114.45 3cem s VAL 567 Ca -0.02 -0.19 0.00 0.00 -1.81 0.00 0.00 61.98 59.96 3cem s VAL 567 Cb -0.20 -0.85 0.00 0.00 0.56 0.00 0.00 36.38 35.89 3cem s VAL 567 CO -0.05 0.32 0.00 2.29 -0.31 0.00 0.00 175.10 177.35 3cem n LYS 568 N 4.71 0.00 -1.67 4.82 2.85 -0.96 -4.98 118.16 122.93 3cem n LYS 568 Ca -0.14 0.00 -0.39 0.00 -1.05 0.00 0.00 58.31 56.73 3cem n LYS 568 Cb 0.50 0.00 0.04 0.00 -0.65 0.00 0.00 35.03 34.92 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 1.38 -2.79 -1.58 5.12 -1.26 -3.85 116.66 113.54 3cem n ARG 569 Ca 0.00 0.51 -0.42 0.00 -1.93 0.00 0.00 57.85 56.01 3cem n ARG 569 Cb 0.00 -2.31 -0.03 0.00 -1.16 0.00 0.00 32.46 28.96 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 -1.35 4.78 -0.17 0.55 -1.09 -0.37 -4.86 121.20 118.70 3cem s ILE 570 Ca 0.70 1.79 -0.19 0.00 -2.23 0.00 0.00 60.65 60.72 3cem s ILE 570 Cb -0.46 -4.21 0.05 0.00 -1.58 0.00 0.00 42.46 36.27 3cem s ILE 570 CO 0.51 -0.09 0.51 -2.28 -1.23 0.00 0.00 174.94 172.36 3cem s HIS 571 N 2.78 -0.54 0.29 3.97 2.46 -1.26 -4.64 115.29 118.35 3cem s HIS 571 Ca 0.40 1.27 0.04 0.00 0.47 0.00 0.00 55.06 57.23 3cem s HIS 571 Cb -0.16 0.20 0.74 0.00 -0.13 0.00 0.00 32.58 33.24 3cem s HIS 571 CO 0.09 -0.31 1.69 0.93 -2.47 0.00 0.00 174.74 174.66 3cem h GLU 572 N 5.03 0.35 0.00 2.88 5.08 -1.96 0.71 114.58 126.66 3cem h GLU 572 Ca -0.28 -0.02 -0.04 0.00 -1.00 0.00 0.00 59.36 58.02 3cem h GLU 572 Cb 1.17 -0.08 -0.01 0.00 0.50 0.00 0.00 28.75 30.34 3cem h GLU 572 CO 0.22 0.23 -0.21 0.10 -1.00 0.00 0.00 179.01 178.35 3cem h TYR 573 N 0.36 0.00 0.00 4.33 -0.00 -1.97 -1.11 116.97 118.59 3cem h TYR 573 Ca 0.57 0.00 0.00 0.00 0.00 0.00 0.00 58.73 59.30 3cem h TYR 573 Cb 1.10 0.00 0.00 0.00 0.00 0.00 0.00 36.73 37.83 3cem h TYR 573 CO -0.15 0.21 0.00 0.87 -0.00 0.00 0.00 178.16 179.09 3cem h LYS 574 N 0.00 0.00 -5.97 0.10 1.57 -1.22 -2.84 116.57 108.21 3cem h LYS 574 Ca -0.00 0.00 -0.41 0.00 -1.87 0.00 0.00 60.65 58.37 3cem h LYS 574 Cb 0.48 0.00 0.08 0.00 0.08 0.00 0.00 32.23 32.87 3cem h LYS 574 CO 0.03 0.00 -0.75 0.54 -0.57 0.00 0.00 179.45 178.70 3cem n ARG 575 N -2.73 -6.49 -0.22 3.15 1.74 -0.42 -3.78 116.66 107.91 3cem n ARG 575 Ca 0.04 0.73 0.31 0.00 -0.77 0.00 0.00 57.85 58.17 3cem n ARG 575 Cb 0.43 -5.65 0.72 0.00 -1.02 0.00 0.00 32.46 26.95 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 -2.22 0.00 -0.32 5.56 7.50 -1.85 -2.34 115.11 121.44 3cem h GLN 576 Ca -0.58 0.00 -0.00 0.00 0.50 0.00 0.00 58.65 58.56 3cem h GLN 576 Cb 1.36 0.00 -0.02 0.00 0.05 0.00 0.00 27.48 28.88 3cem h GLN 576 CO 0.58 0.00 0.19 -0.07 -1.50 0.00 0.00 178.83 178.03 3cem h LEU 577 N 0.00 0.39 -0.48 1.46 3.38 -1.91 -2.00 115.31 116.16 3cem h LEU 577 Ca 0.48 -0.06 0.06 0.00 0.09 0.00 0.00 57.88 58.45 3cem h LEU 577 Cb 2.05 -0.10 -0.05 0.00 0.09 0.00 0.00 40.66 42.65 3cem h LEU 577 CO -0.01 0.33 0.18 0.25 0.09 0.00 0.00 178.44 179.29 3cem h LEU 578 N 0.41 0.20 -0.80 1.67 5.85 -1.80 -0.04 115.31 120.81 3cem h LEU 578 Ca 0.11 0.05 0.07 0.00 0.84 0.00 0.00 57.88 58.96 3cem h LEU 578 Cb 0.02 0.03 -0.06 0.00 0.37 0.00 0.00 40.66 41.01 3cem h LEU 578 CO -0.02 0.15 0.47 -1.13 -0.34 0.00 0.00 178.44 177.57 3cem h ASN 579 N 0.36 0.71 -0.20 1.25 -0.00 -1.37 -2.06 115.58 114.27 3cem h ASN 579 Ca 0.22 0.03 -0.11 0.00 -0.00 0.00 0.00 56.30 56.44 3cem h ASN 579 Cb 0.22 -0.11 -0.01 0.00 -0.00 0.00 0.00 38.32 38.41 3cem h ASN 579 CO -0.22 0.44 -0.26 0.00 -0.00 0.00 0.00 177.43 177.39 3cem h LEU 581 N 0.58 0.64 -1.40 0.00 3.38 -0.35 -2.26 115.31 115.89 3cem h LEU 581 Ca 0.08 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 58.03 3cem h LEU 581 Cb 0.75 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 41.35 3cem h LEU 581 CO 0.06 0.44 0.15 -0.74 0.09 0.00 0.00 178.44 178.44 3cem h HIS 582 N 0.77 0.55 -0.07 1.13 2.76 -0.87 -1.68 115.15 117.73 3cem h HIS 582 Ca 0.26 -0.02 -0.01 0.00 -2.20 0.00 0.00 60.37 58.40 3cem h HIS 582 Cb 0.03 -0.17 -0.00 0.00 1.55 0.00 0.00 27.41 28.81 3cem h HIS 582 CO -0.05 0.44 0.01 0.28 -1.30 0.00 0.00 177.93 177.30 3cem h VAL 583 N 0.56 1.23 -0.55 5.26 2.07 -1.00 -0.54 116.25 123.28 3cem h VAL 583 Ca 0.14 -0.72 -0.01 0.00 0.82 0.00 0.00 66.70 66.93 3cem h VAL 583 Cb 0.12 1.59 -0.03 0.00 -1.52 0.00 0.00 31.29 31.45 3cem h VAL 583 CO -0.01 0.20 0.29 0.40 0.02 0.00 0.00 177.57 178.47 3cem h ILE 584 N -0.15 1.19 -0.28 4.57 2.04 -1.30 -1.17 117.51 122.42 3cem h ILE 584 Ca 0.02 -0.48 0.05 0.00 1.00 0.00 0.00 64.86 65.45 3cem h ILE 584 Cb 0.31 0.51 -0.08 0.00 -0.74 0.00 0.00 36.82 36.82 3cem h ILE 584 CO 0.00 0.20 -0.44 0.74 0.00 0.00 0.00 178.15 178.65 3cem h THR 585 N 0.74 0.11 -0.87 -0.27 2.02 -1.25 -0.41 112.91 112.98 3cem h THR 585 Ca 0.19 0.00 0.15 0.00 0.77 0.00 0.00 66.41 67.52 3cem h THR 585 Cb 0.06 0.11 -0.10 0.00 -1.74 0.00 0.00 68.15 66.48 3cem h THR 585 CO -0.03 0.00 0.45 0.24 0.37 0.00 0.00 175.52 176.55 3cem h MET 586 N -0.42 0.62 -0.09 6.66 2.86 -0.73 -1.35 114.93 122.49 3cem h MET 586 Ca 0.10 -0.04 0.00 0.00 -2.06 0.00 0.00 59.70 57.71 3cem h MET 586 Cb 0.61 -0.14 -0.01 0.00 0.06 0.00 0.00 31.60 32.12 3cem h MET 586 CO -0.50 0.41 0.04 -0.92 1.06 0.00 0.00 176.91 177.00 3cem h TYR 587 N 0.64 0.08 0.16 -0.22 3.20 -0.48 -2.12 116.97 118.23 3cem h TYR 587 Ca 0.48 0.00 -0.01 0.00 3.14 0.00 0.00 58.73 62.34 3cem h TYR 587 Cb 0.68 -0.02 -0.00 0.00 1.54 0.00 0.00 36.73 38.92 3cem h TYR 587 CO -0.08 0.05 -0.09 -0.91 -1.64 0.00 0.00 178.16 175.48 3cem h ASN 588 N 0.09 -0.23 -0.84 -2.11 2.35 -0.59 0.04 115.58 114.29 3cem h ASN 588 Ca 0.03 0.01 0.20 0.00 -0.55 0.00 0.00 56.30 56.00 3cem h ASN 588 Cb 0.00 0.07 -0.12 0.00 0.05 0.00 0.00 38.32 38.32 3cem h ASN 588 CO -0.02 -0.16 0.29 0.03 -1.65 0.00 0.00 177.43 175.92 3cem h ARG 589 N -0.25 0.31 -0.03 0.81 3.08 -1.23 -0.15 114.38 116.93 3cem h ARG 589 Ca -0.02 -0.02 -0.00 0.00 0.07 0.00 0.00 59.98 60.01 3cem h ARG 589 Cb 0.20 -0.07 -0.00 0.00 0.08 0.00 0.00 29.97 30.18 3cem h ARG 589 CO 0.02 0.21 0.01 0.82 -1.07 0.00 0.00 179.97 179.96 3cem h ILE 590 N 0.32 1.13 -0.01 2.04 2.04 -1.02 -3.23 117.51 118.78 3cem h ILE 590 Ca 0.51 -0.37 0.03 0.00 1.00 0.00 0.00 64.86 66.03 3cem h ILE 590 Cb 0.96 1.33 -0.05 0.00 -0.74 0.00 0.00 36.82 38.32 3cem h ILE 590 CO -0.55 0.10 -0.26 0.11 0.00 0.00 0.00 178.15 177.55 3cem h LYS 591 N -0.11 -0.38 0.00 2.37 1.79 0.67 -2.06 116.57 118.85 3cem h LYS 591 Ca 0.01 0.03 0.00 0.00 -2.18 0.00 0.00 60.65 58.51 3cem h LYS 591 Cb 0.15 0.09 0.00 0.00 -1.58 0.00 0.00 32.23 30.89 3cem h LYS 591 CO -0.00 -0.25 0.00 1.17 -1.08 0.00 0.00 179.45 179.28 3cem n LYS 592 N -5.38 0.02 0.00 3.15 0.00 -0.24 -4.18 118.16 111.53 3cem n LYS 592 Ca -0.05 0.00 0.00 0.00 0.00 0.00 0.00 58.31 58.26 3cem n LYS 592 Cb 0.29 -1.30 0.00 0.00 0.00 0.00 0.00 35.03 34.02 3cem n LYS 592 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.40 173.93 3cem n ASP 593 N -0.80 0.00 0.00 3.14 -0.08 -0.90 -5.02 116.55 112.89 3cem n ASP 593 Ca 0.00 0.00 0.02 0.00 -1.51 0.00 0.00 54.79 53.31 3cem n ASP 593 Cb 0.00 0.00 0.15 0.00 2.34 0.00 0.00 41.12 43.61 3cem n ASP 593 CO 0.00 0.00 0.00 -0.81 0.12 0.00 0.00 177.20 176.51 3cem n PRO 594 N 0.00 0.22 -0.02 -0.67 -0.04 -0.82 -1.03 135.00 132.63 3cem n PRO 594 Ca 0.00 0.00 0.02 0.00 -0.04 0.00 0.00 63.50 63.48 3cem n PRO 594 Cb 0.00 -1.35 -0.10 0.00 -0.04 0.00 0.00 33.50 32.01 3cem n PRO 594 CO 0.00 0.00 0.00 1.17 -0.04 0.00 0.00 175.50 176.63 3cem n LYS 595 N -0.85 0.93 -2.14 0.54 4.81 -1.26 -4.98 118.16 115.20 3cem n LYS 595 Ca 0.04 -0.08 -0.40 0.00 -0.87 0.00 0.00 58.31 57.00 3cem n LYS 595 Cb 0.02 -1.30 -0.01 0.00 0.02 0.00 0.00 35.03 33.75 3cem n LYS 595 CO 0.00 0.00 0.00 0.21 1.17 0.00 0.00 177.40 178.78 3cem s LYS 596 N -2.69 4.14 0.13 1.64 2.20 -0.20 -4.95 119.74 120.01 3cem s LYS 596 Ca -0.05 2.10 -0.30 0.00 -0.36 0.00 0.00 55.97 57.35 3cem s LYS 596 Cb 0.07 -2.86 -0.07 0.00 -1.51 0.00 0.00 37.83 33.46 3cem s LYS 596 CO 0.51 -0.33 1.11 -0.48 -0.36 0.00 0.00 175.35 175.81 3cem s LEU 597 N -2.20 4.45 -0.10 5.43 0.05 -1.26 -5.01 118.68 120.04 3cem s LEU 597 Ca 0.54 2.03 0.01 0.00 0.05 0.00 0.00 54.13 56.76 3cem s LEU 597 Cb -0.37 -3.59 0.02 0.00 -2.05 0.00 0.00 46.19 40.20 3cem s LEU 597 CO 0.48 -0.28 -0.10 0.12 -0.55 0.00 0.00 176.35 176.01 3cem s PHE 598 N 0.19 1.61 -0.30 3.48 2.19 -1.26 -5.09 117.98 118.80 3cem s PHE 598 Ca 0.52 -0.76 -0.29 0.00 0.33 0.00 0.00 56.93 56.73 3cem s PHE 598 Cb -0.29 -1.25 -0.01 0.00 -1.31 0.00 0.00 43.02 40.16 3cem s PHE 598 CO 0.33 -0.46 1.54 0.08 1.83 0.00 0.00 175.22 178.53 3cem s VAL 599 N 1.32 3.80 0.32 3.12 1.01 -1.26 -4.96 120.40 123.75 3cem s VAL 599 Ca -0.02 0.87 -0.29 0.00 0.00 0.00 0.00 61.98 62.54 3cem s VAL 599 Cb -0.14 -3.90 -0.10 0.00 0.00 0.00 0.00 36.38 32.24 3cem s VAL 599 CO -0.05 -0.45 1.31 -2.16 0.00 0.00 0.00 175.10 173.75 3cem s PRO 600 N 4.79 4.35 0.03 2.72 0.04 -1.26 -4.93 135.00 140.75 3cem s PRO 600 Ca 0.67 2.21 0.06 0.00 0.04 0.00 0.00 61.00 63.99 3cem s PRO 600 Cb -0.20 -3.08 -0.02 0.00 0.04 0.00 0.00 34.50 31.24 3cem s PRO 600 CO 0.29 -0.20 -0.19 1.03 0.04 0.00 0.00 177.00 177.98 3cem s ARG 601 N -1.69 1.28 -0.37 4.56 0.52 -0.66 -0.80 118.95 121.79 3cem s ARG 601 Ca 0.50 -0.85 -0.13 0.00 -0.52 0.00 0.00 55.73 54.73 3cem s ARG 601 Cb -0.40 -1.35 0.01 0.00 0.52 0.00 0.00 34.95 33.73 3cem s ARG 601 CO 0.52 0.35 0.24 0.99 0.02 0.00 0.00 175.30 177.42 3cem s THR 602 N -0.76 4.96 -0.32 0.02 2.01 0.04 -1.96 115.64 119.64 3cem s THR 602 Ca 0.06 -0.59 -0.16 0.00 0.31 0.00 0.00 61.69 61.31 3cem s THR 602 Cb -0.08 -3.68 -0.02 0.00 0.01 0.00 0.00 72.50 68.73 3cem s THR 602 CO 0.01 -0.17 0.44 -0.69 -0.69 0.00 0.00 174.62 173.52 3cem s VAL 603 N 1.64 5.10 -0.23 3.82 1.01 0.34 -0.72 120.40 131.36 3cem s VAL 603 Ca 0.04 0.38 -0.06 0.00 0.00 0.00 0.00 61.98 62.35 3cem s VAL 603 Cb -0.18 -3.84 -0.02 0.00 0.00 0.00 0.00 36.38 32.33 3cem s VAL 603 CO 0.09 -0.06 0.02 -0.63 0.00 0.00 0.00 175.10 174.52 3cem s ILE 604 N 2.21 3.94 -0.07 2.22 1.01 0.13 -1.31 121.20 129.33 3cem s ILE 604 Ca 0.16 -0.30 0.05 0.00 0.00 0.00 0.00 60.65 60.56 3cem s ILE 604 Cb -0.16 -2.82 -0.01 0.00 0.01 0.00 0.00 42.46 39.49 3cem s ILE 604 CO 0.12 0.38 -0.24 -0.63 0.00 0.00 0.00 174.94 174.57 3cem s ILE 605 N 1.46 1.98 0.04 2.92 1.01 -0.48 0.17 121.20 128.31 3cem s ILE 605 Ca 0.05 -1.01 -0.11 0.00 0.00 0.00 0.00 60.65 59.58 3cem s ILE 605 Cb -0.15 -1.69 0.01 0.00 0.01 0.00 0.00 42.46 40.64 3cem s ILE 605 CO 0.01 0.55 0.23 -0.83 0.00 0.00 0.00 174.94 174.90 3cem s GLY 606 N -0.00 -0.01 0.00 6.18 0.00 0.15 -0.55 107.32 113.09 3cem s GLY 606 Ca -0.08 -0.21 0.00 0.00 0.00 0.00 0.00 44.72 44.44 3cem s GLY 606 CO 0.05 -0.40 0.00 0.61 0.00 0.00 0.00 173.10 173.36 3cem n GLY 607 N 0.63 3.82 3.80 0.20 0.00 -1.25 -2.27 105.19 110.12 3cem n GLY 607 Ca -0.19 -1.16 -0.33 0.00 0.00 0.00 0.00 46.02 44.35 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 -2.54 3.13 -0.11 1.61 1.02 -1.26 -4.69 119.74 116.90 3cem s LYS 608 Ca 0.00 -0.46 -0.04 0.00 0.02 0.00 0.00 55.97 55.50 3cem s LYS 608 Cb 0.00 -2.90 -0.04 0.00 -0.52 0.00 0.00 37.83 34.37 3cem s LYS 608 CO 0.00 0.65 0.04 0.00 -0.92 0.00 0.00 175.35 175.12 3cem s ALA 609 N -1.22 3.42 0.30 5.17 0.00 -1.26 -1.23 121.76 126.94 3cem s ALA 609 Ca 0.24 -0.76 -0.29 0.00 0.00 0.00 0.00 51.96 51.14 3cem s ALA 609 Cb -0.12 -1.64 -0.13 0.00 0.00 0.00 0.00 23.12 21.23 3cem s ALA 609 CO 0.15 0.53 1.28 0.00 0.00 0.00 0.00 175.76 177.72 3cem n ALA 610 N 2.33 1.00 -0.05 0.00 0.00 -1.26 -4.86 120.51 117.67 3cem n ALA 610 Ca -0.19 0.38 0.12 0.00 0.00 0.00 0.00 53.44 53.75 3cem n ALA 610 Cb 0.54 -2.22 0.52 0.00 0.00 0.00 0.00 19.45 18.29 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 2.97 0.34 -0.37 0.00 0.11 -1.98 -1.88 132.00 131.18 3cem h PRO 611 Ca -0.45 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.64 3cem h PRO 611 Cb 1.29 -0.08 0.00 0.00 0.11 0.00 0.00 31.00 32.32 3cem h PRO 611 CO 0.66 0.23 0.00 0.41 -0.21 0.00 0.00 178.00 179.09 3cem n GLY 612 N -1.53 3.65 3.42 -0.55 0.00 -1.26 -4.81 105.19 104.10 3cem n GLY 612 Ca 0.08 -0.99 -0.44 0.00 0.00 0.00 0.00 46.02 44.67 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 -2.74 3.18 0.09 1.61 6.14 -0.71 -4.92 117.35 119.99 3cem s TYR 613 Ca 0.46 -1.37 -0.25 0.00 0.64 0.00 0.00 57.07 56.55 3cem s TYR 613 Cb 0.36 -4.17 -0.15 0.00 0.42 0.00 0.00 41.96 38.42 3cem s TYR 613 CO 0.12 -1.40 1.71 1.25 0.64 0.00 0.00 175.55 177.87 3cem h HIS 614 N 8.76 -0.21 -0.39 4.97 -0.00 -1.87 -2.21 115.15 124.20 3cem h HIS 614 Ca 0.06 -0.00 0.06 0.00 -0.00 0.00 0.00 60.37 60.49 3cem h HIS 614 Cb 1.04 0.08 -0.05 0.00 -0.00 0.00 0.00 27.41 28.47 3cem h HIS 614 CO 1.09 -0.13 0.06 1.98 -0.00 0.00 0.00 177.93 180.93 3cem h MET 615 N -0.21 0.18 -0.53 5.26 -1.53 -1.98 0.33 114.93 116.45 3cem h MET 615 Ca -0.01 -0.01 0.10 0.00 -3.44 0.00 0.00 59.70 56.34 3cem h MET 615 Cb 0.18 -0.04 -0.09 0.00 -0.55 0.00 0.00 31.60 31.10 3cem h MET 615 CO 0.01 0.12 0.01 0.00 0.14 0.00 0.00 176.91 177.18 3cem h ALA 616 N 1.30 0.51 -0.71 0.39 0.00 -1.87 0.34 119.26 119.23 3cem h ALA 616 Ca 0.19 0.16 0.01 0.00 0.00 0.00 0.00 54.91 55.26 3cem h ALA 616 Cb 0.23 0.27 -0.03 0.00 0.00 0.00 0.00 17.79 18.26 3cem h ALA 616 CO -0.26 -0.38 0.46 0.87 0.00 0.00 0.00 179.25 179.94 3cem h LYS 617 N 0.12 0.94 -0.89 0.00 1.57 -0.71 -1.60 116.57 116.01 3cem h LYS 617 Ca 0.27 -0.06 -0.02 0.00 -1.87 0.00 0.00 60.65 58.97 3cem h LYS 617 Cb 0.41 -0.21 -0.04 0.00 0.08 0.00 0.00 32.23 32.47 3cem h LYS 617 CO -0.44 0.63 0.48 0.52 -0.57 0.00 0.00 179.45 180.06 3cem h MET 618 N 0.96 1.24 -0.52 3.15 2.86 0.28 -2.07 114.93 120.82 3cem h MET 618 Ca 0.26 -0.15 -0.04 0.00 -2.06 0.00 0.00 59.70 57.70 3cem h MET 618 Cb -0.10 -0.24 -0.02 0.00 0.06 0.00 0.00 31.60 31.30 3cem h MET 618 CO -0.05 0.91 0.15 0.82 1.06 0.00 0.00 176.91 179.80 3cem h ILE 619 N 1.24 1.24 0.04 -1.22 2.04 -0.52 0.16 117.51 120.48 3cem h ILE 619 Ca 0.31 -0.81 0.03 0.00 1.00 0.00 0.00 64.86 65.39 3cem h ILE 619 Cb 0.04 0.77 -0.04 0.00 -0.74 0.00 0.00 36.82 36.85 3cem h ILE 619 CO -0.05 0.30 -0.25 0.40 0.00 0.00 0.00 178.15 178.55 3cem h ILE 620 N 0.72 0.43 -0.94 -0.67 2.04 -0.85 -0.58 117.51 117.65 3cem h ILE 620 Ca 0.17 0.00 0.08 0.00 1.00 0.00 0.00 64.86 66.11 3cem h ILE 620 Cb 0.30 0.43 -0.07 0.00 -0.74 0.00 0.00 36.82 36.74 3cem h ILE 620 CO -0.00 0.00 0.59 0.50 0.00 0.00 0.00 178.15 179.24 3cem h LYS 621 N -0.41 0.99 0.34 2.37 1.63 -0.85 -0.43 116.57 120.21 3cem h LYS 621 Ca 0.05 -0.06 -0.00 0.00 -0.85 0.00 0.00 60.65 59.79 3cem h LYS 621 Cb 0.48 -0.22 -0.03 0.00 -0.60 0.00 0.00 32.23 31.86 3cem h LYS 621 CO -0.20 0.66 -0.37 1.25 -3.45 0.00 0.00 179.45 177.34 3cem h LEU 622 N 1.02 -1.02 -0.30 5.20 6.46 -0.26 -1.07 115.31 125.35 3cem h LEU 622 Ca 0.43 0.09 0.07 0.00 -0.12 0.00 0.00 57.88 58.35 3cem h LEU 622 Cb 0.28 0.35 -0.07 0.00 -0.73 0.00 0.00 40.66 40.49 3cem h LEU 622 CO -0.21 -0.51 -0.21 0.40 -0.62 0.00 0.00 178.44 177.29 3cem h ILE 623 N -0.74 0.43 0.00 4.05 2.04 0.45 0.45 117.51 124.19 3cem h ILE 623 Ca -0.02 0.00 -0.03 0.00 1.00 0.00 0.00 64.86 65.81 3cem h ILE 623 Cb 0.68 0.43 -0.00 0.00 -0.74 0.00 0.00 36.82 37.18 3cem h ILE 623 CO -0.08 0.00 -0.14 0.71 0.00 0.00 0.00 178.15 178.64 3cem h THR 624 N -0.19 1.09 0.03 -0.27 1.35 -1.21 -1.46 112.91 112.25 3cem h THR 624 Ca 0.16 -0.48 -0.00 0.00 -0.55 0.00 0.00 66.41 65.54 3cem h THR 624 Cb 0.43 1.26 0.00 0.00 -1.73 0.00 0.00 68.15 68.11 3cem h THR 624 CO -0.41 0.14 -0.01 0.28 -0.25 0.00 0.00 175.52 175.26 3cem h SER 625 N 0.00 -0.03 -0.77 5.36 0.02 0.40 -2.24 113.55 116.28 3cem h SER 625 Ca -0.00 -0.34 0.10 0.00 -0.84 0.00 0.00 61.79 60.72 3cem h SER 625 Cb 0.25 0.01 -0.08 0.00 0.14 0.00 0.00 62.40 62.72 3cem h SER 625 CO 0.02 0.32 0.40 0.58 -1.14 0.00 0.00 176.83 177.01 3cem h VAL 626 N -0.39 0.85 -0.30 2.27 2.07 -1.03 -2.62 116.25 117.09 3cem h VAL 626 Ca -0.00 -0.23 -0.01 0.00 0.82 0.00 0.00 66.70 67.28 3cem h VAL 626 Cb 0.37 0.12 -0.01 0.00 -1.52 0.00 0.00 31.29 30.24 3cem h VAL 626 CO 0.01 0.12 0.16 0.00 0.02 0.00 0.00 177.57 177.88 3cem h ALA 627 N 1.46 0.39 -0.63 1.67 0.00 -1.14 0.31 119.26 121.32 3cem h ALA 627 Ca 0.38 -0.08 0.13 0.00 0.00 0.00 0.00 54.91 55.35 3cem h ALA 627 Cb 0.41 -0.12 -0.11 0.00 0.00 0.00 0.00 17.79 17.98 3cem h ALA 627 CO -0.28 -0.07 0.02 -0.44 0.00 0.00 0.00 179.25 178.47 3cem h ASP 628 N 0.37 -0.25 0.78 0.00 3.32 -1.07 0.34 116.42 119.92 3cem h ASP 628 Ca 0.11 0.15 -0.04 0.00 0.02 0.00 0.00 57.03 57.27 3cem h ASP 628 Cb 0.07 0.27 0.01 0.00 0.22 0.00 0.00 39.33 39.90 3cem h ASP 628 CO -0.02 -0.11 -0.38 0.58 -1.72 0.00 0.00 179.24 177.60 3cem h VAL 629 N 0.13 0.01 0.10 -1.35 2.07 -1.14 -3.18 116.25 112.89 3cem h VAL 629 Ca 0.33 -0.23 0.02 0.00 0.82 0.00 0.00 66.70 67.64 3cem h VAL 629 Cb 0.54 0.01 -0.03 0.00 -1.52 0.00 0.00 31.29 30.29 3cem h VAL 629 CO -0.53 0.00 -0.24 0.58 0.02 0.00 0.00 177.57 177.40 3cem h VAL 630 N -1.28 0.47 0.00 2.57 2.07 -0.63 -0.89 116.25 118.56 3cem h VAL 630 Ca -0.11 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.41 3cem h VAL 630 Cb 0.81 0.47 0.00 0.00 -1.52 0.00 0.00 31.29 31.05 3cem h VAL 630 CO 0.18 0.00 0.00 0.78 0.02 0.00 0.00 177.57 178.55 3cem h ASN 631 N -0.43 0.00 -0.00 0.57 2.35 -0.47 -2.73 115.58 114.87 3cem h ASN 631 Ca 0.03 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.78 3cem h ASN 631 Cb 0.46 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.83 3cem h ASN 631 CO -0.14 0.00 -0.37 0.59 -1.65 0.00 0.00 177.43 175.86 3cem n ASN 632 N -2.81 0.77 -4.67 5.81 3.02 -0.95 -4.92 115.26 111.51 3cem n ASN 632 Ca -0.02 -0.89 -0.42 0.00 -0.03 0.00 0.00 54.58 53.22 3cem n ASN 632 Cb 0.09 0.79 -0.03 0.00 -0.61 0.00 0.00 39.78 40.02 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 -1.73 6.71 0.45 6.41 3.68 -0.38 -4.88 116.67 126.93 3cem s ASP 633 Ca 0.06 2.24 0.29 0.00 2.13 0.00 0.00 52.55 57.27 3cem s ASP 633 Cb 0.08 -2.55 1.04 0.00 -1.45 0.00 0.00 42.92 40.04 3cem s ASP 633 CO 0.35 -0.86 1.84 -0.65 0.13 0.00 0.00 175.17 175.99 3cem h PRO 634 N 8.73 0.00 0.00 4.34 0.11 -1.91 -2.48 132.00 140.79 3cem h PRO 634 Ca -0.39 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.72 3cem h PRO 634 Cb 1.18 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.29 3cem h PRO 634 CO 0.94 0.00 0.00 1.98 -0.21 0.00 0.00 178.00 180.71 3cem h MET 635 N 0.00 0.00 0.00 1.05 4.05 -1.97 -3.32 114.93 114.75 3cem h MET 635 Ca 0.00 0.00 -0.24 0.00 -0.28 0.00 0.00 59.70 59.18 3cem h MET 635 Cb 0.61 0.00 -0.04 0.00 -0.80 0.00 0.00 31.60 31.37 3cem h MET 635 CO 0.00 0.00 -1.34 0.28 0.23 0.00 0.00 176.91 176.08 3cem n VAL 636 N -2.92 1.53 -0.39 -5.77 0.31 -0.96 -4.97 118.33 105.16 3cem n VAL 636 Ca 0.02 -0.04 0.00 0.00 -0.01 0.00 0.00 64.34 64.31 3cem n VAL 636 Cb 0.37 -2.05 0.00 0.00 -0.91 0.00 0.00 33.84 31.25 3cem n VAL 636 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3cem n GLY 637 N 1.43 2.62 0.22 2.92 0.00 -1.08 -2.14 105.19 109.16 3cem n GLY 637 Ca -0.33 -0.09 0.00 0.00 0.00 0.00 0.00 46.02 45.60 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 1.45 0.44 -0.06 1.61 3.41 -1.26 -3.26 113.62 115.94 3cem n SER 638 Ca 0.00 -1.99 -0.10 0.00 -0.26 0.00 0.00 58.87 56.52 3cem n SER 638 Cb 0.00 -0.22 0.05 0.00 -0.26 0.00 0.00 64.21 63.77 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 0.75 -2.21 4.33 1.57 -1.79 -3.45 116.57 115.76 3cem h LYS 639 Ca 0.00 -0.38 -0.11 0.00 -1.87 0.00 0.00 60.65 58.29 3cem h LYS 639 Cb 0.22 0.01 -0.28 0.00 0.08 0.00 0.00 32.23 32.26 3cem h LYS 639 CO 0.00 1.00 -0.41 -1.17 -0.57 0.00 0.00 179.45 178.31 3cem s LEU 640 N -8.71 -0.67 -0.02 2.94 2.96 -1.20 -1.65 118.68 112.33 3cem s LEU 640 Ca -0.09 0.69 0.08 0.00 -0.22 0.00 0.00 54.13 54.59 3cem s LEU 640 Cb 0.12 1.30 -0.02 0.00 0.50 0.00 0.00 46.19 48.08 3cem s LEU 640 CO 0.85 -0.26 -0.24 -0.54 -1.32 0.00 0.00 176.35 174.84 3cem s LYS 641 N 2.60 2.13 -0.13 1.98 -0.14 -0.83 -4.60 119.74 120.75 3cem s LYS 641 Ca 0.05 -0.92 0.03 0.00 -1.36 0.00 0.00 55.97 53.77 3cem s LYS 641 Cb -0.13 -2.08 0.01 0.00 -1.68 0.00 0.00 37.83 33.94 3cem s LYS 641 CO -0.14 0.56 -0.22 0.08 -0.76 0.00 0.00 175.35 174.88 3cem s VAL 642 N -0.65 2.00 -0.13 3.17 1.01 -1.26 -0.51 120.40 124.04 3cem s VAL 642 Ca 0.10 -0.95 0.02 0.00 0.00 0.00 0.00 61.98 61.16 3cem s VAL 642 Cb -0.10 -1.77 0.01 0.00 0.00 0.00 0.00 36.38 34.52 3cem s VAL 642 CO -0.00 0.54 -0.19 -0.63 0.00 0.00 0.00 175.10 174.81 3cem s ILE 643 N 0.78 1.83 -0.54 2.22 -1.09 -0.43 -4.83 121.20 119.14 3cem s ILE 643 Ca -0.08 -0.84 -0.25 0.00 -2.23 0.00 0.00 60.65 57.25 3cem s ILE 643 Cb -0.16 -1.63 0.04 0.00 -1.58 0.00 0.00 42.46 39.13 3cem s ILE 643 CO -0.01 0.50 0.99 0.12 -1.23 0.00 0.00 174.94 175.32 3cem s PHE 644 N 0.90 2.78 -0.53 3.97 5.36 -1.26 -1.39 117.98 127.81 3cem s PHE 644 Ca -0.07 0.15 -0.28 0.00 -0.96 0.00 0.00 56.93 55.77 3cem s PHE 644 Cb -0.15 -4.15 0.02 0.00 -0.34 0.00 0.00 43.02 38.40 3cem s PHE 644 CO -0.02 -1.36 1.30 -1.17 -1.46 0.00 0.00 175.22 172.52 3cem s LEU 645 N 4.13 3.48 0.40 6.12 0.20 0.29 -4.99 118.68 128.31 3cem s LEU 645 Ca 0.34 0.33 -0.22 0.00 0.69 0.00 0.00 54.13 55.27 3cem s LEU 645 Cb -0.11 -3.24 -0.11 0.00 -0.43 0.00 0.00 46.19 42.31 3cem s LEU 645 CO 0.22 -1.53 0.96 -1.61 -0.29 0.00 0.00 176.35 174.09 3cem s GLU 646 N 5.09 4.30 -1.02 1.98 2.02 -1.26 -3.99 118.70 125.82 3cem s GLU 646 Ca 0.50 1.19 -0.06 0.00 0.02 0.00 0.00 54.97 56.62 3cem s GLU 646 Cb -0.10 -2.34 0.01 0.00 0.10 0.00 0.00 34.13 31.80 3cem s GLU 646 CO 0.27 0.03 0.89 -1.71 0.02 0.00 0.00 175.26 174.76 3cem n ASN 647 N -0.34 -5.13 -4.68 -0.19 5.15 -1.24 -4.90 115.26 103.92 3cem n ASN 647 Ca 0.06 -0.41 -0.44 0.00 -0.60 0.00 0.00 54.58 53.18 3cem n ASN 647 Cb 0.53 -3.94 -0.04 0.00 -0.53 0.00 0.00 39.78 35.81 3cem n ASN 647 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 3cem n TYR 648 N -4.34 2.48 -3.73 1.20 9.36 -1.26 -4.86 117.16 116.01 3cem n TYR 648 Ca -0.01 0.01 -0.09 0.00 3.32 0.00 0.00 57.90 61.14 3cem n TYR 648 Cb 0.55 -2.66 0.01 0.00 -0.63 0.00 0.00 39.34 36.61 3cem n TYR 648 CO 0.00 0.00 0.00 2.89 0.22 0.00 0.00 176.86 179.97 3cem n ARG 649 N 5.04 0.85 -0.02 2.98 1.85 -1.26 -4.77 116.66 121.32 3cem n ARG 649 Ca 0.18 -1.96 -0.12 0.00 -1.00 0.00 0.00 57.85 54.96 3cem n ARG 649 Cb 0.33 2.28 -0.07 0.00 -1.05 0.00 0.00 32.46 33.95 3cem n ARG 649 CO 0.00 0.00 0.00 0.28 -0.01 0.00 0.00 177.63 177.90 3cem h VAL 650 N 1.82 1.23 0.00 8.89 2.07 -1.94 0.24 116.25 128.56 3cem h VAL 650 Ca -0.26 -0.72 -0.03 0.00 0.82 0.00 0.00 66.70 66.51 3cem h VAL 650 Cb 1.01 1.54 -0.00 0.00 -1.52 0.00 0.00 31.29 32.32 3cem h VAL 650 CO 0.34 0.20 -0.13 0.77 0.02 0.00 0.00 177.57 178.77 3cem h SER 651 N -0.10 0.00 0.61 0.57 4.64 -1.95 -1.83 113.55 115.49 3cem h SER 651 Ca 0.03 0.00 -0.27 0.00 -0.47 0.00 0.00 61.79 61.08 3cem h SER 651 Cb 0.31 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.40 3cem h SER 651 CO 0.00 0.13 -1.21 0.25 -0.87 0.00 0.00 176.83 175.13 3cem h LEU 652 N 0.00 0.43 -0.87 5.97 6.46 -1.79 -3.13 115.31 122.38 3cem h LEU 652 Ca -0.00 -0.45 0.19 0.00 -0.12 0.00 0.00 57.88 57.50 3cem h LEU 652 Cb 0.62 -0.14 -0.11 0.00 -0.73 0.00 0.00 40.66 40.29 3cem h LEU 652 CO 0.02 1.34 0.39 0.00 -0.62 0.00 0.00 178.44 179.56 3cem h ALA 653 N 0.60 1.34 0.00 1.25 0.00 -0.07 -0.41 119.26 121.97 3cem h ALA 653 Ca -0.13 0.14 -0.00 0.00 0.00 0.00 0.00 54.91 54.92 3cem h ALA 653 Cb 1.94 0.10 -0.00 0.00 0.00 0.00 0.00 17.79 19.83 3cem h ALA 653 CO 0.20 -0.26 -0.02 0.93 0.00 0.00 0.00 179.25 180.10 3cem h GLU 654 N 0.46 0.00 0.09 0.00 5.08 -1.29 -1.43 114.58 117.48 3cem h GLU 654 Ca 0.52 0.00 -0.35 0.00 -1.00 0.00 0.00 59.36 58.53 3cem h GLU 654 Cb 0.90 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 30.12 3cem h GLU 654 CO -0.47 0.02 -1.92 1.63 -1.00 0.00 0.00 179.01 177.26 3cem n LYS 655 N -3.26 0.73 0.00 2.33 5.02 -0.21 -4.55 118.16 118.21 3cem n LYS 655 Ca -0.02 0.27 -0.12 0.00 -2.02 0.00 0.00 58.31 56.42 3cem n LYS 655 Cb 0.13 -1.73 -0.14 0.00 -0.02 0.00 0.00 35.03 33.27 3cem n LYS 655 CO 0.00 0.00 0.00 -0.24 -0.52 0.00 0.00 177.40 176.64 3cem h VAL 656 N 0.05 0.91 0.26 -0.18 3.04 -0.93 -3.37 116.25 116.04 3cem h VAL 656 Ca -0.39 -2.70 -0.01 0.00 -1.01 0.00 0.00 66.70 62.59 3cem h VAL 656 Cb 2.03 2.52 0.00 0.00 -2.01 0.00 0.00 31.29 33.83 3cem h VAL 656 CO 0.09 0.65 -0.13 0.40 -1.01 0.00 0.00 177.57 177.57 3cem h ILE 657 N 0.02 0.77 -0.02 3.17 2.04 -1.52 -2.51 117.51 119.46 3cem h ILE 657 Ca -0.28 -0.20 0.00 0.00 1.00 0.00 0.00 64.86 65.38 3cem h ILE 657 Cb 2.00 0.88 -0.00 0.00 -0.74 0.00 0.00 36.82 38.96 3cem h ILE 657 CO 0.10 0.04 0.15 -0.65 0.00 0.00 0.00 178.15 177.79 3cem h PRO 658 N -0.46 0.00 -0.29 2.37 0.11 -1.80 -0.48 132.00 131.45 3cem h PRO 658 Ca -0.04 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.07 3cem h PRO 658 Cb 0.34 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.45 3cem h PRO 658 CO 0.06 0.00 0.00 0.00 -0.21 0.00 0.00 178.00 177.85 3cem n ALA 659 N -2.03 2.46 -2.28 -0.75 0.00 -0.97 -4.76 120.51 112.19 3cem n ALA 659 Ca -0.02 -0.78 -0.39 0.00 0.00 0.00 0.00 53.44 52.25 3cem n ALA 659 Cb 0.22 -0.97 -0.06 0.00 0.00 0.00 0.00 19.45 18.64 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 -1.63 4.72 -0.19 0.00 2.01 -0.19 -4.70 115.64 115.66 3cem s THR 660 Ca 0.35 1.31 -0.01 0.00 0.31 0.00 0.00 61.69 63.65 3cem s THR 660 Cb 0.20 -3.95 -0.21 0.00 0.01 0.00 0.00 72.50 68.55 3cem s THR 660 CO 0.29 0.51 0.05 0.47 -0.69 0.00 0.00 174.62 175.25 3cem n ASP 661 N 1.96 1.94 -3.92 3.53 8.00 -0.23 -4.16 116.55 123.66 3cem n ASP 661 Ca -0.09 0.02 -0.24 0.00 0.71 0.00 0.00 54.79 55.20 3cem n ASP 661 Cb 0.50 -0.54 -0.17 0.00 -0.02 0.00 0.00 41.12 40.90 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 -6.69 1.27 -0.21 0.64 2.96 -0.30 -0.63 118.68 115.73 3cem s LEU 662 Ca -0.28 -0.23 -0.05 0.00 -0.22 0.00 0.00 54.13 53.35 3cem s LEU 662 Cb 0.08 -0.69 -0.02 0.00 0.50 0.00 0.00 46.19 46.06 3cem s LEU 662 CO 0.68 -0.07 0.01 -0.55 -1.32 0.00 0.00 176.35 175.11 3cem s SER 663 N 1.25 4.87 -0.28 3.68 0.15 0.74 -0.59 113.70 123.51 3cem s SER 663 Ca -0.05 -0.21 -0.19 0.00 0.70 0.00 0.00 55.95 56.21 3cem s SER 663 Cb -0.14 -1.84 -0.02 0.00 -1.71 0.00 0.00 66.02 62.31 3cem s SER 663 CO -0.02 0.05 0.54 -1.61 1.20 0.00 0.00 173.24 173.40 3cem s GLU 664 N 1.11 3.97 -0.49 5.44 0.41 -0.76 -1.41 118.70 126.97 3cem s GLU 664 Ca 0.03 0.26 0.05 0.00 -0.41 0.00 0.00 54.97 54.89 3cem s GLU 664 Cb -0.14 -3.69 0.19 0.00 -1.78 0.00 0.00 34.13 28.70 3cem s GLU 664 CO 0.02 -0.44 0.43 1.04 -0.49 0.00 0.00 175.26 175.82 3cem n GLN 665 N 5.65 0.80 -0.76 1.61 1.13 -0.49 -4.75 117.38 120.57 3cem n GLN 665 Ca -0.03 -3.57 0.06 0.00 -1.94 0.00 0.00 57.00 51.51 3cem n GLN 665 Cb 0.49 -1.77 0.16 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 2.26 1.69 -1.18 5.09 -5.35 -1.26 -2.73 119.36 117.88 3cem n ILE 666 Ca 0.26 -2.66 -0.30 0.00 -0.27 0.00 0.00 62.75 59.78 3cem n ILE 666 Cb 0.46 0.03 0.13 0.00 -1.74 0.00 0.00 39.64 38.52 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 -2.92 3.73 0.21 7.28 1.04 -1.25 -4.67 113.70 117.12 3cem s SER 667 Ca 0.36 1.63 -0.30 0.00 0.48 0.00 0.00 55.95 58.13 3cem s SER 667 Cb 0.36 -2.31 -0.09 0.00 0.10 0.00 0.00 66.02 64.09 3cem s SER 667 CO -0.08 -2.50 1.29 -0.89 0.98 0.00 0.00 173.24 172.03 3cem s THR 668 N -2.90 3.23 0.12 2.02 2.01 -1.07 -4.70 115.64 114.35 3cem s THR 668 Ca 0.63 1.04 -0.35 0.00 0.31 0.00 0.00 61.69 63.31 3cem s THR 668 Cb -0.18 -3.66 -0.16 0.00 0.01 0.00 0.00 72.50 68.50 3cem s THR 668 CO 0.57 0.17 1.25 0.00 -0.69 0.00 0.00 174.62 175.91 3cem n ALA 669 N 2.43 -1.05 0.00 7.40 0.00 -1.26 -1.31 120.51 126.72 3cem n ALA 669 Ca 0.05 0.50 0.00 0.00 0.00 0.00 0.00 53.44 53.99 3cem n ALA 669 Cb 0.43 -2.04 0.00 0.00 0.00 0.00 0.00 19.45 17.84 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 2.27 1.80 0.11 0.00 0.00 -1.26 -4.80 105.19 103.32 3cem n GLY 670 Ca 0.17 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 46.04 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 -2.00 1.59 -2.97 2.61 -2.24 -0.42 -4.85 114.28 105.99 3cem n THR 671 Ca 0.00 -0.71 -0.43 0.00 -2.27 0.00 0.00 64.05 60.64 3cem n THR 671 Cb 0.00 -1.22 -0.05 0.00 -2.10 0.00 0.00 70.33 66.95 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 -2.54 3.33 0.22 -0.78 2.56 -1.26 -4.82 118.70 115.40 3cem s GLU 672 Ca -0.19 -0.29 -0.11 0.00 0.00 0.00 0.00 54.97 54.39 3cem s GLU 672 Cb 0.07 -3.99 0.30 0.00 2.00 0.00 0.00 34.13 32.51 3cem s GLU 672 CO 0.75 -1.22 1.65 0.00 -0.56 0.00 0.00 175.26 175.88 3cem h ALA 673 N 9.06 0.59 0.00 6.30 0.00 -1.89 -3.04 119.26 130.28 3cem h ALA 673 Ca -0.26 0.21 0.00 0.00 0.00 0.00 0.00 54.91 54.86 3cem h ALA 673 Cb 1.08 0.37 0.00 0.00 0.00 0.00 0.00 17.79 19.25 3cem h ALA 673 CO 0.99 -0.41 0.00 0.45 0.00 0.00 0.00 179.25 180.28 3cem n SER 674 N -5.32 -1.19 0.00 0.00 2.88 -1.26 -4.08 113.62 104.65 3cem n SER 674 Ca 0.09 0.53 0.00 0.00 -1.33 0.00 0.00 58.87 58.16 3cem n SER 674 Cb 0.36 1.27 0.00 0.00 -0.75 0.00 0.00 64.21 65.09 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 0.63 -0.87 0.00 0.46 0.00 -1.26 0.86 105.19 105.01 3cem n GLY 675 Ca 0.00 -1.53 0.00 0.00 0.00 0.00 0.00 46.02 44.49 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 -0.32 0.00 -0.14 2.61 -2.24 -1.26 -4.76 114.28 108.17 3cem n THR 676 Ca 0.00 0.00 -0.04 0.00 -2.27 0.00 0.00 64.05 61.74 3cem n THR 676 Cb 0.00 0.00 0.05 0.00 -2.10 0.00 0.00 70.33 68.28 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 0.58 -0.42 3.38 0.00 -1.96 -1.33 103.07 103.32 3cem h GLY 677 Ca 0.00 -0.06 0.24 0.00 0.00 0.00 0.00 47.33 47.50 3cem h GLY 677 CO 0.00 -0.01 0.28 3.45 0.00 0.00 0.00 176.54 180.26 3cem h ASN 678 N 0.29 0.09 -0.60 0.19 7.08 -1.94 0.39 115.58 121.07 3cem h ASN 678 Ca 0.22 0.19 -0.09 0.00 -3.08 0.00 0.00 56.30 53.54 3cem h ASN 678 Cb 0.25 0.24 -0.02 0.00 -2.08 0.00 0.00 38.32 36.70 3cem h ASN 678 CO -0.25 -0.13 0.02 0.24 -2.08 0.00 0.00 177.43 175.23 3cem h MET 679 N 0.24 1.04 -0.39 4.14 2.86 -1.58 -2.89 114.93 118.35 3cem h MET 679 Ca 0.57 -0.32 0.01 0.00 -2.06 0.00 0.00 59.70 57.89 3cem h MET 679 Cb 1.15 -0.10 -0.02 0.00 0.06 0.00 0.00 31.60 32.69 3cem h MET 679 CO -0.63 1.01 0.25 0.87 1.06 0.00 0.00 176.91 179.47 3cem h LYS 680 N 0.93 0.49 -0.70 1.72 1.57 0.37 -2.54 116.57 118.43 3cem h LYS 680 Ca 0.17 -0.03 -0.05 0.00 -1.87 0.00 0.00 60.65 58.87 3cem h LYS 680 Cb 0.53 -0.11 -0.03 0.00 0.08 0.00 0.00 32.23 32.70 3cem h LYS 680 CO 0.03 0.33 0.23 0.74 -0.57 0.00 0.00 179.45 180.20 3cem h PHE 681 N 0.51 1.11 -0.40 -1.35 0.04 -1.48 -2.59 116.94 112.79 3cem h PHE 681 Ca 0.15 -0.11 0.03 0.00 2.80 0.00 0.00 57.97 60.84 3cem h PHE 681 Cb -0.04 -0.32 -0.03 0.00 2.20 0.00 0.00 35.95 37.75 3cem h PHE 681 CO -0.06 0.88 0.21 1.98 -0.60 0.00 0.00 178.31 180.72 3cem h MET 682 N 1.01 0.41 0.00 1.51 4.05 -1.34 -1.24 114.93 119.33 3cem h MET 682 Ca 0.23 -0.02 -0.05 0.00 -0.28 0.00 0.00 59.70 59.57 3cem h MET 682 Cb 0.28 -0.09 -0.01 0.00 -0.80 0.00 0.00 31.60 30.98 3cem h MET 682 CO -0.01 0.27 -0.25 1.25 0.23 0.00 0.00 176.91 178.39 3cem h LEU 683 N 0.42 0.00 -2.36 3.39 6.46 -1.40 -3.06 115.31 118.76 3cem h LEU 683 Ca 0.17 0.00 0.00 0.00 -0.12 0.00 0.00 57.88 57.93 3cem h LEU 683 Cb 0.06 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 39.99 3cem h LEU 683 CO -0.11 0.25 0.00 0.59 -0.62 0.00 0.00 178.44 178.56 3cem n ASN 684 N -3.84 3.45 0.00 1.25 3.02 -0.58 -4.91 115.26 113.66 3cem n ASN 684 Ca -0.02 -1.99 0.00 0.00 -0.03 0.00 0.00 54.58 52.54 3cem n ASN 684 Cb 0.35 -0.40 0.00 0.00 -0.61 0.00 0.00 39.78 39.11 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 1.53 1.38 3.80 7.41 0.00 -0.93 -4.80 105.19 113.58 3cem n GLY 685 Ca 0.21 -0.33 -0.31 0.00 0.00 0.00 0.00 46.02 45.59 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 3.63 0.42 4.61 0.00 -0.57 -4.77 121.76 123.08 3cem s ALA 686 Ca 0.00 -0.94 -0.07 0.00 0.00 0.00 0.00 51.96 50.96 3cem s ALA 686 Cb 0.00 -1.54 -0.05 0.00 0.00 0.00 0.00 23.12 21.53 3cem s ALA 686 CO 0.00 0.74 0.74 -0.51 0.00 0.00 0.00 175.76 176.73 3cem s LEU 687 N -2.15 3.78 -0.11 0.00 1.43 0.20 -4.41 118.68 117.42 3cem s LEU 687 Ca 0.28 0.96 0.03 0.00 -1.03 0.00 0.00 54.13 54.36 3cem s LEU 687 Cb -0.12 -3.86 -0.01 0.00 0.03 0.00 0.00 46.19 42.23 3cem s LEU 687 CO 0.20 -0.45 -0.20 -0.89 0.23 0.00 0.00 176.35 175.23 3cem s THR 688 N -2.50 2.38 -0.20 5.49 2.01 -1.26 -0.19 115.64 121.38 3cem s THR 688 Ca 0.48 -0.91 -0.05 0.00 0.31 0.00 0.00 61.69 61.52 3cem s THR 688 Cb -0.10 -1.94 -0.02 0.00 0.01 0.00 0.00 72.50 70.44 3cem s THR 688 CO 0.37 0.55 0.00 -0.51 -0.69 0.00 0.00 174.62 174.34 3cem s ILE 689 N 0.31 3.96 0.02 1.82 2.07 -0.50 -0.99 121.20 127.89 3cem s ILE 689 Ca -0.15 -0.31 -0.03 0.00 -1.41 0.00 0.00 60.65 58.75 3cem s ILE 689 Cb -0.17 -2.79 0.01 0.00 0.13 0.00 0.00 42.46 39.64 3cem s ILE 689 CO 0.08 0.43 0.13 0.61 -1.91 0.00 0.00 174.94 174.27 3cem n GLY 690 N 4.24 1.09 3.96 1.50 0.00 -0.83 -1.40 105.19 113.75 3cem n GLY 690 Ca -0.17 -0.93 -0.22 0.00 0.00 0.00 0.00 46.02 44.70 3cem n GLY 690 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3cem s THR 691 N -2.44 4.43 -1.17 2.61 -4.23 -1.10 -1.64 115.64 112.09 3cem s THR 691 Ca 0.03 -0.62 -0.20 0.00 -1.18 0.00 0.00 61.69 59.73 3cem s THR 691 Cb -0.00 -3.61 -0.04 0.00 1.34 0.00 0.00 72.50 70.19 3cem s THR 691 CO 0.01 -0.37 1.93 0.80 -0.54 0.00 0.00 174.62 176.45 3cem n MET 692 N -1.86 2.26 -3.88 3.99 1.56 -1.26 -4.63 117.12 113.30 3cem n MET 692 Ca -0.02 -2.58 -0.11 0.00 -0.27 0.00 0.00 57.70 54.73 3cem n MET 692 Cb 0.57 -3.40 -0.10 0.00 2.15 0.00 0.00 33.22 32.44 3cem n MET 692 CO 0.00 0.00 0.00 0.34 -0.73 0.00 0.00 175.97 175.58 3cem s ASP 693 N 4.90 0.03 0.91 6.12 3.68 -1.26 -4.65 116.67 126.39 3cem s ASP 693 Ca 0.58 -0.16 0.00 0.00 2.13 0.00 0.00 52.55 55.10 3cem s ASP 693 Cb 0.07 0.21 0.00 0.00 -1.45 0.00 0.00 42.92 41.74 3cem s ASP 693 CO 0.08 -0.31 0.00 0.61 0.13 0.00 0.00 175.17 175.68 3cem n GLY 694 N 1.73 2.42 0.00 2.66 0.00 -1.15 -0.99 105.19 109.86 3cem n GLY 694 Ca -0.21 -0.41 0.11 0.00 0.00 0.00 0.00 46.02 45.51 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 7.72 2.06 -0.26 4.61 0.00 0.25 -3.06 120.51 131.83 3cem n ALA 695 Ca 0.00 -0.08 0.07 0.00 0.00 0.00 0.00 53.44 53.43 3cem n ALA 695 Cb 0.00 -1.37 0.20 0.00 0.00 0.00 0.00 19.45 18.28 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 0.00 0.07 -0.61 0.00 2.35 -1.23 -0.90 115.58 115.26 3cem h ASN 696 Ca 0.00 0.15 0.13 0.00 -0.55 0.00 0.00 56.30 56.02 3cem h ASN 696 Cb 0.37 0.18 -0.10 0.00 0.05 0.00 0.00 38.32 38.83 3cem h ASN 696 CO 0.00 -0.02 0.03 0.58 -1.65 0.00 0.00 177.43 176.37 3cem h VAL 697 N 0.30 0.53 0.00 2.81 2.07 -1.60 -0.96 116.25 119.40 3cem h VAL 697 Ca 0.44 -0.05 -0.14 0.00 0.82 0.00 0.00 66.70 67.77 3cem h VAL 697 Cb 0.75 0.36 -0.02 0.00 -1.52 0.00 0.00 31.29 30.87 3cem h VAL 697 CO -0.51 0.03 -0.67 -0.33 0.02 0.00 0.00 177.57 176.11 3cem h GLU 698 N 0.15 0.00 0.28 1.57 5.08 -1.49 -1.62 114.58 118.55 3cem h GLU 698 Ca 0.32 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.68 3cem h GLU 698 Cb 0.52 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.74 3cem h GLU 698 CO -0.50 0.67 -0.29 0.52 -1.00 0.00 0.00 179.01 178.41 3cem h MET 699 N 0.00 -0.59 -0.70 2.33 2.86 -0.32 -1.87 114.93 116.64 3cem h MET 699 Ca -0.01 0.04 0.15 0.00 -2.06 0.00 0.00 59.70 57.82 3cem h MET 699 Cb 1.28 0.13 -0.11 0.00 0.06 0.00 0.00 31.60 32.96 3cem h MET 699 CO 0.09 -0.39 0.14 0.00 1.06 0.00 0.00 176.91 177.80 3cem h ALA 700 N -0.02 0.86 -0.23 6.32 0.00 -1.14 -1.30 119.26 123.76 3cem h ALA 700 Ca -0.01 0.17 0.04 0.00 0.00 0.00 0.00 54.91 55.11 3cem h ALA 700 Cb 0.56 0.25 -0.04 0.00 0.00 0.00 0.00 17.79 18.56 3cem h ALA 700 CO -0.07 -0.35 -0.03 0.93 0.00 0.00 0.00 179.25 179.73 3cem h GLU 701 N 0.24 0.03 -0.48 0.00 5.08 -0.86 0.24 114.58 118.83 3cem h GLU 701 Ca 0.39 -0.00 -0.13 0.00 -1.00 0.00 0.00 59.36 58.61 3cem h GLU 701 Cb 0.65 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.88 3cem h GLU 701 CO -0.51 0.02 -0.23 0.93 -1.00 0.00 0.00 179.01 178.22 3cem h GLU 702 N 0.03 0.99 0.00 2.33 4.39 -1.02 -3.31 114.58 117.98 3cem h GLU 702 Ca 0.11 -0.43 -0.06 0.00 0.34 0.00 0.00 59.36 59.33 3cem h GLU 702 Cb 0.16 -0.03 -0.01 0.00 -0.10 0.00 0.00 28.75 28.77 3cem h GLU 702 CO -0.22 1.10 -1.86 0.00 -1.16 0.00 0.00 179.01 176.88 3cem n ALA 703 N -2.52 2.55 -0.01 3.43 0.00 -0.52 -4.83 120.51 118.61 3cem n ALA 703 Ca -0.00 -0.58 0.00 0.00 0.00 0.00 0.00 53.44 52.86 3cem n ALA 703 Cb 0.46 -0.75 0.00 0.00 0.00 0.00 0.00 19.45 19.17 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 0.81 0.31 0.00 0.00 0.83 -4.62 105.19 103.84 3cem n GLY 704 Ca -0.07 -1.29 0.12 0.00 0.00 0.00 0.00 46.02 44.77 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 0.08 0.00 1.61 4.81 -1.87 -0.54 114.58 118.66 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 -0.02 0.00 0.00 0.63 0.00 0.00 28.75 29.36 3cem h GLU 705 CO 0.00 0.05 0.00 1.05 -0.73 0.00 0.00 179.01 179.38 3cem h GLU 706 N 0.08 0.00 -0.01 1.92 9.09 -1.91 -2.13 114.58 121.62 3cem h GLU 706 Ca 0.11 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.52 3cem h GLU 706 Cb 0.35 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.45 3cem h GLU 706 CO -0.01 0.00 -0.03 0.09 0.05 0.00 0.00 179.01 179.11 3cem n ASN 707 N -2.35 1.29 -4.56 3.06 3.02 -0.21 -4.85 115.26 110.66 3cem n ASN 707 Ca 0.05 -1.37 -0.24 0.00 -0.03 0.00 0.00 54.58 52.98 3cem n ASN 707 Cb 0.39 0.01 -0.09 0.00 -0.61 0.00 0.00 39.78 39.49 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 -2.06 2.92 -1.16 3.41 1.02 -0.80 -4.80 118.68 117.21 3cem s LEU 708 Ca 0.37 -0.76 -0.10 0.00 0.02 0.00 0.00 54.13 53.67 3cem s LEU 708 Cb 0.21 -1.48 0.24 0.00 0.02 0.00 0.00 46.19 45.18 3cem s LEU 708 CO 0.36 0.04 1.36 0.49 0.02 0.00 0.00 176.35 178.61 3cem n PHE 709 N -0.55 4.43 -2.69 0.29 3.01 -0.16 -4.96 117.46 116.83 3cem n PHE 709 Ca -0.07 -3.41 -0.38 0.00 1.01 0.00 0.00 57.45 54.60 3cem n PHE 709 Cb 0.58 -1.80 -0.06 0.00 -0.01 0.00 0.00 39.48 38.20 3cem n PHE 709 CO 0.00 0.00 0.00 0.42 1.01 0.00 0.00 176.76 178.19 3cem s ILE 710 N -0.56 4.01 0.26 4.37 -1.09 -1.26 -1.96 121.20 124.98 3cem s ILE 710 Ca 0.35 1.71 -0.18 0.00 -2.23 0.00 0.00 60.65 60.30 3cem s ILE 710 Cb -0.03 -3.96 0.01 0.00 -1.58 0.00 0.00 42.46 36.89 3cem s ILE 710 CO -0.02 0.17 0.63 0.72 -1.23 0.00 0.00 174.94 175.21 3cem s PHE 711 N -1.53 0.01 0.00 3.97 -0.12 -0.65 -4.95 117.98 114.71 3cem s PHE 711 Ca 0.50 -0.43 0.00 0.00 -0.05 0.00 0.00 56.93 56.96 3cem s PHE 711 Cb -0.22 0.51 0.00 0.00 -0.63 0.00 0.00 43.02 42.69 3cem s PHE 711 CO 0.27 -1.14 0.00 0.41 -0.05 0.00 0.00 175.22 174.72 3cem n GLY 712 N -0.43 -2.48 3.77 1.99 0.00 -1.26 -4.26 105.19 102.52 3cem n GLY 712 Ca -0.03 -1.66 -0.36 0.00 0.00 0.00 0.00 46.02 43.96 3cem n GLY 712 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 3cem s MET 713 N -0.55 3.38 0.59 1.61 -1.94 -1.26 -4.91 119.30 116.22 3cem s MET 713 Ca 0.00 1.75 0.09 0.00 -1.71 0.00 0.00 55.69 55.82 3cem s MET 713 Cb 0.00 -2.13 0.09 0.00 2.01 0.00 0.00 34.83 34.80 3cem s MET 713 CO 0.00 -0.86 0.76 1.03 -0.01 0.00 0.00 175.02 175.94 3cem s ARG 714 N -3.09 2.24 0.29 2.03 0.52 -1.26 -4.52 118.95 115.15 3cem s ARG 714 Ca 0.71 -1.76 -0.01 0.00 -0.52 0.00 0.00 55.73 54.15 3cem s ARG 714 Cb -0.28 -2.54 0.46 0.00 0.52 0.00 0.00 34.95 33.11 3cem s ARG 714 CO 0.32 -0.90 1.92 0.97 0.02 0.00 0.00 175.30 177.63 3cem h ILE 715 N 0.21 1.12 -0.37 1.52 2.10 -1.87 -2.00 117.51 118.22 3cem h ILE 715 Ca -0.30 -0.38 -0.07 0.00 1.08 0.00 0.00 64.86 65.19 3cem h ILE 715 Cb 1.29 -0.09 -0.01 0.00 -1.09 0.00 0.00 36.82 36.92 3cem h ILE 715 CO 0.43 0.20 -0.03 0.44 -1.08 0.00 0.00 178.15 178.12 3cem h ASP 716 N 1.12 0.66 -0.81 2.19 5.19 -1.98 -2.65 116.42 120.14 3cem h ASP 716 Ca 0.38 -0.32 0.14 0.00 -0.62 0.00 0.00 57.03 56.61 3cem h ASP 716 Cb 0.08 -0.18 -0.06 0.00 0.18 0.00 0.00 39.33 39.36 3cem h ASP 716 CO -0.13 0.83 0.53 0.44 -3.12 0.00 0.00 179.24 177.80 3cem h ASP 717 N 0.48 0.51 -0.04 6.45 3.32 -1.85 -1.41 116.42 123.89 3cem h ASP 717 Ca 0.10 0.03 -0.12 0.00 0.02 0.00 0.00 57.03 57.06 3cem h ASP 717 Cb 0.50 -0.07 0.01 0.00 0.22 0.00 0.00 39.33 39.99 3cem h ASP 717 CO 0.02 0.26 -0.46 0.58 -1.72 0.00 0.00 179.24 177.93 3cem h VAL 718 N 0.54 1.43 -0.24 -1.35 2.07 -1.19 -2.47 116.25 115.03 3cem h VAL 718 Ca 0.40 -1.92 0.04 0.00 0.82 0.00 0.00 66.70 66.04 3cem h VAL 718 Cb 0.78 2.47 -0.07 0.00 -1.52 0.00 0.00 31.29 32.95 3cem h VAL 718 CO -0.15 0.55 -0.51 0.00 0.02 0.00 0.00 177.57 177.48 3cem h ALA 719 N 0.37 -0.81 -0.91 1.67 0.00 -1.26 -1.70 119.26 116.62 3cem h ALA 719 Ca -0.05 -0.03 0.19 0.00 0.00 0.00 0.00 54.91 55.02 3cem h ALA 719 Cb 1.15 1.04 -0.07 0.00 0.00 0.00 0.00 17.79 19.90 3cem h ALA 719 CO 0.09 -1.02 0.59 0.00 0.00 0.00 0.00 179.25 178.91 3cem h ALA 720 N -0.28 2.07 0.00 0.00 0.00 -1.25 -0.36 119.26 119.44 3cem h ALA 720 Ca 0.05 0.03 -0.10 0.00 0.00 0.00 0.00 54.91 54.88 3cem h ALA 720 Cb 0.59 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.32 3cem h ALA 720 CO -0.47 -0.36 -0.48 1.25 0.00 0.00 0.00 179.25 179.19 3cem h LEU 721 N 0.50 0.00 -0.08 0.00 5.85 -1.19 -1.76 115.31 118.63 3cem h LEU 721 Ca 0.48 0.00 -0.21 0.00 0.84 0.00 0.00 57.88 58.99 3cem h LEU 721 Cb 1.05 0.00 0.01 0.00 0.37 0.00 0.00 40.66 42.09 3cem h LEU 721 CO -0.21 0.48 -0.76 0.44 -0.34 0.00 0.00 178.44 178.05 3cem h ASP 722 N 0.00 0.81 -0.66 1.25 3.32 -0.16 -1.56 116.42 119.42 3cem h ASP 722 Ca -0.00 -0.68 -0.07 0.00 0.02 0.00 0.00 57.03 56.29 3cem h ASP 722 Cb 1.36 -0.24 -0.03 0.00 0.22 0.00 0.00 39.33 40.64 3cem h ASP 722 CO 0.06 1.37 0.13 0.50 -1.72 0.00 0.00 179.24 179.58 3cem h LYS 723 N 0.31 1.07 -0.19 3.56 3.64 -1.24 -2.33 116.57 121.40 3cem h LYS 723 Ca -0.07 -0.28 -0.10 0.00 -1.27 0.00 0.00 60.65 58.93 3cem h LYS 723 Cb 1.41 -0.13 -0.01 0.00 -0.41 0.00 0.00 32.23 33.09 3cem h LYS 723 CO 0.15 0.98 -0.32 -0.22 -2.27 0.00 0.00 179.45 177.77 3cem h LYS 724 N 0.99 0.38 -0.43 1.90 3.64 -1.37 -3.49 116.57 118.19 3cem h LYS 724 Ca 0.20 -0.16 0.00 0.00 -1.27 0.00 0.00 60.65 59.42 3cem h LYS 724 Cb 0.41 -0.02 0.00 0.00 -0.41 0.00 0.00 32.23 32.21 3cem h LYS 724 CO 0.01 0.66 0.00 0.41 -2.27 0.00 0.00 179.45 178.26 3cem n GLY 725 N -0.30 -0.03 3.59 5.01 0.00 -0.60 -5.00 105.19 107.86 3cem n GLY 725 Ca -0.01 -0.94 -0.43 0.00 0.00 0.00 0.00 46.02 44.64 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 0.00 2.73 -0.39 1.61 5.04 -1.11 -4.94 117.35 120.30 3cem s TYR 726 Ca 0.00 0.59 -0.14 0.00 -2.44 0.00 0.00 57.07 55.08 3cem s TYR 726 Cb 0.00 -4.48 0.01 0.00 0.35 0.00 0.00 41.96 37.84 3cem s TYR 726 CO 0.00 -1.40 0.27 -1.21 -1.34 0.00 0.00 175.55 171.87 3cem s GLU 727 N 4.67 3.10 0.51 4.97 0.41 -1.26 -4.96 118.70 126.14 3cem s GLU 727 Ca 0.46 -0.92 0.31 0.00 -0.41 0.00 0.00 54.97 54.41 3cem s GLU 727 Cb -0.07 -3.90 1.15 0.00 -1.78 0.00 0.00 34.13 29.53 3cem s GLU 727 CO 0.29 -0.66 1.90 0.00 -0.49 0.00 0.00 175.26 176.31 3cem h ALA 728 N 8.57 1.00 -0.74 5.21 0.00 -1.88 -3.19 119.26 128.23 3cem h ALA 728 Ca -0.28 0.00 0.06 0.00 0.00 0.00 0.00 54.91 54.69 3cem h ALA 728 Cb 1.13 0.00 -0.05 0.00 0.00 0.00 0.00 17.79 18.87 3cem h ALA 728 CO 0.70 0.00 0.49 -0.22 0.00 0.00 0.00 179.25 180.21 3cem h LYS 729 N 0.00 0.79 0.00 0.00 3.64 -1.93 -2.93 116.57 116.15 3cem h LYS 729 Ca 0.00 -0.05 0.00 0.00 -1.27 0.00 0.00 60.65 59.33 3cem h LYS 729 Cb 0.60 -0.18 0.00 0.00 -0.41 0.00 0.00 32.23 32.24 3cem h LYS 729 CO 0.00 0.52 0.00 0.93 -2.27 0.00 0.00 179.45 178.63 3cem h GLU 730 N 0.81 0.00 0.11 1.90 5.08 -1.99 -2.43 114.58 118.06 3cem h GLU 730 Ca 0.31 0.00 -0.35 0.00 -1.00 0.00 0.00 59.36 58.32 3cem h GLU 730 Cb 0.20 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.43 3cem h GLU 730 CO -0.10 0.00 -1.92 0.66 -1.00 0.00 0.00 179.01 176.65 3cem n TYR 731 N -2.71 1.21 -0.31 4.33 4.02 -1.11 -2.04 117.16 120.56 3cem n TYR 731 Ca 0.02 0.28 0.08 0.00 -0.01 0.00 0.00 57.90 58.28 3cem n TYR 731 Cb 0.33 -1.15 0.30 0.00 -0.02 0.00 0.00 39.34 38.80 3cem n TYR 731 CO 0.00 0.00 0.00 -0.92 -1.01 0.00 0.00 176.86 174.93 3cem h TYR 732 N -0.06 0.99 0.15 -0.72 3.20 -1.56 -1.66 116.97 117.30 3cem h TYR 732 Ca -0.42 0.03 -0.31 0.00 3.14 0.00 0.00 58.73 61.17 3cem h TYR 732 Cb 1.94 -0.31 0.00 0.00 1.54 0.00 0.00 36.73 39.90 3cem h TYR 732 CO 0.08 0.41 -1.51 0.93 -1.64 0.00 0.00 178.16 176.43 3cem h GLU 733 N 0.88 0.31 0.00 1.82 5.08 -1.57 -3.35 114.58 117.75 3cem h GLU 733 Ca 0.45 -0.53 0.00 0.00 -1.00 0.00 0.00 59.36 58.28 3cem h GLU 733 Cb 0.52 0.20 0.00 0.00 0.50 0.00 0.00 28.75 29.96 3cem h GLU 733 CO -0.21 1.20 0.00 0.00 -1.00 0.00 0.00 179.01 179.00 3cem n ALA 734 N -2.68 2.03 -3.60 3.43 0.00 -0.86 -4.63 120.51 114.20 3cem n ALA 734 Ca -0.16 -0.06 -0.29 0.00 0.00 0.00 0.00 53.44 52.93 3cem n ALA 734 Cb 1.05 -1.38 -0.13 0.00 0.00 0.00 0.00 19.45 18.99 3cem n ALA 734 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 3cem s LEU 735 N -3.32 1.83 0.55 0.00 1.43 -0.66 -5.02 118.68 113.50 3cem s LEU 735 Ca 0.10 -2.28 0.30 0.00 -1.03 0.00 0.00 54.13 51.22 3cem s LEU 735 Cb 0.14 -0.72 1.46 0.00 0.03 0.00 0.00 46.19 47.10 3cem s LEU 735 CO 0.43 -0.31 1.91 1.55 0.23 0.00 0.00 176.35 180.17 3cem h PRO 736 N 7.07 0.00 -0.48 1.29 0.13 -1.85 -1.13 132.00 137.03 3cem h PRO 736 Ca -0.00 0.00 -0.11 0.00 -0.87 0.00 0.00 66.00 65.01 3cem h PRO 736 Cb 0.96 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.07 3cem h PRO 736 CO 0.39 0.00 -0.14 0.93 -0.23 0.00 0.00 178.00 178.95 3cem h GLU 737 N 0.00 0.95 -0.05 0.86 5.08 -1.95 -2.59 114.58 116.87 3cem h GLU 737 Ca 0.35 -0.37 -0.00 0.00 -1.00 0.00 0.00 59.36 58.33 3cem h GLU 737 Cb 1.46 -0.05 -0.00 0.00 0.50 0.00 0.00 28.75 30.66 3cem h GLU 737 CO -0.00 1.04 0.03 1.25 -1.00 0.00 0.00 179.01 180.32 3cem h LEU 738 N 0.80 0.07 -1.17 1.33 5.85 -1.58 -3.02 115.31 117.58 3cem h LEU 738 Ca 0.12 -0.08 0.12 0.00 0.84 0.00 0.00 57.88 58.87 3cem h LEU 738 Cb 0.70 -0.02 -0.07 0.00 0.37 0.00 0.00 40.66 41.64 3cem h LEU 738 CO 0.05 0.13 0.59 0.50 -0.34 0.00 0.00 178.44 179.37 3cem h LYS 739 N -0.00 0.83 0.78 1.25 3.64 -1.33 -0.94 116.57 120.81 3cem h LYS 739 Ca 0.02 -0.05 -0.04 0.00 -1.27 0.00 0.00 60.65 59.31 3cem h LYS 739 Cb 0.08 -0.19 0.01 0.00 -0.41 0.00 0.00 32.23 31.72 3cem h LYS 739 CO -0.00 0.55 -0.38 1.25 -2.27 0.00 0.00 179.45 178.60 3cem h LEU 740 N 0.86 -0.89 -0.87 5.20 5.85 -1.46 -0.98 115.31 123.02 3cem h LEU 740 Ca 0.45 0.02 0.10 0.00 0.84 0.00 0.00 57.88 59.30 3cem h LEU 740 Cb 0.53 0.23 -0.12 0.00 0.37 0.00 0.00 40.66 41.67 3cem h LEU 740 CO -0.21 -0.53 -0.44 0.52 -0.34 0.00 0.00 178.44 177.44 3cem n VAL 741 N -5.48 -0.53 0.12 1.05 0.31 -0.93 -0.59 118.33 112.29 3cem n VAL 741 Ca -0.13 2.07 -0.13 0.00 -0.01 0.00 0.00 64.34 66.14 3cem n VAL 741 Cb 0.42 -2.63 -0.07 0.00 -0.91 0.00 0.00 33.84 30.65 3cem n VAL 741 CO 0.00 0.00 0.00 0.40 -1.32 0.00 0.00 176.83 175.91 3cem h ILE 742 N 0.00 0.76 -0.40 2.52 1.08 -1.19 -1.89 117.51 118.39 3cem h ILE 742 Ca 0.21 0.00 0.08 0.00 -0.39 0.00 0.00 64.86 64.76 3cem h ILE 742 Cb 0.43 0.76 -0.08 0.00 -3.07 0.00 0.00 36.82 34.86 3cem h ILE 742 CO -0.84 0.00 -0.14 0.44 -0.69 0.00 0.00 178.15 176.92 3cem h ASP 743 N -0.27 -0.50 -0.35 1.72 3.32 -0.24 -1.33 116.42 118.77 3cem h ASP 743 Ca -0.01 0.14 0.05 0.00 0.02 0.00 0.00 57.03 57.23 3cem h ASP 743 Cb 0.24 0.30 -0.05 0.00 0.22 0.00 0.00 39.33 40.03 3cem h ASP 743 CO -0.00 -0.18 0.06 1.56 -1.72 0.00 0.00 179.24 178.97 3cem h GLN 744 N -0.05 0.17 -0.20 3.56 4.20 -0.59 -0.44 115.11 121.76 3cem h GLN 744 Ca 0.20 -0.01 0.02 0.00 0.06 0.00 0.00 58.65 58.92 3cem h GLN 744 Cb 0.35 -0.04 -0.02 0.00 0.30 0.00 0.00 27.48 28.07 3cem h GLN 744 CO -0.44 0.12 0.07 0.82 -0.67 0.00 0.00 178.83 178.72 3cem h ILE 745 N 0.18 0.95 0.00 2.54 2.04 -0.99 -0.00 117.51 122.23 3cem h ILE 745 Ca 0.17 -0.06 -0.01 0.00 1.00 0.00 0.00 64.86 65.96 3cem h ILE 745 Cb 0.19 0.77 -0.00 0.00 -0.74 0.00 0.00 36.82 37.04 3cem h ILE 745 CO -0.22 0.03 -0.03 -0.78 0.00 0.00 0.00 178.15 177.15 3cem h ASP 746 N 0.17 0.00 -0.01 1.72 3.58 -0.94 -3.20 116.42 117.74 3cem h ASP 746 Ca 0.09 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.54 3cem h ASP 746 Cb 0.05 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.10 3cem h ASP 746 CO -0.09 0.03 -0.44 0.59 -2.88 0.00 0.00 179.24 176.45 3cem n ASN 747 N -3.12 1.53 0.00 2.28 3.02 -0.20 -4.77 115.26 114.00 3cem n ASN 747 Ca 0.01 -1.26 0.00 0.00 -0.03 0.00 0.00 54.58 53.30 3cem n ASN 747 Cb 0.37 0.57 0.00 0.00 -0.61 0.00 0.00 39.78 40.11 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 1.23 1.02 0.22 7.41 0.00 -1.05 -4.78 105.19 109.24 3cem n GLY 748 Ca 0.06 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.08 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 0.24 -0.05 1.61 3.57 -1.23 -2.02 116.94 119.05 3cem h PHE 749 Ca 0.00 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.53 3cem h PHE 749 Cb 0.00 -0.02 0.00 0.00 2.79 0.00 0.00 35.95 38.72 3cem h PHE 749 CO 0.00 0.01 0.00 1.19 -2.23 0.00 0.00 178.31 177.28 3cem n PHE 750 N -5.09 0.05 -3.07 0.41 3.72 -1.25 -4.43 117.46 107.80 3cem n PHE 750 Ca 0.07 -0.02 -0.19 0.00 -0.05 0.00 0.00 57.45 57.26 3cem n PHE 750 Cb 0.28 0.00 -0.04 0.00 -0.94 0.00 0.00 39.48 38.78 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 0.38 -0.84 -0.14 4.37 3.41 -0.85 -4.71 113.62 115.25 3cem n SER 751 Ca 0.18 -2.83 -0.10 0.00 -0.26 0.00 0.00 58.87 55.85 3cem n SER 751 Cb 0.39 0.11 -0.05 0.00 -0.26 0.00 0.00 64.21 64.40 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 4.18 -0.31 0.00 4.33 0.13 -1.60 -1.66 132.00 137.06 3cem h PRO 752 Ca 0.03 0.02 0.00 0.00 -0.87 0.00 0.00 66.00 65.18 3cem h PRO 752 Cb 0.93 0.07 0.00 0.00 0.13 0.00 0.00 31.00 32.13 3cem h PRO 752 CO 0.40 -0.21 0.00 1.63 -0.23 0.00 0.00 178.00 179.60 3cem n LYS 753 N -5.41 0.04 -2.91 0.86 4.01 -1.26 -3.67 118.16 109.82 3cem n LYS 753 Ca -0.01 0.27 -0.10 0.00 -0.51 0.00 0.00 58.31 57.97 3cem n LYS 753 Cb 0.35 -1.50 -0.01 0.00 -0.51 0.00 0.00 35.03 33.36 3cem n LYS 753 CO 0.00 0.00 0.00 1.04 -1.11 0.00 0.00 177.40 177.33 3cem n GLN 754 N -1.30 0.47 -0.36 1.97 6.02 -0.65 -5.01 117.38 118.52 3cem n GLN 754 Ca 0.01 -2.30 0.34 0.00 -0.01 0.00 0.00 57.00 55.05 3cem n GLN 754 Cb 0.03 -1.51 0.70 0.00 1.02 0.00 0.00 30.24 30.47 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 5.08 0.09 -0.00 -1.09 0.11 -1.58 -1.59 132.00 133.02 3cem h PRO 755 Ca 0.10 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.20 3cem h PRO 755 Cb 1.06 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 32.15 3cem h PRO 755 CO 0.11 0.06 -0.32 -0.25 -0.21 0.00 0.00 178.00 177.39 3cem n ASP 756 N -4.29 0.36 -0.33 -2.05 10.43 -1.26 -3.30 116.55 116.11 3cem n ASP 756 Ca 0.28 -0.06 0.11 0.00 2.57 0.00 0.00 54.79 57.69 3cem n ASP 756 Cb 1.25 0.00 0.23 0.00 1.84 0.00 0.00 41.12 44.44 3cem n ASP 756 CO 0.00 0.00 0.00 0.25 -1.07 0.00 0.00 177.20 176.38 3cem h LEU 757 N 0.06 -0.57 -1.78 0.64 5.85 -1.62 -1.58 115.31 116.31 3cem h LEU 757 Ca 0.00 0.27 0.00 0.00 0.84 0.00 0.00 57.88 58.99 3cem h LEU 757 Cb 0.49 0.49 0.00 0.00 0.37 0.00 0.00 40.66 42.02 3cem h LEU 757 CO 0.00 -0.31 0.00 0.49 -0.34 0.00 0.00 178.44 178.28 3cem n PHE 758 N -5.50 0.66 -0.27 1.25 3.72 -1.26 -4.43 117.46 111.62 3cem n PHE 758 Ca 0.19 -0.32 -0.01 0.00 -0.05 0.00 0.00 57.45 57.26 3cem n PHE 758 Cb 0.64 -0.01 0.02 0.00 -0.94 0.00 0.00 39.48 39.19 3cem n PHE 758 CO 0.00 0.00 0.00 1.17 -0.05 0.00 0.00 176.76 177.88 3cem n LYS 759 N 0.88 -0.18 -0.22 -1.08 3.00 -0.60 -0.70 118.16 119.27 3cem n LYS 759 Ca 0.16 1.08 -0.02 0.00 -0.00 0.00 0.00 58.31 59.54 3cem n LYS 759 Cb 0.42 -1.61 0.18 0.00 0.00 0.00 0.00 35.03 34.02 3cem n LYS 759 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.40 176.96 3cem h ASP 760 N 0.00 0.91 -0.01 3.14 3.32 -1.84 0.12 116.42 122.06 3cem h ASP 760 Ca 0.24 -0.09 -0.00 0.00 0.02 0.00 0.00 57.03 57.20 3cem h ASP 760 Cb 0.41 -0.23 -0.00 0.00 0.22 0.00 0.00 39.33 39.73 3cem h ASP 760 CO -0.70 0.75 0.00 0.40 -1.72 0.00 0.00 179.24 177.98 3cem h ILE 761 N 1.02 1.17 -0.20 0.35 2.04 -1.24 -1.69 117.51 118.96 3cem h ILE 761 Ca 0.25 -0.52 0.03 0.00 1.00 0.00 0.00 64.86 65.63 3cem h ILE 761 Cb 0.06 1.50 -0.03 0.00 -0.74 0.00 0.00 36.82 37.61 3cem h ILE 761 CO -0.04 0.14 0.02 0.40 0.00 0.00 0.00 178.15 178.67 3cem h ILE 762 N -0.19 0.88 -0.93 -0.67 1.08 -0.96 0.69 117.51 117.42 3cem h ILE 762 Ca 0.00 -0.03 0.05 0.00 -0.39 0.00 0.00 64.86 64.49 3cem h ILE 762 Cb 0.22 0.79 -0.06 0.00 -3.07 0.00 0.00 36.82 34.70 3cem h ILE 762 CO -0.00 0.02 0.60 -1.13 -0.69 0.00 0.00 178.15 176.94 3cem h ASN 763 N 0.09 0.97 -0.18 1.72 -1.24 -0.74 -1.74 115.58 114.46 3cem h ASN 763 Ca 0.09 0.00 -0.05 0.00 0.71 0.00 0.00 56.30 57.05 3cem h ASN 763 Cb 0.10 -0.21 -0.00 0.00 0.73 0.00 0.00 38.32 38.94 3cem h ASN 763 CO -0.14 0.65 -0.07 -0.03 -1.29 0.00 0.00 177.43 176.54 3cem h MET 764 N 1.13 0.37 -0.80 6.67 4.05 -0.79 -0.25 114.93 125.30 3cem h MET 764 Ca 0.38 -0.16 0.08 0.00 -0.28 0.00 0.00 59.70 59.73 3cem h MET 764 Cb 0.07 -0.01 -0.07 0.00 -0.80 0.00 0.00 31.60 30.79 3cem h MET 764 CO -0.14 0.66 0.46 -0.07 0.23 0.00 0.00 176.91 178.05 3cem h LEU 765 N 0.06 0.68 0.06 3.39 3.38 -0.30 0.90 115.31 123.48 3cem h LEU 765 Ca 0.04 0.04 -0.26 0.00 0.09 0.00 0.00 57.88 57.79 3cem h LEU 765 Cb 0.54 -0.09 -0.02 0.00 0.09 0.00 0.00 40.66 41.18 3cem h LEU 765 CO 0.02 0.41 -1.29 -0.26 0.09 0.00 0.00 178.44 177.41 3cem h PHE 766 N 0.80 0.23 0.00 1.13 -1.00 -1.29 -3.40 116.94 113.42 3cem h PHE 766 Ca 0.37 -0.17 0.00 0.00 2.81 0.00 0.00 57.97 60.98 3cem h PHE 766 Cb 0.29 -0.01 0.00 0.00 3.61 0.00 0.00 35.95 39.85 3cem h PHE 766 CO -0.06 1.17 0.00 0.66 -1.61 0.00 0.00 178.31 178.47 3cem n TYR 767 N -3.38 0.00 -2.64 -0.55 4.02 -0.11 -4.43 117.16 110.07 3cem n TYR 767 Ca -0.08 0.00 0.01 0.00 -0.01 0.00 0.00 57.90 57.81 3cem n TYR 767 Cb 1.00 0.00 0.04 0.00 -0.02 0.00 0.00 39.34 40.36 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 -0.69 0.35 -3.08 -0.72 8.25 0.24 -5.03 115.22 114.55 3cem n HIS 768 Ca 0.00 -1.40 -0.45 0.00 -0.26 0.00 0.00 57.72 55.61 3cem n HIS 768 Cb 0.01 0.06 -0.04 0.00 1.12 0.00 0.00 29.99 31.14 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 -2.66 6.38 0.65 0.41 -1.08 -0.78 -4.86 116.67 114.73 3cem s ASP 769 Ca 0.25 -1.75 0.42 0.00 -0.52 0.00 0.00 52.55 50.96 3cem s ASP 769 Cb 0.33 -2.32 2.25 0.00 -1.46 0.00 0.00 42.92 41.73 3cem s ASP 769 CO -0.09 -1.04 2.32 0.03 0.52 0.00 0.00 175.17 176.90 3cem h ARG 770 N 8.91 0.00 -0.12 4.34 3.08 -1.96 -3.20 114.38 125.43 3cem h ARG 770 Ca -0.12 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.93 3cem h ARG 770 Cb 1.06 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.11 3cem h ARG 770 CO 1.05 0.00 0.00 1.19 -1.07 0.00 0.00 179.97 181.15 3cem n PHE 771 N -3.16 0.16 -3.36 3.04 3.72 -1.26 -5.02 117.46 111.57 3cem n PHE 771 Ca -0.03 -0.27 -0.16 0.00 -0.05 0.00 0.00 57.45 56.94 3cem n PHE 771 Cb 0.10 -0.02 0.08 0.00 -0.94 0.00 0.00 39.48 38.71 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 0.25 -5.43 -0.17 -1.08 5.02 -1.21 -4.70 118.16 110.84 3cem n LYS 772 Ca 0.06 0.84 -0.06 0.00 -2.02 0.00 0.00 58.31 57.13 3cem n LYS 772 Cb 0.27 -5.82 0.03 0.00 -0.02 0.00 0.00 35.03 29.50 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 -1.67 1.06 -0.34 -0.18 2.07 -1.93 -2.87 116.25 112.39 3cem h VAL 773 Ca -0.59 -0.21 -0.09 0.00 0.82 0.00 0.00 66.70 66.64 3cem h VAL 773 Cb 1.33 0.40 -0.02 0.00 -1.52 0.00 0.00 31.29 31.48 3cem h VAL 773 CO 0.48 0.11 -0.16 -0.26 0.02 0.00 0.00 177.57 177.76 3cem h PHE 774 N 0.60 0.68 0.00 1.57 0.05 -1.92 -2.72 116.94 115.20 3cem h PHE 774 Ca 0.20 -0.13 -0.01 0.00 3.82 0.00 0.00 57.97 61.86 3cem h PHE 774 Cb 0.01 -0.17 -0.00 0.00 2.00 0.00 0.00 35.95 37.79 3cem h PHE 774 CO -0.06 0.75 -0.04 0.00 -0.18 0.00 0.00 178.31 178.77 3cem h ALA 775 N 1.27 1.05 -0.01 2.45 0.00 -1.90 -2.55 119.26 119.57 3cem h ALA 775 Ca 0.09 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.97 3cem h ALA 775 Cb 0.60 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.38 3cem h ALA 775 CO 0.04 0.05 -0.52 -0.25 0.00 0.00 0.00 179.25 178.57 3cem n ASP 776 N -3.21 1.20 0.00 0.00 8.00 -1.11 -4.74 116.55 116.69 3cem n ASP 776 Ca -0.01 -1.10 -0.08 0.00 0.71 0.00 0.00 54.79 54.31 3cem n ASP 776 Cb 0.25 0.72 -0.05 0.00 -0.02 0.00 0.00 41.12 42.02 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 0.94 -0.86 -0.62 1.24 3.20 -1.14 -0.27 116.97 119.46 3cem h TYR 777 Ca 0.00 0.03 0.06 0.00 3.14 0.00 0.00 58.73 61.96 3cem h TYR 777 Cb 0.46 0.38 -0.08 0.00 1.54 0.00 0.00 36.73 39.03 3cem h TYR 777 CO 0.00 -0.29 -0.41 1.49 -1.64 0.00 0.00 178.16 177.31 3cem h GLU 778 N -0.32 -0.06 -0.72 1.82 4.81 -1.85 0.22 114.58 118.48 3cem h GLU 778 Ca 0.01 0.00 0.07 0.00 -0.13 0.00 0.00 59.36 59.32 3cem h GLU 778 Cb 0.37 0.01 -0.05 0.00 0.63 0.00 0.00 28.75 29.71 3cem h GLU 778 CO -0.23 -0.04 0.47 0.00 -0.73 0.00 0.00 179.01 178.49 3cem h ALA 779 N -0.04 1.74 -0.18 2.92 0.00 -1.84 -1.04 119.26 120.82 3cem h ALA 779 Ca 0.10 -0.02 -0.12 0.00 0.00 0.00 0.00 54.91 54.87 3cem h ALA 779 Cb 0.32 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 17.93 3cem h ALA 779 CO -0.61 0.14 -0.36 -0.92 0.00 0.00 0.00 179.25 177.50 3cem h TYR 780 N 0.72 0.70 -0.54 0.00 3.20 0.23 -1.40 116.97 119.89 3cem h TYR 780 Ca 0.31 -0.26 -0.04 0.00 3.14 0.00 0.00 58.73 61.89 3cem h TYR 780 Cb 0.30 -0.13 -0.02 0.00 1.54 0.00 0.00 36.73 38.42 3cem h TYR 780 CO -0.00 0.99 0.18 0.28 -1.64 0.00 0.00 178.16 177.97 3cem h VAL 781 N 0.21 1.23 -0.85 1.81 2.07 0.00 0.22 116.25 120.94 3cem h VAL 781 Ca 0.01 -0.77 0.05 0.00 0.82 0.00 0.00 66.70 66.81 3cem h VAL 781 Cb 0.96 0.72 -0.06 0.00 -1.52 0.00 0.00 31.29 31.39 3cem h VAL 781 CO 0.08 0.29 0.54 0.11 0.02 0.00 0.00 177.57 178.60 3cem h LYS 782 N 0.74 0.97 -0.36 1.57 1.57 -1.18 -2.13 116.57 117.76 3cem h LYS 782 Ca 0.17 -0.06 -0.08 0.00 -1.87 0.00 0.00 60.65 58.82 3cem h LYS 782 Cb 0.26 -0.22 -0.01 0.00 0.08 0.00 0.00 32.23 32.34 3cem h LYS 782 CO -0.01 0.64 -0.07 0.00 -0.57 0.00 0.00 179.45 179.44 3cem h GLN 784 N 0.47 0.61 -0.69 0.00 1.08 -0.54 -1.69 115.11 114.36 3cem h GLN 784 Ca 0.09 -0.04 -0.04 0.00 -1.45 0.00 0.00 58.65 57.22 3cem h GLN 784 Cb 0.58 -0.14 -0.03 0.00 -0.05 0.00 0.00 27.48 27.84 3cem h GLN 784 CO 0.03 0.40 0.29 -0.44 -0.95 0.00 0.00 178.83 178.17 3cem h ASP 785 N 0.63 0.94 0.08 1.46 3.32 -0.62 -0.23 116.42 121.99 3cem h ASP 785 Ca 0.60 -0.16 -0.02 0.00 0.02 0.00 0.00 57.03 57.46 3cem h ASP 785 Cb 1.12 -0.24 -0.00 0.00 0.22 0.00 0.00 39.33 40.42 3cem h ASP 785 CO -0.39 0.84 -0.10 0.11 -1.72 0.00 0.00 179.24 177.99 3cem h LYS 786 N 0.97 0.04 -0.05 3.56 1.57 -0.83 -1.46 116.57 120.37 3cem h LYS 786 Ca 0.23 -0.01 -0.13 0.00 -1.87 0.00 0.00 60.65 58.88 3cem h LYS 786 Cb 0.18 -0.01 0.01 0.00 0.08 0.00 0.00 32.23 32.49 3cem h LYS 786 CO -0.02 0.14 -0.47 0.28 -0.57 0.00 0.00 179.45 178.81 3cem h VAL 787 N 0.04 1.42 -0.61 0.50 2.07 -1.02 -1.39 116.25 117.27 3cem h VAL 787 Ca 0.01 -1.91 0.09 0.00 0.82 0.00 0.00 66.70 65.71 3cem h VAL 787 Cb 0.20 2.43 -0.07 0.00 -1.52 0.00 0.00 31.29 32.33 3cem h VAL 787 CO 0.01 0.56 0.24 0.28 0.02 0.00 0.00 177.57 178.68 3cem h SER 788 N -0.09 0.27 0.42 0.57 0.02 -0.54 0.11 113.55 114.32 3cem h SER 788 Ca -0.05 0.07 -0.01 0.00 -0.84 0.00 0.00 61.79 60.97 3cem h SER 788 Cb 1.15 0.04 -0.02 0.00 0.14 0.00 0.00 62.40 63.71 3cem h SER 788 CO 0.10 0.16 -0.42 1.56 -1.14 0.00 0.00 176.83 177.09 3cem h GLN 789 N 0.44 -0.83 -0.70 3.45 4.20 -1.11 -2.40 115.11 118.17 3cem h GLN 789 Ca 0.30 0.06 0.04 0.00 0.06 0.00 0.00 58.65 59.11 3cem h GLN 789 Cb 0.35 0.19 -0.04 0.00 0.30 0.00 0.00 27.48 28.27 3cem h GLN 789 CO -0.28 -0.55 0.46 1.25 -0.67 0.00 0.00 178.83 179.03 3cem h LEU 790 N -0.86 0.69 -0.84 1.46 5.85 -0.95 -2.42 115.31 118.24 3cem h LEU 790 Ca -0.04 -0.00 0.10 0.00 0.84 0.00 0.00 57.88 58.77 3cem h LEU 790 Cb 0.76 -0.15 -0.07 0.00 0.37 0.00 0.00 40.66 41.56 3cem h LEU 790 CO -0.06 0.46 0.48 0.22 -0.34 0.00 0.00 178.44 179.20 3cem h TYR 791 N 0.79 0.87 0.00 1.25 3.20 -0.28 -0.24 116.97 122.57 3cem h TYR 791 Ca 0.29 0.03 0.00 0.00 3.14 0.00 0.00 58.73 62.19 3cem h TYR 791 Cb 0.14 -0.27 0.00 0.00 1.54 0.00 0.00 36.73 38.14 3cem h TYR 791 CO -0.00 0.35 0.09 0.52 -1.64 0.00 0.00 178.16 177.48 3cem h MET 792 N 0.80 0.00 -3.28 1.82 2.86 -1.17 -3.35 114.93 112.61 3cem h MET 792 Ca 0.41 0.00 -0.67 0.00 -2.06 0.00 0.00 59.70 57.38 3cem h MET 792 Cb 0.38 0.00 -0.38 0.00 0.06 0.00 0.00 31.60 31.66 3cem h MET 792 CO -0.25 0.00 -0.33 1.21 1.06 0.00 0.00 176.91 178.59 3cem s ASN 793 N -3.97 5.37 0.38 1.22 3.84 -0.10 -4.98 114.94 116.70 3cem s ASN 793 Ca -0.02 -3.59 0.12 0.00 0.21 0.00 0.00 52.86 49.58 3cem s ASN 793 Cb 0.06 -1.79 0.91 0.00 -0.55 0.00 0.00 41.25 39.88 3cem s ASN 793 CO 0.19 -0.18 1.86 -0.65 -2.79 0.00 0.00 177.10 175.53 3cem h PRO 794 N 5.99 0.57 -0.18 0.43 0.11 -1.77 0.20 132.00 137.36 3cem h PRO 794 Ca 0.11 -0.03 -0.17 0.00 0.11 0.00 0.00 66.00 66.02 3cem h PRO 794 Cb 0.82 -0.13 -0.00 0.00 0.11 0.00 0.00 31.00 31.80 3cem h PRO 794 CO 0.78 0.38 -0.59 -0.22 -0.21 0.00 0.00 178.00 178.13 3cem h LYS 795 N 0.59 0.58 0.00 1.05 3.64 -1.93 -1.01 116.57 119.48 3cem h LYS 795 Ca 0.46 -0.38 -0.16 0.00 -1.27 0.00 0.00 60.65 59.30 3cem h LYS 795 Cb 0.90 0.05 -0.02 0.00 -0.41 0.00 0.00 32.23 32.75 3cem h LYS 795 CO -0.21 1.00 -0.75 0.00 -2.27 0.00 0.00 179.45 177.23 3cem h ALA 796 N 0.91 0.77 -0.15 5.00 0.00 -1.02 -2.46 119.26 122.31 3cem h ALA 796 Ca -0.00 -0.68 -0.13 0.00 0.00 0.00 0.00 54.91 54.10 3cem h ALA 796 Cb 1.15 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.82 3cem h ALA 796 CO 0.11 0.93 -0.42 2.35 0.00 0.00 0.00 179.25 182.22 3cem h TRP 797 N 0.00 0.72 0.00 0.00 2.91 -0.70 -2.50 115.95 116.38 3cem h TRP 797 Ca -0.01 -0.28 -0.10 0.00 1.13 0.00 0.00 58.89 59.63 3cem h TRP 797 Cb 1.32 -0.13 -0.01 0.00 -0.51 0.00 0.00 29.16 29.83 3cem h TRP 797 CO 0.00 1.04 -0.46 -0.91 -1.03 0.00 0.00 178.44 177.08 3cem h ASN 798 N 0.19 0.00 0.22 2.65 2.35 -1.23 -0.62 115.58 119.14 3cem h ASN 798 Ca -0.01 0.00 -0.01 0.00 -0.55 0.00 0.00 56.30 55.73 3cem h ASN 798 Cb 1.04 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.41 3cem h ASN 798 CO 0.09 0.46 -0.11 0.74 -1.65 0.00 0.00 177.43 176.97 3cem h THR 799 N 0.00 0.86 -0.25 2.81 2.02 -1.37 0.16 112.91 117.13 3cem h THR 799 Ca -0.00 -0.52 0.05 0.00 0.77 0.00 0.00 66.41 66.71 3cem h THR 799 Cb 1.10 1.16 -0.05 0.00 -1.74 0.00 0.00 68.15 68.61 3cem h THR 799 CO 0.06 0.12 -0.09 -0.03 0.37 0.00 0.00 175.52 175.95 3cem h MET 800 N -0.56 -0.04 -0.88 6.66 1.85 -1.23 -1.88 114.93 118.84 3cem h MET 800 Ca -0.03 0.00 0.12 0.00 -0.61 0.00 0.00 59.70 59.18 3cem h MET 800 Cb 0.42 0.01 -0.14 0.00 0.43 0.00 0.00 31.60 32.32 3cem h MET 800 CO 0.05 -0.03 -0.44 0.28 -0.40 0.00 0.00 176.91 176.37 3cem h VAL 801 N -0.04 0.03 -0.91 -5.77 2.07 -1.07 -0.83 116.25 109.72 3cem h VAL 801 Ca 0.13 0.00 0.07 0.00 0.82 0.00 0.00 66.70 67.72 3cem h VAL 801 Cb 0.23 0.03 -0.06 0.00 -1.52 0.00 0.00 31.29 29.97 3cem h VAL 801 CO -0.28 0.00 0.59 0.25 0.02 0.00 0.00 177.57 178.15 3cem h LEU 802 N -0.06 0.90 -1.00 2.57 5.85 -0.35 0.36 115.31 123.58 3cem h LEU 802 Ca 0.26 0.01 -0.09 0.00 0.84 0.00 0.00 57.88 58.90 3cem h LEU 802 Cb 0.54 -0.18 -0.01 0.00 0.37 0.00 0.00 40.66 41.38 3cem h LEU 802 CO -0.90 0.56 -0.25 0.11 -0.34 0.00 0.00 178.44 177.63 3cem h LYS 803 N 1.01 0.42 0.48 1.25 1.57 -0.48 0.04 116.57 120.86 3cem h LYS 803 Ca 0.40 -0.15 -0.02 0.00 -1.87 0.00 0.00 60.65 59.01 3cem h LYS 803 Cb 0.25 -0.03 0.00 0.00 0.08 0.00 0.00 32.23 32.54 3cem h LYS 803 CO -0.16 0.64 -0.23 -0.91 -0.57 0.00 0.00 179.45 178.23 3cem h ASN 804 N 0.38 -0.54 -0.55 0.86 -0.26 0.23 -2.31 115.58 113.38 3cem h ASN 804 Ca 0.06 -0.08 0.09 0.00 -0.56 0.00 0.00 56.30 55.81 3cem h ASN 804 Cb 0.64 0.14 -0.07 0.00 -1.06 0.00 0.00 38.32 37.97 3cem h ASN 804 CO 0.05 -0.20 0.16 0.40 -1.06 0.00 0.00 177.43 176.78 3cem h ILE 805 N -0.92 0.75 0.00 2.81 2.04 -0.97 -0.75 117.51 120.46 3cem h ILE 805 Ca -0.07 -0.11 0.00 0.00 1.00 0.00 0.00 64.86 65.68 3cem h ILE 805 Cb 0.59 0.40 0.00 0.00 -0.74 0.00 0.00 36.82 37.07 3cem h ILE 805 CO 0.11 0.06 0.00 0.00 0.00 0.00 0.00 178.15 178.32 3cem h ALA 806 N 1.40 1.00 -0.45 1.87 0.00 -1.03 -2.64 119.26 119.42 3cem h ALA 806 Ca 0.28 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.19 3cem h ALA 806 Cb 0.36 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.15 3cem h ALA 806 CO -0.32 0.00 0.00 0.00 0.00 0.00 0.00 179.25 178.93 3cem n ALA 807 N -2.02 2.42 1.20 0.00 0.00 -0.33 -2.76 120.51 119.01 3cem n ALA 807 Ca -0.00 -1.03 0.13 0.00 0.00 0.00 0.00 53.44 52.54 3cem n ALA 807 Cb 0.20 -0.90 0.40 0.00 0.00 0.00 0.00 19.45 19.15 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 1.45 0.76 -0.34 0.00 3.41 -0.93 -4.13 113.62 113.85 3cem n SER 808 Ca 0.20 -0.63 0.09 0.00 -0.26 0.00 0.00 58.87 58.27 3cem n SER 808 Cb 0.59 0.10 0.20 0.00 -0.26 0.00 0.00 64.21 64.84 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 4.95 0.93 -0.20 5.00 0.00 -1.79 -0.41 103.07 111.55 3cem h GLY 809 Ca 0.00 0.24 0.28 0.00 0.00 0.00 0.00 47.33 47.84 3cem h GLY 809 CO 0.00 -0.42 0.83 1.70 0.00 0.00 0.00 176.54 178.65 3cem h LYS 810 N 0.01 0.00 -0.44 4.80 3.64 -1.87 -2.92 116.57 119.79 3cem h LYS 810 Ca 0.51 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.89 3cem h LYS 810 Cb 0.92 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.74 3cem h LYS 810 CO -0.94 0.00 0.00 1.19 -2.27 0.00 0.00 179.45 177.43 3cem n PHE 811 N -3.84 0.58 -1.99 1.91 3.72 -0.16 -4.75 117.46 112.92 3cem n PHE 811 Ca 0.21 -0.29 -0.42 0.00 -0.05 0.00 0.00 57.45 56.90 3cem n PHE 811 Cb 1.15 0.00 -0.03 0.00 -0.94 0.00 0.00 39.48 39.67 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 -1.26 6.64 0.41 4.37 0.15 -1.10 0.53 113.70 123.43 3cem s SER 812 Ca 0.38 2.64 0.29 0.00 0.70 0.00 0.00 55.95 59.95 3cem s SER 812 Cb 0.20 -2.61 1.20 0.00 -1.71 0.00 0.00 66.02 63.10 3cem s SER 812 CO 0.28 -0.74 1.86 0.77 1.20 0.00 0.00 173.24 176.61 3cem h SER 813 N 5.63 0.00 -0.69 5.45 4.64 -1.16 -1.34 113.55 126.09 3cem h SER 813 Ca -0.45 0.00 0.06 0.00 -0.47 0.00 0.00 61.79 60.93 3cem h SER 813 Cb 1.21 0.00 -0.05 0.00 -0.31 0.00 0.00 62.40 63.25 3cem h SER 813 CO 0.82 0.00 0.39 0.44 -0.87 0.00 0.00 176.83 177.61 3cem h ASP 814 N 0.00 0.59 -0.42 4.97 3.45 -1.91 0.14 116.42 123.25 3cem h ASP 814 Ca 0.00 0.03 -0.05 0.00 0.43 0.00 0.00 57.03 57.44 3cem h ASP 814 Cb 0.42 -0.09 -0.02 0.00 -0.56 0.00 0.00 39.33 39.09 3cem h ASP 814 CO 0.00 0.38 0.07 -0.09 -1.57 0.00 0.00 179.24 178.04 3cem h ARG 815 N 0.73 0.69 -0.33 3.56 1.12 -1.57 -1.19 114.38 117.39 3cem h ARG 815 Ca 0.30 -0.18 -0.01 0.00 -1.11 0.00 0.00 59.98 58.98 3cem h ARG 815 Cb 0.17 -0.08 -0.02 0.00 -0.01 0.00 0.00 29.97 30.04 3cem h ARG 815 CO -0.18 0.72 0.16 1.15 -3.11 0.00 0.00 179.97 178.72 3cem h THR 816 N 0.55 1.16 -0.65 0.20 2.02 -1.24 -2.31 112.91 112.63 3cem h THR 816 Ca 0.13 -0.46 -0.08 0.00 0.77 0.00 0.00 66.41 66.77 3cem h THR 816 Cb 0.37 0.86 -0.03 0.00 -1.74 0.00 0.00 68.15 67.61 3cem h THR 816 CO 0.01 0.17 0.11 0.40 0.37 0.00 0.00 175.52 176.57 3cem h ILE 817 N 0.40 1.26 -0.78 3.11 1.08 -0.62 -1.37 117.51 120.58 3cem h ILE 817 Ca 0.11 -1.02 0.14 0.00 -0.39 0.00 0.00 64.86 63.71 3cem h ILE 817 Cb 0.12 0.64 -0.09 0.00 -3.07 0.00 0.00 36.82 34.42 3cem h ILE 817 CO -0.01 0.38 0.35 0.11 -0.69 0.00 0.00 178.15 178.28 3cem h LYS 818 N 1.00 0.49 -0.23 2.37 1.57 -1.01 0.88 116.57 121.64 3cem h LYS 818 Ca 0.20 -0.03 -0.07 0.00 -1.87 0.00 0.00 60.65 58.88 3cem h LYS 818 Cb 0.43 -0.11 -0.01 0.00 0.08 0.00 0.00 32.23 32.62 3cem h LYS 818 CO 0.01 0.32 -0.12 0.93 -0.57 0.00 0.00 179.45 180.03 3cem h GLU 819 N 0.51 0.49 -0.66 3.15 5.08 -0.72 -1.20 114.58 121.23 3cem h GLU 819 Ca 0.42 -0.22 0.03 0.00 -1.00 0.00 0.00 59.36 58.60 3cem h GLU 819 Cb 0.62 -0.01 -0.04 0.00 0.50 0.00 0.00 28.75 29.81 3cem h GLU 819 CO -0.38 0.76 0.40 1.88 -1.00 0.00 0.00 179.01 180.68 3cem h TYR 820 N 0.21 0.75 -1.00 4.33 0.05 -1.14 -0.72 116.97 119.44 3cem h TYR 820 Ca 0.05 0.02 0.04 0.00 0.05 0.00 0.00 58.73 58.89 3cem h TYR 820 Cb 0.62 -0.24 -0.06 0.00 1.01 0.00 0.00 36.73 38.06 3cem h TYR 820 CO 0.06 0.42 0.66 0.00 -1.05 0.00 0.00 178.16 178.25 3cem h ALA 821 N 1.29 1.33 0.04 3.88 0.00 -0.58 -0.70 119.26 124.52 3cem h ALA 821 Ca 0.27 -0.05 -0.30 0.00 0.00 0.00 0.00 54.91 54.83 3cem h ALA 821 Cb 0.04 -0.36 -0.04 0.00 0.00 0.00 0.00 17.79 17.43 3cem h ALA 821 CO -0.11 0.56 -1.69 0.37 0.00 0.00 0.00 179.25 178.38 3cem h GLN 822 N 1.28 0.08 0.00 0.00 4.15 -0.94 -0.41 115.11 119.26 3cem h GLN 822 Ca 0.40 -0.14 0.00 0.00 0.77 0.00 0.00 58.65 59.68 3cem h GLN 822 Cb -0.01 0.05 0.00 0.00 0.21 0.00 0.00 27.48 27.73 3cem h GLN 822 CO -0.12 0.74 -1.21 0.09 -1.93 0.00 0.00 178.83 176.40 3cem n ASN 823 N -3.20 1.15 0.04 -0.69 3.02 -0.30 -4.55 115.26 110.72 3cem n ASN 823 Ca -0.18 -0.40 0.00 0.00 -0.03 0.00 0.00 54.58 53.96 3cem n ASN 823 Cb 1.04 1.36 0.00 0.00 -0.61 0.00 0.00 39.78 41.57 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 -1.70 0.68 0.13 2.41 5.41 -0.57 -4.89 119.36 120.83 3cem n ILE 824 Ca -0.00 0.22 0.08 0.00 1.00 0.00 0.00 62.75 64.05 3cem n ILE 824 Cb 0.31 -1.44 0.04 0.00 -0.71 0.00 0.00 39.64 37.84 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 -5.89 1.39 6.55 -1.30 -3.49 115.95 113.21 3cem h TRP 825 Ca 0.00 0.00 -0.37 0.00 0.95 0.00 0.00 58.89 59.47 3cem h TRP 825 Cb 0.35 0.00 0.11 0.00 -0.86 0.00 0.00 29.16 28.76 3cem h TRP 825 CO 0.00 0.18 -0.85 -1.71 -1.05 0.00 0.00 178.44 175.02 3cem n ASN 826 N -2.93 -3.32 -4.30 -3.49 5.15 -0.24 -4.91 115.26 101.22 3cem n ASN 826 Ca -0.00 -0.80 -0.16 0.00 -0.60 0.00 0.00 54.58 53.02 3cem n ASN 826 Cb 0.62 -4.38 -0.10 0.00 -0.53 0.00 0.00 39.78 35.39 3cem n ASN 826 CO 0.00 0.00 0.00 0.68 1.40 0.00 0.00 177.26 179.34 3cem s VAL 827 N -3.52 1.41 -0.06 3.44 -7.23 -0.75 -4.96 120.40 108.73 3cem s VAL 827 Ca 0.19 -2.12 0.04 0.00 -1.81 0.00 0.00 61.98 58.28 3cem s VAL 827 Cb -0.04 -1.98 -0.02 0.00 0.56 0.00 0.00 36.38 34.89 3cem s VAL 827 CO 0.79 -0.64 -0.17 -1.61 -0.31 0.00 0.00 175.10 173.16 3cem s GLU 828 N -3.71 2.60 0.18 4.82 2.02 -1.26 -4.41 118.70 118.94 3cem s GLU 828 Ca 0.20 -0.75 -0.33 0.00 0.02 0.00 0.00 54.97 54.11 3cem s GLU 828 Cb 0.01 -2.35 -0.14 0.00 0.10 0.00 0.00 34.13 31.76 3cem s GLU 828 CO 0.04 0.52 1.49 -2.30 0.02 0.00 0.00 175.26 175.03 3cem n PRO 829 N 2.60 2.02 0.00 0.39 -0.02 -1.26 -4.72 135.00 134.00 3cem n PRO 829 Ca -0.17 0.72 0.00 0.00 -2.02 0.00 0.00 63.50 62.03 3cem n PRO 829 Cb 0.52 -2.44 0.00 0.00 -0.02 0.00 0.00 33.50 31.56 3cem n PRO 829 CO 0.00 0.00 0.00 0.43 1.98 0.00 0.00 175.50 177.91 3cem n SER 830 N 2.85 0.00 -0.49 2.55 7.64 -0.66 -5.02 113.62 120.49 3cem n SER 830 Ca 0.15 0.00 0.06 0.00 1.01 0.00 0.00 58.87 60.09 3cem n SER 830 Cb 0.29 0.00 0.05 0.00 -1.01 0.00 0.00 64.21 63.54 3cem n SER 830 CO 0.00 0.00 0.00 -0.90 -3.01 0.00 0.00 175.04 171.13