#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3pfl s GLU 2 N 0.00 4.39 0.06 1.43 0.41 -1.26 -5.01 118.70 118.71 3pfl s GLU 2 Ca 0.00 1.86 -0.31 0.00 -0.41 0.00 0.00 54.97 56.11 3pfl s GLU 2 Cb 0.00 -3.35 -0.06 0.00 -1.78 0.00 0.00 34.13 28.94 3pfl s GLU 2 CO 0.00 -0.34 1.22 -0.51 -0.49 0.00 0.00 175.26 175.14 3pfl s LEU 3 N 1.24 4.36 -0.03 1.80 1.43 -1.26 -4.93 118.68 121.29 3pfl s LEU 3 Ca 0.60 2.02 -0.39 0.00 -1.03 0.00 0.00 54.13 55.34 3pfl s LEU 3 Cb -0.31 -3.58 -0.18 0.00 0.03 0.00 0.00 46.19 42.15 3pfl s LEU 3 CO 0.29 -0.50 1.32 -3.20 0.23 0.00 0.00 176.35 174.49 3pfl n ASN 4 N 4.05 1.14 -0.36 2.29 5.15 -1.26 -4.50 115.26 121.78 3pfl n ASN 4 Ca 0.09 1.13 -0.04 0.00 -0.60 0.00 0.00 54.58 55.16 3pfl n ASN 4 Cb 0.46 -1.07 -0.01 0.00 -0.53 0.00 0.00 39.78 38.63 3pfl n ASN 4 CO 0.00 0.00 0.00 -1.84 1.40 0.00 0.00 177.26 176.82 3pfl n GLU 5 N 2.63 -0.29 -0.33 1.20 0.28 -1.26 0.15 120.64 123.03 3pfl n GLU 5 Ca 0.21 1.39 0.20 0.00 -0.16 0.00 0.00 57.16 58.79 3pfl n GLU 5 Cb 0.13 -2.05 0.41 0.00 1.43 0.00 0.00 31.44 31.35 3pfl n GLU 5 CO 0.00 0.00 0.00 0.87 -0.16 0.00 0.00 177.13 177.84 3pfl h LYS 6 N 0.00 0.34 0.14 3.44 1.57 -2.00 0.63 116.57 120.70 3pfl h LYS 6 Ca 0.25 -0.02 -0.01 0.00 -1.87 0.00 0.00 60.65 59.00 3pfl h LYS 6 Cb 0.48 -0.08 0.00 0.00 0.08 0.00 0.00 32.23 32.71 3pfl h LYS 6 CO -0.88 0.23 -0.07 -0.07 -0.57 0.00 0.00 179.45 178.09 3pfl h LEU 7 N 0.35 -0.16 -1.63 2.94 3.38 -0.61 -2.74 115.31 116.84 3pfl h LEU 7 Ca 0.67 -0.31 0.12 0.00 0.09 0.00 0.00 57.88 58.44 3pfl h LEU 7 Cb 1.42 0.04 -0.04 0.00 0.09 0.00 0.00 40.66 42.17 3pfl h LEU 7 CO -0.59 0.25 0.43 0.00 0.09 0.00 0.00 178.44 178.62 3pfl h ALA 8 N 0.18 2.06 0.35 1.53 0.00 -0.40 -0.82 119.26 122.17 3pfl h ALA 8 Ca -0.02 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.87 3pfl h ALA 8 Cb 0.45 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.18 3pfl h ALA 8 CO 0.03 -0.22 -0.17 1.15 0.00 0.00 0.00 179.25 180.04 3pfl h THR 9 N 0.40 0.00 -0.21 0.00 2.02 -0.98 -2.87 112.91 111.26 3pfl h THR 9 Ca 0.30 -0.59 0.06 0.00 0.77 0.00 0.00 66.41 66.95 3pfl h THR 9 Cb 0.65 0.00 -0.01 0.00 -1.74 0.00 0.00 68.15 67.06 3pfl h THR 9 CO -0.09 0.00 0.23 0.00 0.37 0.00 0.00 175.52 176.03 3pfl h ALA 10 N -1.19 1.86 -0.57 6.16 0.00 -1.35 -0.09 119.26 124.09 3pfl h ALA 10 Ca -0.05 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.85 3pfl h ALA 10 Cb 0.36 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.17 3pfl h ALA 10 CO 0.08 -0.34 0.00 0.91 0.00 0.00 0.00 179.25 179.90 3pfl n TRP 11 N -3.82 1.14 -1.68 0.00 8.01 -0.33 -4.78 117.44 115.98 3pfl n TRP 11 Ca 0.02 -0.48 -0.48 0.00 -1.31 0.00 0.00 57.50 55.26 3pfl n TRP 11 Cb 0.36 -0.16 -0.05 0.00 -2.01 0.00 0.00 31.31 29.46 3pfl n TRP 11 CO 0.00 0.00 0.00 -1.91 -1.01 0.00 0.00 177.69 174.77 3pfl n GLU 12 N 1.02 2.20 -0.00 -0.99 4.07 -0.05 -1.46 120.64 125.43 3pfl n GLU 12 Ca 0.21 0.81 0.00 0.00 -0.06 0.00 0.00 57.16 58.12 3pfl n GLU 12 Cb 0.70 -2.65 0.00 0.00 -0.06 0.00 0.00 31.44 29.43 3pfl n GLU 12 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 3pfl n GLY 13 N 4.31 0.91 3.78 8.31 0.00 -1.26 -5.05 105.19 116.19 3pfl n GLY 13 Ca 0.22 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.87 3pfl n GLY 13 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3pfl s PHE 14 N -2.30 3.73 0.30 1.61 0.08 -0.54 -5.02 117.98 115.84 3pfl s PHE 14 Ca 0.00 1.75 -0.29 0.00 0.12 0.00 0.00 56.93 58.51 3pfl s PHE 14 Cb 0.00 -2.89 -0.10 0.00 -0.57 0.00 0.00 43.02 39.46 3pfl s PHE 14 CO 0.00 0.27 1.23 0.99 -0.10 0.00 0.00 175.22 177.61 3pfl s THR 15 N -1.53 3.06 0.81 0.64 2.01 -1.26 -5.01 115.64 114.35 3pfl s THR 15 Ca 0.48 1.04 -0.11 0.00 0.31 0.00 0.00 61.69 63.41 3pfl s THR 15 Cb -0.19 -3.66 0.08 0.00 0.01 0.00 0.00 72.50 68.73 3pfl s THR 15 CO 0.24 0.24 1.10 -0.54 -0.69 0.00 0.00 174.62 174.97 3pfl s LYS 16 N -1.47 1.92 0.00 4.92 1.02 -1.26 -4.89 119.74 119.97 3pfl s LYS 16 Ca 0.48 1.17 0.00 0.00 0.02 0.00 0.00 55.97 57.64 3pfl s LYS 16 Cb -0.36 -1.86 0.00 0.00 -0.52 0.00 0.00 37.83 35.09 3pfl s LYS 16 CO 0.47 -1.88 0.00 0.41 -0.92 0.00 0.00 175.35 173.43 3pfl n GLY 17 N -0.99 0.30 0.35 -3.33 0.00 -1.26 -4.96 105.19 95.30 3pfl n GLY 17 Ca 0.09 -0.98 0.18 0.00 0.00 0.00 0.00 46.02 45.30 3pfl n GLY 17 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 3pfl h ASP 18 N 0.00 0.00 0.00 1.61 3.32 -1.96 -2.01 116.42 117.37 3pfl h ASP 18 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 3pfl h ASP 18 Cb 0.00 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.55 3pfl h ASP 18 CO 0.00 0.00 0.38 4.11 -1.72 0.00 0.00 179.24 182.01 3pfl h TRP 19 N 0.00 0.00 0.00 4.55 5.08 -1.81 0.48 115.95 124.25 3pfl h TRP 19 Ca 0.19 0.00 0.00 0.00 1.08 0.00 0.00 58.89 60.16 3pfl h TRP 19 Cb 0.79 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 26.95 3pfl h TRP 19 CO 0.00 0.00 -0.62 1.04 -1.28 0.00 0.00 178.44 177.58 3pfl n GLN 20 N -2.48 0.16 -0.00 0.12 6.02 -0.76 -4.12 117.38 116.33 3pfl n GLN 20 Ca -0.01 0.04 0.05 0.00 -0.01 0.00 0.00 57.00 57.06 3pfl n GLN 20 Cb 0.41 -1.59 -0.06 0.00 1.02 0.00 0.00 30.24 30.03 3pfl n GLN 20 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 177.06 176.14 3pfl n ASN 21 N -1.82 0.87 -3.68 1.08 3.02 0.16 -5.04 115.26 109.86 3pfl n ASN 21 Ca 0.04 -0.59 -0.12 0.00 -0.03 0.00 0.00 54.58 53.88 3pfl n ASN 21 Cb 0.39 1.08 -0.06 0.00 -0.61 0.00 0.00 39.78 40.59 3pfl n ASN 21 CO 0.00 0.00 0.00 -1.83 -2.62 0.00 0.00 177.26 172.81 3pfl s GLU 22 N -2.04 1.66 -0.43 3.52 -1.05 -0.79 -5.10 118.70 114.46 3pfl s GLU 22 Ca 0.02 -1.57 -0.25 0.00 -0.15 0.00 0.00 54.97 53.02 3pfl s GLU 22 Cb 0.07 0.42 0.02 0.00 -0.44 0.00 0.00 34.13 34.20 3pfl s GLU 22 CO 0.39 -0.67 0.91 0.08 0.95 0.00 0.00 175.26 176.93 3pfl s VAL 23 N -3.59 4.52 -0.43 1.83 1.01 -1.26 -4.52 120.40 117.95 3pfl s VAL 23 Ca 0.29 0.86 0.06 0.00 0.00 0.00 0.00 61.98 63.19 3pfl s VAL 23 Cb 0.01 -4.39 0.18 0.00 0.00 0.00 0.00 36.38 32.17 3pfl s VAL 23 CO 0.15 -0.74 0.57 0.21 0.00 0.00 0.00 175.10 175.29 3pfl s ASN 24 N 2.14 -0.60 0.23 3.32 3.84 -1.26 -5.01 114.94 117.59 3pfl s ASN 24 Ca 0.37 -1.38 -0.02 0.00 0.21 0.00 0.00 52.86 52.04 3pfl s ASN 24 Cb -0.11 1.42 0.23 0.00 -0.55 0.00 0.00 41.25 42.24 3pfl s ASN 24 CO 0.24 -0.16 1.62 0.58 -2.79 0.00 0.00 177.10 176.59 3pfl h VAL 25 N 4.98 1.28 -0.40 -5.21 2.07 -1.93 -2.93 116.25 114.11 3pfl h VAL 25 Ca 0.07 -1.43 0.03 0.00 0.82 0.00 0.00 66.70 66.19 3pfl h VAL 25 Cb 1.11 1.39 -0.03 0.00 -1.52 0.00 0.00 31.29 32.24 3pfl h VAL 25 CO 0.12 0.46 0.20 -0.09 0.02 0.00 0.00 177.57 178.29 3pfl h ARG 26 N 0.54 0.39 -0.31 1.57 1.12 -1.97 -1.41 114.38 114.33 3pfl h ARG 26 Ca 0.06 -0.02 -0.01 0.00 -1.11 0.00 0.00 59.98 58.90 3pfl h ARG 26 Cb 0.80 -0.09 -0.01 0.00 -0.01 0.00 0.00 29.97 30.66 3pfl h ARG 26 CO 0.07 0.26 0.17 0.22 -3.11 0.00 0.00 179.97 177.58 3pfl h ASP 27 N 0.41 0.38 -0.44 -3.80 3.58 -1.97 -0.66 116.42 113.91 3pfl h ASP 27 Ca 0.17 -0.08 0.07 0.00 0.42 0.00 0.00 57.03 57.60 3pfl h ASP 27 Cb 0.07 -0.10 -0.06 0.00 1.72 0.00 0.00 39.33 40.97 3pfl h ASP 27 CO -0.12 0.36 0.12 0.15 -2.88 0.00 0.00 179.24 176.87 3pfl h PHE 28 N 0.38 0.20 0.24 0.28 3.57 -1.29 0.15 116.94 120.47 3pfl h PHE 28 Ca 0.11 0.03 -0.01 0.00 3.53 0.00 0.00 57.97 61.62 3pfl h PHE 28 Cb 0.06 -0.02 -0.00 0.00 2.79 0.00 0.00 35.95 38.78 3pfl h PHE 28 CO -0.03 0.04 -0.13 0.82 -2.23 0.00 0.00 178.31 176.78 3pfl h ILE 29 N 0.26 0.72 -0.74 1.41 2.04 -0.95 -2.18 117.51 118.08 3pfl h ILE 29 Ca 0.21 0.00 0.14 0.00 1.00 0.00 0.00 64.86 66.21 3pfl h ILE 29 Cb 0.25 0.72 -0.09 0.00 -0.74 0.00 0.00 36.82 36.96 3pfl h ILE 29 CO -0.26 0.00 0.29 1.56 0.00 0.00 0.00 178.15 179.75 3pfl h GLN 30 N -0.35 0.43 -0.00 2.37 1.08 -0.38 0.35 115.11 118.60 3pfl h GLN 30 Ca -0.03 -0.03 0.00 0.00 -1.45 0.00 0.00 58.65 57.15 3pfl h GLN 30 Cb 0.28 -0.10 0.00 0.00 -0.05 0.00 0.00 27.48 27.62 3pfl h GLN 30 CO 0.04 0.28 -0.03 1.63 -0.95 0.00 0.00 178.83 179.80 3pfl n LYS 31 N -5.00 0.41 0.00 1.46 4.76 -0.03 -4.48 118.16 115.28 3pfl n LYS 31 Ca 0.14 -0.03 0.00 0.00 -2.87 0.00 0.00 58.31 55.55 3pfl n LYS 31 Cb 0.40 -1.50 0.00 0.00 -1.84 0.00 0.00 35.03 32.09 3pfl n LYS 31 CO 0.00 0.00 0.00 0.09 -1.37 0.00 0.00 177.40 176.12 3pfl n ASN 32 N -1.27 2.20 -4.75 4.39 3.02 -0.59 -4.47 115.26 113.78 3pfl n ASN 32 Ca 0.13 0.00 -0.35 0.00 -0.03 0.00 0.00 54.58 54.33 3pfl n ASN 32 Cb 0.26 0.26 0.04 0.00 -0.61 0.00 0.00 39.78 39.74 3pfl n ASN 32 CO 0.00 0.00 0.00 -0.72 -2.62 0.00 0.00 177.26 173.92 3pfl s TYR 33 N -1.33 2.36 -0.25 3.10 1.13 0.01 -4.90 117.35 117.47 3pfl s TYR 33 Ca 0.00 1.53 -0.02 0.00 -1.41 0.00 0.00 57.07 57.17 3pfl s TYR 33 Cb 0.00 -3.46 0.02 0.00 -1.10 0.00 0.00 41.96 37.43 3pfl s TYR 33 CO 0.00 -2.23 -0.05 0.95 -2.51 0.00 0.00 175.55 171.70 3pfl s THR 34 N -1.71 2.93 0.62 -3.49 -4.23 -1.26 -5.00 115.64 103.49 3pfl s THR 34 Ca 0.76 -1.01 -0.19 0.00 -1.18 0.00 0.00 61.69 60.07 3pfl s THR 34 Cb -0.29 -2.49 -0.03 0.00 1.34 0.00 0.00 72.50 71.03 3pfl s THR 34 CO 0.35 0.19 1.24 -2.65 -0.54 0.00 0.00 174.62 173.22 3pfl n PRO 35 N 4.68 1.19 -4.40 3.99 -0.02 -1.26 -4.74 135.00 134.44 3pfl n PRO 35 Ca -0.16 0.46 -0.22 0.00 -2.02 0.00 0.00 63.50 61.56 3pfl n PRO 35 Cb 0.47 -2.46 -0.16 0.00 -0.02 0.00 0.00 33.50 31.33 3pfl n PRO 35 CO 0.00 0.00 0.00 -0.47 1.98 0.00 0.00 175.50 177.01 3pfl s TYR 36 N -1.39 1.06 0.00 6.00 5.04 -0.75 -4.98 117.35 122.34 3pfl s TYR 36 Ca 0.79 -0.33 0.00 0.00 -2.44 0.00 0.00 57.07 55.09 3pfl s TYR 36 Cb -0.40 -0.81 0.00 0.00 0.35 0.00 0.00 41.96 41.11 3pfl s TYR 36 CO 0.44 -0.18 0.71 0.39 -1.34 0.00 0.00 175.55 175.56 3pfl n GLU 37 N 3.68 1.05 0.00 4.97 1.02 -1.26 -4.58 120.64 125.52 3pfl n GLU 37 Ca -0.22 -0.94 0.00 0.00 -0.02 0.00 0.00 57.16 55.98 3pfl n GLU 37 Cb 0.52 -0.93 0.00 0.00 -0.02 0.00 0.00 31.44 31.02 3pfl n GLU 37 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3pfl n GLY 38 N -0.24 -1.81 0.00 0.62 0.00 -1.26 -4.64 105.19 97.86 3pfl n GLY 38 Ca 0.00 -1.47 0.00 0.00 0.00 0.00 0.00 46.02 44.55 3pfl n GLY 38 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3pfl n ASP 39 N -0.42 1.84 0.00 1.61 5.68 -1.26 -4.49 116.55 119.52 3pfl n ASP 39 Ca 0.00 -0.90 0.12 0.00 -0.50 0.00 0.00 54.79 53.51 3pfl n ASP 39 Cb 0.00 0.00 0.57 0.00 -1.14 0.00 0.00 41.12 40.55 3pfl n ASP 39 CO 0.00 0.00 0.00 -0.62 -1.33 0.00 0.00 177.20 175.25 3pfl n GLU 40 N -0.07 0.20 -0.53 0.11 4.71 -1.26 -4.18 120.64 119.61 3pfl n GLU 40 Ca 0.00 0.07 0.42 0.00 -0.01 0.00 0.00 57.16 57.64 3pfl n GLU 40 Cb 0.00 -1.50 0.67 0.00 -1.01 0.00 0.00 31.44 29.60 3pfl n GLU 40 CO 0.00 0.00 0.00 0.45 0.09 0.00 0.00 177.13 177.67 3pfl n SER 41 N -1.38 0.10 0.10 1.62 2.88 -1.26 -0.69 113.62 114.99 3pfl n SER 41 Ca 0.09 1.07 0.03 0.00 -1.33 0.00 0.00 58.87 58.73 3pfl n SER 41 Cb 0.23 -0.53 -0.01 0.00 -0.75 0.00 0.00 64.21 63.15 3pfl n SER 41 CO 0.00 0.00 0.00 2.19 -1.23 0.00 0.00 175.04 176.00 3pfl h PHE 42 N 0.00 0.00 -1.50 0.66 -0.00 -2.03 -3.47 116.94 110.60 3pfl h PHE 42 Ca 0.82 0.00 -0.69 0.00 -0.00 0.00 0.00 57.97 58.10 3pfl h PHE 42 Cb 2.97 0.00 0.08 0.00 -0.00 0.00 0.00 35.95 39.00 3pfl h PHE 42 CO -0.00 0.47 0.06 1.28 -0.00 0.00 0.00 178.31 180.12 3pfl n LEU 43 N -3.06 0.57 -5.00 2.10 4.77 0.13 -4.99 117.00 111.53 3pfl n LEU 43 Ca -0.02 1.14 -0.18 0.00 -0.03 0.00 0.00 56.01 56.92 3pfl n LEU 43 Cb 0.75 -1.08 0.01 0.00 -2.33 0.00 0.00 43.42 40.76 3pfl n LEU 43 CO 0.41 -1.79 0.14 0.00 -1.33 0.00 0.00 177.39 174.82 3pfl s ALA 44 N -0.29 4.34 0.58 -1.18 0.00 -1.26 -5.11 121.76 118.85 3pfl s ALA 44 Ca 0.76 -1.54 0.05 0.00 0.00 0.00 0.00 51.96 51.24 3pfl s ALA 44 Cb -0.98 -1.70 0.08 0.00 0.00 0.00 0.00 23.12 20.51 3pfl s ALA 44 CO 0.54 -0.23 0.80 0.20 0.00 0.00 0.00 175.76 177.08 3pfl s GLY 45 N -4.28 1.79 0.48 0.00 0.00 -1.26 -4.96 107.32 99.09 3pfl s GLY 45 Ca 0.51 -1.81 -0.23 0.00 0.00 0.00 0.00 44.72 43.19 3pfl s GLY 45 CO 0.33 -1.40 1.26 0.00 0.00 0.00 0.00 173.10 173.29 3pfl s ALA 46 N -2.75 2.97 0.66 3.20 0.00 -1.26 -4.89 121.76 119.68 3pfl s ALA 46 Ca 0.61 1.14 -0.05 0.00 0.00 0.00 0.00 51.96 53.66 3pfl s ALA 46 Cb -0.07 -3.47 0.05 0.00 0.00 0.00 0.00 23.12 19.63 3pfl s ALA 46 CO 0.39 -0.95 0.95 0.95 0.00 0.00 0.00 175.76 177.10 3pfl s THR 47 N -1.40 2.60 0.32 0.00 -4.23 -1.26 -4.94 115.64 106.73 3pfl s THR 47 Ca 0.65 -0.28 0.15 0.00 -1.18 0.00 0.00 61.69 61.02 3pfl s THR 47 Cb -0.35 -3.09 0.10 0.00 1.34 0.00 0.00 72.50 70.50 3pfl s THR 47 CO 0.42 -0.09 1.79 -0.08 -0.54 0.00 0.00 174.62 176.13 3pfl h GLU 48 N -0.41 0.00 -0.36 3.99 4.81 -2.00 -2.52 114.58 118.09 3pfl h GLU 48 Ca -0.44 0.00 -0.09 0.00 -0.13 0.00 0.00 59.36 58.70 3pfl h GLU 48 Cb 1.30 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 30.67 3pfl h GLU 48 CO 0.59 0.40 -0.12 0.00 -0.73 0.00 0.00 179.01 179.15 3pfl h ALA 49 N 1.60 0.50 0.56 2.92 0.00 -1.93 -1.75 119.26 121.16 3pfl h ALA 49 Ca -0.00 -0.32 -0.02 0.00 0.00 0.00 0.00 54.91 54.56 3pfl h ALA 49 Cb 0.75 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.41 3pfl h ALA 49 CO 0.05 0.38 -0.37 1.15 0.00 0.00 0.00 179.25 180.46 3pfl h THR 50 N 0.51 0.24 -0.94 0.00 2.02 -1.82 -0.39 112.91 112.54 3pfl h THR 50 Ca 0.09 0.00 0.05 0.00 0.77 0.00 0.00 66.41 67.32 3pfl h THR 50 Cb 0.64 0.24 -0.06 0.00 -1.74 0.00 0.00 68.15 67.23 3pfl h THR 50 CO 0.04 0.00 0.60 0.74 0.37 0.00 0.00 175.52 177.28 3pfl h THR 51 N -0.89 1.12 -0.25 3.16 2.02 -1.49 0.31 112.91 116.89 3pfl h THR 51 Ca -0.06 -0.39 -0.02 0.00 0.77 0.00 0.00 66.41 66.71 3pfl h THR 51 Cb 0.74 -0.12 -0.01 0.00 -1.74 0.00 0.00 68.15 67.01 3pfl h THR 51 CO 0.05 0.21 0.09 0.74 0.37 0.00 0.00 175.52 176.97 3pfl h THR 52 N 1.14 1.18 -0.09 3.16 2.02 -1.17 -0.79 112.91 118.35 3pfl h THR 52 Ca 0.39 -0.56 -0.01 0.00 0.77 0.00 0.00 66.41 67.00 3pfl h THR 52 Cb 0.08 1.09 -0.00 0.00 -1.74 0.00 0.00 68.15 67.58 3pfl h THR 52 CO -0.15 0.19 0.04 -0.07 0.37 0.00 0.00 175.52 175.90 3pfl h LEU 53 N 0.24 0.13 -0.20 2.58 3.38 -0.38 -2.54 115.31 118.51 3pfl h LEU 53 Ca 0.08 -0.16 -0.00 0.00 0.09 0.00 0.00 57.88 57.89 3pfl h LEU 53 Cb 0.21 -0.03 -0.01 0.00 0.09 0.00 0.00 40.66 40.91 3pfl h LEU 53 CO -0.00 0.26 0.12 -0.25 0.09 0.00 0.00 178.44 178.65 3pfl h TRP 54 N -0.00 0.27 -0.89 1.13 -0.00 -0.35 -2.07 115.95 114.04 3pfl h TRP 54 Ca 0.03 -0.00 0.06 0.00 -0.00 0.00 0.00 58.89 58.98 3pfl h TRP 54 Cb 0.17 -0.09 -0.06 0.00 -0.00 0.00 0.00 29.16 29.18 3pfl h TRP 54 CO -0.02 0.22 0.58 -0.44 -0.00 0.00 0.00 178.44 178.78 3pfl h ASP 55 N 0.23 0.90 -0.44 2.65 3.32 -1.14 0.23 116.42 122.18 3pfl h ASP 55 Ca 0.07 0.00 -0.02 0.00 0.02 0.00 0.00 57.03 57.10 3pfl h ASP 55 Cb 0.03 -0.19 -0.02 0.00 0.22 0.00 0.00 39.33 39.37 3pfl h ASP 55 CO -0.01 0.59 0.19 0.50 -1.72 0.00 0.00 179.24 178.79 3pfl h LYS 56 N 1.02 0.64 -0.49 3.56 1.63 -1.12 -2.50 116.57 119.31 3pfl h LYS 56 Ca 0.37 -0.10 -0.07 0.00 -0.85 0.00 0.00 60.65 60.00 3pfl h LYS 56 Cb 0.16 -0.11 -0.02 0.00 -0.60 0.00 0.00 32.23 31.66 3pfl h LYS 56 CO -0.13 0.57 0.02 0.28 -3.45 0.00 0.00 179.45 176.73 3pfl h VAL 57 N 0.56 1.24 -0.26 2.00 2.07 -0.47 -2.53 116.25 118.86 3pfl h VAL 57 Ca 0.15 -0.98 0.03 0.00 0.82 0.00 0.00 66.70 66.71 3pfl h VAL 57 Cb 0.15 0.84 -0.01 0.00 -1.52 0.00 0.00 31.29 30.75 3pfl h VAL 57 CO -0.02 0.35 0.18 0.24 0.02 0.00 0.00 177.57 178.34 3pfl h MET 58 N 0.76 0.24 -0.80 1.57 2.86 -0.17 -0.77 114.93 118.63 3pfl h MET 58 Ca 0.15 -0.01 0.05 0.00 -2.06 0.00 0.00 59.70 57.83 3pfl h MET 58 Cb 0.43 -0.05 -0.06 0.00 0.06 0.00 0.00 31.60 31.98 3pfl h MET 58 CO 0.02 0.16 0.49 0.93 1.06 0.00 0.00 176.91 179.57 3pfl h GLU 59 N 0.25 0.89 -0.22 1.72 4.39 -1.19 0.12 114.58 120.55 3pfl h GLU 59 Ca 0.11 -0.05 -0.13 0.00 0.34 0.00 0.00 59.36 59.63 3pfl h GLU 59 Cb 0.12 -0.20 -0.01 0.00 -0.10 0.00 0.00 28.75 28.56 3pfl h GLU 59 CO -0.02 0.59 -0.40 0.78 -1.16 0.00 0.00 179.01 178.80 3pfl h GLY 60 N 0.92 0.56 1.35 -3.84 0.00 -1.24 -2.77 103.07 98.04 3pfl h GLY 60 Ca 0.34 -0.55 -0.08 0.00 0.00 0.00 0.00 47.33 47.04 3pfl h GLY 60 CO -0.15 0.50 -0.04 -2.08 0.00 0.00 0.00 176.54 174.76 3pfl h VAL 61 N 0.43 1.25 -0.35 4.60 2.07 -0.38 -1.84 116.25 122.02 3pfl h VAL 61 Ca 0.04 -1.06 -0.10 0.00 0.82 0.00 0.00 66.70 66.39 3pfl h VAL 61 Cb 0.88 0.94 -0.02 0.00 -1.52 0.00 0.00 31.29 31.58 3pfl h VAL 61 CO 0.08 0.37 -0.19 0.11 0.02 0.00 0.00 177.57 177.96 3pfl h LYS 62 N 0.73 0.66 -0.40 1.57 1.57 -0.73 -1.58 116.57 118.39 3pfl h LYS 62 Ca 0.14 -0.24 -0.05 0.00 -1.87 0.00 0.00 60.65 58.63 3pfl h LYS 62 Cb 0.50 -0.04 -0.02 0.00 0.08 0.00 0.00 32.23 32.75 3pfl h LYS 62 CO 0.03 0.81 0.06 1.25 -0.57 0.00 0.00 179.45 181.03 3pfl h LEU 63 N 0.59 0.64 0.34 2.94 5.85 -1.17 -0.21 115.31 124.28 3pfl h LEU 63 Ca 0.09 -0.26 -0.02 0.00 0.84 0.00 0.00 57.88 58.53 3pfl h LEU 63 Cb 0.65 -0.17 0.00 0.00 0.37 0.00 0.00 40.66 41.52 3pfl h LEU 63 CO 0.05 0.74 -0.16 -0.33 -0.34 0.00 0.00 178.44 178.40 3pfl h GLU 64 N 0.51 -0.44 -0.32 1.25 5.08 -1.10 0.32 114.58 119.89 3pfl h GLU 64 Ca 0.12 0.03 0.01 0.00 -1.00 0.00 0.00 59.36 58.52 3pfl h GLU 64 Cb 0.38 0.10 -0.02 0.00 0.50 0.00 0.00 28.75 29.71 3pfl h GLU 64 CO 0.01 -0.28 0.20 -0.91 -1.00 0.00 0.00 179.01 177.02 3pfl h ASN 65 N -0.47 0.33 0.05 1.42 4.21 -1.23 0.83 115.58 120.71 3pfl h ASN 65 Ca -0.05 -0.00 0.01 0.00 1.21 0.00 0.00 56.30 57.47 3pfl h ASN 65 Cb 0.36 -0.07 -0.01 0.00 -1.12 0.00 0.00 38.32 37.47 3pfl h ASN 65 CO 0.08 0.24 -0.09 -0.09 -1.29 0.00 0.00 177.43 176.27 3pfl h ARG 66 N 0.40 -0.18 -0.00 0.81 2.43 -0.91 -2.97 114.38 113.96 3pfl h ARG 66 Ca 0.12 0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.31 3pfl h ARG 66 Cb -0.02 0.04 0.00 0.00 -0.42 0.00 0.00 29.97 29.57 3pfl h ARG 66 CO -0.05 -0.12 -0.26 0.25 -1.51 0.00 0.00 179.97 178.28 3pfl n THR 67 N -5.21 0.00 -3.87 0.20 -2.24 0.09 -4.93 114.28 98.32 3pfl n THR 67 Ca -0.06 -0.08 -0.31 0.00 -2.27 0.00 0.00 64.05 61.33 3pfl n THR 67 Cb 0.14 0.22 -0.01 0.00 -2.10 0.00 0.00 70.33 68.57 3pfl n THR 67 CO 0.00 0.00 0.00 1.57 -0.57 0.00 0.00 175.07 176.07 3pfl n HIS 68 N -0.93 -1.86 -3.92 4.78 -0.00 0.29 -4.92 115.22 108.65 3pfl n HIS 68 Ca 0.11 0.70 -0.09 0.00 0.46 0.00 0.00 57.72 58.90 3pfl n HIS 68 Cb 0.33 -3.10 -0.07 0.00 -0.12 0.00 0.00 29.99 27.03 3pfl n HIS 68 CO 0.00 0.00 0.00 0.00 0.46 0.00 0.00 176.34 176.80 3pfl s ALA 69 N -3.15 -0.12 0.64 1.57 0.00 -1.13 -5.05 121.76 114.52 3pfl s ALA 69 Ca 0.62 -0.78 -0.18 0.00 0.00 0.00 0.00 51.96 51.62 3pfl s ALA 69 Cb -0.33 0.80 -0.01 0.00 0.00 0.00 0.00 23.12 23.58 3pfl s ALA 69 CO 0.76 -0.64 1.23 -2.14 0.00 0.00 0.00 175.76 174.97 3pfl s PRO 70 N -3.94 2.66 0.23 0.00 0.02 -1.26 -4.38 135.00 128.33 3pfl s PRO 70 Ca 0.15 1.88 -0.01 0.00 0.02 0.00 0.00 61.00 63.04 3pfl s PRO 70 Cb 0.03 -1.88 0.24 0.00 0.02 0.00 0.00 34.50 32.91 3pfl s PRO 70 CO -0.02 -1.46 1.61 0.28 -0.33 0.00 0.00 177.00 177.08 3pfl h VAL 71 N 0.52 1.30 -1.34 3.83 2.07 -1.91 -3.47 116.25 117.24 3pfl h VAL 71 Ca -0.50 -1.55 0.33 0.00 0.82 0.00 0.00 66.70 65.79 3pfl h VAL 71 Cb 1.31 1.56 -0.14 0.00 -1.52 0.00 0.00 31.29 32.49 3pfl h VAL 71 CO 0.53 0.49 0.87 -0.62 0.02 0.00 0.00 177.57 178.86 3pfl s ASP 72 N -6.85 -0.06 -0.04 0.57 2.15 -1.26 -5.05 116.67 106.12 3pfl s ASP 72 Ca -0.07 -0.08 -0.30 0.00 0.43 0.00 0.00 52.55 52.53 3pfl s ASP 72 Cb 0.12 0.12 0.11 0.00 -0.30 0.00 0.00 42.92 42.97 3pfl s ASP 72 CO 0.82 -0.22 0.95 0.72 -0.17 0.00 0.00 175.17 177.27 3pfl s PHE 73 N -2.32 -0.31 0.68 -5.34 -0.12 -1.26 -0.95 117.98 108.36 3pfl s PHE 73 Ca 0.13 0.20 -0.16 0.00 -0.05 0.00 0.00 56.93 57.06 3pfl s PHE 73 Cb 0.04 0.53 0.01 0.00 -0.63 0.00 0.00 43.02 42.97 3pfl s PHE 73 CO -0.04 -0.47 1.17 -0.51 -0.05 0.00 0.00 175.22 175.31 3pfl s ASP 74 N -2.38 4.69 0.00 1.98 1.01 0.17 -4.88 116.67 117.26 3pfl s ASP 74 Ca 0.06 2.23 0.00 0.00 0.71 0.00 0.00 52.55 55.55 3pfl s ASP 74 Cb -0.01 -2.58 0.00 0.00 1.01 0.00 0.00 42.92 41.34 3pfl s ASP 74 CO -0.08 -1.92 0.00 0.41 0.21 0.00 0.00 175.17 173.79 3pfl n THR 75 N -2.41 0.00 -0.76 -1.27 -1.04 -1.26 -4.73 114.28 102.81 3pfl n THR 75 Ca 0.12 -0.01 0.00 0.00 -2.04 0.00 0.00 64.05 62.12 3pfl n THR 75 Cb 0.51 0.21 0.00 0.00 -1.82 0.00 0.00 70.33 69.22 3pfl n THR 75 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 3pfl n ALA 76 N -0.41 1.11 -3.13 2.41 0.00 -1.26 -0.83 120.51 118.41 3pfl n ALA 76 Ca 0.00 -0.51 -0.32 0.00 0.00 0.00 0.00 53.44 52.61 3pfl n ALA 76 Cb 0.00 0.00 -0.17 0.00 0.00 0.00 0.00 19.45 19.28 3pfl n ALA 76 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 3pfl s VAL 77 N -0.19 2.02 -0.37 0.00 1.01 -1.26 -4.92 120.40 116.69 3pfl s VAL 77 Ca 0.00 -1.01 -0.24 0.00 0.00 0.00 0.00 61.98 60.74 3pfl s VAL 77 Cb 0.00 -1.74 0.01 0.00 0.00 0.00 0.00 36.38 34.65 3pfl s VAL 77 CO 0.00 0.55 0.82 0.00 0.00 0.00 0.00 175.10 176.47 3pfl s ALA 78 N 0.25 3.41 0.35 5.51 0.00 -1.26 -4.19 121.76 125.82 3pfl s ALA 78 Ca -0.16 -0.65 -0.28 0.00 0.00 0.00 0.00 51.96 50.87 3pfl s ALA 78 Cb -0.17 -3.41 -0.11 0.00 0.00 0.00 0.00 23.12 19.43 3pfl s ALA 78 CO 0.08 -1.56 1.41 0.45 0.00 0.00 0.00 175.76 176.14 3pfl s SER 79 N 1.88 6.54 0.26 0.00 0.15 0.26 -4.88 113.70 117.92 3pfl s SER 79 Ca 0.33 2.88 -0.05 0.00 0.70 0.00 0.00 55.95 59.80 3pfl s SER 79 Cb -0.13 -2.66 -0.02 0.00 -1.71 0.00 0.00 66.02 61.51 3pfl s SER 79 CO 0.18 -0.72 0.36 -0.89 1.20 0.00 0.00 173.24 173.36 3pfl s THR 80 N -1.04 0.00 0.33 6.45 2.01 -1.24 -4.85 115.64 117.30 3pfl s THR 80 Ca 0.52 -1.67 0.04 0.00 0.31 0.00 0.00 61.69 60.88 3pfl s THR 80 Cb -0.43 -2.42 0.17 0.00 0.01 0.00 0.00 72.50 69.82 3pfl s THR 80 CO 0.58 0.00 1.89 0.40 -0.69 0.00 0.00 174.62 176.79 3pfl h ILE 81 N 2.33 1.19 -0.21 1.82 2.04 -1.86 -3.15 117.51 119.67 3pfl h ILE 81 Ca -0.30 -0.72 0.00 0.00 1.00 0.00 0.00 64.86 64.85 3pfl h ILE 81 Cb 1.25 0.83 0.00 0.00 -0.74 0.00 0.00 36.82 38.16 3pfl h ILE 81 CO 0.42 0.25 0.00 0.35 0.00 0.00 0.00 178.15 179.17 3pfl n THR 82 N -4.30 0.62 -0.15 -0.27 -2.24 -1.26 -4.71 114.28 101.97 3pfl n THR 82 Ca 0.02 -0.81 -0.04 0.00 -2.27 0.00 0.00 64.05 60.95 3pfl n THR 82 Cb 0.22 0.78 0.15 0.00 -2.10 0.00 0.00 70.33 69.37 3pfl n THR 82 CO 0.00 0.00 0.00 0.77 -0.57 0.00 0.00 175.07 175.27 3pfl h SER 83 N 1.96 0.83 -2.65 3.42 4.64 -1.88 -3.45 113.55 116.42 3pfl h SER 83 Ca 0.00 -0.18 -0.51 0.00 -0.47 0.00 0.00 61.79 60.63 3pfl h SER 83 Cb 0.61 -0.22 -0.01 0.00 -0.31 0.00 0.00 62.40 62.47 3pfl h SER 83 CO 0.00 0.85 -0.36 -1.00 -0.87 0.00 0.00 176.83 175.45 3pfl s HIS 84 N -5.13 3.48 0.69 4.77 3.76 -1.26 -4.98 115.29 116.62 3pfl s HIS 84 Ca -0.10 0.23 -0.06 0.00 -0.15 0.00 0.00 55.06 54.97 3pfl s HIS 84 Cb 0.15 -1.77 0.06 0.00 1.11 0.00 0.00 32.58 32.13 3pfl s HIS 84 CO 0.82 0.38 1.00 -0.51 -0.85 0.00 0.00 174.74 175.58 3pfl s ASP 85 N -3.46 4.87 0.42 1.40 1.01 -1.26 -5.01 116.67 114.64 3pfl s ASP 85 Ca 0.37 0.45 -0.26 0.00 0.71 0.00 0.00 52.55 53.82 3pfl s ASP 85 Cb -0.10 -1.13 -0.09 0.00 1.01 0.00 0.00 42.92 42.61 3pfl s ASP 85 CO 0.30 -1.56 1.39 0.00 0.21 0.00 0.00 175.17 175.52 3pfl s ALA 86 N -3.22 3.31 0.09 5.23 0.00 -1.26 -4.27 121.76 121.64 3pfl s ALA 86 Ca 0.60 1.41 0.06 0.00 0.00 0.00 0.00 51.96 54.02 3pfl s ALA 86 Cb -0.11 -3.56 -0.03 0.00 0.00 0.00 0.00 23.12 19.42 3pfl s ALA 86 CO 0.44 -1.04 -0.16 0.20 0.00 0.00 0.00 175.76 175.21 3pfl s GLY 87 N -0.52 0.99 0.21 0.00 0.00 -1.26 -4.82 107.32 101.93 3pfl s GLY 87 Ca 0.58 -1.11 -0.03 0.00 0.00 0.00 0.00 44.72 44.16 3pfl s GLY 87 CO 0.55 -1.14 0.20 -0.19 0.00 0.00 0.00 173.10 172.53 3pfl s TYR 88 N -1.39 1.01 -0.24 1.90 1.51 -1.26 -4.33 117.35 114.55 3pfl s TYR 88 Ca 0.02 -1.26 -0.01 0.00 -1.01 0.00 0.00 57.07 54.81 3pfl s TYR 88 Cb -0.09 -0.41 -0.18 0.00 -0.11 0.00 0.00 41.96 41.17 3pfl s TYR 88 CO 0.03 -0.72 -0.14 -0.89 -1.11 0.00 0.00 175.55 172.72 3pfl n ILE 89 N -0.30 1.54 -2.87 2.71 5.41 -1.26 -4.50 119.36 120.08 3pfl n ILE 89 Ca 0.01 -0.56 0.01 0.00 1.00 0.00 0.00 62.75 63.22 3pfl n ILE 89 Cb 0.65 -1.52 0.01 0.00 -0.71 0.00 0.00 39.64 38.06 3pfl n ILE 89 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 176.55 176.76 3pfl s ASN 90 N -6.70 -0.71 0.51 4.38 3.84 -1.26 -5.05 114.94 109.95 3pfl s ASN 90 Ca -0.33 -0.44 0.37 0.00 0.21 0.00 0.00 52.86 52.67 3pfl s ASN 90 Cb 0.09 0.91 1.53 0.00 -0.55 0.00 0.00 41.25 43.23 3pfl s ASN 90 CO 0.61 -0.07 1.72 0.50 -2.79 0.00 0.00 177.10 177.07 3pfl h LYS 91 N 5.68 0.06 0.00 0.43 3.64 -1.95 0.24 116.57 124.66 3pfl h LYS 91 Ca -0.00 -0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.37 3pfl h LYS 91 Cb 1.21 -0.01 0.00 0.00 -0.41 0.00 0.00 32.23 33.01 3pfl h LYS 91 CO -0.03 0.04 0.00 1.04 -2.27 0.00 0.00 179.45 178.23 3pfl n GLN 92 N -4.25 0.15 -0.03 1.90 3.00 -1.26 -3.93 117.38 112.97 3pfl n GLN 92 Ca 0.32 0.22 0.02 0.00 -0.01 0.00 0.00 57.00 57.54 3pfl n GLN 92 Cb 1.42 -1.71 -0.09 0.00 0.00 0.00 0.00 30.24 29.85 3pfl n GLN 92 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.06 178.34 3pfl n LEU 93 N -1.98 0.00 -4.71 1.08 4.77 0.81 -5.01 117.00 111.96 3pfl n LEU 93 Ca 0.05 0.00 -0.42 0.00 -0.03 0.00 0.00 56.01 55.61 3pfl n LEU 93 Cb 0.33 0.11 -0.03 0.00 -2.33 0.00 0.00 43.42 41.50 3pfl n LEU 93 CO 0.25 0.11 0.75 -1.61 -1.33 0.00 0.00 177.39 175.56 3pfl s GLU 94 N -2.64 4.53 -0.02 3.23 2.02 -1.12 -4.86 118.70 119.84 3pfl s GLU 94 Ca -0.05 1.54 0.10 0.00 0.02 0.00 0.00 54.97 56.58 3pfl s GLU 94 Cb 0.06 -3.41 -0.23 0.00 0.10 0.00 0.00 34.13 30.65 3pfl s GLU 94 CO 0.50 -0.09 0.74 0.87 0.02 0.00 0.00 175.26 177.30 3pfl h LYS 95 N 6.65 0.03 -5.68 1.61 1.79 -1.92 -3.45 116.57 115.60 3pfl h LYS 95 Ca -0.41 -0.06 -0.68 0.00 -2.18 0.00 0.00 60.65 57.31 3pfl h LYS 95 Cb 1.22 0.02 -0.32 0.00 -1.58 0.00 0.00 32.23 31.57 3pfl h LYS 95 CO 0.77 0.65 -0.88 0.42 -1.08 0.00 0.00 179.45 179.32 3pfl s ILE 96 N -2.61 2.05 0.20 1.86 -1.09 -1.26 -5.00 121.20 115.35 3pfl s ILE 96 Ca -0.05 -1.04 0.11 0.00 -2.23 0.00 0.00 60.65 57.43 3pfl s ILE 96 Cb 0.08 -1.76 -0.04 0.00 -1.58 0.00 0.00 42.46 39.16 3pfl s ILE 96 CO 0.82 0.56 -0.22 -0.69 -1.23 0.00 0.00 174.94 174.19 3pfl s VAL 97 N 0.08 2.24 0.00 2.92 1.01 -1.26 -4.89 120.40 120.51 3pfl s VAL 97 Ca -0.11 -2.07 0.00 0.00 0.00 0.00 0.00 61.98 59.80 3pfl s VAL 97 Cb -0.16 -2.09 0.00 0.00 0.00 0.00 0.00 36.38 34.13 3pfl s VAL 97 CO 0.06 -0.22 0.00 0.61 0.00 0.00 0.00 175.10 175.56 3pfl n GLY 98 N 0.11 3.43 3.28 4.51 0.00 -1.26 -4.88 105.19 110.38 3pfl n GLY 98 Ca -0.11 -0.48 -0.21 0.00 0.00 0.00 0.00 46.02 45.22 3pfl n GLY 98 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3pfl s LEU 99 N 0.00 2.38 0.18 0.99 1.43 -1.26 -4.99 118.68 117.41 3pfl s LEU 99 Ca 0.00 -0.78 -0.12 0.00 -1.03 0.00 0.00 54.13 52.19 3pfl s LEU 99 Cb 0.00 -0.72 0.09 0.00 0.03 0.00 0.00 46.19 45.60 3pfl s LEU 99 CO 0.00 -0.05 1.81 1.56 0.23 0.00 0.00 176.35 179.90 3pfl h GLN 100 N 3.63 0.83 0.00 1.70 4.20 -1.91 -3.45 115.11 120.11 3pfl h GLN 100 Ca -0.42 -0.08 0.00 0.00 0.06 0.00 0.00 58.65 58.21 3pfl h GLN 100 Cb 1.20 -0.17 0.00 0.00 0.30 0.00 0.00 27.48 28.80 3pfl h GLN 100 CO 0.47 0.61 0.00 -2.37 -0.67 0.00 0.00 178.83 176.87 3pfl n THR 101 N -4.60 0.00 1.55 -0.54 5.66 -1.26 -4.82 114.28 110.27 3pfl n THR 101 Ca 0.04 0.00 0.14 0.00 -3.05 0.00 0.00 64.05 61.18 3pfl n THR 101 Cb 0.06 -0.16 0.58 0.00 -1.55 0.00 0.00 70.33 69.27 3pfl n THR 101 CO 0.00 0.00 0.00 -1.84 -3.05 0.00 0.00 175.07 170.18 3pfl n GLU 102 N -0.02 1.47 -3.86 1.09 0.00 -1.26 -4.10 120.64 113.96 3pfl n GLU 102 Ca 0.00 -0.76 -0.12 0.00 0.00 0.00 0.00 57.16 56.28 3pfl n GLU 102 Cb 0.00 -1.48 -0.12 0.00 0.00 0.00 0.00 31.44 29.83 3pfl n GLU 102 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 3pfl s ALA 103 N -2.05 -0.21 -0.04 -1.84 0.00 -1.26 -4.29 121.76 112.07 3pfl s ALA 103 Ca 0.38 0.09 -0.36 0.00 0.00 0.00 0.00 51.96 52.07 3pfl s ALA 103 Cb 0.21 -0.07 -0.14 0.00 0.00 0.00 0.00 23.12 23.12 3pfl s ALA 103 CO 0.36 -0.09 1.67 -2.30 0.00 0.00 0.00 175.76 175.40 3pfl n PRO 104 N 2.53 1.74 -0.76 0.00 -0.02 -1.26 -1.80 135.00 135.43 3pfl n PRO 104 Ca -0.16 0.63 0.00 0.00 -2.02 0.00 0.00 63.50 61.96 3pfl n PRO 104 Cb 0.58 -2.39 0.00 0.00 -0.02 0.00 0.00 33.50 31.67 3pfl n PRO 104 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 3pfl n LEU 105 N 4.77 0.52 -4.68 2.45 4.77 -1.26 -4.98 117.00 118.59 3pfl n LEU 105 Ca 0.21 0.00 -0.42 0.00 -0.03 0.00 0.00 56.01 55.77 3pfl n LEU 105 Cb 0.24 -0.86 -0.03 0.00 -2.33 0.00 0.00 43.42 40.44 3pfl n LEU 105 CO 0.70 -0.29 0.95 -0.75 -1.33 0.00 0.00 177.39 176.68 3pfl s LYS 106 N -0.57 4.34 0.30 3.23 2.20 -0.75 -4.46 119.74 124.03 3pfl s LYS 106 Ca 0.00 1.62 -0.16 0.00 -0.36 0.00 0.00 55.97 57.07 3pfl s LYS 106 Cb 0.00 -3.59 -0.09 0.00 -1.51 0.00 0.00 37.83 32.64 3pfl s LYS 106 CO 0.00 -0.47 0.74 1.03 -0.36 0.00 0.00 175.35 176.29 3pfl s ARG 107 N 2.41 4.08 0.57 4.03 0.52 -0.13 -4.48 118.95 125.95 3pfl s ARG 107 Ca 0.54 0.74 0.10 0.00 -0.52 0.00 0.00 55.73 56.59 3pfl s ARG 107 Cb -0.23 -2.55 0.09 0.00 0.52 0.00 0.00 34.95 32.78 3pfl s ARG 107 CO 0.20 0.22 0.79 0.00 0.02 0.00 0.00 175.30 176.53 3pfl s ALA 108 N -1.86 4.71 -0.22 2.13 0.00 -1.26 0.44 121.76 125.70 3pfl s ALA 108 Ca 0.51 -2.14 -0.05 0.00 0.00 0.00 0.00 51.96 50.29 3pfl s ALA 108 Cb -0.12 -1.47 -0.02 0.00 0.00 0.00 0.00 23.12 21.52 3pfl s ALA 108 CO 0.18 -0.86 -0.01 -0.51 0.00 0.00 0.00 175.76 174.56 3pfl s LEU 109 N -4.67 3.08 -0.84 0.00 1.43 -1.26 -4.37 118.68 112.05 3pfl s LEU 109 Ca 0.62 -0.31 0.01 0.00 -1.03 0.00 0.00 54.13 53.41 3pfl s LEU 109 Cb -0.06 -1.79 0.20 0.00 0.03 0.00 0.00 46.19 44.58 3pfl s LEU 109 CO 0.39 -0.00 0.70 -0.63 0.23 0.00 0.00 176.35 177.03 3pfl s ILE 110 N 1.38 3.89 0.48 -0.59 -1.09 -1.26 -0.57 121.20 123.44 3pfl s ILE 110 Ca 0.05 -4.04 0.13 0.00 -2.23 0.00 0.00 60.65 54.56 3pfl s ILE 110 Cb -0.14 -3.45 0.27 0.00 -1.58 0.00 0.00 42.46 37.56 3pfl s ILE 110 CO -0.01 -1.07 2.12 1.55 -1.23 0.00 0.00 174.94 176.31 3pfl h PRO 111 N 5.77 0.18 -0.18 2.79 0.13 -1.89 -3.19 132.00 135.60 3pfl h PRO 111 Ca 0.16 -0.01 0.05 0.00 -0.87 0.00 0.00 66.00 65.33 3pfl h PRO 111 Cb 0.79 -0.04 -0.01 0.00 0.13 0.00 0.00 31.00 31.87 3pfl h PRO 111 CO 0.81 0.12 0.38 0.74 -0.23 0.00 0.00 178.00 179.82 3pfl h PHE 112 N 0.19 0.00 0.00 1.56 0.04 -1.92 0.64 116.94 117.45 3pfl h PHE 112 Ca 0.05 0.00 -0.11 0.00 2.80 0.00 0.00 57.97 60.71 3pfl h PHE 112 Cb -0.02 0.00 -0.02 0.00 2.20 0.00 0.00 35.95 38.12 3pfl h PHE 112 CO -0.00 0.00 -0.56 0.78 -0.60 0.00 0.00 178.31 177.93 3pfl h GLY 113 N 0.00 0.00 0.00 -1.45 0.00 -1.86 -2.40 103.07 97.36 3pfl h GLY 113 Ca 0.09 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.42 3pfl h GLY 113 CO -0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.15 3pfl n GLY 114 N 1.24 4.23 0.09 4.60 0.00 0.22 -1.09 105.19 114.47 3pfl n GLY 114 Ca 0.02 -0.59 -0.04 0.00 0.00 0.00 0.00 46.02 45.41 3pfl n GLY 114 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 3pfl h ILE 115 N 1.61 0.71 -0.92 -0.61 6.09 -1.78 -3.38 117.51 119.22 3pfl h ILE 115 Ca 0.00 -2.36 0.02 0.00 -1.37 0.00 0.00 64.86 61.15 3pfl h ILE 115 Cb 0.00 2.24 -0.05 0.00 0.47 0.00 0.00 36.82 39.48 3pfl h ILE 115 CO 0.00 0.40 0.61 0.11 -3.07 0.00 0.00 178.15 176.20 3pfl h LYS 116 N 0.00 1.18 -0.52 2.19 1.57 -1.96 -1.70 116.57 117.34 3pfl h LYS 116 Ca -0.20 -0.07 -0.07 0.00 -1.87 0.00 0.00 60.65 58.44 3pfl h LYS 116 Cb 1.77 -0.27 -0.02 0.00 0.08 0.00 0.00 32.23 33.79 3pfl h LYS 116 CO 0.06 0.78 0.06 0.52 -0.57 0.00 0.00 179.45 180.30 3pfl h MET 117 N 1.21 0.83 -0.71 3.15 2.86 -1.92 -0.43 114.93 119.93 3pfl h MET 117 Ca 0.35 -0.20 -0.07 0.00 -2.06 0.00 0.00 59.70 57.72 3pfl h MET 117 Cb -0.08 -0.11 -0.03 0.00 0.06 0.00 0.00 31.60 31.44 3pfl h MET 117 CO -0.09 0.80 0.17 0.82 1.06 0.00 0.00 176.91 179.66 3pfl h ILE 118 N 0.79 1.26 -0.52 -1.22 2.04 -1.56 -1.10 117.51 117.20 3pfl h ILE 118 Ca 0.16 -0.98 -0.05 0.00 1.00 0.00 0.00 64.86 64.99 3pfl h ILE 118 Cb 0.39 0.54 -0.02 0.00 -0.74 0.00 0.00 36.82 36.99 3pfl h ILE 118 CO 0.01 0.38 0.15 -0.33 0.00 0.00 0.00 178.15 178.36 3pfl h GLU 119 N 1.07 0.82 -0.60 2.37 5.08 -0.88 -0.72 114.58 121.72 3pfl h GLU 119 Ca 0.22 -0.18 0.05 0.00 -1.00 0.00 0.00 59.36 58.44 3pfl h GLU 119 Cb 0.38 -0.11 -0.05 0.00 0.50 0.00 0.00 28.75 29.47 3pfl h GLU 119 CO 0.00 0.76 0.34 0.78 -1.00 0.00 0.00 179.01 179.90 3pfl h GLY 120 N 0.71 0.87 0.85 -3.84 0.00 -0.68 0.53 103.07 101.52 3pfl h GLY 120 Ca 0.17 -0.24 -0.00 0.00 0.00 0.00 0.00 47.33 47.25 3pfl h GLY 120 CO -0.00 0.17 -0.01 1.76 0.00 0.00 0.00 176.54 178.46 3pfl h SER 121 N 0.64 -0.02 -0.88 0.19 0.02 -0.89 0.05 113.55 112.67 3pfl h SER 121 Ca 0.26 -0.15 0.13 0.00 -0.84 0.00 0.00 61.79 61.20 3pfl h SER 121 Cb 0.12 0.00 -0.09 0.00 0.14 0.00 0.00 62.40 62.58 3pfl h SER 121 CO -0.15 0.14 0.49 0.00 -1.14 0.00 0.00 176.83 176.17 3pfl h LYS 123 N 0.73 0.79 -0.24 0.00 3.64 -0.59 0.20 116.57 121.11 3pfl h LYS 123 Ca 0.46 -0.37 -0.11 0.00 -1.27 0.00 0.00 60.65 59.36 3pfl h LYS 123 Cb 0.58 -0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 32.38 3pfl h LYS 123 CO -0.32 1.00 -0.32 0.00 -2.27 0.00 0.00 179.45 177.54 3pfl h ALA 124 N 0.77 1.00 -0.60 5.00 0.00 -0.07 -3.08 119.26 122.28 3pfl h ALA 124 Ca 0.07 -0.39 0.00 0.00 0.00 0.00 0.00 54.91 54.60 3pfl h ALA 124 Cb 0.80 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.47 3pfl h ALA 124 CO 0.06 0.60 0.00 0.66 0.00 0.00 0.00 179.25 180.57 3pfl n TYR 125 N -4.08 1.44 -3.28 0.00 4.01 0.18 -4.98 117.16 110.44 3pfl n TYR 125 Ca -0.01 -0.63 -0.09 0.00 -0.16 0.00 0.00 57.90 57.01 3pfl n TYR 125 Cb 0.45 -0.25 0.01 0.00 -0.31 0.00 0.00 39.34 39.24 3pfl n TYR 125 CO 0.00 0.00 0.00 -1.71 -0.46 0.00 0.00 176.86 174.69 3pfl n ASN 126 N 0.96 -6.89 -3.81 7.72 5.15 -0.71 -5.02 115.26 112.65 3pfl n ASN 126 Ca 0.25 -0.38 -0.10 0.00 -0.60 0.00 0.00 54.58 53.75 3pfl n ASN 126 Cb 0.89 -4.36 -0.07 0.00 -0.53 0.00 0.00 39.78 35.71 3pfl n ASN 126 CO 0.00 0.00 0.00 -0.13 1.40 0.00 0.00 177.26 178.53 3pfl s ARG 127 N -3.75 0.84 -0.20 1.20 1.81 0.64 -5.04 118.95 114.46 3pfl s ARG 127 Ca 0.07 -0.82 -0.03 0.00 -1.72 0.00 0.00 55.73 53.23 3pfl s ARG 127 Cb -0.02 0.35 -0.01 0.00 -0.45 0.00 0.00 34.95 34.82 3pfl s ARG 127 CO 0.79 -0.27 -0.05 -1.21 -0.68 0.00 0.00 175.30 173.87 3pfl s GLU 128 N -3.48 3.43 0.23 3.54 2.02 -1.26 -4.19 118.70 119.00 3pfl s GLU 128 Ca 0.02 -0.61 -0.30 0.00 0.02 0.00 0.00 54.97 54.09 3pfl s GLU 128 Cb 0.03 -2.94 -0.10 0.00 0.10 0.00 0.00 34.13 31.23 3pfl s GLU 128 CO -0.09 -0.06 1.39 -1.17 0.02 0.00 0.00 175.26 175.35 3pfl s LEU 129 N 1.11 4.40 0.14 1.80 0.20 -1.26 -4.88 118.68 120.19 3pfl s LEU 129 Ca 0.01 2.57 -0.31 0.00 0.69 0.00 0.00 54.13 57.09 3pfl s LEU 129 Cb -0.15 -3.62 -0.10 0.00 -0.43 0.00 0.00 46.19 41.89 3pfl s LEU 129 CO -0.01 -0.63 1.71 -0.62 -0.29 0.00 0.00 176.35 176.52 3pfl s ASP 130 N 0.32 6.49 0.48 3.68 -1.08 -0.01 -4.87 116.67 121.67 3pfl s ASP 130 Ca 0.58 2.69 0.15 0.00 -0.52 0.00 0.00 52.55 55.45 3pfl s ASP 130 Cb -0.40 -2.58 1.14 0.00 -1.46 0.00 0.00 42.92 39.63 3pfl s ASP 130 CO 0.42 -0.93 2.05 1.55 0.52 0.00 0.00 175.17 178.78 3pfl h PRO 131 N 7.75 0.22 -0.45 4.34 0.13 -1.92 -1.92 132.00 140.16 3pfl h PRO 131 Ca -0.44 -0.01 -0.13 0.00 -0.87 0.00 0.00 66.00 64.55 3pfl h PRO 131 Cb 1.21 -0.05 -0.01 0.00 0.13 0.00 0.00 31.00 32.28 3pfl h PRO 131 CO 0.94 0.15 -0.22 1.98 -0.23 0.00 0.00 178.00 180.61 3pfl h MET 132 N 0.23 0.95 -0.78 0.86 1.85 -1.98 -1.18 114.93 114.88 3pfl h MET 132 Ca 0.16 -0.42 -0.03 0.00 -0.61 0.00 0.00 59.70 58.80 3pfl h MET 132 Cb 0.33 -0.03 -0.04 0.00 0.43 0.00 0.00 31.60 32.30 3pfl h MET 132 CO -0.03 1.08 0.39 0.82 -0.40 0.00 0.00 176.91 178.77 3pfl h ILE 133 N 0.79 1.24 -0.61 1.77 1.08 -1.72 -1.10 117.51 118.97 3pfl h ILE 133 Ca 0.10 -0.67 -0.04 0.00 -0.39 0.00 0.00 64.86 63.86 3pfl h ILE 133 Cb 0.80 0.25 -0.03 0.00 -3.07 0.00 0.00 36.82 34.77 3pfl h ILE 133 CO 0.07 0.29 0.21 0.50 -0.69 0.00 0.00 178.15 178.52 3pfl h LYS 134 N 1.10 0.94 -0.29 2.37 3.64 -1.17 -2.38 116.57 120.77 3pfl h LYS 134 Ca 0.27 -0.19 -0.03 0.00 -1.27 0.00 0.00 60.65 59.43 3pfl h LYS 134 Cb 0.10 -0.14 -0.01 0.00 -0.41 0.00 0.00 32.23 31.77 3pfl h LYS 134 CO -0.04 0.82 0.08 -0.22 -2.27 0.00 0.00 179.45 177.83 3pfl h LYS 135 N 0.86 0.46 -0.36 1.90 3.64 -0.92 -2.98 116.57 119.17 3pfl h LYS 135 Ca 0.20 -0.10 0.03 0.00 -1.27 0.00 0.00 60.65 59.50 3pfl h LYS 135 Cb 0.26 -0.06 -0.03 0.00 -0.41 0.00 0.00 32.23 31.99 3pfl h LYS 135 CO -0.01 0.52 0.17 0.82 -2.27 0.00 0.00 179.45 178.69 3pfl h ILE 136 N 0.30 0.97 -0.53 2.00 2.04 -1.11 -1.70 117.51 119.49 3pfl h ILE 136 Ca 0.09 -0.12 -0.19 0.00 1.00 0.00 0.00 64.86 65.64 3pfl h ILE 136 Cb 0.26 0.58 -0.11 0.00 -0.74 0.00 0.00 36.82 36.82 3pfl h ILE 136 CO -0.00 0.07 0.24 0.49 0.00 0.00 0.00 178.15 178.94 3pfl n PHE 137 N -4.95 1.71 0.00 1.37 3.72 -0.91 -0.76 117.46 117.65 3pfl n PHE 137 Ca 0.01 -0.97 0.00 0.00 -0.05 0.00 0.00 57.45 56.43 3pfl n PHE 137 Cb 0.09 -0.56 0.00 0.00 -0.94 0.00 0.00 39.48 38.08 3pfl n PHE 137 CO 0.00 0.00 0.00 0.25 -0.05 0.00 0.00 176.76 176.96 3pfl n THR 138 N -0.13 0.00 -0.05 4.37 -2.24 -1.13 -4.47 114.28 110.63 3pfl n THR 138 Ca 0.30 0.00 -0.06 0.00 -2.27 0.00 0.00 64.05 62.02 3pfl n THR 138 Cb 1.09 -0.32 -0.07 0.00 -2.10 0.00 0.00 70.33 68.93 3pfl n THR 138 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 3pfl n GLU 139 N -1.29 1.89 -0.13 -0.78 1.02 -0.65 -4.88 120.64 115.81 3pfl n GLU 139 Ca 0.00 0.02 -0.26 0.00 -0.02 0.00 0.00 57.16 56.90 3pfl n GLU 139 Cb 0.19 -1.24 -0.09 0.00 -0.02 0.00 0.00 31.44 30.28 3pfl n GLU 139 CO 0.00 0.00 0.00 0.66 1.18 0.00 0.00 177.13 178.97 3pfl n TYR 140 N -2.48 0.08 -3.73 -0.32 4.01 -0.81 -4.89 117.16 109.01 3pfl n TYR 140 Ca -0.17 0.04 -0.38 0.00 -0.16 0.00 0.00 57.90 57.23 3pfl n TYR 140 Cb 0.79 -0.92 -0.12 0.00 -0.31 0.00 0.00 39.34 38.77 3pfl n TYR 140 CO 0.00 0.00 0.00 0.50 -0.46 0.00 0.00 176.86 176.90 3pfl s ARG 141 N -2.56 2.65 0.35 -0.72 6.06 0.06 -5.04 118.95 119.74 3pfl s ARG 141 Ca -0.36 -1.17 -0.27 0.00 -2.50 0.00 0.00 55.73 51.43 3pfl s ARG 141 Cb 0.12 -3.49 -0.09 0.00 0.06 0.00 0.00 34.95 31.55 3pfl s ARG 141 CO 0.48 -0.67 1.19 0.21 -2.50 0.00 0.00 175.30 174.01 3pfl s LYS 142 N 1.42 4.28 0.39 5.12 2.20 -1.26 -4.18 119.74 127.71 3pfl s LYS 142 Ca -0.01 1.93 0.08 0.00 -0.36 0.00 0.00 55.97 57.60 3pfl s LYS 142 Cb -0.19 -2.90 -0.01 0.00 -1.51 0.00 0.00 37.83 33.21 3pfl s LYS 142 CO 0.03 -0.15 0.42 0.95 -0.36 0.00 0.00 175.35 176.24 3pfl s THR 143 N -1.28 3.15 0.15 3.43 -4.23 -1.26 -4.92 115.64 110.67 3pfl s THR 143 Ca 0.52 -1.22 -0.16 0.00 -1.18 0.00 0.00 61.69 59.64 3pfl s THR 143 Cb -0.33 -3.10 0.01 0.00 1.34 0.00 0.00 72.50 70.41 3pfl s THR 143 CO 0.43 -0.06 1.79 -0.74 -0.54 0.00 0.00 174.62 175.50 3pfl h HIS 144 N 0.97 0.40 -0.54 3.99 2.76 -1.44 -1.97 115.15 119.32 3pfl h HIS 144 Ca -0.42 0.01 0.06 0.00 -2.20 0.00 0.00 60.37 57.82 3pfl h HIS 144 Cb 1.27 -0.13 -0.05 0.00 1.55 0.00 0.00 27.41 30.05 3pfl h HIS 144 CO 0.48 0.23 0.25 -0.97 -1.30 0.00 0.00 177.93 176.62 3pfl h ASN 145 N 0.43 0.34 -0.50 3.26 -0.73 -1.29 -1.65 115.58 115.44 3pfl h ASN 145 Ca 0.15 0.04 -0.02 0.00 1.87 0.00 0.00 56.30 58.34 3pfl h ASN 145 Cb 0.01 -0.02 -0.02 0.00 0.27 0.00 0.00 38.32 38.56 3pfl h ASN 145 CO -0.07 0.23 0.23 1.56 -0.37 0.00 0.00 177.43 179.01 3pfl h GLN 146 N 0.48 0.73 -0.78 6.67 4.20 -1.77 -2.64 115.11 122.00 3pfl h GLN 146 Ca 0.25 -0.11 -0.04 0.00 0.06 0.00 0.00 58.65 58.81 3pfl h GLN 146 Cb 0.19 -0.13 -0.04 0.00 0.30 0.00 0.00 27.48 27.81 3pfl h GLN 146 CO -0.19 0.62 0.34 0.78 -0.67 0.00 0.00 178.83 179.71 3pfl h GLY 147 N 0.67 1.22 0.68 3.46 0.00 -0.94 -2.39 103.07 105.77 3pfl h GLY 147 Ca 0.17 -0.63 -0.00 0.00 0.00 0.00 0.00 47.33 46.87 3pfl h GLY 147 CO -0.02 0.59 -0.02 -2.08 0.00 0.00 0.00 176.54 175.01 3pfl h VAL 148 N 1.12 1.17 0.00 4.60 2.07 -1.20 -2.98 116.25 121.03 3pfl h VAL 148 Ca 0.26 -0.72 0.00 0.00 0.82 0.00 0.00 66.70 67.06 3pfl h VAL 148 Cb 0.16 1.64 0.00 0.00 -1.52 0.00 0.00 31.29 31.57 3pfl h VAL 148 CO -0.03 0.18 0.00 0.49 0.02 0.00 0.00 177.57 178.23 3pfl n PHE 149 N -4.97 0.00 0.15 1.57 3.01 -1.01 -1.29 117.46 114.93 3pfl n PHE 149 Ca -0.08 0.00 0.12 0.00 1.01 0.00 0.00 57.45 58.49 3pfl n PHE 149 Cb 0.19 -0.36 0.04 0.00 -0.01 0.00 0.00 39.48 39.34 3pfl n PHE 149 CO 0.00 0.00 0.00 -0.44 1.01 0.00 0.00 176.76 177.33 3pfl h ASP 150 N 0.00 0.00 0.00 4.37 5.19 -1.27 -3.36 116.42 121.34 3pfl h ASP 150 Ca 0.00 -0.01 0.00 0.00 -0.62 0.00 0.00 57.03 56.40 3pfl h ASP 150 Cb 0.18 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.69 3pfl h ASP 150 CO 0.00 0.01 -0.41 0.52 -3.12 0.00 0.00 179.24 176.23 3pfl n VAL 151 N -2.72 0.00 -1.23 -1.35 0.31 -0.63 -5.04 118.33 107.66 3pfl n VAL 151 Ca 0.01 -0.31 -0.34 0.00 -0.01 0.00 0.00 64.34 63.69 3pfl n VAL 151 Cb 0.54 0.97 0.12 0.00 -0.91 0.00 0.00 33.84 34.56 3pfl n VAL 151 CO 0.00 0.00 0.00 -1.22 -1.32 0.00 0.00 176.83 174.29 3pfl n TYR 152 N -1.21 1.33 -3.96 3.52 4.01 -0.41 -5.03 117.16 115.42 3pfl n TYR 152 Ca 0.01 0.41 -0.23 0.00 -0.16 0.00 0.00 57.90 57.93 3pfl n TYR 152 Cb 0.13 -2.13 -0.02 0.00 -0.31 0.00 0.00 39.34 37.00 3pfl n TYR 152 CO 0.00 0.00 0.00 0.95 -0.46 0.00 0.00 176.86 177.35 3pfl s THR 153 N -1.97 5.28 0.40 -0.72 -4.23 -1.26 -4.99 115.64 108.15 3pfl s THR 153 Ca 0.75 -0.86 0.31 0.00 -1.18 0.00 0.00 61.69 60.71 3pfl s THR 153 Cb -0.31 -3.80 0.33 0.00 1.34 0.00 0.00 72.50 70.06 3pfl s THR 153 CO 0.49 -0.22 2.10 1.55 -0.54 0.00 0.00 174.62 177.99 3pfl h PRO 154 N 1.60 0.00 -0.00 3.99 0.13 -1.99 -2.28 132.00 133.45 3pfl h PRO 154 Ca -0.50 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 64.63 3pfl h PRO 154 Cb 1.21 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.34 3pfl h PRO 154 CO 0.64 0.09 0.00 -0.44 -0.23 0.00 0.00 178.00 178.06 3pfl h ASP 155 N 0.00 0.00 -0.79 1.44 5.19 -1.97 -0.59 116.42 119.70 3pfl h ASP 155 Ca -0.00 -0.24 0.01 0.00 -0.62 0.00 0.00 57.03 56.18 3pfl h ASP 155 Cb 0.32 -0.00 -0.04 0.00 0.18 0.00 0.00 39.33 39.79 3pfl h ASP 155 CO 0.01 0.24 0.52 0.40 -3.12 0.00 0.00 179.24 177.29 3pfl h ILE 156 N -0.23 1.20 -0.71 0.35 2.04 -1.86 -0.03 117.51 118.25 3pfl h ILE 156 Ca 0.00 -0.36 -0.05 0.00 1.00 0.00 0.00 64.86 65.44 3pfl h ILE 156 Cb 0.24 0.04 -0.03 0.00 -0.74 0.00 0.00 36.82 36.33 3pfl h ILE 156 CO 0.00 0.19 0.23 -0.07 0.00 0.00 0.00 178.15 178.51 3pfl h LEU 157 N 1.06 1.02 -0.37 1.44 4.07 -1.14 0.05 115.31 121.44 3pfl h LEU 157 Ca 0.29 -0.18 -0.09 0.00 0.08 0.00 0.00 57.88 57.98 3pfl h LEU 157 Cb -0.11 -0.27 -0.01 0.00 1.08 0.00 0.00 40.66 41.35 3pfl h LEU 157 CO -0.06 0.94 -0.13 0.03 -1.08 0.00 0.00 178.44 178.14 3pfl h ARG 158 N 1.05 0.74 -0.62 1.13 3.08 0.08 -1.80 114.38 118.05 3pfl h ARG 158 Ca 0.23 -0.30 -0.01 0.00 0.07 0.00 0.00 59.98 59.97 3pfl h ARG 158 Cb 0.28 -0.03 -0.03 0.00 0.08 0.00 0.00 29.97 30.26 3pfl h ARG 158 CO -0.01 0.91 0.34 0.00 -1.07 0.00 0.00 179.97 180.14 3pfl h ARG 160 N 0.86 0.49 -0.22 0.00 2.43 -0.72 -2.30 114.38 114.92 3pfl h ARG 160 Ca 0.22 -0.12 -0.13 0.00 -0.81 0.00 0.00 59.98 59.15 3pfl h ARG 160 Cb 0.01 -0.07 -0.00 0.00 -0.42 0.00 0.00 29.97 29.50 3pfl h ARG 160 CO -0.04 0.56 -0.37 -0.22 -1.51 0.00 0.00 179.97 178.39 3pfl h LYS 161 N 0.34 0.63 0.00 0.20 3.64 -0.77 -3.26 116.57 117.36 3pfl h LYS 161 Ca 0.10 -0.39 -0.03 0.00 -1.27 0.00 0.00 60.65 59.05 3pfl h LYS 161 Cb 0.28 0.04 -0.00 0.00 -0.41 0.00 0.00 32.23 32.14 3pfl h LYS 161 CO -0.00 1.01 -0.16 0.66 -2.27 0.00 0.00 179.45 178.69 3pfl h SER 162 N 0.32 0.00 0.00 4.20 4.64 -0.76 -3.47 113.55 118.48 3pfl h SER 162 Ca 0.01 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.33 3pfl h SER 162 Cb 0.96 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.05 3pfl h SER 162 CO 0.08 0.16 0.00 0.61 -0.87 0.00 0.00 176.83 176.81 3pfl n GLY 163 N -0.22 1.25 0.11 -0.77 0.00 -1.01 -4.91 105.19 99.64 3pfl n GLY 163 Ca -0.01 -0.15 -0.14 0.00 0.00 0.00 0.00 46.02 45.72 3pfl n GLY 163 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 173.32 174.87 3pfl n VAL 164 N -1.87 1.45 -3.54 1.61 3.14 -0.93 -4.71 118.33 113.47 3pfl n VAL 164 Ca 0.00 -0.72 -0.29 0.00 -2.96 0.00 0.00 64.34 60.37 3pfl n VAL 164 Cb 0.03 -0.94 -0.12 0.00 -1.06 0.00 0.00 33.84 31.75 3pfl n VAL 164 CO 0.00 0.00 0.00 -0.76 -6.46 0.00 0.00 176.83 169.61 3pfl s LEU 165 N -6.01 1.75 0.09 6.55 1.43 -0.91 -0.88 118.68 120.70 3pfl s LEU 165 Ca -0.22 -2.57 0.04 0.00 -1.03 0.00 0.00 54.13 50.36 3pfl s LEU 165 Cb 0.07 -0.65 -0.03 0.00 0.03 0.00 0.00 46.19 45.61 3pfl s LEU 165 CO 0.72 -0.26 -0.12 -0.89 0.23 0.00 0.00 176.35 176.03 3pfl s THR 166 N 0.54 1.03 -0.12 5.49 2.01 -1.26 -2.98 115.64 120.34 3pfl s THR 166 Ca 0.21 -1.48 0.00 0.00 0.31 0.00 0.00 61.69 60.74 3pfl s THR 166 Cb -0.17 -1.21 0.00 0.00 0.01 0.00 0.00 72.50 71.13 3pfl s THR 166 CO -0.04 -0.40 0.00 0.61 -0.69 0.00 0.00 174.62 174.10 3pfl n GLY 167 N 0.90 0.38 3.83 4.40 0.00 -1.26 -4.67 105.19 108.76 3pfl n GLY 167 Ca -0.18 -0.91 -0.33 0.00 0.00 0.00 0.00 46.02 44.60 3pfl n GLY 167 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3pfl s LEU 168 N -0.35 3.84 -0.03 0.99 1.02 -1.26 -4.60 118.68 118.29 3pfl s LEU 168 Ca 0.00 1.64 -0.10 0.00 0.02 0.00 0.00 54.13 55.69 3pfl s LEU 168 Cb 0.00 -4.52 -0.12 0.00 0.02 0.00 0.00 46.19 41.57 3pfl s LEU 168 CO 0.00 -0.43 1.22 -0.81 0.02 0.00 0.00 176.35 176.34 3pfl n PRO 169 N -0.95 0.06 -0.00 1.29 -0.04 -1.26 -4.00 135.00 130.10 3pfl n PRO 169 Ca 0.07 -0.69 0.00 0.00 -0.04 0.00 0.00 63.50 62.84 3pfl n PRO 169 Cb 0.54 -2.17 0.00 0.00 -0.04 0.00 0.00 33.50 31.83 3pfl n PRO 169 CO 0.00 0.00 0.00 -0.40 -0.04 0.00 0.00 175.50 175.06 3pfl n ASP 170 N 6.24 1.09 -1.36 3.54 5.68 -1.26 -4.68 116.55 125.81 3pfl n ASP 170 Ca 0.16 -1.06 0.03 0.00 -0.50 0.00 0.00 54.79 53.42 3pfl n ASP 170 Cb 0.14 -0.00 0.01 0.00 -1.14 0.00 0.00 41.12 40.13 3pfl n ASP 170 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 3pfl n ALA 171 N 0.04 2.40 -3.61 2.12 0.00 -1.26 -4.28 120.51 115.92 3pfl n ALA 171 Ca 0.00 -2.09 -0.04 0.00 0.00 0.00 0.00 53.44 51.31 3pfl n ALA 171 Cb 0.03 -0.69 -0.02 0.00 0.00 0.00 0.00 19.45 18.77 3pfl n ALA 171 CO 0.00 0.00 0.00 1.52 0.00 0.00 0.00 177.50 179.02 3pfl s TYR 172 N 0.00 -0.11 0.29 0.00 -0.85 -1.26 -4.93 117.35 110.49 3pfl s TYR 172 Ca 0.28 0.10 -0.29 0.00 -0.52 0.00 0.00 57.07 56.64 3pfl s TYR 172 Cb 0.32 0.51 -0.13 0.00 0.38 0.00 0.00 41.96 43.03 3pfl s TYR 172 CO -0.14 -0.16 1.19 0.41 -1.52 0.00 0.00 175.55 175.34 3pfl n GLY 173 N 0.06 0.26 0.22 5.49 0.00 -1.26 -4.83 105.19 105.14 3pfl n GLY 173 Ca 0.01 0.37 -0.07 0.00 0.00 0.00 0.00 46.02 46.32 3pfl n GLY 173 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 3pfl h ARG 174 N 2.69 0.55 0.00 1.61 0.11 -1.89 -2.57 114.38 114.89 3pfl h ARG 174 Ca -0.43 -0.28 0.00 0.00 0.10 0.00 0.00 59.98 59.36 3pfl h ARG 174 Cb 1.31 0.01 0.00 0.00 1.11 0.00 0.00 29.97 32.40 3pfl h ARG 174 CO 0.65 0.87 0.00 0.41 0.10 0.00 0.00 179.97 182.00 3pfl n GLY 175 N 0.00 2.40 2.56 0.08 0.00 -1.26 -4.35 105.19 104.61 3pfl n GLY 175 Ca -0.02 -0.49 -0.16 0.00 0.00 0.00 0.00 46.02 45.35 3pfl n GLY 175 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3pfl n ARG 176 N 13.53 -2.40 -4.39 1.61 5.12 -1.19 -4.73 116.66 124.22 3pfl n ARG 176 Ca 0.00 0.69 -0.25 0.00 -1.93 0.00 0.00 57.85 56.36 3pfl n ARG 176 Cb 0.00 -5.34 -0.17 0.00 -1.16 0.00 0.00 32.46 25.80 3pfl n ARG 176 CO 0.00 0.00 0.00 0.42 -1.93 0.00 0.00 177.63 176.12 3pfl s ILE 177 N -2.77 1.09 -0.28 0.55 1.01 -1.26 -2.72 121.20 116.82 3pfl s ILE 177 Ca 0.06 -0.42 0.03 0.00 0.00 0.00 0.00 60.65 60.32 3pfl s ILE 177 Cb -0.03 -1.03 0.07 0.00 0.01 0.00 0.00 42.46 41.48 3pfl s ILE 177 CO 0.07 0.36 -0.07 -0.63 0.00 0.00 0.00 174.94 174.67 3pfl s ILE 178 N 0.95 2.18 0.40 2.92 1.01 -1.26 -4.56 121.20 122.85 3pfl s ILE 178 Ca -0.09 -1.81 -0.24 0.00 0.00 0.00 0.00 60.65 58.51 3pfl s ILE 178 Cb -0.15 -2.37 -0.09 0.00 0.01 0.00 0.00 42.46 39.86 3pfl s ILE 178 CO 0.00 -0.18 1.07 -0.83 0.00 0.00 0.00 174.94 175.01 3pfl s GLY 179 N 1.06 2.76 -1.10 6.18 0.00 -1.26 -4.23 107.32 110.72 3pfl s GLY 179 Ca -0.04 0.75 -0.22 0.00 0.00 0.00 0.00 44.72 45.21 3pfl s GLY 179 CO -0.06 1.19 1.67 -0.35 0.00 0.00 0.00 173.10 175.55 3pfl s ASP 180 N -1.50 6.22 0.59 1.64 -1.08 -0.91 -4.76 116.67 116.87 3pfl s ASP 180 Ca 0.58 -1.63 0.37 0.00 -0.52 0.00 0.00 52.55 51.35 3pfl s ASP 180 Cb -0.23 -2.57 1.81 0.00 -1.46 0.00 0.00 42.92 40.46 3pfl s ASP 180 CO 0.29 -1.78 2.16 1.88 0.52 0.00 0.00 175.17 178.24 3pfl h TYR 181 N 9.40 0.00 0.00 -5.34 0.05 -1.87 -2.27 116.97 116.94 3pfl h TYR 181 Ca 0.26 0.00 -0.02 0.00 0.05 0.00 0.00 58.73 59.01 3pfl h TYR 181 Cb 0.96 0.00 -0.00 0.00 1.01 0.00 0.00 36.73 38.70 3pfl h TYR 181 CO 1.31 0.02 -0.12 0.00 -1.05 0.00 0.00 178.16 178.32 3pfl h ARG 182 N 0.00 0.00 -0.96 4.88 3.08 -1.86 -2.97 114.38 116.55 3pfl h ARG 182 Ca -0.00 0.00 0.12 0.00 0.07 0.00 0.00 59.98 60.17 3pfl h ARG 182 Cb 0.28 0.00 -0.08 0.00 0.08 0.00 0.00 29.97 30.25 3pfl h ARG 182 CO 0.00 0.12 0.61 0.00 -1.07 0.00 0.00 179.97 179.63 3pfl h ARG 183 N 0.00 0.91 -0.03 0.04 3.08 -1.80 -1.64 114.38 114.94 3pfl h ARG 183 Ca -0.00 -0.05 -0.12 0.00 0.07 0.00 0.00 59.98 59.87 3pfl h ARG 183 Cb 0.23 -0.21 -0.01 0.00 0.08 0.00 0.00 29.97 30.06 3pfl h ARG 183 CO 0.02 0.60 -0.54 -0.24 -1.07 0.00 0.00 179.97 178.74 3pfl h VAL 184 N 0.94 1.38 -0.14 2.04 3.04 -1.73 -0.29 116.25 121.49 3pfl h VAL 184 Ca 0.47 -1.83 -0.21 0.00 -1.01 0.00 0.00 66.70 64.12 3pfl h VAL 184 Cb 0.49 1.95 0.01 0.00 -2.01 0.00 0.00 31.29 31.73 3pfl h VAL 184 CO -0.23 0.53 -0.73 0.00 -1.01 0.00 0.00 177.57 176.13 3pfl h ALA 185 N 1.38 0.27 -0.14 3.17 0.00 -1.50 -1.80 119.26 120.65 3pfl h ALA 185 Ca -0.00 -0.58 -0.08 0.00 0.00 0.00 0.00 54.91 54.24 3pfl h ALA 185 Cb 0.97 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.75 3pfl h ALA 185 CO 0.07 0.61 -0.23 1.25 0.00 0.00 0.00 179.25 180.96 3pfl h LEU 186 N 0.44 0.44 0.00 0.00 6.46 -1.19 0.21 115.31 121.67 3pfl h LEU 186 Ca -0.05 -0.54 -0.08 0.00 -0.12 0.00 0.00 57.88 57.10 3pfl h LEU 186 Cb 1.37 -0.13 -0.01 0.00 -0.73 0.00 0.00 40.66 41.16 3pfl h LEU 186 CO 0.15 0.89 -1.59 -1.22 -0.62 0.00 0.00 178.44 176.05 3pfl n TYR 187 N -4.47 0.00 0.00 1.25 4.01 -0.13 -4.64 117.16 113.18 3pfl n TYR 187 Ca -0.07 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.67 3pfl n TYR 187 Cb 0.43 -0.36 0.00 0.00 -0.31 0.00 0.00 39.34 39.10 3pfl n TYR 187 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3pfl n GLY 188 N 2.06 -0.47 0.05 2.72 0.00 -0.67 -3.82 105.19 105.06 3pfl n GLY 188 Ca -0.08 -1.60 -0.12 0.00 0.00 0.00 0.00 46.02 44.22 3pfl n GLY 188 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 3pfl h ILE 189 N 0.00 1.06 -0.81 -0.61 1.08 -1.12 -2.92 117.51 114.19 3pfl h ILE 189 Ca 0.00 -0.16 0.16 0.00 -0.39 0.00 0.00 64.86 64.47 3pfl h ILE 189 Cb 0.00 1.11 -0.10 0.00 -3.07 0.00 0.00 36.82 34.76 3pfl h ILE 189 CO 0.00 0.05 0.36 0.44 -0.69 0.00 0.00 178.15 178.31 3pfl h ASP 190 N -0.01 0.37 -0.65 1.72 5.19 -1.62 0.81 116.42 122.23 3pfl h ASP 190 Ca 0.01 0.11 -0.08 0.00 -0.62 0.00 0.00 57.03 56.46 3pfl h ASP 190 Cb 0.06 0.07 -0.03 0.00 0.18 0.00 0.00 39.33 39.61 3pfl h ASP 190 CO -0.00 0.12 0.11 0.22 -3.12 0.00 0.00 179.24 176.57 3pfl h TYR 191 N 0.50 1.15 -0.10 4.55 5.03 -1.71 -2.07 116.97 124.32 3pfl h TYR 191 Ca 0.46 -0.15 -0.11 0.00 2.58 0.00 0.00 58.73 61.50 3pfl h TYR 191 Cb 0.72 -0.32 -0.01 0.00 1.55 0.00 0.00 36.73 38.67 3pfl h TYR 191 CO -0.14 0.96 -0.44 -0.07 -1.32 0.00 0.00 178.16 177.16 3pfl h LEU 192 N 1.02 0.23 -0.68 2.82 3.38 -0.89 -2.32 115.31 118.87 3pfl h LEU 192 Ca 0.20 -0.10 -0.14 0.00 0.09 0.00 0.00 57.88 57.93 3pfl h LEU 192 Cb 0.43 -0.07 -0.01 0.00 0.09 0.00 0.00 40.66 41.11 3pfl h LEU 192 CO 0.01 0.65 -0.46 0.24 0.09 0.00 0.00 178.44 178.97 3pfl h MET 193 N 0.18 0.48 -0.42 1.13 2.86 -0.52 -1.50 114.93 117.14 3pfl h MET 193 Ca 0.01 -0.26 -0.12 0.00 -2.06 0.00 0.00 59.70 57.27 3pfl h MET 193 Cb 0.85 0.01 -0.01 0.00 0.06 0.00 0.00 31.60 32.51 3pfl h MET 193 CO 0.07 0.84 -0.23 -0.22 1.06 0.00 0.00 176.91 178.43 3pfl h LYS 194 N 0.38 0.85 -0.57 1.72 3.64 -1.19 -1.22 116.57 120.18 3pfl h LYS 194 Ca 0.02 -0.35 -0.07 0.00 -1.27 0.00 0.00 60.65 58.98 3pfl h LYS 194 Cb 0.95 -0.03 -0.02 0.00 -0.41 0.00 0.00 32.23 32.72 3pfl h LYS 194 CO 0.08 0.99 0.07 0.22 -2.27 0.00 0.00 179.45 178.54 3pfl h ASP 195 N 0.73 0.93 -0.49 4.20 3.58 -1.21 -1.97 116.42 122.19 3pfl h ASP 195 Ca 0.10 -0.27 -0.09 0.00 0.42 0.00 0.00 57.03 57.18 3pfl h ASP 195 Cb 0.76 -0.25 -0.02 0.00 1.72 0.00 0.00 39.33 41.55 3pfl h ASP 195 CO 0.06 0.97 -0.07 0.11 -2.88 0.00 0.00 179.24 177.43 3pfl h LYS 196 N 0.85 0.91 -0.77 0.28 1.79 -1.10 -1.64 116.57 116.89 3pfl h LYS 196 Ca 0.17 -0.32 0.03 0.00 -2.18 0.00 0.00 60.65 58.35 3pfl h LYS 196 Cb 0.45 -0.06 -0.04 0.00 -1.58 0.00 0.00 32.23 30.99 3pfl h LYS 196 CO 0.02 0.97 0.51 1.25 -1.08 0.00 0.00 179.45 181.11 3pfl h LEU 197 N 0.76 0.82 -0.38 2.94 5.85 -1.05 0.13 115.31 124.38 3pfl h LEU 197 Ca 0.13 -0.01 -0.07 0.00 0.84 0.00 0.00 57.88 58.77 3pfl h LEU 197 Cb 0.60 -0.19 -0.01 0.00 0.37 0.00 0.00 40.66 41.43 3pfl h LEU 197 CO 0.04 0.57 -0.03 0.00 -0.34 0.00 0.00 178.44 178.68 3pfl h ALA 198 N 1.55 0.52 -0.64 1.25 0.00 -1.02 -1.76 119.26 119.17 3pfl h ALA 198 Ca 0.30 -0.27 0.01 0.00 0.00 0.00 0.00 54.91 54.95 3pfl h ALA 198 Cb 0.03 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 17.65 3pfl h ALA 198 CO -0.09 0.32 0.42 1.96 0.00 0.00 0.00 179.25 181.86 3pfl h GLN 199 N 0.51 0.84 -0.46 0.00 4.20 -0.27 -1.47 115.11 118.46 3pfl h GLN 199 Ca 0.11 -0.05 0.04 0.00 0.06 0.00 0.00 58.65 58.81 3pfl h GLN 199 Cb 0.51 -0.19 -0.04 0.00 0.30 0.00 0.00 27.48 28.06 3pfl h GLN 199 CO 0.02 0.55 0.21 0.35 -0.67 0.00 0.00 178.83 179.30 3pfl h PHE 200 N 0.86 0.39 0.00 2.96 3.57 -0.59 -2.28 116.94 121.85 3pfl h PHE 200 Ca 0.23 0.02 -0.07 0.00 3.53 0.00 0.00 57.97 61.68 3pfl h PHE 200 Cb -0.10 -0.11 -0.01 0.00 2.79 0.00 0.00 35.95 38.52 3pfl h PHE 200 CO -0.03 0.18 -0.34 1.15 -2.23 0.00 0.00 178.31 177.05 3pfl h THR 201 N 0.43 0.95 0.00 4.41 2.02 -0.87 -2.89 112.91 116.96 3pfl h THR 201 Ca 0.21 -1.30 0.00 0.00 0.77 0.00 0.00 66.41 66.09 3pfl h THR 201 Cb 0.14 1.76 0.00 0.00 -1.74 0.00 0.00 68.15 68.31 3pfl h THR 201 CO -0.16 0.33 0.00 -1.54 0.37 0.00 0.00 175.52 174.52 3pfl n SER 202 N -3.72 0.00 -0.17 4.18 3.41 -0.60 -2.00 113.62 114.73 3pfl n SER 202 Ca -0.01 0.09 0.10 0.00 -0.26 0.00 0.00 58.87 58.79 3pfl n SER 202 Cb 0.44 -0.30 -0.07 0.00 -0.26 0.00 0.00 64.21 64.02 3pfl n SER 202 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 3pfl n LEU 203 N -1.30 1.30 -0.23 1.04 4.77 -1.09 -4.53 117.00 116.96 3pfl n LEU 203 Ca 0.07 -0.60 -0.03 0.00 -0.03 0.00 0.00 56.01 55.42 3pfl n LEU 203 Cb 0.12 0.00 0.07 0.00 -2.33 0.00 0.00 43.42 41.29 3pfl n LEU 203 CO 0.12 0.28 1.11 -0.61 -1.33 0.00 0.00 177.39 176.96 3pfl h GLN 204 N 0.84 0.74 0.54 3.23 4.15 -1.54 -2.22 115.11 120.85 3pfl h GLN 204 Ca 0.00 -0.04 -0.02 0.00 0.77 0.00 0.00 58.65 59.36 3pfl h GLN 204 Cb 0.55 -0.17 -0.02 0.00 0.21 0.00 0.00 27.48 28.06 3pfl h GLN 204 CO 0.00 0.49 -0.48 0.00 -1.93 0.00 0.00 178.83 176.91 3pfl h ALA 205 N 1.30 -1.10 -0.73 3.38 0.00 -1.80 -0.52 119.26 119.79 3pfl h ALA 205 Ca 0.27 -0.19 0.14 0.00 0.00 0.00 0.00 54.91 55.13 3pfl h ALA 205 Cb 0.06 0.67 -0.10 0.00 0.00 0.00 0.00 17.79 18.43 3pfl h ALA 205 CO -0.12 -1.16 0.24 -0.44 0.00 0.00 0.00 179.25 177.77 3pfl h ASP 206 N -1.01 0.17 0.53 0.00 3.32 -1.84 -0.04 116.42 117.56 3pfl h ASP 206 Ca -0.06 0.12 -0.02 0.00 0.02 0.00 0.00 57.03 57.09 3pfl h ASP 206 Cb 0.86 0.13 -0.02 0.00 0.22 0.00 0.00 39.33 40.52 3pfl h ASP 206 CO -0.03 0.05 -0.48 0.25 -1.72 0.00 0.00 179.24 177.31 3pfl h LEU 207 N 0.37 -1.29 -1.80 1.55 5.85 -1.00 -0.41 115.31 118.58 3pfl h LEU 207 Ca 0.40 0.10 0.14 0.00 0.84 0.00 0.00 57.88 59.36 3pfl h LEU 207 Cb 0.64 0.42 -0.03 0.00 0.37 0.00 0.00 40.66 42.05 3pfl h LEU 207 CO -0.44 -0.65 0.42 -0.33 -0.34 0.00 0.00 178.44 177.11 3pfl h GLU 208 N -0.99 0.20 -0.49 1.25 5.08 -0.41 -1.09 114.58 118.12 3pfl h GLU 208 Ca -0.07 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.28 3pfl h GLU 208 Cb 0.85 -0.05 0.00 0.00 0.50 0.00 0.00 28.75 30.05 3pfl h GLU 208 CO -0.03 0.13 0.00 0.09 -1.00 0.00 0.00 179.01 178.21 3pfl n ASN 209 N -4.43 2.61 -2.79 1.42 3.02 -0.09 -4.93 115.26 110.07 3pfl n ASN 209 Ca 0.11 -2.07 -0.21 0.00 -0.03 0.00 0.00 54.58 52.38 3pfl n ASN 209 Cb 0.53 -0.34 0.01 0.00 -0.61 0.00 0.00 39.78 39.37 3pfl n ASN 209 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3pfl n GLY 210 N 1.12 -0.51 3.56 7.41 0.00 -0.41 -4.95 105.19 111.41 3pfl n GLY 210 Ca 0.15 0.07 -0.42 0.00 0.00 0.00 0.00 46.02 45.82 3pfl n GLY 210 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3pfl s VAL 211 N -3.05 4.84 -1.35 1.61 1.01 -0.26 -4.02 120.40 119.18 3pfl s VAL 211 Ca 0.18 0.51 -0.01 0.00 0.00 0.00 0.00 61.98 62.65 3pfl s VAL 211 Cb -0.08 -4.14 -0.00 0.00 0.00 0.00 0.00 36.38 32.15 3pfl s VAL 211 CO 0.22 -0.42 0.55 0.59 0.00 0.00 0.00 175.10 176.04 3pfl n ASN 212 N 6.20 -0.90 -0.25 3.32 3.02 -1.26 -4.64 115.26 120.75 3pfl n ASN 212 Ca -0.01 -0.93 -0.07 0.00 -0.03 0.00 0.00 54.58 53.55 3pfl n ASN 212 Cb 0.48 -3.48 -0.06 0.00 -0.61 0.00 0.00 39.78 36.12 3pfl n ASN 212 CO 0.00 0.00 0.00 -0.11 -2.62 0.00 0.00 177.26 174.53 3pfl n LEU 213 N -4.33 -0.63 -0.21 3.41 7.94 -1.26 -1.09 117.00 120.83 3pfl n LEU 213 Ca -0.30 1.25 -0.09 0.00 -1.11 0.00 0.00 56.01 55.76 3pfl n LEU 213 Cb 0.68 -0.23 0.02 0.00 0.53 0.00 0.00 43.42 44.42 3pfl n LEU 213 CO 0.72 -0.96 0.81 -0.33 -1.11 0.00 0.00 177.39 176.52 3pfl h GLU 214 N 0.00 1.06 -0.52 1.96 5.08 -1.96 -1.76 114.58 118.45 3pfl h GLU 214 Ca 0.10 -0.34 -0.06 0.00 -1.00 0.00 0.00 59.36 58.05 3pfl h GLU 214 Cb 0.25 -0.09 -0.02 0.00 0.50 0.00 0.00 28.75 29.38 3pfl h GLU 214 CO -0.56 1.05 0.08 1.96 -1.00 0.00 0.00 179.01 180.53 3pfl h GLN 215 N 0.96 0.81 -0.30 2.33 7.50 -1.79 -1.78 115.11 122.85 3pfl h GLN 215 Ca 0.17 -0.18 -0.14 0.00 0.50 0.00 0.00 58.65 58.99 3pfl h GLN 215 Cb 0.57 -0.11 -0.00 0.00 0.05 0.00 0.00 27.48 27.99 3pfl h GLN 215 CO 0.03 0.76 -0.38 1.15 -1.50 0.00 0.00 178.83 178.90 3pfl h THR 216 N 0.77 1.29 -0.57 -0.54 2.02 -0.96 -2.00 112.91 112.92 3pfl h THR 216 Ca 0.16 -1.56 -0.06 0.00 0.77 0.00 0.00 66.41 65.72 3pfl h THR 216 Cb 0.35 1.59 -0.02 0.00 -1.74 0.00 0.00 68.15 68.32 3pfl h THR 216 CO 0.01 0.51 0.11 0.40 0.37 0.00 0.00 175.52 176.91 3pfl h ILE 217 N 0.55 1.25 0.03 3.11 2.04 -1.16 -0.97 117.51 122.36 3pfl h ILE 217 Ca 0.04 -0.95 -0.00 0.00 1.00 0.00 0.00 64.86 64.95 3pfl h ILE 217 Cb 0.97 0.76 0.00 0.00 -0.74 0.00 0.00 36.82 37.81 3pfl h ILE 217 CO 0.09 0.35 -0.01 -0.09 0.00 0.00 0.00 178.15 178.48 3pfl h ARG 218 N 0.84 -0.03 -0.78 2.37 2.43 -1.26 -1.80 114.38 116.15 3pfl h ARG 218 Ca 0.18 0.00 -0.02 0.00 -0.81 0.00 0.00 59.98 59.33 3pfl h ARG 218 Cb 0.39 0.01 -0.04 0.00 -0.42 0.00 0.00 29.97 29.91 3pfl h ARG 218 CO 0.01 -0.02 0.41 1.25 -1.51 0.00 0.00 179.97 180.10 3pfl h LEU 219 N -0.04 0.98 0.07 3.80 5.85 -1.26 -0.57 115.31 124.14 3pfl h LEU 219 Ca -0.00 -0.09 -0.00 0.00 0.84 0.00 0.00 57.88 58.62 3pfl h LEU 219 Cb 0.03 -0.25 0.00 0.00 0.37 0.00 0.00 40.66 40.81 3pfl h LEU 219 CO 0.01 0.81 -0.03 0.03 -0.34 0.00 0.00 178.44 178.91 3pfl h ARG 220 N 1.09 -0.09 -0.45 1.25 3.08 -0.89 -0.49 114.38 117.88 3pfl h ARG 220 Ca 0.27 0.01 -0.05 0.00 0.07 0.00 0.00 59.98 60.28 3pfl h ARG 220 Cb 0.06 0.02 -0.02 0.00 0.08 0.00 0.00 29.97 30.11 3pfl h ARG 220 CO -0.04 -0.06 0.08 1.49 -1.07 0.00 0.00 179.97 180.37 3pfl h GLU 221 N -0.10 0.69 -0.34 0.04 4.81 -1.02 -0.86 114.58 117.80 3pfl h GLU 221 Ca -0.01 -0.14 -0.03 0.00 -0.13 0.00 0.00 59.36 59.05 3pfl h GLU 221 Cb 0.08 -0.11 -0.01 0.00 0.63 0.00 0.00 28.75 29.34 3pfl h GLU 221 CO 0.02 0.65 0.10 0.93 -0.73 0.00 0.00 179.01 179.97 3pfl h GLU 222 N 0.67 0.54 -0.25 1.92 5.08 -0.81 -0.69 114.58 121.03 3pfl h GLU 222 Ca 0.15 -0.12 -0.07 0.00 -1.00 0.00 0.00 59.36 58.31 3pfl h GLU 222 Cb 0.29 -0.08 -0.01 0.00 0.50 0.00 0.00 28.75 29.45 3pfl h GLU 222 CO 0.00 0.58 -0.15 0.82 -1.00 0.00 0.00 179.01 179.27 3pfl h ILE 223 N 0.40 1.23 -0.48 3.13 2.04 -0.75 0.07 117.51 123.16 3pfl h ILE 223 Ca 0.11 -1.01 -0.07 0.00 1.00 0.00 0.00 64.86 64.88 3pfl h ILE 223 Cb 0.27 1.20 -0.02 0.00 -0.74 0.00 0.00 36.82 37.53 3pfl h ILE 223 CO -0.00 0.33 0.02 0.00 0.00 0.00 0.00 178.15 178.50 3pfl h ALA 224 N 1.45 0.64 0.00 1.87 0.00 -0.81 -0.09 119.26 122.32 3pfl h ALA 224 Ca 0.07 -0.27 -0.07 0.00 0.00 0.00 0.00 54.91 54.65 3pfl h ALA 224 Cb 0.50 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.10 3pfl h ALA 224 CO 0.03 0.43 -0.32 1.49 0.00 0.00 0.00 179.25 180.88 3pfl h GLU 225 N 0.69 0.00 -0.15 0.00 4.57 -0.59 -1.41 114.58 117.69 3pfl h GLU 225 Ca 0.14 0.00 -0.07 0.00 -1.18 0.00 0.00 59.36 58.24 3pfl h GLU 225 Cb 0.48 0.00 -0.00 0.00 -0.16 0.00 0.00 28.75 29.07 3pfl h GLU 225 CO 0.02 0.32 -0.19 1.96 -1.18 0.00 0.00 179.01 179.94 3pfl h GLN 226 N 0.00 0.39 -0.33 1.92 4.20 -0.41 -1.79 115.11 119.09 3pfl h GLN 226 Ca -0.00 -0.22 0.02 0.00 0.06 0.00 0.00 58.65 58.51 3pfl h GLN 226 Cb 0.65 0.02 -0.03 0.00 0.30 0.00 0.00 27.48 28.42 3pfl h GLN 226 CO 0.04 0.80 0.16 1.25 -0.67 0.00 0.00 178.83 180.41 3pfl h HIS 227 N 0.01 0.30 -0.08 2.96 2.76 -0.66 -1.66 115.15 118.78 3pfl h HIS 227 Ca 0.02 0.01 -0.03 0.00 -2.20 0.00 0.00 60.37 58.17 3pfl h HIS 227 Cb 0.75 -0.09 -0.01 0.00 1.55 0.00 0.00 27.41 29.62 3pfl h HIS 227 CO 0.09 0.16 -0.08 -0.09 -1.30 0.00 0.00 177.93 176.71 3pfl h ARG 228 N 0.34 0.12 -0.36 5.26 2.43 -1.23 -2.50 114.38 118.45 3pfl h ARG 228 Ca 0.14 -0.02 -0.14 0.00 -0.81 0.00 0.00 59.98 59.15 3pfl h ARG 228 Cb 0.05 -0.02 -0.01 0.00 -0.42 0.00 0.00 29.97 29.58 3pfl h ARG 228 CO -0.10 0.22 -0.33 0.00 -1.51 0.00 0.00 179.97 178.25 3pfl h ALA 229 N 1.80 0.52 -0.89 2.80 0.00 -0.43 -2.86 119.26 120.20 3pfl h ALA 229 Ca 0.03 -0.43 0.05 0.00 0.00 0.00 0.00 54.91 54.56 3pfl h ALA 229 Cb 0.23 -0.11 -0.06 0.00 0.00 0.00 0.00 17.79 17.85 3pfl h ALA 229 CO 0.01 0.58 0.58 -0.07 0.00 0.00 0.00 179.25 180.36 3pfl h LEU 230 N 0.65 0.92 -0.89 0.00 3.38 -0.91 -0.80 115.31 117.65 3pfl h LEU 230 Ca 0.06 -0.00 -0.07 0.00 0.09 0.00 0.00 57.88 57.96 3pfl h LEU 230 Cb 0.91 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 41.44 3pfl h LEU 230 CO 0.08 0.61 0.02 1.23 0.09 0.00 0.00 178.44 180.47 3pfl h GLY 231 N 1.05 0.90 1.83 0.83 0.00 -1.41 -2.35 103.07 103.93 3pfl h GLY 231 Ca 0.37 -0.60 -0.08 0.00 0.00 0.00 0.00 47.33 47.02 3pfl h GLY 231 CO -0.13 0.55 -0.30 1.46 0.00 0.00 0.00 176.54 178.12 3pfl h GLN 232 N 0.78 0.20 -0.79 4.80 4.20 -0.99 -2.45 115.11 120.85 3pfl h GLN 232 Ca 0.15 -0.07 0.03 0.00 0.06 0.00 0.00 58.65 58.83 3pfl h GLN 232 Cb 0.44 -0.01 -0.05 0.00 0.30 0.00 0.00 27.48 28.16 3pfl h GLN 232 CO 0.02 0.49 0.50 0.52 -0.67 0.00 0.00 178.83 179.69 3pfl h MET 233 N 0.17 0.95 -0.18 1.46 2.86 -0.65 0.84 114.93 120.38 3pfl h MET 233 Ca 0.02 -0.06 -0.00 0.00 -2.06 0.00 0.00 59.70 57.61 3pfl h MET 233 Cb 0.63 -0.21 -0.01 0.00 0.06 0.00 0.00 31.60 32.07 3pfl h MET 233 CO 0.05 0.63 0.11 0.87 1.06 0.00 0.00 176.91 179.62 3pfl h LYS 234 N 0.98 0.24 -0.93 1.72 1.57 -1.32 -1.21 116.57 117.62 3pfl h LYS 234 Ca 0.32 -0.02 0.02 0.00 -1.87 0.00 0.00 60.65 59.09 3pfl h LYS 234 Cb 0.02 -0.05 -0.05 0.00 0.08 0.00 0.00 32.23 32.23 3pfl h LYS 234 CO -0.11 0.22 0.61 0.93 -0.57 0.00 0.00 179.45 180.53 3pfl h GLU 235 N 0.20 1.21 -0.19 3.15 5.08 -1.20 0.61 114.58 123.44 3pfl h GLU 235 Ca 0.06 -0.07 0.02 0.00 -1.00 0.00 0.00 59.36 58.37 3pfl h GLU 235 Cb 0.04 -0.27 -0.02 0.00 0.50 0.00 0.00 28.75 28.99 3pfl h GLU 235 CO -0.01 0.80 0.06 1.98 -1.00 0.00 0.00 179.01 180.84 3pfl h MET 236 N 1.24 0.15 -0.39 2.33 4.05 -0.42 -2.39 114.93 119.50 3pfl h MET 236 Ca 0.35 -0.01 -0.02 0.00 -0.28 0.00 0.00 59.70 59.74 3pfl h MET 236 Cb -0.11 -0.03 -0.02 0.00 -0.80 0.00 0.00 31.60 30.64 3pfl h MET 236 CO -0.08 0.10 0.16 0.00 0.23 0.00 0.00 176.91 177.32 3pfl h ALA 237 N 1.12 0.51 -0.97 0.39 0.00 -0.65 -2.89 119.26 116.77 3pfl h ALA 237 Ca 0.08 -0.13 0.20 0.00 0.00 0.00 0.00 54.91 55.06 3pfl h ALA 237 Cb 0.06 -0.15 -0.11 0.00 0.00 0.00 0.00 17.79 17.58 3pfl h ALA 237 CO -0.09 0.11 0.55 0.00 0.00 0.00 0.00 179.25 179.82 3pfl h ALA 238 N 1.01 1.61 0.00 0.00 0.00 -0.57 1.01 119.26 122.32 3pfl h ALA 238 Ca 0.13 0.10 0.00 0.00 0.00 0.00 0.00 54.91 55.14 3pfl h ALA 238 Cb 0.17 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.95 3pfl h ALA 238 CO -0.01 -0.15 0.10 0.87 0.00 0.00 0.00 179.25 180.06 3pfl h LYS 239 N 0.65 0.00 -0.37 0.00 1.57 -1.21 0.33 116.57 117.54 3pfl h LYS 239 Ca 0.58 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.36 3pfl h LYS 239 Cb 0.96 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.27 3pfl h LYS 239 CO -0.42 0.00 0.00 0.66 -0.57 0.00 0.00 179.45 179.12 3pfl n TYR 240 N -2.97 0.47 -0.81 -1.35 4.02 0.35 -4.49 117.16 112.38 3pfl n TYR 240 Ca -0.03 -0.26 0.00 0.00 -0.01 0.00 0.00 57.90 57.60 3pfl n TYR 240 Cb 0.16 -0.00 0.00 0.00 -0.02 0.00 0.00 39.34 39.48 3pfl n TYR 240 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 3pfl n GLY 241 N 1.36 0.59 3.69 2.72 0.00 0.12 -5.05 105.19 108.63 3pfl n GLY 241 Ca 0.18 -0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.87 3pfl n GLY 241 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3pfl s TYR 242 N -2.00 3.12 -0.36 1.61 1.51 -1.09 -4.96 117.35 115.17 3pfl s TYR 242 Ca 0.00 0.12 -0.04 0.00 -1.01 0.00 0.00 57.07 56.14 3pfl s TYR 242 Cb 0.00 -1.71 0.07 0.00 -0.11 0.00 0.00 41.96 40.21 3pfl s TYR 242 CO 0.00 0.47 0.13 0.34 -1.11 0.00 0.00 175.55 175.38 3pfl s ASP 243 N -1.41 5.22 -0.23 2.29 -1.08 -1.26 -2.62 116.67 117.58 3pfl s ASP 243 Ca 0.18 -1.51 0.14 0.00 -0.52 0.00 0.00 52.55 50.84 3pfl s ASP 243 Cb -0.12 -1.83 0.69 0.00 -1.46 0.00 0.00 42.92 40.21 3pfl s ASP 243 CO 0.09 -0.41 1.63 2.30 0.52 0.00 0.00 175.17 179.30 3pfl n ILE 244 N 4.70 2.62 0.08 4.11 -5.35 -1.26 -4.44 119.36 119.82 3pfl n ILE 244 Ca -0.09 -1.68 -0.00 0.00 -0.27 0.00 0.00 62.75 60.71 3pfl n ILE 244 Cb 0.43 -0.29 0.30 0.00 -1.74 0.00 0.00 39.64 38.35 3pfl n ILE 244 CO 0.00 0.00 0.00 0.77 -1.76 0.00 0.00 176.55 175.56 3pfl h SER 245 N 2.85 0.30 -1.52 7.28 4.64 -1.94 -1.74 113.55 123.41 3pfl h SER 245 Ca 0.05 -0.08 -0.45 0.00 -0.47 0.00 0.00 61.79 60.84 3pfl h SER 245 Cb 1.83 -0.08 0.00 0.00 -0.31 0.00 0.00 62.40 63.84 3pfl h SER 245 CO 0.43 0.53 -0.31 -0.83 -0.87 0.00 0.00 176.83 175.78 3pfl s GLY 246 N -4.07 1.96 0.79 -0.77 0.00 -1.26 -1.86 107.32 102.11 3pfl s GLY 246 Ca -0.06 -1.71 -0.13 0.00 0.00 0.00 0.00 44.72 42.82 3pfl s GLY 246 CO 0.76 -1.54 1.15 -4.14 0.00 0.00 0.00 173.10 169.33 3pfl s PRO 247 N -4.25 1.89 0.12 2.90 0.02 -1.25 -4.26 135.00 130.17 3pfl s PRO 247 Ca 0.51 1.54 -0.31 0.00 0.02 0.00 0.00 61.00 62.76 3pfl s PRO 247 Cb -0.08 -1.83 -0.08 0.00 0.02 0.00 0.00 34.50 32.53 3pfl s PRO 247 CO 0.31 -1.98 1.40 0.00 -0.33 0.00 0.00 177.00 176.41 3pfl s ALA 248 N -2.41 3.61 0.01 -1.55 0.00 0.73 -4.92 121.76 117.23 3pfl s ALA 248 Ca 0.69 1.14 0.05 0.00 0.00 0.00 0.00 51.96 53.83 3pfl s ALA 248 Cb -0.24 -3.54 -0.24 0.00 0.00 0.00 0.00 23.12 19.10 3pfl s ALA 248 CO 0.51 -0.63 0.88 1.15 0.00 0.00 0.00 175.76 177.67 3pfl h THR 249 N 4.23 1.18 -2.73 0.00 2.02 -1.88 -3.46 112.91 112.26 3pfl h THR 249 Ca -0.42 -2.91 -0.12 0.00 0.77 0.00 0.00 66.41 63.73 3pfl h THR 249 Cb 1.21 2.66 -0.03 0.00 -1.74 0.00 0.00 68.15 70.24 3pfl h THR 249 CO 0.87 0.75 -0.12 -0.46 0.37 0.00 0.00 175.52 176.93 3pfl n ASN 250 N -3.29 -0.19 0.02 4.18 0.23 -1.26 -4.90 115.26 110.04 3pfl n ASN 250 Ca -0.13 -1.57 -0.12 0.00 -0.53 0.00 0.00 54.58 52.23 3pfl n ASN 250 Cb 1.02 0.44 -0.08 0.00 -2.08 0.00 0.00 39.78 39.08 3pfl n ASN 250 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 3pfl h ALA 251 N 1.29 0.00 -0.89 -2.53 0.00 -1.95 -0.65 119.26 114.54 3pfl h ALA 251 Ca -0.06 -0.08 0.16 0.00 0.00 0.00 0.00 54.91 54.93 3pfl h ALA 251 Cb 0.31 -0.00 -0.10 0.00 0.00 0.00 0.00 17.79 18.00 3pfl h ALA 251 CO 0.09 -0.42 0.47 0.37 0.00 0.00 0.00 179.25 179.76 3pfl h GLN 252 N -0.14 0.63 0.03 0.00 5.75 -1.97 -1.15 115.11 118.25 3pfl h GLN 252 Ca 0.00 -0.04 -0.21 0.00 -0.15 0.00 0.00 58.65 58.25 3pfl h GLN 252 Cb 0.15 -0.14 -0.01 0.00 1.07 0.00 0.00 27.48 28.55 3pfl h GLN 252 CO -0.00 0.42 -0.96 0.93 -2.65 0.00 0.00 178.83 176.57 3pfl h GLU 253 N 0.65 0.18 -0.54 1.69 5.08 -1.91 -1.69 114.58 118.02 3pfl h GLU 253 Ca 0.49 -0.22 0.01 0.00 -1.00 0.00 0.00 59.36 58.64 3pfl h GLU 253 Cb 0.72 0.07 -0.03 0.00 0.50 0.00 0.00 28.75 30.01 3pfl h GLU 253 CO -0.37 1.01 0.36 0.00 -1.00 0.00 0.00 179.01 179.00 3pfl h ALA 254 N 0.91 0.69 0.05 3.43 0.00 0.02 0.44 119.26 124.81 3pfl h ALA 254 Ca -0.05 -0.04 -0.00 0.00 0.00 0.00 0.00 54.91 54.82 3pfl h ALA 254 Cb 1.63 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 19.20 3pfl h ALA 254 CO 0.15 0.12 -0.03 0.82 0.00 0.00 0.00 179.25 180.31 3pfl h ILE 255 N 0.73 1.17 -0.37 0.00 2.04 -1.27 -2.02 117.51 117.78 3pfl h ILE 255 Ca 0.20 -0.75 0.01 0.00 1.00 0.00 0.00 64.86 65.32 3pfl h ILE 255 Cb -0.07 1.66 -0.02 0.00 -0.74 0.00 0.00 36.82 37.65 3pfl h ILE 255 CO -0.05 0.19 0.23 -0.61 0.00 0.00 0.00 178.15 177.92 3pfl h GLN 256 N -0.41 0.46 -0.63 2.37 5.75 -1.06 -0.92 115.11 120.68 3pfl h GLN 256 Ca -0.01 -0.03 0.01 0.00 -0.15 0.00 0.00 58.65 58.47 3pfl h GLN 256 Cb 0.36 -0.10 -0.03 0.00 1.07 0.00 0.00 27.48 28.78 3pfl h GLN 256 CO 0.01 0.31 0.41 -1.49 -2.65 0.00 0.00 178.83 175.42 3pfl h TRP 257 N 0.48 0.78 -0.41 3.99 -0.00 -0.15 0.14 115.95 120.79 3pfl h TRP 257 Ca 0.14 0.02 -0.06 0.00 -0.00 0.00 0.00 58.89 59.00 3pfl h TRP 257 Cb -0.03 -0.26 -0.02 0.00 -0.00 0.00 0.00 29.16 28.85 3pfl h TRP 257 CO -0.06 0.49 0.04 1.15 -0.00 0.00 0.00 178.44 180.05 3pfl h THR 258 N 0.84 1.25 -0.64 1.49 2.02 -1.09 -2.59 112.91 114.19 3pfl h THR 258 Ca 0.23 -0.94 -0.08 0.00 0.77 0.00 0.00 66.41 66.39 3pfl h THR 258 Cb -0.09 1.07 -0.02 0.00 -1.74 0.00 0.00 68.15 67.36 3pfl h THR 258 CO -0.05 0.32 0.07 0.22 0.37 0.00 0.00 175.52 176.45 3pfl h TYR 259 N 0.54 1.14 -0.61 3.16 3.20 -0.90 -2.30 116.97 121.20 3pfl h TYR 259 Ca 0.12 -0.17 0.08 0.00 3.14 0.00 0.00 58.73 61.91 3pfl h TYR 259 Cb 0.42 -0.31 -0.04 0.00 1.54 0.00 0.00 36.73 38.34 3pfl h TYR 259 CO 0.03 0.97 0.41 0.74 -1.64 0.00 0.00 178.16 178.67 3pfl h PHE 260 N 0.99 0.51 -0.45 -3.82 0.04 -0.53 0.33 116.94 114.01 3pfl h PHE 260 Ca 0.19 0.01 -0.08 0.00 2.80 0.00 0.00 57.97 60.89 3pfl h PHE 260 Cb 0.47 -0.17 -0.02 0.00 2.20 0.00 0.00 35.95 38.44 3pfl h PHE 260 CO 0.03 0.26 -0.04 0.78 -0.60 0.00 0.00 178.31 178.74 3pfl h GLY 261 N 0.50 0.90 1.68 -1.45 0.00 -1.03 -2.63 103.07 101.04 3pfl h GLY 261 Ca 0.27 -0.69 -0.14 0.00 0.00 0.00 0.00 47.33 46.77 3pfl h GLY 261 CO -0.08 0.63 -0.54 -1.82 0.00 0.00 0.00 176.54 174.74 3pfl h TYR 262 N 0.67 0.42 -0.59 5.60 3.20 -0.95 -3.19 116.97 122.13 3pfl h TYR 262 Ca 0.12 -0.14 -0.03 0.00 3.14 0.00 0.00 58.73 61.82 3pfl h TYR 262 Cb 0.56 -0.08 -0.03 0.00 1.54 0.00 0.00 36.73 38.72 3pfl h TYR 262 CO 0.04 0.80 0.26 1.25 -1.64 0.00 0.00 178.16 178.88 3pfl h LEU 263 N 0.26 0.80 -0.95 2.82 5.85 -0.23 -1.65 115.31 122.21 3pfl h LEU 263 Ca 0.01 -0.15 0.06 0.00 0.84 0.00 0.00 57.88 58.64 3pfl h LEU 263 Cb 1.03 -0.21 -0.06 0.00 0.37 0.00 0.00 40.66 41.79 3pfl h LEU 263 CO 0.09 0.72 0.61 0.00 -0.34 0.00 0.00 178.44 179.52 3pfl h ALA 264 N 1.10 1.31 0.18 1.25 0.00 -1.46 -1.23 119.26 120.41 3pfl h ALA 264 Ca 0.20 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 55.08 3pfl h ALA 264 Cb 0.16 -0.29 0.00 0.00 0.00 0.00 0.00 17.79 17.66 3pfl h ALA 264 CO -0.02 0.40 -0.09 0.00 0.00 0.00 0.00 179.25 179.55 3pfl h ALA 265 N 1.43 -0.24 0.00 0.00 0.00 -1.39 -2.27 119.26 116.79 3pfl h ALA 265 Ca 0.41 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 55.21 3pfl h ALA 265 Cb 0.14 0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.02 3pfl h ALA 265 CO -0.16 -0.56 0.00 1.33 0.00 0.00 0.00 179.25 179.85 3pfl n VAL 266 N -5.13 0.00 0.26 0.00 0.24 -0.68 -0.79 118.33 112.22 3pfl n VAL 266 Ca -0.09 0.00 0.09 0.00 -2.04 0.00 0.00 64.34 62.30 3pfl n VAL 266 Cb 0.17 -0.47 -0.13 0.00 -1.47 0.00 0.00 33.84 31.94 3pfl n VAL 266 CO 0.00 0.00 0.00 0.29 -2.14 0.00 0.00 176.83 174.98 3pfl n LYS 267 N -0.88 0.70 -0.00 7.34 5.02 -0.50 -4.63 118.16 125.22 3pfl n LYS 267 Ca 0.15 -0.12 0.01 0.00 -2.02 0.00 0.00 58.31 56.32 3pfl n LYS 267 Cb 0.07 -1.42 -0.01 0.00 -0.02 0.00 0.00 35.03 33.65 3pfl n LYS 267 CO 0.00 0.00 0.00 -1.13 -0.52 0.00 0.00 177.40 175.75 3pfl n SER 268 N -1.93 4.31 -4.18 4.39 3.41 -0.75 -3.59 113.62 115.29 3pfl n SER 268 Ca -0.01 -0.05 -0.24 0.00 -0.26 0.00 0.00 58.87 58.31 3pfl n SER 268 Cb 0.43 1.04 -0.15 0.00 -0.26 0.00 0.00 64.21 65.27 3pfl n SER 268 CO 0.00 0.00 0.00 -1.10 -0.16 0.00 0.00 175.04 173.78 3pfl s GLN 269 N -1.98 1.28 0.00 4.33 -1.52 0.03 -4.98 119.66 116.82 3pfl s GLN 269 Ca -0.00 -0.72 0.29 0.00 -1.95 0.00 0.00 55.36 52.97 3pfl s GLN 269 Cb 0.01 -1.29 1.20 0.00 -0.22 0.00 0.00 33.01 32.71 3pfl s GLN 269 CO 0.04 0.34 1.90 0.09 -0.25 0.00 0.00 175.29 177.41 3pfl n ASN 270 N 2.30 0.05 0.00 5.90 5.03 -1.26 -4.63 115.26 122.64 3pfl n ASN 270 Ca -0.16 0.39 0.00 0.00 0.87 0.00 0.00 54.58 55.68 3pfl n ASN 270 Cb 0.54 -0.42 0.00 0.00 -1.02 0.00 0.00 39.78 38.88 3pfl n ASN 270 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 3pfl n GLY 271 N 1.48 0.00 0.28 7.41 0.00 -1.26 -4.02 105.19 109.09 3pfl n GLY 271 Ca 0.07 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 46.06 3pfl n GLY 271 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3pfl h ALA 272 N 0.00 0.95 -3.18 4.61 0.00 -1.65 -3.38 119.26 116.60 3pfl h ALA 272 Ca 0.00 -0.02 -0.65 0.00 0.00 0.00 0.00 54.91 54.24 3pfl h ALA 272 Cb 0.00 -0.23 -0.34 0.00 0.00 0.00 0.00 17.79 17.21 3pfl h ALA 272 CO 0.00 0.24 -0.86 0.00 0.00 0.00 0.00 179.25 178.63 3pfl s ALA 273 N -6.11 2.12 -0.63 0.00 0.00 -1.26 -4.62 121.76 111.26 3pfl s ALA 273 Ca -0.13 -1.03 0.06 0.00 0.00 0.00 0.00 51.96 50.86 3pfl s ALA 273 Cb 0.16 -1.00 0.23 0.00 0.00 0.00 0.00 23.12 22.51 3pfl s ALA 273 CO 0.77 -0.12 0.68 -1.33 0.00 0.00 0.00 175.76 175.76 3pfl n MET 274 N 4.24 2.23 -1.97 0.00 2.00 -1.00 -3.18 117.12 119.45 3pfl n MET 274 Ca -0.20 -4.51 -0.37 0.00 0.00 0.00 0.00 57.70 52.63 3pfl n MET 274 Cb 0.51 -2.17 0.03 0.00 0.00 0.00 0.00 33.22 31.59 3pfl n MET 274 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 175.97 174.85 3pfl s SER 275 N -2.16 5.29 0.03 7.83 0.01 -1.07 -4.24 113.70 119.40 3pfl s SER 275 Ca 0.37 2.49 -0.14 0.00 1.31 0.00 0.00 55.95 59.97 3pfl s SER 275 Cb 0.11 -2.61 -0.35 0.00 0.21 0.00 0.00 66.02 63.39 3pfl s SER 275 CO -0.05 -1.53 1.00 0.15 0.41 0.00 0.00 173.24 173.22 3pfl h PHE 276 N 1.15 0.92 0.00 2.43 3.57 -1.46 -3.45 116.94 120.10 3pfl h PHE 276 Ca -0.50 -0.67 0.00 0.00 3.53 0.00 0.00 57.97 60.33 3pfl h PHE 276 Cb 1.30 -0.04 0.00 0.00 2.79 0.00 0.00 35.95 40.00 3pfl h PHE 276 CO 0.47 1.53 0.00 0.41 -2.23 0.00 0.00 178.31 178.49 3pfl n GLY 277 N 1.70 0.23 2.86 2.40 0.00 -0.13 -4.77 105.19 107.47 3pfl n GLY 277 Ca -0.16 -1.92 -0.29 0.00 0.00 0.00 0.00 46.02 43.65 3pfl n GLY 277 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 3pfl s ARG 278 N 0.00 1.86 -0.01 1.61 6.06 -1.26 -0.64 118.95 126.57 3pfl s ARG 278 Ca 0.00 -2.60 0.03 0.00 -2.50 0.00 0.00 55.73 50.66 3pfl s ARG 278 Cb 0.00 -3.02 -0.04 0.00 0.06 0.00 0.00 34.95 31.95 3pfl s ARG 278 CO 0.00 -1.17 0.05 0.25 -2.50 0.00 0.00 175.30 171.92 3pfl n THR 279 N 2.97 0.07 -0.09 4.11 -2.24 -1.26 -4.69 114.28 113.15 3pfl n THR 279 Ca 0.10 -0.09 -0.07 0.00 -2.27 0.00 0.00 64.05 61.72 3pfl n THR 279 Cb 0.34 -0.09 -0.01 0.00 -2.10 0.00 0.00 70.33 68.47 3pfl n THR 279 CO 0.00 0.00 0.00 0.77 -0.57 0.00 0.00 175.07 175.27 3pfl h SER 280 N 0.00 -0.92 -0.49 3.42 4.64 -1.92 0.52 113.55 118.80 3pfl h SER 280 Ca -0.03 0.17 -0.02 0.00 -0.47 0.00 0.00 61.79 61.44 3pfl h SER 280 Cb 0.53 0.44 -0.02 0.00 -0.31 0.00 0.00 62.40 63.04 3pfl h SER 280 CO 0.00 -0.30 0.23 0.74 -0.87 0.00 0.00 176.83 176.64 3pfl h THR 281 N -0.24 1.19 -0.32 2.95 2.02 -1.87 -1.91 112.91 114.73 3pfl h THR 281 Ca 0.16 -0.54 0.07 0.00 0.77 0.00 0.00 66.41 66.87 3pfl h THR 281 Cb 0.50 0.65 -0.06 0.00 -1.74 0.00 0.00 68.15 67.49 3pfl h THR 281 CO -0.48 0.21 -0.10 0.15 0.37 0.00 0.00 175.52 175.67 3pfl h PHE 282 N 0.64 -0.23 0.00 3.16 3.57 -1.67 -0.73 116.94 121.69 3pfl h PHE 282 Ca 0.17 0.03 -0.04 0.00 3.53 0.00 0.00 57.97 61.66 3pfl h PHE 282 Cb 0.12 0.15 -0.01 0.00 2.79 0.00 0.00 35.95 39.00 3pfl h PHE 282 CO -0.01 -0.17 -0.17 -0.07 -2.23 0.00 0.00 178.31 175.66 3pfl h LEU 283 N -0.03 0.00 -1.81 0.59 3.38 -0.64 -2.44 115.31 114.35 3pfl h LEU 283 Ca 0.16 0.00 0.01 0.00 0.09 0.00 0.00 57.88 58.14 3pfl h LEU 283 Cb 0.27 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.01 3pfl h LEU 283 CO -0.34 0.17 0.15 -0.78 0.09 0.00 0.00 178.44 177.73 3pfl h ASP 284 N 0.00 0.22 -0.82 -0.43 3.58 -0.32 -1.30 116.42 117.35 3pfl h ASP 284 Ca -0.00 -0.00 0.06 0.00 0.42 0.00 0.00 57.03 57.50 3pfl h ASP 284 Cb 0.40 -0.05 -0.06 0.00 1.72 0.00 0.00 39.33 41.34 3pfl h ASP 284 CO 0.02 0.16 0.50 0.58 -2.88 0.00 0.00 179.24 177.62 3pfl h VAL 285 N 0.26 1.04 0.00 2.25 2.07 -1.37 0.22 116.25 120.72 3pfl h VAL 285 Ca 0.09 -0.32 -0.18 0.00 0.82 0.00 0.00 66.70 67.11 3pfl h VAL 285 Cb 0.03 0.03 -0.02 0.00 -1.52 0.00 0.00 31.29 29.81 3pfl h VAL 285 CO -0.02 0.17 -0.84 1.88 0.02 0.00 0.00 177.57 178.78 3pfl h TYR 286 N 0.92 0.09 -0.09 1.57 -1.99 -1.41 -2.93 116.97 113.14 3pfl h TYR 286 Ca 0.36 -0.05 -0.04 0.00 2.00 0.00 0.00 58.73 61.00 3pfl h TYR 286 Cb 0.16 -0.01 -0.00 0.00 2.00 0.00 0.00 36.73 38.88 3pfl h TYR 286 CO -0.04 0.87 -0.09 0.82 -0.00 0.00 0.00 178.16 179.72 3pfl h ILE 287 N 0.03 1.36 0.24 -2.88 2.04 -0.79 -2.57 117.51 114.95 3pfl h ILE 287 Ca -0.02 -1.24 0.01 0.00 1.00 0.00 0.00 64.86 64.61 3pfl h ILE 287 Cb 1.47 1.99 -0.04 0.00 -0.74 0.00 0.00 36.82 39.50 3pfl h ILE 287 CO 0.12 0.35 -0.47 -0.33 0.00 0.00 0.00 178.15 177.81 3pfl h GLU 288 N -0.20 -0.76 -0.56 2.37 4.39 -0.63 -0.12 114.58 119.06 3pfl h GLU 288 Ca 0.01 0.05 0.11 0.00 0.34 0.00 0.00 59.36 59.88 3pfl h GLU 288 Cb 0.60 0.17 -0.11 0.00 -0.10 0.00 0.00 28.75 29.31 3pfl h GLU 288 CO 0.02 -0.51 -0.19 -0.09 -1.16 0.00 0.00 179.01 177.09 3pfl h ARG 289 N -0.79 -0.05 -0.40 2.33 2.43 -1.57 0.28 114.38 116.60 3pfl h ARG 289 Ca -0.01 0.00 -0.05 0.00 -0.81 0.00 0.00 59.98 59.11 3pfl h ARG 289 Cb 0.76 0.01 -0.02 0.00 -0.42 0.00 0.00 29.97 30.30 3pfl h ARG 289 CO -0.20 -0.03 0.06 -0.44 -1.51 0.00 0.00 179.97 177.85 3pfl h ASP 290 N -0.05 0.57 0.68 -3.80 5.19 -1.18 -1.81 116.42 116.02 3pfl h ASP 290 Ca 0.26 -0.10 -0.03 0.00 -0.62 0.00 0.00 57.03 56.54 3pfl h ASP 290 Cb 0.46 -0.15 0.01 0.00 0.18 0.00 0.00 39.33 39.82 3pfl h ASP 290 CO -0.60 0.61 -0.33 0.25 -3.12 0.00 0.00 179.24 176.05 3pfl h LEU 291 N 0.60 -0.77 -1.99 1.55 5.85 0.93 0.19 115.31 121.67 3pfl h LEU 291 Ca 0.13 0.00 0.25 0.00 0.84 0.00 0.00 57.88 59.10 3pfl h LEU 291 Cb 0.29 0.20 -0.03 0.00 0.37 0.00 0.00 40.66 41.49 3pfl h LEU 291 CO 0.00 -0.41 0.63 0.11 -0.34 0.00 0.00 178.44 178.43 3pfl h LYS 292 N -1.17 0.00 -0.23 1.25 6.56 -0.42 1.12 116.57 123.68 3pfl h LYS 292 Ca -0.09 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.50 3pfl h LYS 292 Cb 0.73 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 32.39 3pfl h LYS 292 CO 0.15 0.00 0.00 0.00 -2.06 0.00 0.00 179.45 177.54 3pfl n ALA 293 N -2.69 2.50 -2.61 3.86 0.00 -0.69 -4.90 120.51 115.97 3pfl n ALA 293 Ca 0.18 -0.58 -0.20 0.00 0.00 0.00 0.00 53.44 52.83 3pfl n ALA 293 Cb 0.93 -1.05 0.00 0.00 0.00 0.00 0.00 19.45 19.34 3pfl n ALA 293 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3pfl n GLY 294 N 1.15 -0.51 0.10 0.00 0.00 0.39 -4.85 105.19 101.46 3pfl n GLY 294 Ca 0.16 0.04 0.08 0.00 0.00 0.00 0.00 46.02 46.29 3pfl n GLY 294 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 3pfl n LYS 295 N -3.28 0.61 -3.97 1.61 4.81 0.64 -4.91 118.16 113.68 3pfl n LYS 295 Ca -0.19 0.13 -0.12 0.00 -0.87 0.00 0.00 58.31 57.26 3pfl n LYS 295 Cb 0.65 -1.80 -0.13 0.00 0.02 0.00 0.00 35.03 33.78 3pfl n LYS 295 CO 0.00 0.00 0.00 0.42 1.17 0.00 0.00 177.40 178.99 3pfl s ILE 296 N -3.24 0.15 0.64 3.15 1.09 -1.13 -5.01 121.20 116.85 3pfl s ILE 296 Ca -0.02 -0.42 -0.02 0.00 -1.10 0.00 0.00 60.65 59.10 3pfl s ILE 296 Cb 0.10 -0.20 0.07 0.00 -1.06 0.00 0.00 42.46 41.37 3pfl s ILE 296 CO 0.80 -0.17 0.90 0.42 -0.10 0.00 0.00 174.94 176.80 3pfl s THR 297 N -0.60 2.42 0.15 2.92 -4.23 -1.26 -4.41 115.64 110.62 3pfl s THR 297 Ca -0.06 -0.53 -0.10 0.00 -1.18 0.00 0.00 61.69 59.82 3pfl s THR 297 Cb -0.04 -2.88 -0.06 0.00 1.34 0.00 0.00 72.50 70.86 3pfl s THR 297 CO -0.00 0.00 1.46 -0.08 -0.54 0.00 0.00 174.62 175.46 3pfl h GLU 298 N -0.29 0.87 -0.02 3.99 4.57 -1.99 -2.22 114.58 119.49 3pfl h GLU 298 Ca -0.41 -0.50 -0.06 0.00 -1.18 0.00 0.00 59.36 57.22 3pfl h GLU 298 Cb 1.29 0.03 -0.01 0.00 -0.16 0.00 0.00 28.75 29.91 3pfl h GLU 298 CO 0.51 1.14 -0.25 0.37 -1.18 0.00 0.00 179.01 179.60 3pfl h GLN 299 N 0.70 0.03 0.00 1.92 4.15 -1.94 -0.86 115.11 119.11 3pfl h GLN 299 Ca 0.04 -0.01 -0.07 0.00 0.77 0.00 0.00 58.65 59.38 3pfl h GLN 299 Cb 1.05 -0.00 -0.01 0.00 0.21 0.00 0.00 27.48 28.72 3pfl h GLN 299 CO 0.10 0.28 -0.35 0.93 -1.93 0.00 0.00 178.83 177.87 3pfl h GLU 300 N 0.03 0.00 -0.00 1.69 5.08 -1.89 -2.26 114.58 117.22 3pfl h GLU 300 Ca 0.00 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.36 3pfl h GLU 300 Cb 0.46 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.71 3pfl h GLU 300 CO 0.03 0.35 -0.00 0.00 -1.00 0.00 0.00 179.01 178.39 3pfl h ALA 301 N 1.65 0.00 -0.88 3.43 0.00 -0.56 -2.81 119.26 120.11 3pfl h ALA 301 Ca -0.00 -0.23 -0.01 0.00 0.00 0.00 0.00 54.91 54.66 3pfl h ALA 301 Cb 0.95 -0.00 -0.04 0.00 0.00 0.00 0.00 17.79 18.70 3pfl h ALA 301 CO 0.04 -0.26 0.51 1.96 0.00 0.00 0.00 179.25 181.51 3pfl h GLN 302 N -0.46 1.20 -0.30 0.00 1.08 -1.34 -2.35 115.11 112.95 3pfl h GLN 302 Ca 0.00 -0.12 0.05 0.00 -1.45 0.00 0.00 58.65 57.13 3pfl h GLN 302 Cb 0.47 -0.25 -0.04 0.00 -0.05 0.00 0.00 27.48 27.61 3pfl h GLN 302 CO 0.00 0.85 0.04 1.49 -0.95 0.00 0.00 178.83 180.26 3pfl h GLU 303 N 1.21 0.13 -0.06 1.46 4.81 -1.40 0.53 114.58 121.26 3pfl h GLU 303 Ca 0.31 -0.01 0.02 0.00 -0.13 0.00 0.00 59.36 59.56 3pfl h GLU 303 Cb -0.03 -0.03 -0.02 0.00 0.63 0.00 0.00 28.75 29.30 3pfl h GLU 303 CO -0.06 0.09 -0.08 0.52 -0.73 0.00 0.00 179.01 178.75 3pfl h MET 304 N 0.13 -0.11 -0.64 1.92 2.86 -1.21 0.84 114.93 118.73 3pfl h MET 304 Ca 0.14 0.01 0.02 0.00 -2.06 0.00 0.00 59.70 57.81 3pfl h MET 304 Cb 0.17 0.02 -0.04 0.00 0.06 0.00 0.00 31.60 31.81 3pfl h MET 304 CO -0.21 -0.07 0.41 0.28 1.06 0.00 0.00 176.91 178.38 3pfl h VAL 305 N -0.11 1.12 -0.46 -2.22 2.07 -0.92 -0.50 116.25 115.23 3pfl h VAL 305 Ca 0.05 -0.28 0.03 0.00 0.82 0.00 0.00 66.70 67.32 3pfl h VAL 305 Cb 0.18 0.22 -0.04 0.00 -1.52 0.00 0.00 31.29 30.14 3pfl h VAL 305 CO -0.12 0.15 0.25 0.44 0.02 0.00 0.00 177.57 178.31 3pfl h ASP 306 N 0.82 0.38 0.60 0.57 3.32 0.55 0.36 116.42 123.03 3pfl h ASP 306 Ca 0.25 0.02 -0.06 0.00 0.02 0.00 0.00 57.03 57.26 3pfl h ASP 306 Cb -0.03 -0.06 -0.01 0.00 0.22 0.00 0.00 39.33 39.45 3pfl h ASP 306 CO -0.08 0.27 -0.29 0.45 -1.72 0.00 0.00 179.24 177.87 3pfl h HIS 307 N 0.50 0.00 0.12 4.55 3.86 -0.32 0.40 115.15 124.25 3pfl h HIS 307 Ca 0.19 0.00 -0.01 0.00 -1.16 0.00 0.00 60.37 59.40 3pfl h HIS 307 Cb 0.07 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.54 3pfl h HIS 307 CO -0.09 0.29 -0.06 1.25 0.86 0.00 0.00 177.93 180.18 3pfl h LEU 308 N 0.00 -0.14 -1.86 2.43 5.85 -0.14 -2.84 115.31 118.62 3pfl h LEU 308 Ca -0.00 -0.41 0.01 0.00 0.84 0.00 0.00 57.88 58.32 3pfl h LEU 308 Cb 0.67 0.03 -0.01 0.00 0.37 0.00 0.00 40.66 41.72 3pfl h LEU 308 CO 0.04 0.47 0.12 0.58 -0.34 0.00 0.00 178.44 179.31 3pfl h VAL 309 N -0.88 1.01 -0.50 1.05 2.07 -0.16 -1.92 116.25 116.92 3pfl h VAL 309 Ca -0.02 -0.06 -0.06 0.00 0.82 0.00 0.00 66.70 67.38 3pfl h VAL 309 Cb 0.54 0.81 -0.02 0.00 -1.52 0.00 0.00 31.29 31.10 3pfl h VAL 309 CO 0.03 0.03 0.06 -0.03 0.02 0.00 0.00 177.57 177.68 3pfl h MET 310 N 0.18 0.84 -0.42 1.57 1.85 -0.22 -1.72 114.93 117.01 3pfl h MET 310 Ca 0.07 -0.23 -0.06 0.00 -0.61 0.00 0.00 59.70 58.87 3pfl h MET 310 Cb 0.06 -0.09 -0.02 0.00 0.43 0.00 0.00 31.60 31.98 3pfl h MET 310 CO -0.01 0.84 0.02 0.87 -0.40 0.00 0.00 176.91 178.22 3pfl h LYS 311 N 0.71 0.66 0.00 0.39 1.79 -1.11 -1.12 116.57 117.89 3pfl h LYS 311 Ca 0.15 -0.15 -0.03 0.00 -2.18 0.00 0.00 60.65 58.43 3pfl h LYS 311 Cb 0.42 -0.09 -0.00 0.00 -1.58 0.00 0.00 32.23 30.98 3pfl h LYS 311 CO 0.01 0.67 -0.16 -0.07 -1.08 0.00 0.00 179.45 178.82 3pfl h LEU 312 N 0.63 0.00 -0.10 2.94 3.38 -0.95 0.82 115.31 122.03 3pfl h LEU 312 Ca 0.13 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.10 3pfl h LEU 312 Cb 0.37 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.12 3pfl h LEU 312 CO 0.01 0.16 -0.04 0.54 0.09 0.00 0.00 178.44 179.21 3pfl n ARG 313 N -3.66 0.65 -0.11 1.13 1.74 -0.45 -3.57 116.66 112.39 3pfl n ARG 313 Ca -0.01 -0.10 0.06 0.00 -0.77 0.00 0.00 57.85 57.03 3pfl n ARG 313 Cb 0.28 -1.50 0.11 0.00 -1.02 0.00 0.00 32.46 30.34 3pfl n ARG 313 CO 0.00 0.00 0.00 -1.33 -1.52 0.00 0.00 177.63 174.78 3pfl n MET 314 N -1.09 1.95 -2.35 5.56 2.81 0.27 -4.98 117.12 119.28 3pfl n MET 314 Ca 0.16 -1.71 -0.42 0.00 -1.81 0.00 0.00 57.70 53.93 3pfl n MET 314 Cb 0.23 -1.25 -0.03 0.00 -0.71 0.00 0.00 33.22 31.46 3pfl n MET 314 CO 0.00 0.00 0.00 0.08 1.51 0.00 0.00 175.97 177.56 3pfl s VAL 315 N -0.98 3.88 0.06 2.03 1.01 -1.16 -4.54 120.40 120.69 3pfl s VAL 315 Ca 0.20 1.33 0.01 0.00 0.00 0.00 0.00 61.98 63.52 3pfl s VAL 315 Cb 0.11 -3.85 -0.03 0.00 0.00 0.00 0.00 36.38 32.61 3pfl s VAL 315 CO 0.15 0.08 -0.06 -0.13 0.00 0.00 0.00 175.10 175.15 3pfl s ARG 316 N 1.31 0.61 -0.04 2.72 1.81 -1.26 -4.94 118.95 119.16 3pfl s ARG 316 Ca 0.60 -1.00 -0.03 0.00 -1.72 0.00 0.00 55.73 53.58 3pfl s ARG 316 Cb -0.31 -0.12 0.02 0.00 -0.45 0.00 0.00 34.95 34.09 3pfl s ARG 316 CO 0.28 -0.01 0.11 -0.06 -0.68 0.00 0.00 175.30 174.94 3pfl s PHE 317 N -2.53 -0.12 -0.16 -0.53 0.08 -1.26 -4.74 117.98 108.72 3pfl s PHE 317 Ca -0.01 0.31 -0.29 0.00 0.12 0.00 0.00 56.93 57.05 3pfl s PHE 317 Cb -0.02 0.01 -0.03 0.00 -0.57 0.00 0.00 43.02 42.42 3pfl s PHE 317 CO -0.03 -0.07 1.44 -1.17 -0.10 0.00 0.00 175.22 175.28 3pfl s LEU 318 N 0.25 4.12 0.16 -0.37 0.20 -1.26 -5.01 118.68 116.78 3pfl s LEU 318 Ca -0.02 1.76 0.07 0.00 0.69 0.00 0.00 54.13 56.64 3pfl s LEU 318 Cb -0.03 -3.54 -0.04 0.00 -0.43 0.00 0.00 46.19 42.16 3pfl s LEU 318 CO -0.01 -0.94 -0.16 -0.13 -0.29 0.00 0.00 176.35 174.82 3pfl s ARG 319 N 3.95 1.21 0.51 1.98 1.81 -1.26 -5.02 118.95 122.13 3pfl s ARG 319 Ca 0.63 -1.41 -0.05 0.00 -1.72 0.00 0.00 55.73 53.18 3pfl s ARG 319 Cb -0.25 -1.13 -0.03 0.00 -0.45 0.00 0.00 34.95 33.10 3pfl s ARG 319 CO 0.22 0.21 0.82 0.95 -0.68 0.00 0.00 175.30 176.82 3pfl s THR 320 N -2.37 4.62 0.50 0.02 -4.23 -1.26 -4.77 115.64 108.16 3pfl s THR 320 Ca 0.16 0.17 0.17 0.00 -1.18 0.00 0.00 61.69 61.00 3pfl s THR 320 Cb -0.04 -3.77 0.30 0.00 1.34 0.00 0.00 72.50 70.33 3pfl s THR 320 CO 0.05 -0.77 2.10 -0.65 -0.54 0.00 0.00 174.62 174.81 3pfl h PRO 321 N 0.12 0.09 -0.55 3.99 0.11 -1.97 0.13 132.00 133.93 3pfl h PRO 321 Ca -0.46 -0.01 -0.04 0.00 0.11 0.00 0.00 66.00 65.60 3pfl h PRO 321 Cb 1.22 -0.02 -0.02 0.00 0.11 0.00 0.00 31.00 32.28 3pfl h PRO 321 CO 0.61 0.06 0.21 1.49 -0.21 0.00 0.00 178.00 180.16 3pfl h GLU 322 N 0.10 0.83 -0.59 1.05 4.81 -2.00 -2.50 114.58 116.28 3pfl h GLU 322 Ca 0.09 -0.16 -0.09 0.00 -0.13 0.00 0.00 59.36 59.07 3pfl h GLU 322 Cb 0.23 -0.13 -0.02 0.00 0.63 0.00 0.00 28.75 29.46 3pfl h GLU 322 CO -0.01 0.74 0.02 -0.92 -0.73 0.00 0.00 179.01 178.10 3pfl h TYR 323 N 0.76 1.09 -0.14 0.92 5.03 -1.42 -2.76 116.97 120.44 3pfl h TYR 323 Ca 0.18 -0.17 0.03 0.00 2.58 0.00 0.00 58.73 61.35 3pfl h TYR 323 Cb 0.23 -0.29 -0.01 0.00 1.55 0.00 0.00 36.73 38.21 3pfl h TYR 323 CO 0.01 0.96 0.10 0.22 -1.32 0.00 0.00 178.16 178.13 3pfl h ASP 324 N 0.93 0.06 0.77 -2.11 3.58 -0.67 0.24 116.42 119.23 3pfl h ASP 324 Ca 0.17 -0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.62 3pfl h ASP 324 Cb 0.52 -0.01 0.00 0.00 1.72 0.00 0.00 39.33 41.55 3pfl h ASP 324 CO 0.03 0.04 -0.58 -1.84 -2.88 0.00 0.00 179.24 174.01 3pfl n GLU 325 N -4.51 0.21 -0.00 0.28 0.28 -1.02 -3.01 120.64 112.88 3pfl n GLU 325 Ca 0.00 0.06 -0.12 0.00 -0.16 0.00 0.00 57.16 56.94 3pfl n GLU 325 Cb 0.18 -1.63 -0.14 0.00 1.43 0.00 0.00 31.44 31.28 3pfl n GLU 325 CO 0.00 0.00 0.00 -0.07 -0.16 0.00 0.00 177.13 176.90 3pfl h LEU 326 N 0.00 0.14 -6.61 -1.84 4.07 -1.12 -3.42 115.31 106.52 3pfl h LEU 326 Ca 0.00 -0.28 -0.59 0.00 0.08 0.00 0.00 57.88 57.09 3pfl h LEU 326 Cb 0.68 -0.04 -0.39 0.00 1.08 0.00 0.00 40.66 41.98 3pfl h LEU 326 CO 0.00 1.25 -0.86 -0.36 -1.08 0.00 0.00 178.44 177.39 3pfl s PHE 327 N -2.60 1.20 0.71 1.13 0.08 -0.03 -2.34 117.98 116.15 3pfl s PHE 327 Ca -0.09 -2.08 -0.11 0.00 0.12 0.00 0.00 56.93 54.77 3pfl s PHE 327 Cb 0.08 -1.18 0.02 0.00 -0.57 0.00 0.00 43.02 41.37 3pfl s PHE 327 CO 0.81 -0.81 1.07 -1.54 -0.10 0.00 0.00 175.22 174.66 3pfl s SER 328 N 0.49 5.11 0.00 1.36 1.04 -1.16 -4.34 113.70 116.20 3pfl s SER 328 Ca 0.23 1.71 0.00 0.00 0.48 0.00 0.00 55.95 58.37 3pfl s SER 328 Cb -0.14 -2.51 0.00 0.00 0.10 0.00 0.00 66.02 63.48 3pfl s SER 328 CO -0.07 -1.63 0.00 0.61 0.98 0.00 0.00 173.24 173.14 3pfl n GLY 329 N -1.62 0.42 3.78 7.32 0.00 -1.26 -4.08 105.19 109.75 3pfl n GLY 329 Ca 0.08 -1.02 -0.26 0.00 0.00 0.00 0.00 46.02 44.82 3pfl n GLY 329 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 3pfl n ASP 330 N 1.86 -2.20 -4.81 1.61 2.03 -1.26 -4.70 116.55 109.08 3pfl n ASP 330 Ca 0.00 -0.95 -0.32 0.00 0.52 0.00 0.00 54.79 54.04 3pfl n ASP 330 Cb 0.00 -3.48 0.03 0.00 -0.72 0.00 0.00 41.12 36.94 3pfl n ASP 330 CO 0.00 0.00 0.00 -2.16 -1.92 0.00 0.00 177.20 173.12 3pfl s PRO 331 N -6.17 3.16 0.00 -0.67 0.04 -1.26 -4.99 135.00 125.11 3pfl s PRO 331 Ca 0.16 1.10 0.00 0.00 0.04 0.00 0.00 61.00 62.30 3pfl s PRO 331 Cb -0.05 -2.01 0.00 0.00 0.04 0.00 0.00 34.50 32.47 3pfl s PRO 331 CO 0.86 -0.93 0.00 1.51 0.04 0.00 0.00 177.00 178.47 3pfl n ILE 332 N -2.48 0.00 -3.08 0.56 0.13 -1.26 -4.96 119.36 108.26 3pfl n ILE 332 Ca 0.08 0.00 -0.13 0.00 -1.10 0.00 0.00 62.75 61.60 3pfl n ILE 332 Cb 0.53 -0.23 0.06 0.00 -0.84 0.00 0.00 39.64 39.17 3pfl n ILE 332 CO 0.00 0.00 0.00 0.79 2.80 0.00 0.00 176.55 180.14 3pfl n TRP 333 N -1.13 -1.68 -2.24 9.51 8.01 -1.26 -2.36 117.44 126.28 3pfl n TRP 333 Ca 0.00 0.69 -0.43 0.00 -1.31 0.00 0.00 57.50 56.45 3pfl n TRP 333 Cb 0.13 -4.16 0.00 0.00 -2.01 0.00 0.00 31.31 25.27 3pfl n TRP 333 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.69 176.68 3pfl n ALA 334 N -3.48 4.69 -2.37 6.99 0.00 -1.26 -2.59 120.51 122.49 3pfl n ALA 334 Ca -0.16 -3.98 -0.42 0.00 0.00 0.00 0.00 53.44 48.88 3pfl n ALA 334 Cb 0.61 -3.41 -0.03 0.00 0.00 0.00 0.00 19.45 16.61 3pfl n ALA 334 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 3pfl s THR 335 N 2.88 4.26 -0.12 0.00 2.01 -1.26 -1.23 115.64 122.18 3pfl s THR 335 Ca 0.48 1.74 0.03 0.00 0.31 0.00 0.00 61.69 64.25 3pfl s THR 335 Cb 0.08 -4.11 0.01 0.00 0.01 0.00 0.00 72.50 68.48 3pfl s THR 335 CO -0.01 0.20 -0.23 -0.70 -0.69 0.00 0.00 174.62 173.19 3pfl s GLU 336 N 0.49 3.04 -0.33 4.92 -6.30 -0.95 -0.96 118.70 118.62 3pfl s GLU 336 Ca 0.53 -0.86 -0.14 0.00 -2.50 0.00 0.00 54.97 52.00 3pfl s GLU 336 Cb -0.26 -2.38 -0.02 0.00 0.00 0.00 0.00 34.13 31.46 3pfl s GLU 336 CO 0.31 0.07 0.29 -1.12 0.02 0.00 0.00 175.26 174.82 3pfl s SER 337 N 0.61 6.11 0.04 -1.70 0.01 0.19 -0.56 113.70 118.39 3pfl s SER 337 Ca -0.12 -0.23 0.04 0.00 1.31 0.00 0.00 55.95 56.95 3pfl s SER 337 Cb -0.17 -2.16 -0.04 0.00 0.21 0.00 0.00 66.02 63.87 3pfl s SER 337 CO 0.03 -0.24 -0.05 -0.63 0.41 0.00 0.00 173.24 172.76 3pfl s ILE 338 N 1.86 3.72 0.00 1.44 1.01 0.15 -4.36 121.20 125.02 3pfl s ILE 338 Ca 0.09 -0.88 0.00 0.00 0.00 0.00 0.00 60.65 59.86 3pfl s ILE 338 Cb -0.17 -2.67 0.00 0.00 0.01 0.00 0.00 42.46 39.63 3pfl s ILE 338 CO 0.11 0.29 0.00 0.61 0.00 0.00 0.00 174.94 175.95 3pfl n GLY 339 N 1.21 1.38 0.00 6.18 0.00 -1.26 -0.66 105.19 112.03 3pfl n GLY 339 Ca -0.14 -0.57 0.00 0.00 0.00 0.00 0.00 46.02 45.30 3pfl n GLY 339 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3pfl n GLY 340 N 0.00 -0.68 3.22 -0.02 0.00 -0.94 -4.45 105.19 102.32 3pfl n GLY 340 Ca 0.00 -1.74 -0.23 0.00 0.00 0.00 0.00 46.02 44.05 3pfl n GLY 340 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 3pfl s MET 341 N -1.01 1.13 0.89 1.61 -1.94 -1.26 -0.64 119.30 118.08 3pfl s MET 341 Ca 0.00 -0.93 -0.14 0.00 -1.71 0.00 0.00 55.69 52.91 3pfl s MET 341 Cb 0.00 -1.23 0.14 0.00 2.01 0.00 0.00 34.83 35.75 3pfl s MET 341 CO 0.00 0.30 1.24 0.20 -0.01 0.00 0.00 175.02 176.75 3pfl s GLY 342 N -1.38 1.67 0.43 -0.03 0.00 0.05 -4.81 107.32 103.25 3pfl s GLY 342 Ca 0.04 -0.90 0.24 0.00 0.00 0.00 0.00 44.72 44.10 3pfl s GLY 342 CO 0.02 -0.27 1.76 1.41 0.00 0.00 0.00 173.10 176.02 3pfl h LEU 343 N -1.36 0.00 -1.34 0.66 3.38 -1.93 -3.00 115.31 111.72 3pfl h LEU 343 Ca -0.45 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.52 3pfl h LEU 343 Cb 1.29 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.04 3pfl h LEU 343 CO 0.53 0.22 0.00 -0.90 0.09 0.00 0.00 178.44 178.38 3pfl n ASP 344 N -3.29 1.83 0.00 -0.43 5.75 -1.26 -4.92 116.55 114.23 3pfl n ASP 344 Ca 0.01 -2.16 0.00 0.00 -0.01 0.00 0.00 54.79 52.63 3pfl n ASP 344 Cb 0.48 -0.40 0.00 0.00 -1.03 0.00 0.00 41.12 40.17 3pfl n ASP 344 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3pfl n GLY 345 N 0.40 2.76 3.82 6.12 0.00 -1.13 -5.03 105.19 112.13 3pfl n GLY 345 Ca 0.07 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.77 3pfl n GLY 345 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 3pfl s ARG 346 N -0.06 3.39 0.30 1.61 1.70 -1.26 -4.76 118.95 119.87 3pfl s ARG 346 Ca 0.00 1.05 -0.25 0.00 -0.47 0.00 0.00 55.73 56.06 3pfl s ARG 346 Cb 0.00 -2.05 -0.10 0.00 -0.57 0.00 0.00 34.95 32.24 3pfl s ARG 346 CO 0.00 -0.74 0.91 -0.08 -1.08 0.00 0.00 175.30 174.31 3pfl s THR 347 N -2.70 4.25 -2.31 4.99 -1.32 -1.26 -0.77 115.64 116.52 3pfl s THR 347 Ca 0.60 1.76 0.25 0.00 -1.21 0.00 0.00 61.69 63.10 3pfl s THR 347 Cb -0.14 -4.00 0.56 0.00 -1.51 0.00 0.00 72.50 67.41 3pfl s THR 347 CO 0.42 0.17 1.73 0.18 -2.21 0.00 0.00 174.62 174.91 3pfl n LEU 348 N 0.63 1.23 -4.77 9.08 7.99 0.19 -4.64 117.00 126.70 3pfl n LEU 348 Ca 0.01 -0.46 -0.41 0.00 -0.01 0.00 0.00 56.01 55.15 3pfl n LEU 348 Cb 0.50 -0.04 -0.01 0.00 -0.11 0.00 0.00 43.42 43.76 3pfl n LEU 348 CO 0.44 0.23 1.03 -0.69 -1.51 0.00 0.00 177.39 176.89 3pfl s VAL 349 N -1.92 2.48 0.28 4.08 1.01 -1.25 -4.58 120.40 120.49 3pfl s VAL 349 Ca 0.36 0.47 0.03 0.00 0.00 0.00 0.00 61.98 62.85 3pfl s VAL 349 Cb 0.19 -3.30 -0.03 0.00 0.00 0.00 0.00 36.38 33.24 3pfl s VAL 349 CO 0.30 0.11 0.25 0.42 0.00 0.00 0.00 175.10 176.18 3pfl s THR 350 N -1.15 0.00 0.32 3.92 -4.23 -1.26 -1.81 115.64 111.43 3pfl s THR 350 Ca 0.51 -1.95 -0.01 0.00 -1.18 0.00 0.00 61.69 59.07 3pfl s THR 350 Cb -0.42 -2.50 0.26 0.00 1.34 0.00 0.00 72.50 71.18 3pfl s THR 350 CO 0.56 0.00 1.98 0.11 -0.54 0.00 0.00 174.62 176.73 3pfl h LYS 351 N 2.31 1.00 0.00 3.99 1.57 -1.91 0.18 116.57 123.71 3pfl h LYS 351 Ca -0.29 -0.06 -0.02 0.00 -1.87 0.00 0.00 60.65 58.41 3pfl h LYS 351 Cb 1.24 -0.23 -0.00 0.00 0.08 0.00 0.00 32.23 33.32 3pfl h LYS 351 CO 0.42 0.66 -0.08 -0.97 -0.57 0.00 0.00 179.45 178.92 3pfl h ASN 352 N 1.03 0.00 -0.51 0.86 -1.24 -1.95 -0.34 115.58 113.43 3pfl h ASN 352 Ca 0.28 0.00 -0.00 0.00 0.71 0.00 0.00 56.30 57.29 3pfl h ASN 352 Cb -0.11 0.00 -0.02 0.00 0.73 0.00 0.00 38.32 38.92 3pfl h ASN 352 CO -0.06 0.08 0.30 0.28 -1.29 0.00 0.00 177.43 176.74 3pfl h SER 353 N 0.00 0.62 -0.31 1.15 0.02 -1.25 -1.80 113.55 111.98 3pfl h SER 353 Ca -0.00 -0.06 -0.15 0.00 -0.84 0.00 0.00 61.79 60.73 3pfl h SER 353 Cb 0.27 -0.16 -0.00 0.00 0.14 0.00 0.00 62.40 62.65 3pfl h SER 353 CO 0.01 0.50 -0.41 -0.26 -1.14 0.00 0.00 176.83 175.53 3pfl h PHE 354 N 0.68 1.00 -0.90 3.45 -1.00 -1.10 -3.06 116.94 116.02 3pfl h PHE 354 Ca 0.18 -0.33 0.14 0.00 2.81 0.00 0.00 57.97 60.77 3pfl h PHE 354 Cb -0.00 -0.20 -0.07 0.00 3.61 0.00 0.00 35.95 39.29 3pfl h PHE 354 CO -0.03 1.13 0.58 0.00 -1.61 0.00 0.00 178.31 178.38 3pfl h ARG 355 N 0.59 0.71 0.10 1.51 3.08 -0.88 0.10 114.38 119.60 3pfl h ARG 355 Ca 0.04 -0.04 -0.01 0.00 0.07 0.00 0.00 59.98 60.04 3pfl h ARG 355 Cb 1.01 -0.16 0.00 0.00 0.08 0.00 0.00 29.97 30.90 3pfl h ARG 355 CO 0.10 0.47 -0.05 0.74 -1.07 0.00 0.00 179.97 180.16 3pfl h PHE 356 N 0.73 -0.13 -0.26 3.04 -1.00 -1.25 -2.96 116.94 115.11 3pfl h PHE 356 Ca 0.45 -0.00 0.00 0.00 2.81 0.00 0.00 57.97 61.23 3pfl h PHE 356 Cb 0.68 0.04 -0.01 0.00 3.61 0.00 0.00 35.95 40.27 3pfl h PHE 356 CO -0.00 0.26 0.17 -0.07 -1.61 0.00 0.00 178.31 177.07 3pfl h LEU 357 N -0.55 0.30 -0.84 1.54 4.07 -1.37 -1.54 115.31 116.91 3pfl h LEU 357 Ca -0.01 -0.01 0.00 0.00 0.08 0.00 0.00 57.88 57.94 3pfl h LEU 357 Cb 0.45 -0.07 0.00 0.00 1.08 0.00 0.00 40.66 42.12 3pfl h LEU 357 CO 0.02 0.21 0.00 -3.20 -1.08 0.00 0.00 178.44 174.40 3pfl n ASN 358 N -4.50 0.44 0.23 -0.43 5.15 -0.01 -1.39 115.26 114.75 3pfl n ASN 358 Ca 0.01 0.66 0.09 0.00 -0.60 0.00 0.00 54.58 54.75 3pfl n ASN 358 Cb 0.08 -0.74 0.51 0.00 -0.53 0.00 0.00 39.78 39.10 3pfl n ASN 358 CO 0.00 0.00 0.00 0.71 1.40 0.00 0.00 177.26 179.37 3pfl h THR 359 N 0.00 0.68 -0.10 -0.44 1.35 -1.19 0.12 112.91 113.33 3pfl h THR 359 Ca 0.00 -1.03 -0.04 0.00 -0.55 0.00 0.00 66.41 64.79 3pfl h THR 359 Cb 0.13 1.66 -0.01 0.00 -1.73 0.00 0.00 68.15 68.20 3pfl h THR 359 CO 0.00 0.23 -0.11 -0.07 -0.25 0.00 0.00 175.52 175.32 3pfl h LEU 360 N 0.00 0.14 0.00 3.87 -0.00 -1.39 0.10 115.31 118.03 3pfl h LEU 360 Ca -0.00 -0.02 -0.22 0.00 -0.00 0.00 0.00 57.88 57.64 3pfl h LEU 360 Cb 0.64 -0.04 -0.03 0.00 -0.00 0.00 0.00 40.66 41.23 3pfl h LEU 360 CO 0.03 0.28 -1.22 1.88 -0.00 0.00 0.00 178.44 179.41 3pfl h TYR 361 N 0.14 0.00 -0.82 1.13 0.05 -1.55 -0.49 116.97 115.42 3pfl h TYR 361 Ca 0.03 0.00 0.16 0.00 0.05 0.00 0.00 58.73 58.97 3pfl h TYR 361 Cb 0.30 0.00 -0.06 0.00 1.01 0.00 0.00 36.73 37.98 3pfl h TYR 361 CO 0.00 1.40 0.54 0.00 -1.05 0.00 0.00 178.16 179.06 3pfl h THR 362 N -1.00 0.77 0.00 -2.88 1.03 -0.75 -3.00 112.91 107.09 3pfl h THR 362 Ca -0.33 -0.16 0.00 0.00 -0.01 0.00 0.00 66.41 65.91 3pfl h THR 362 Cb 1.26 0.25 0.00 0.00 -1.07 0.00 0.00 68.15 68.59 3pfl h THR 362 CO -0.20 0.09 -0.13 0.23 -0.01 0.00 0.00 175.52 175.49 3pfl n MET 363 N -4.51 1.03 -0.09 0.00 2.81 0.35 -4.65 117.12 112.07 3pfl n MET 363 Ca 0.16 -1.41 0.01 0.00 -1.81 0.00 0.00 57.70 54.66 3pfl n MET 363 Cb 0.56 -0.88 -0.00 0.00 -0.71 0.00 0.00 33.22 32.19 3pfl n MET 363 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 3pfl n GLY 364 N -0.49 -1.42 3.77 3.03 0.00 -0.20 -4.89 105.19 104.99 3pfl n GLY 364 Ca 0.04 -1.51 -0.38 0.00 0.00 0.00 0.00 46.02 44.17 3pfl n GLY 364 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 3pfl s PRO 365 N -1.23 3.85 -0.15 1.61 0.02 -1.18 -4.19 135.00 133.72 3pfl s PRO 365 Ca 0.00 1.93 -0.15 0.00 0.02 0.00 0.00 61.00 62.80 3pfl s PRO 365 Cb 0.00 -2.56 0.04 0.00 0.02 0.00 0.00 34.50 32.00 3pfl s PRO 365 CO 0.00 -0.52 0.42 0.45 -0.33 0.00 0.00 177.00 177.02 3pfl s SER 366 N -1.10 -0.44 0.26 2.53 0.15 -1.26 -4.84 113.70 109.00 3pfl s SER 366 Ca 0.61 0.82 0.04 0.00 0.70 0.00 0.00 55.95 58.12 3pfl s SER 366 Cb -0.33 0.84 0.35 0.00 -1.71 0.00 0.00 66.02 65.17 3pfl s SER 366 CO 0.40 -0.16 1.64 -0.65 1.20 0.00 0.00 173.24 175.67 3pfl h PRO 367 N 5.38 0.30 -5.95 5.44 0.11 -1.89 -3.44 132.00 131.95 3pfl h PRO 367 Ca -0.27 -0.16 -0.55 0.00 0.11 0.00 0.00 66.00 65.13 3pfl h PRO 367 Cb 1.18 0.01 -0.25 0.00 0.11 0.00 0.00 31.00 32.05 3pfl h PRO 367 CO 0.25 0.71 -0.83 -1.21 -0.21 0.00 0.00 178.00 176.71 3pfl s GLU 368 N -4.04 1.26 0.86 1.05 0.41 -1.26 -3.91 118.70 113.07 3pfl s GLU 368 Ca -0.05 -0.94 -0.11 0.00 -0.41 0.00 0.00 54.97 53.46 3pfl s GLU 368 Cb 0.13 -1.38 0.11 0.00 -1.78 0.00 0.00 34.13 31.21 3pfl s GLU 368 CO 0.79 0.34 1.10 -2.14 -0.49 0.00 0.00 175.26 174.86 3pfl s PRO 369 N -1.29 1.51 -1.15 0.39 0.02 -1.26 -4.46 135.00 128.75 3pfl s PRO 369 Ca 0.06 1.08 -0.17 0.00 0.02 0.00 0.00 61.00 61.99 3pfl s PRO 369 Cb -0.09 -1.82 0.12 0.00 0.02 0.00 0.00 34.50 32.73 3pfl s PRO 369 CO 0.02 -2.14 1.46 1.21 -0.33 0.00 0.00 177.00 177.21 3pfl s ASN 370 N -3.24 6.83 -0.13 2.53 2.47 -0.37 -4.95 114.94 118.09 3pfl s ASN 370 Ca 0.63 -2.43 -0.29 0.00 0.42 0.00 0.00 52.86 51.19 3pfl s ASN 370 Cb -0.19 -2.47 -0.03 0.00 -1.45 0.00 0.00 41.25 37.10 3pfl s ASN 370 CO 0.57 -1.04 1.50 -0.04 -3.72 0.00 0.00 177.10 174.38 3pfl s MET 371 N 3.02 4.12 -0.19 0.43 -1.94 -1.26 -2.23 119.30 121.25 3pfl s MET 371 Ca 0.44 1.88 -0.00 0.00 -1.71 0.00 0.00 55.69 56.30 3pfl s MET 371 Cb -0.01 -3.92 0.01 0.00 2.01 0.00 0.00 34.83 32.92 3pfl s MET 371 CO -0.01 -0.89 -0.15 0.99 -0.01 0.00 0.00 175.02 174.94 3pfl s THR 372 N 4.09 2.45 -0.26 2.05 2.01 0.27 -2.80 115.64 123.45 3pfl s THR 372 Ca 0.66 -0.81 -0.23 0.00 0.31 0.00 0.00 61.69 61.62 3pfl s THR 372 Cb -0.27 -2.06 -0.01 0.00 0.01 0.00 0.00 72.50 70.17 3pfl s THR 372 CO 0.24 0.51 0.77 -0.63 -0.69 0.00 0.00 174.62 174.82 3pfl s ILE 373 N 1.31 4.87 -0.75 1.82 -1.09 -0.32 -0.67 121.20 126.36 3pfl s ILE 373 Ca 0.04 1.37 -0.27 0.00 -2.23 0.00 0.00 60.65 59.56 3pfl s ILE 373 Cb -0.13 -4.07 0.03 0.00 -1.58 0.00 0.00 42.46 36.70 3pfl s ILE 373 CO -0.09 -0.09 1.28 -0.76 -1.23 0.00 0.00 174.94 174.05 3pfl s LEU 374 N 2.78 3.22 0.29 2.97 1.43 0.16 -1.90 118.68 127.63 3pfl s LEU 374 Ca 0.32 -0.52 -0.28 0.00 -1.03 0.00 0.00 54.13 52.62 3pfl s LEU 374 Cb -0.15 -2.56 -0.09 0.00 0.03 0.00 0.00 46.19 43.42 3pfl s LEU 374 CO 0.09 -1.81 0.96 0.86 0.23 0.00 0.00 176.35 176.68 3pfl s TRP 375 N 5.64 3.80 -0.16 0.29 -0.11 0.43 -2.21 118.94 126.62 3pfl s TRP 375 Ca 0.35 1.83 -0.15 0.00 1.22 0.00 0.00 56.10 59.36 3pfl s TRP 375 Cb -0.08 -2.98 0.04 0.00 -1.50 0.00 0.00 33.47 28.95 3pfl s TRP 375 CO 0.13 0.24 0.43 0.45 -4.62 0.00 0.00 176.95 173.59 3pfl s SER 376 N -1.37 -0.46 0.56 5.86 0.15 -1.26 -0.01 113.70 117.17 3pfl s SER 376 Ca 0.46 0.88 0.24 0.00 0.70 0.00 0.00 55.95 58.23 3pfl s SER 376 Cb -0.23 0.88 1.58 0.00 -1.71 0.00 0.00 66.02 66.54 3pfl s SER 376 CO 0.29 -0.15 2.19 -0.33 1.20 0.00 0.00 173.24 176.44 3pfl h GLU 377 N 5.60 0.00 -0.05 5.44 5.08 -1.95 -1.25 114.58 127.45 3pfl h GLU 377 Ca -0.28 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.08 3pfl h GLU 377 Cb 1.18 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.43 3pfl h GLU 377 CO 0.24 0.00 0.00 1.63 -1.00 0.00 0.00 179.01 179.88 3pfl n LYS 378 N -4.13 1.22 -1.89 2.33 5.02 -1.26 -4.92 118.16 114.54 3pfl n LYS 378 Ca -0.02 -0.33 -0.36 0.00 -2.02 0.00 0.00 58.31 55.57 3pfl n LYS 378 Cb 0.13 -1.34 0.05 0.00 -0.02 0.00 0.00 35.03 33.85 3pfl n LYS 378 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 3pfl s LEU 379 N -1.62 3.63 0.11 -0.35 1.43 -0.48 -4.88 118.68 116.53 3pfl s LEU 379 Ca 0.31 2.51 -0.31 0.00 -1.03 0.00 0.00 54.13 55.61 3pfl s LEU 379 Cb 0.15 -4.60 -0.10 0.00 0.03 0.00 0.00 46.19 41.67 3pfl s LEU 379 CO 0.24 -1.78 1.78 -2.84 0.23 0.00 0.00 176.35 173.98 3pfl s PRO 380 N -3.33 4.15 0.40 1.29 0.02 -1.26 -4.82 135.00 131.45 3pfl s PRO 380 Ca 0.80 2.53 0.20 0.00 0.02 0.00 0.00 61.00 64.54 3pfl s PRO 380 Cb -0.34 -3.56 1.13 0.00 0.02 0.00 0.00 34.50 31.75 3pfl s PRO 380 CO 0.36 -0.81 1.76 1.25 -0.33 0.00 0.00 177.00 179.24 3pfl h LEU 381 N 8.49 0.42 -1.10 -5.54 5.85 -1.90 0.42 115.31 121.94 3pfl h LEU 381 Ca -0.45 0.08 0.13 0.00 0.84 0.00 0.00 57.88 58.48 3pfl h LEU 381 Cb 1.21 0.02 -0.08 0.00 0.37 0.00 0.00 40.66 42.18 3pfl h LEU 381 CO 0.94 0.07 0.61 0.78 -0.34 0.00 0.00 178.44 180.50 3pfl h ASN 382 N 0.36 0.84 0.03 1.25 2.35 -1.84 -0.62 115.58 117.96 3pfl h ASN 382 Ca 0.60 0.05 -0.23 0.00 -0.55 0.00 0.00 56.30 56.17 3pfl h ASN 382 Cb 1.58 -0.12 0.02 0.00 0.05 0.00 0.00 38.32 39.85 3pfl h ASN 382 CO -0.29 0.44 -0.93 0.15 -1.65 0.00 0.00 177.43 175.14 3pfl h PHE 383 N 0.89 0.87 -0.20 1.19 3.57 -0.40 -2.69 116.94 120.17 3pfl h PHE 383 Ca 0.48 -0.50 0.04 0.00 3.53 0.00 0.00 57.97 61.52 3pfl h PHE 383 Cb 0.56 -0.09 -0.04 0.00 2.79 0.00 0.00 35.95 39.17 3pfl h PHE 383 CO -0.00 1.33 -0.07 0.87 -2.23 0.00 0.00 178.31 178.21 3pfl h LYS 384 N 0.16 -0.03 -0.43 1.11 1.57 -0.74 -1.11 116.57 117.10 3pfl h LYS 384 Ca -0.13 0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 58.65 3pfl h LYS 384 Cb 1.62 0.01 -0.02 0.00 0.08 0.00 0.00 32.23 33.91 3pfl h LYS 384 CO 0.18 -0.02 0.26 0.87 -0.57 0.00 0.00 179.45 180.17 3pfl h LYS 385 N -0.03 0.59 -0.53 3.15 1.57 -1.22 -2.27 116.57 117.83 3pfl h LYS 385 Ca 0.10 -0.06 -0.04 0.00 -1.87 0.00 0.00 60.65 58.78 3pfl h LYS 385 Cb 0.19 -0.12 -0.02 0.00 0.08 0.00 0.00 32.23 32.35 3pfl h LYS 385 CO -0.23 0.44 0.15 0.35 -0.57 0.00 0.00 179.45 179.60 3pfl h PHE 386 N 0.57 0.81 0.03 -1.35 3.57 -1.11 0.29 116.94 119.75 3pfl h PHE 386 Ca 0.15 -0.06 -0.00 0.00 3.53 0.00 0.00 57.97 61.59 3pfl h PHE 386 Cb 0.01 -0.24 0.00 0.00 2.79 0.00 0.00 35.95 38.51 3pfl h PHE 386 CO -0.03 0.67 -0.01 0.00 -2.23 0.00 0.00 178.31 176.71 3pfl h ALA 387 N 1.39 -0.04 -0.84 2.41 0.00 -1.05 -0.93 119.26 120.20 3pfl h ALA 387 Ca 0.17 -0.11 0.12 0.00 0.00 0.00 0.00 54.91 55.09 3pfl h ALA 387 Cb 0.25 0.02 -0.08 0.00 0.00 0.00 0.00 17.79 17.98 3pfl h ALA 387 CO -0.01 -0.41 0.47 0.00 0.00 0.00 0.00 179.25 179.30 3pfl h ALA 388 N 0.71 1.24 -0.44 0.00 0.00 -1.11 0.14 119.26 119.79 3pfl h ALA 388 Ca -0.00 0.05 0.01 0.00 0.00 0.00 0.00 54.91 54.97 3pfl h ALA 388 Cb 0.24 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 17.92 3pfl h ALA 388 CO 0.01 0.03 0.27 -0.22 0.00 0.00 0.00 179.25 179.34 3pfl h LYS 389 N 0.73 0.54 -0.56 0.00 3.11 -0.50 0.11 116.57 120.00 3pfl h LYS 389 Ca 0.43 -0.03 -0.07 0.00 -2.81 0.00 0.00 60.65 58.17 3pfl h LYS 389 Cb 0.49 -0.12 -0.02 0.00 -1.00 0.00 0.00 32.23 31.58 3pfl h LYS 389 CO -0.30 0.36 0.06 0.28 -2.81 0.00 0.00 179.45 177.04 3pfl h VAL 390 N 0.56 1.25 -0.43 2.00 2.07 0.27 0.06 116.25 122.03 3pfl h VAL 390 Ca 0.17 -0.99 -0.02 0.00 0.82 0.00 0.00 66.70 66.69 3pfl h VAL 390 Cb -0.03 0.75 -0.02 0.00 -1.52 0.00 0.00 31.29 30.47 3pfl h VAL 390 CO -0.06 0.36 0.20 0.28 0.02 0.00 0.00 177.57 178.37 3pfl h SER 391 N 0.86 0.56 -0.84 0.57 0.02 -0.06 0.30 113.55 114.96 3pfl h SER 391 Ca 0.17 -0.13 -0.04 0.00 -0.84 0.00 0.00 61.79 60.95 3pfl h SER 391 Cb 0.42 -0.14 -0.04 0.00 0.14 0.00 0.00 62.40 62.78 3pfl h SER 391 CO 0.01 0.54 0.38 0.40 -1.14 0.00 0.00 176.83 177.02 3pfl h ILE 392 N 0.55 1.26 0.00 3.27 2.04 -0.42 0.27 117.51 124.48 3pfl h ILE 392 Ca 0.15 -0.77 -0.19 0.00 1.00 0.00 0.00 64.86 65.05 3pfl h ILE 392 Cb 0.13 0.21 -0.03 0.00 -0.74 0.00 0.00 36.82 36.39 3pfl h ILE 392 CO -0.02 0.32 -0.91 0.44 0.00 0.00 0.00 178.15 177.99 3pfl h ASP 393 N 1.20 0.00 0.00 1.72 3.32 -0.65 -3.42 116.42 118.58 3pfl h ASP 393 Ca 0.28 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.33 3pfl h ASP 393 Cb 0.15 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.70 3pfl h ASP 393 CO -0.03 0.89 -0.69 0.35 -1.72 0.00 0.00 179.24 178.04 3pfl n THR 394 N -3.31 0.00 -3.07 0.35 -2.24 0.10 -5.02 114.28 101.09 3pfl n THR 394 Ca 0.00 0.00 -0.22 0.00 -2.27 0.00 0.00 64.05 61.56 3pfl n THR 394 Cb 0.90 -0.28 0.04 0.00 -2.10 0.00 0.00 70.33 68.89 3pfl n THR 394 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 3pfl n SER 395 N -1.34 -6.11 -0.48 3.42 7.64 0.95 -4.58 113.62 113.11 3pfl n SER 395 Ca 0.00 -0.31 0.06 0.00 1.01 0.00 0.00 58.87 59.62 3pfl n SER 395 Cb 0.21 -4.90 0.07 0.00 -1.01 0.00 0.00 64.21 58.58 3pfl n SER 395 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 3pfl n SER 396 N -2.49 2.13 -4.68 6.43 7.64 -1.26 -3.76 113.62 117.63 3pfl n SER 396 Ca -0.10 -1.57 -0.24 0.00 1.01 0.00 0.00 58.87 57.97 3pfl n SER 396 Cb 0.61 -0.05 -0.07 0.00 -1.01 0.00 0.00 64.21 63.70 3pfl n SER 396 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 3pfl s LEU 397 N -0.94 3.34 0.13 -3.43 1.43 -1.26 -4.53 118.68 113.41 3pfl s LEU 397 Ca 0.15 -0.51 0.04 0.00 -1.03 0.00 0.00 54.13 52.79 3pfl s LEU 397 Cb 0.10 -1.90 -0.04 0.00 0.03 0.00 0.00 46.19 44.38 3pfl s LEU 397 CO 0.14 0.02 -0.10 0.00 0.23 0.00 0.00 176.35 176.64 3pfl s GLN 398 N -3.50 0.98 -0.03 1.70 -2.07 -1.12 -3.30 119.66 112.31 3pfl s GLN 398 Ca 0.31 -1.34 0.03 0.00 -1.82 0.00 0.00 55.36 52.54 3pfl s GLN 398 Cb -0.07 -0.60 -0.00 0.00 -1.09 0.00 0.00 33.01 31.24 3pfl s GLN 398 CO 0.20 0.08 -0.13 0.71 -1.32 0.00 0.00 175.29 174.84 3pfl s TYR 399 N -2.97 1.30 0.04 9.60 1.51 -0.03 -1.17 117.35 125.65 3pfl s TYR 399 Ca 0.12 -0.35 0.07 0.00 -1.01 0.00 0.00 57.07 55.90 3pfl s TYR 399 Cb 0.00 -0.90 -0.02 0.00 -0.11 0.00 0.00 41.96 40.93 3pfl s TYR 399 CO 0.00 -0.12 -0.19 -1.21 -1.11 0.00 0.00 175.55 172.92 3pfl s GLU 400 N 0.10 1.29 -0.81 -0.62 0.41 -0.80 -0.27 118.70 117.99 3pfl s GLU 400 Ca -0.03 -0.90 -0.25 0.00 -0.41 0.00 0.00 54.97 53.38 3pfl s GLU 400 Cb -0.10 -1.38 -0.01 0.00 -1.78 0.00 0.00 34.13 30.86 3pfl s GLU 400 CO 0.01 0.35 1.72 1.21 -0.49 0.00 0.00 175.26 178.07 3pfl s ASN 401 N -1.17 5.59 0.41 -0.19 2.47 0.01 -0.43 114.94 121.63 3pfl s ASN 401 Ca 0.06 -0.48 0.17 0.00 0.42 0.00 0.00 52.86 53.03 3pfl s ASN 401 Cb -0.09 -2.55 0.87 0.00 -1.45 0.00 0.00 41.25 38.03 3pfl s ASN 401 CO 0.02 -2.26 1.87 -0.78 -3.72 0.00 0.00 177.10 172.22 3pfl h ASP 402 N 11.93 0.00 0.73 -4.21 3.58 -0.72 -1.97 116.42 125.76 3pfl h ASP 402 Ca -0.05 0.00 -0.02 0.00 0.42 0.00 0.00 57.03 57.38 3pfl h ASP 402 Cb 1.06 0.00 -0.00 0.00 1.72 0.00 0.00 39.33 42.11 3pfl h ASP 402 CO 1.26 0.31 -0.07 0.44 -2.88 0.00 0.00 179.24 178.30 3pfl h ASP 403 N 0.00 0.00 0.00 2.28 3.32 -1.87 -1.89 116.42 118.26 3pfl h ASP 403 Ca -0.00 0.00 -0.14 0.00 0.02 0.00 0.00 57.03 56.91 3pfl h ASP 403 Cb 0.62 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 40.15 3pfl h ASP 403 CO 0.04 0.07 -1.04 -0.11 -1.72 0.00 0.00 179.24 176.49 3pfl n LEU 404 N -3.27 1.85 -0.07 1.55 7.94 -0.80 -4.39 117.00 119.81 3pfl n LEU 404 Ca -0.00 0.50 -0.13 0.00 -1.11 0.00 0.00 56.01 55.27 3pfl n LEU 404 Cb 0.29 -0.90 -0.06 0.00 0.53 0.00 0.00 43.42 43.28 3pfl n LEU 404 CO 0.28 -0.04 0.61 0.24 -1.11 0.00 0.00 177.39 177.36 3pfl h MET 405 N -1.00 0.50 -0.45 1.96 2.86 -1.46 -2.53 114.93 114.81 3pfl h MET 405 Ca -0.21 -0.25 0.09 0.00 -2.06 0.00 0.00 59.70 57.27 3pfl h MET 405 Cb 0.98 0.00 -0.09 0.00 0.06 0.00 0.00 31.60 32.56 3pfl h MET 405 CO -0.13 0.82 -0.17 -0.09 1.06 0.00 0.00 176.91 178.41 3pfl h ARG 406 N 0.18 -0.07 -0.55 1.72 2.43 -1.59 0.24 114.38 116.75 3pfl h ARG 406 Ca 0.04 0.00 -0.11 0.00 -0.81 0.00 0.00 59.98 59.11 3pfl h ARG 406 Cb 0.72 0.01 -0.02 0.00 -0.42 0.00 0.00 29.97 30.26 3pfl h ARG 406 CO 0.05 -0.04 -0.07 -1.35 -1.51 0.00 0.00 179.97 177.04 3pfl h PRO 407 N -0.07 1.02 -0.91 0.20 0.11 -1.75 0.79 132.00 131.40 3pfl h PRO 407 Ca 0.22 -0.35 0.03 0.00 0.11 0.00 0.00 66.00 66.00 3pfl h PRO 407 Cb 0.40 -0.08 -0.05 0.00 0.11 0.00 0.00 31.00 31.38 3pfl h PRO 407 CO -0.50 1.04 0.60 0.22 -0.21 0.00 0.00 178.00 179.15 3pfl h ASP 408 N 0.91 1.00 0.90 -2.05 3.58 -0.79 -1.99 116.42 117.98 3pfl h ASP 408 Ca 0.15 -0.02 -0.10 0.00 0.42 0.00 0.00 57.03 57.48 3pfl h ASP 408 Cb 0.63 -0.24 -0.02 0.00 1.72 0.00 0.00 39.33 41.43 3pfl h ASP 408 CO 0.04 0.70 -1.17 -0.26 -2.88 0.00 0.00 179.24 175.67 3pfl h PHE 409 N 1.16 0.00 -6.05 0.28 0.04 -0.86 -3.48 116.94 108.04 3pfl h PHE 409 Ca 0.35 0.00 -0.41 0.00 2.80 0.00 0.00 57.97 60.71 3pfl h PHE 409 Cb -0.03 0.00 0.06 0.00 2.20 0.00 0.00 35.95 38.18 3pfl h PHE 409 CO -0.00 0.36 -0.81 -1.71 -0.60 0.00 0.00 178.31 175.56 3pfl n ASN 410 N -2.85 -2.01 -3.70 2.17 5.15 0.27 -4.97 115.26 109.32 3pfl n ASN 410 Ca -0.05 -0.78 -0.13 0.00 -0.60 0.00 0.00 54.58 53.02 3pfl n ASN 410 Cb 0.73 -4.21 -0.09 0.00 -0.53 0.00 0.00 39.78 35.68 3pfl n ASN 410 CO 0.00 0.00 0.00 0.21 1.40 0.00 0.00 177.26 178.87 3pfl s ASN 411 N -4.17 -0.54 -0.20 1.20 3.84 -1.03 -5.04 114.94 109.00 3pfl s ASN 411 Ca 0.12 1.04 0.16 0.00 0.21 0.00 0.00 52.86 54.39 3pfl s ASN 411 Cb -0.06 1.06 0.58 0.00 -0.55 0.00 0.00 41.25 42.27 3pfl s ASN 411 CO 0.80 -0.18 1.48 -0.90 -2.79 0.00 0.00 177.10 175.52 3pfl n ASP 412 N 2.81 4.07 -2.53 -4.21 5.68 -1.26 -4.55 116.55 116.56 3pfl n ASP 412 Ca -0.13 -3.07 -0.16 0.00 -0.50 0.00 0.00 54.79 50.93 3pfl n ASP 412 Cb 0.56 -0.58 0.02 0.00 -1.14 0.00 0.00 41.12 39.99 3pfl n ASP 412 CO 0.00 0.00 0.00 -0.67 -1.33 0.00 0.00 177.20 175.20 3pfl n ASP 413 N -0.40 3.08 -4.86 -1.12 2.03 -1.26 -4.92 116.55 109.11 3pfl n ASP 413 Ca 0.24 -3.09 -0.26 0.00 0.52 0.00 0.00 54.79 52.20 3pfl n ASP 413 Cb 0.97 -0.47 -0.04 0.00 -0.72 0.00 0.00 41.12 40.85 3pfl n ASP 413 CO 0.00 0.00 0.00 -0.72 -1.92 0.00 0.00 177.20 174.56 3pfl s TYR 414 N -3.45 3.27 0.37 -0.67 -0.85 -1.26 -2.41 117.35 112.36 3pfl s TYR 414 Ca 0.38 0.02 0.04 0.00 -0.52 0.00 0.00 57.07 56.98 3pfl s TYR 414 Cb 0.41 -1.56 -0.04 0.00 0.38 0.00 0.00 41.96 41.15 3pfl s TYR 414 CO -0.05 0.51 0.09 0.00 -1.52 0.00 0.00 175.55 174.58 3pfl s ALA 415 N -1.79 2.71 -0.21 9.51 0.00 0.13 -4.86 121.76 127.25 3pfl s ALA 415 Ca 0.32 -1.59 -0.04 0.00 0.00 0.00 0.00 51.96 50.65 3pfl s ALA 415 Cb -0.10 0.67 -0.02 0.00 0.00 0.00 0.00 23.12 23.67 3pfl s ALA 415 CO 0.25 -0.31 -0.02 0.42 0.00 0.00 0.00 175.76 176.10 3pfl s ILE 416 N -3.24 3.61 -0.13 0.00 -1.09 -1.26 -1.25 121.20 117.84 3pfl s ILE 416 Ca 0.29 -0.42 -0.13 0.00 -2.23 0.00 0.00 60.65 58.16 3pfl s ILE 416 Cb 0.06 -2.64 -0.05 0.00 -1.58 0.00 0.00 42.46 38.25 3pfl s ILE 416 CO 0.14 0.42 0.29 0.00 -1.23 0.00 0.00 174.94 174.56 3pfl s ALA 417 N 1.30 3.65 0.00 9.38 0.00 0.10 -4.77 121.76 131.42 3pfl s ALA 417 Ca 0.04 -0.44 0.00 0.00 0.00 0.00 0.00 51.96 51.56 3pfl s ALA 417 Cb -0.14 -2.33 0.00 0.00 0.00 0.00 0.00 23.12 20.64 3pfl s ALA 417 CO -0.01 0.23 0.00 0.00 0.00 0.00 0.00 175.76 175.98 3pfl n VAL 420 N -3.99 0.00 -3.01 0.00 0.24 -1.24 -4.95 118.33 105.38 3pfl n VAL 420 Ca -0.24 0.00 -0.43 0.00 -2.04 0.00 0.00 64.34 61.63 3pfl n VAL 420 Cb 0.56 0.66 -0.05 0.00 -1.47 0.00 0.00 33.84 33.54 3pfl n VAL 420 CO 0.00 0.00 0.00 -0.44 -2.14 0.00 0.00 176.83 174.25 3pfl s SER 421 N -0.40 6.27 0.42 -1.34 0.01 -1.10 -3.87 113.70 113.68 3pfl s SER 421 Ca 0.00 -0.71 -0.22 0.00 1.31 0.00 0.00 55.95 56.33 3pfl s SER 421 Cb 0.00 -2.36 -0.10 0.00 0.21 0.00 0.00 66.02 63.77 3pfl s SER 421 CO 0.00 -1.07 0.98 -2.16 0.41 0.00 0.00 173.24 171.40 3pfl s PRO 422 N 3.25 4.21 -0.24 12.44 0.04 -1.26 0.01 135.00 153.44 3pfl s PRO 422 Ca 0.22 1.25 -0.26 0.00 0.04 0.00 0.00 61.00 62.24 3pfl s PRO 422 Cb -0.17 -2.32 0.08 0.00 0.04 0.00 0.00 34.50 32.13 3pfl s PRO 422 CO 0.15 -0.06 0.76 0.00 0.04 0.00 0.00 177.00 177.88 3pfl s MET 423 N -2.90 0.82 -0.19 4.56 0.23 -0.38 -4.93 119.30 116.50 3pfl s MET 423 Ca 0.60 0.85 -0.29 0.00 -1.03 0.00 0.00 55.69 55.82 3pfl s MET 423 Cb -0.14 0.40 -0.01 0.00 -1.53 0.00 0.00 34.83 33.55 3pfl s MET 423 CO 0.18 -0.12 1.30 0.42 -2.03 0.00 0.00 175.02 174.76 3pfl s ILE 424 N 0.15 4.21 0.17 3.16 1.01 -1.26 0.17 121.20 128.80 3pfl s ILE 424 Ca -0.01 1.44 -0.34 0.00 0.00 0.00 0.00 60.65 61.74 3pfl s ILE 424 Cb -0.04 -4.01 -0.14 0.00 0.01 0.00 0.00 42.46 38.28 3pfl s ILE 424 CO 0.01 -0.22 1.53 1.33 0.00 0.00 0.00 174.94 177.60 3pfl n VAL 425 N 5.60 0.13 -0.46 2.92 0.24 -1.01 -1.70 118.33 124.05 3pfl n VAL 425 Ca 0.14 -0.03 0.00 0.00 -2.04 0.00 0.00 64.34 62.41 3pfl n VAL 425 Cb 0.45 -1.47 0.00 0.00 -1.47 0.00 0.00 33.84 31.36 3pfl n VAL 425 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3pfl n GLY 426 N 3.16 1.66 0.00 7.63 0.00 -1.26 -4.77 105.19 111.61 3pfl n GLY 426 Ca 0.16 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.18 3pfl n GLY 426 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3pfl n LYS 427 N -2.00 1.73 -3.66 1.61 5.02 -0.69 -0.53 118.16 119.64 3pfl n LYS 427 Ca 0.00 -0.22 -0.15 0.00 -2.02 0.00 0.00 58.31 55.92 3pfl n LYS 427 Cb 0.00 -0.67 -0.08 0.00 -0.02 0.00 0.00 35.03 34.27 3pfl n LYS 427 CO 0.00 0.00 0.00 -1.14 -0.52 0.00 0.00 177.40 175.74 3pfl s GLN 428 N -0.31 0.82 0.26 1.97 0.74 -0.92 -1.63 119.66 120.58 3pfl s GLN 428 Ca 0.00 0.04 0.01 0.00 0.05 0.00 0.00 55.36 55.46 3pfl s GLN 428 Cb 0.00 0.38 -0.00 0.00 1.10 0.00 0.00 33.01 34.48 3pfl s GLN 428 CO 0.00 -0.23 0.31 0.00 -0.55 0.00 0.00 175.29 174.82 3pfl n MET 429 N 1.22 0.45 -4.09 1.67 0.00 0.35 -4.67 117.12 112.06 3pfl n MET 429 Ca -0.20 -2.25 -0.13 0.00 0.00 0.00 0.00 57.70 55.11 3pfl n MET 429 Cb 0.56 2.04 -0.11 0.00 0.00 0.00 0.00 33.22 35.71 3pfl n MET 429 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 175.97 175.32 3pfl s GLN 430 N -2.75 0.60 -0.74 3.17 -0.21 -1.10 -2.91 119.66 115.71 3pfl s GLN 430 Ca 0.25 -0.84 -0.16 0.00 0.02 0.00 0.00 55.36 54.63 3pfl s GLN 430 Cb 0.00 -0.35 0.17 0.00 1.00 0.00 0.00 33.01 33.83 3pfl s GLN 430 CO 0.18 0.06 0.73 -0.06 -2.12 0.00 0.00 175.29 174.07 3pfl s PHE 431 N -1.59 3.48 0.30 0.91 0.08 0.11 -4.73 117.98 116.55 3pfl s PHE 431 Ca -0.07 -1.64 -0.30 0.00 0.12 0.00 0.00 56.93 55.05 3pfl s PHE 431 Cb -0.09 -3.88 -0.12 0.00 -0.57 0.00 0.00 43.02 38.36 3pfl s PHE 431 CO 0.00 -1.08 1.45 0.34 -0.10 0.00 0.00 175.22 175.83 3pfl n PHE 432 N 4.81 2.53 -4.32 0.36 7.35 -1.26 -2.54 117.46 124.40 3pfl n PHE 432 Ca 0.05 0.41 -0.20 0.00 -0.76 0.00 0.00 57.45 56.95 3pfl n PHE 432 Cb 0.45 -2.50 -0.16 0.00 0.35 0.00 0.00 39.48 37.62 3pfl n PHE 432 CO 0.00 0.00 0.00 0.20 -0.76 0.00 0.00 176.76 176.20 3pfl s GLY 433 N 0.13 0.48 0.00 7.13 0.00 -0.69 -4.77 107.32 109.61 3pfl s GLY 433 Ca 0.61 -0.26 0.00 0.00 0.00 0.00 0.00 44.72 45.07 3pfl s GLY 433 CO 0.55 0.01 0.00 0.00 0.00 0.00 0.00 173.10 173.66 3pfl n ALA 434 N 3.41 0.00 -3.06 3.20 0.00 -1.26 -4.21 120.51 118.58 3pfl n ALA 434 Ca -0.19 0.00 -0.11 0.00 0.00 0.00 0.00 53.44 53.13 3pfl n ALA 434 Cb 0.54 0.00 -0.09 0.00 0.00 0.00 0.00 19.45 19.90 3pfl n ALA 434 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 177.50 176.52 3pfl s ARG 435 N 0.00 0.60 0.23 0.00 3.03 -1.26 -2.21 118.95 119.34 3pfl s ARG 435 Ca 0.00 -0.42 -0.00 0.00 2.03 0.00 0.00 55.73 57.34 3pfl s ARG 435 Cb 0.00 0.25 -0.04 0.00 -1.03 0.00 0.00 34.95 34.13 3pfl s ARG 435 CO 0.00 -0.16 0.42 0.00 -1.13 0.00 0.00 175.30 174.43 3pfl s ALA 436 N -1.74 3.80 -0.89 7.88 0.00 0.33 -4.50 121.76 126.64 3pfl s ALA 436 Ca -0.12 -0.85 -0.19 0.00 0.00 0.00 0.00 51.96 50.80 3pfl s ALA 436 Cb -0.05 -2.01 0.12 0.00 0.00 0.00 0.00 23.12 21.18 3pfl s ALA 436 CO 0.01 0.34 1.09 1.21 0.00 0.00 0.00 175.76 178.41 3pfl s ASN 437 N -3.35 6.56 0.30 0.00 3.84 -0.06 -0.47 114.94 121.77 3pfl s ASN 437 Ca 0.39 -1.90 -0.00 0.00 0.21 0.00 0.00 52.86 51.55 3pfl s ASN 437 Cb -0.11 -2.40 0.46 0.00 -0.55 0.00 0.00 41.25 38.66 3pfl s ASN 437 CO 0.30 -1.11 1.88 0.25 -2.79 0.00 0.00 177.10 175.63 3pfl h LEU 438 N 10.52 0.78 0.56 3.21 6.46 -1.85 -2.48 115.31 132.50 3pfl h LEU 438 Ca 0.09 -0.10 -0.03 0.00 -0.12 0.00 0.00 57.88 57.73 3pfl h LEU 438 Cb 1.03 -0.20 0.01 0.00 -0.73 0.00 0.00 40.66 40.77 3pfl h LEU 438 CO 1.12 0.70 -0.27 0.00 -0.62 0.00 0.00 178.44 179.37 3pfl h ALA 439 N 1.42 -0.75 -0.05 1.25 0.00 -1.76 -1.93 119.26 117.45 3pfl h ALA 439 Ca 0.20 -0.17 0.01 0.00 0.00 0.00 0.00 54.91 54.95 3pfl h ALA 439 Cb 0.16 0.29 -0.00 0.00 0.00 0.00 0.00 17.79 18.23 3pfl h ALA 439 CO -0.02 -0.90 0.07 -0.22 0.00 0.00 0.00 179.25 178.18 3pfl h LYS 440 N -0.79 0.00 -0.02 0.00 3.64 -1.91 0.24 116.57 117.73 3pfl h LYS 440 Ca -0.08 0.00 -0.10 0.00 -1.27 0.00 0.00 60.65 59.21 3pfl h LYS 440 Cb 0.59 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.40 3pfl h LYS 440 CO 0.13 0.00 -0.45 1.15 -2.27 0.00 0.00 179.45 178.01 3pfl h THR 441 N 0.00 1.33 -0.13 1.00 2.02 -0.88 -1.81 112.91 114.44 3pfl h THR 441 Ca 0.02 -1.56 -0.22 0.00 0.77 0.00 0.00 66.41 65.42 3pfl h THR 441 Cb 0.17 1.81 0.01 0.00 -1.74 0.00 0.00 68.15 68.40 3pfl h THR 441 CO -0.00 0.45 -0.77 -0.03 0.37 0.00 0.00 175.52 175.54 3pfl h MET 442 N 0.04 0.75 -0.92 6.66 1.85 -0.23 -2.60 114.93 120.49 3pfl h MET 442 Ca -0.00 -0.63 -0.00 0.00 -0.61 0.00 0.00 59.70 58.45 3pfl h MET 442 Cb 0.81 0.14 -0.04 0.00 0.43 0.00 0.00 31.60 32.94 3pfl h MET 442 CO 0.06 1.24 0.56 -0.07 -0.40 0.00 0.00 176.91 178.30 3pfl h LEU 443 N 0.46 1.10 -1.30 3.39 3.38 -1.26 -1.46 115.31 119.61 3pfl h LEU 443 Ca -0.06 -0.06 -0.03 0.00 0.09 0.00 0.00 57.88 57.82 3pfl h LEU 443 Cb 1.41 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 41.86 3pfl h LEU 443 CO 0.16 0.84 0.17 1.88 0.09 0.00 0.00 178.44 181.57 3pfl h TYR 444 N 1.26 0.64 -0.61 1.13 -1.99 -1.29 0.23 116.97 116.35 3pfl h TYR 444 Ca 0.33 -0.03 -0.06 0.00 2.00 0.00 0.00 58.73 60.97 3pfl h TYR 444 Cb -0.06 -0.20 -0.03 0.00 2.00 0.00 0.00 36.73 38.44 3pfl h TYR 444 CO 0.00 0.51 0.15 0.00 -0.00 0.00 0.00 178.16 178.82 3pfl h ALA 445 N 1.55 1.12 0.00 3.88 0.00 -0.88 0.20 119.26 125.12 3pfl h ALA 445 Ca 0.15 -0.22 -0.06 0.00 0.00 0.00 0.00 54.91 54.79 3pfl h ALA 445 Cb 0.15 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.69 3pfl h ALA 445 CO -0.01 0.59 -0.39 0.82 0.00 0.00 0.00 179.25 180.26 3pfl h ILE 446 N 0.90 0.42 -0.29 0.00 2.04 -0.70 -3.33 117.51 116.56 3pfl h ILE 446 Ca 0.19 -1.61 -0.06 0.00 1.00 0.00 0.00 64.86 64.39 3pfl h ILE 446 Cb 0.32 2.15 -0.03 0.00 -0.74 0.00 0.00 36.82 38.52 3pfl h ILE 446 CO -0.00 0.24 -0.01 0.59 0.00 0.00 0.00 178.15 178.97 3pfl n ASN 447 N -3.11 3.45 -3.80 1.72 3.02 0.71 -3.03 115.26 114.21 3pfl n ASN 447 Ca 0.02 -3.23 -0.27 0.00 -0.03 0.00 0.00 54.58 51.07 3pfl n ASN 447 Cb 0.64 -0.57 0.04 0.00 -0.61 0.00 0.00 39.78 39.29 3pfl n ASN 447 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3pfl n GLY 448 N -0.73 -0.49 3.20 7.41 0.00 -0.41 -2.39 105.19 111.78 3pfl n GLY 448 Ca 0.25 0.20 0.00 0.00 0.00 0.00 0.00 46.02 46.47 3pfl n GLY 448 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3pfl n GLY 449 N -1.75 2.98 3.72 -0.02 0.00 0.56 -2.98 105.19 107.69 3pfl n GLY 449 Ca -0.01 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.59 3pfl n GLY 449 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3pfl s VAL 450 N -2.53 4.72 -0.16 1.61 1.01 -1.01 -0.68 120.40 123.36 3pfl s VAL 450 Ca 0.00 2.03 -0.29 0.00 0.00 0.00 0.00 61.98 63.72 3pfl s VAL 450 Cb 0.00 -4.30 -0.03 0.00 0.00 0.00 0.00 36.38 32.05 3pfl s VAL 450 CO 0.00 0.20 1.58 -0.62 0.00 0.00 0.00 175.10 176.26 3pfl s ASP 451 N 0.74 6.54 0.00 3.32 2.15 0.13 -4.78 116.67 124.76 3pfl s ASP 451 Ca 0.51 1.82 0.00 0.00 0.43 0.00 0.00 52.55 55.31 3pfl s ASP 451 Cb -0.22 -2.53 0.00 0.00 -0.30 0.00 0.00 42.92 39.87 3pfl s ASP 451 CO 0.29 -1.09 0.06 -1.84 -0.17 0.00 0.00 175.17 172.41 3pfl n GLU 452 N 7.36 0.09 0.00 4.34 0.00 -1.26 0.39 120.64 131.56 3pfl n GLU 452 Ca 0.18 0.00 0.00 0.00 0.00 0.00 0.00 57.16 57.34 3pfl n GLU 452 Cb 0.44 -1.03 0.00 0.00 0.00 0.00 0.00 31.44 30.85 3pfl n GLU 452 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.13 178.30 3pfl n LYS 453 N 0.15 0.06 0.00 3.44 4.81 -1.26 -4.82 118.16 120.54 3pfl n LYS 453 Ca 0.00 0.00 0.09 0.00 -0.87 0.00 0.00 58.31 57.53 3pfl n LYS 453 Cb 0.02 -0.54 -0.04 0.00 0.02 0.00 0.00 35.03 34.49 3pfl n LYS 453 CO 0.00 0.00 0.00 1.28 1.17 0.00 0.00 177.40 179.85 3pfl n LEU 454 N -1.38 1.48 -3.13 3.14 7.99 -1.06 -4.98 117.00 119.06 3pfl n LEU 454 Ca 0.00 -0.66 -0.21 0.00 -0.01 0.00 0.00 56.01 55.13 3pfl n LEU 454 Cb 0.04 0.00 0.01 0.00 -0.11 0.00 0.00 43.42 43.35 3pfl n LEU 454 CO 0.00 0.30 -0.05 0.29 -1.51 0.00 0.00 177.39 176.42 3pfl n LYS 455 N -0.60 -3.62 -4.39 3.23 5.02 0.16 -4.95 118.16 113.01 3pfl n LYS 455 Ca 0.06 0.61 -0.25 0.00 -2.02 0.00 0.00 58.31 56.72 3pfl n LYS 455 Cb 0.37 -5.35 -0.09 0.00 -0.02 0.00 0.00 35.03 29.93 3pfl n LYS 455 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3pfl s MET 456 N -5.78 1.87 -0.61 1.97 0.23 -1.26 -4.82 119.30 110.91 3pfl s MET 456 Ca 0.31 -1.55 -0.28 0.00 -1.03 0.00 0.00 55.69 53.15 3pfl s MET 456 Cb -0.16 -1.95 0.02 0.00 -1.53 0.00 0.00 34.83 31.21 3pfl s MET 456 CO 0.39 0.37 1.31 -1.14 -2.03 0.00 0.00 175.02 173.92 3pfl s GLN 457 N -3.28 3.34 -0.14 3.16 2.00 -1.26 -0.70 119.66 122.79 3pfl s GLN 457 Ca 0.28 0.23 -0.15 0.00 -2.00 0.00 0.00 55.36 53.71 3pfl s GLN 457 Cb -0.07 -4.10 -0.05 0.00 0.80 0.00 0.00 33.01 29.59 3pfl s GLN 457 CO 0.15 -1.90 -0.30 0.28 -0.50 0.00 0.00 175.29 173.02 3pfl n VAL 458 N 6.69 1.42 -1.44 1.34 0.31 -0.74 -4.98 118.33 120.93 3pfl n VAL 458 Ca 0.09 0.18 -0.29 0.00 -0.01 0.00 0.00 64.34 64.31 3pfl n VAL 458 Cb 0.49 -2.23 0.23 0.00 -0.91 0.00 0.00 33.84 31.41 3pfl n VAL 458 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3pfl n GLY 459 N 1.71 -2.19 3.70 2.92 0.00 0.14 -4.93 105.19 106.54 3pfl n GLY 459 Ca -0.12 -1.59 -0.42 0.00 0.00 0.00 0.00 46.02 43.89 3pfl n GLY 459 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3pfl s PRO 460 N -5.62 4.24 -0.01 1.61 0.04 -1.26 -4.77 135.00 129.23 3pfl s PRO 460 Ca 0.71 2.19 -0.35 0.00 0.04 0.00 0.00 61.00 63.60 3pfl s PRO 460 Cb -0.05 -3.50 -0.13 0.00 0.04 0.00 0.00 34.50 30.87 3pfl s PRO 460 CO 0.53 -0.63 1.75 1.17 0.04 0.00 0.00 177.00 179.85 3pfl n LYS 461 N 5.14 2.06 -4.00 4.56 4.81 -1.26 -4.30 118.16 125.16 3pfl n LYS 461 Ca 0.14 0.75 -0.13 0.00 -0.87 0.00 0.00 58.31 58.20 3pfl n LYS 461 Cb 0.41 -2.55 -0.02 0.00 0.02 0.00 0.00 35.03 32.90 3pfl n LYS 461 CO 0.00 0.00 0.00 -1.12 1.17 0.00 0.00 177.40 177.45 3pfl s SER 462 N 2.84 0.68 -0.11 3.14 0.01 -1.16 -5.03 113.70 114.07 3pfl s SER 462 Ca 0.88 -1.40 -0.21 0.00 1.31 0.00 0.00 55.95 56.52 3pfl s SER 462 Cb -0.72 0.73 -0.04 0.00 0.21 0.00 0.00 66.02 66.20 3pfl s SER 462 CO 0.48 -1.44 0.62 -1.61 0.41 0.00 0.00 173.24 171.70 3pfl s GLU 463 N -2.75 4.36 0.49 12.44 0.41 -1.26 -4.52 118.70 127.87 3pfl s GLU 463 Ca 0.26 0.70 -0.19 0.00 -0.41 0.00 0.00 54.97 55.32 3pfl s GLU 463 Cb -0.02 -3.47 -0.08 0.00 -1.78 0.00 0.00 34.13 28.78 3pfl s GLU 463 CO 0.18 0.03 1.01 -1.25 -0.49 0.00 0.00 175.26 174.74 3pfl s PRO 464 N 0.96 3.87 0.32 0.39 0.04 -1.26 -4.52 135.00 134.80 3pfl s PRO 464 Ca 0.32 1.22 -0.27 0.00 0.04 0.00 0.00 61.00 62.31 3pfl s PRO 464 Cb -0.17 -2.11 -0.13 0.00 0.04 0.00 0.00 34.50 32.13 3pfl s PRO 464 CO 0.14 -0.35 1.03 -0.89 0.04 0.00 0.00 177.00 176.97 3pfl n ILE 465 N -1.10 2.05 0.00 0.56 -0.00 -1.17 -4.91 119.36 114.79 3pfl n ILE 465 Ca 0.08 -0.50 0.09 0.00 -0.00 0.00 0.00 62.75 62.42 3pfl n ILE 465 Cb 0.53 -1.07 -0.14 0.00 -0.00 0.00 0.00 39.64 38.96 3pfl n ILE 465 CO 0.00 0.00 0.00 0.29 -0.00 0.00 0.00 176.55 176.84 3pfl n LYS 466 N 0.62 0.55 -1.40 0.38 4.76 -1.26 -5.01 118.16 116.80 3pfl n LYS 466 Ca 0.09 -0.16 -0.42 0.00 -2.87 0.00 0.00 58.31 54.95 3pfl n LYS 466 Cb 0.34 -1.42 0.00 0.00 -1.84 0.00 0.00 35.03 32.11 3pfl n LYS 466 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 3pfl n GLY 467 N 1.49 -1.95 0.11 0.72 0.00 -1.26 -4.86 105.19 99.44 3pfl n GLY 467 Ca -0.03 0.03 0.12 0.00 0.00 0.00 0.00 46.02 46.14 3pfl n GLY 467 CO 0.00 0.00 0.00 1.29 0.00 0.00 0.00 173.32 174.61 3pfl h ASP 468 N 0.62 0.00 -3.55 1.61 3.04 -1.95 -3.44 116.42 112.75 3pfl h ASP 468 Ca -0.39 -0.07 -0.31 0.00 -3.24 0.00 0.00 57.03 53.03 3pfl h ASP 468 Cb 1.42 0.00 -0.33 0.00 -1.04 0.00 0.00 39.33 39.38 3pfl h ASP 468 CO 0.50 0.04 -0.73 -0.69 -2.04 0.00 0.00 179.24 176.31 3pfl s VAL 469 N -3.15 0.03 0.06 4.15 1.01 -1.26 -4.08 120.40 117.17 3pfl s VAL 469 Ca 0.08 0.14 -0.30 0.00 0.00 0.00 0.00 61.98 61.90 3pfl s VAL 469 Cb 0.12 -0.14 -0.05 0.00 0.00 0.00 0.00 36.38 36.31 3pfl s VAL 469 CO 0.66 0.10 1.14 -0.76 0.00 0.00 0.00 175.10 176.24 3pfl s LEU 470 N 0.91 4.38 -0.26 3.92 1.43 -0.81 -5.01 118.68 123.25 3pfl s LEU 470 Ca -0.08 1.96 -0.07 0.00 -1.03 0.00 0.00 54.13 54.91 3pfl s LEU 470 Cb -0.12 -3.58 -0.01 0.00 0.03 0.00 0.00 46.19 42.51 3pfl s LEU 470 CO -0.02 -0.40 0.06 0.21 0.23 0.00 0.00 176.35 176.43 3pfl s ASN 471 N 0.90 5.01 0.00 2.29 3.84 -1.26 -4.71 114.94 121.02 3pfl s ASN 471 Ca 0.56 -0.44 0.00 0.00 0.21 0.00 0.00 52.86 53.19 3pfl s ASN 471 Cb -0.28 -1.88 0.00 0.00 -0.55 0.00 0.00 41.25 38.54 3pfl s ASN 471 CO 0.30 -0.10 0.75 0.00 -2.79 0.00 0.00 177.10 175.26 3pfl n TYR 472 N 4.89 0.00 -0.33 0.43 4.19 -1.26 -1.45 117.16 123.63 3pfl n TYR 472 Ca -0.16 0.00 0.10 0.00 3.31 0.00 0.00 57.90 61.16 3pfl n TYR 472 Cb 0.50 -0.36 0.23 0.00 0.49 0.00 0.00 39.34 40.19 3pfl n TYR 472 CO 0.00 0.00 0.00 -0.44 0.91 0.00 0.00 176.86 177.33 3pfl h ASP 473 N 0.00 -0.57 0.07 2.98 5.19 -1.96 0.12 116.42 122.26 3pfl h ASP 473 Ca 0.00 0.27 -0.00 0.00 -0.62 0.00 0.00 57.03 56.67 3pfl h ASP 473 Cb 0.00 0.49 0.00 0.00 0.18 0.00 0.00 39.33 40.00 3pfl h ASP 473 CO 0.00 -0.31 -0.03 -0.08 -3.12 0.00 0.00 179.24 175.69 3pfl h GLU 474 N 0.02 -0.09 0.37 3.56 4.81 -1.78 -1.50 114.58 119.97 3pfl h GLU 474 Ca 0.53 0.01 -0.00 0.00 -0.13 0.00 0.00 59.36 59.76 3pfl h GLU 474 Cb 1.00 0.02 -0.02 0.00 0.63 0.00 0.00 28.75 30.38 3pfl h GLU 474 CO -0.90 0.19 -0.38 0.28 -0.73 0.00 0.00 179.01 177.47 3pfl h VAL 475 N -0.37 0.22 -0.13 0.32 2.07 -0.15 -2.86 116.25 115.34 3pfl h VAL 475 Ca -0.01 0.00 0.04 0.00 0.82 0.00 0.00 66.70 67.55 3pfl h VAL 475 Cb 0.33 0.22 -0.07 0.00 -1.52 0.00 0.00 31.29 30.25 3pfl h VAL 475 CO 0.02 0.00 -0.47 -0.03 0.02 0.00 0.00 177.57 177.11 3pfl h MET 476 N -0.78 -0.51 -0.82 1.57 1.85 -0.83 0.54 114.93 115.95 3pfl h MET 476 Ca -0.03 0.03 0.10 0.00 -0.61 0.00 0.00 59.70 59.19 3pfl h MET 476 Cb 0.70 0.12 -0.11 0.00 0.43 0.00 0.00 31.60 32.74 3pfl h MET 476 CO -0.07 -0.34 -0.41 -1.91 -0.40 0.00 0.00 176.91 173.78 3pfl n GLU 477 N -5.44 -0.29 0.28 0.39 4.07 -0.56 0.84 120.64 119.93 3pfl n GLU 477 Ca -0.05 1.25 -0.18 0.00 -0.06 0.00 0.00 57.16 58.12 3pfl n GLU 477 Cb 0.37 -1.84 -0.09 0.00 -0.06 0.00 0.00 31.44 29.81 3pfl n GLU 477 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 3pfl h ARG 478 N 0.00 -0.92 -0.99 5.31 2.47 -1.06 -1.57 114.38 117.61 3pfl h ARG 478 Ca 0.20 0.06 0.22 0.00 -1.26 0.00 0.00 59.98 59.20 3pfl h ARG 478 Cb 0.40 0.21 -0.19 0.00 -1.65 0.00 0.00 29.97 28.75 3pfl h ARG 478 CO -0.79 -0.62 -0.17 -0.12 0.56 0.00 0.00 179.97 178.83 3pfl n MET 479 N -5.55 -0.09 0.20 0.04 0.00 0.22 0.59 117.12 112.54 3pfl n MET 479 Ca -0.12 1.53 -0.15 0.00 -0.00 0.00 0.00 57.70 58.96 3pfl n MET 479 Cb 0.45 -2.32 -0.07 0.00 0.00 0.00 0.00 33.22 31.27 3pfl n MET 479 CO 0.00 0.00 0.00 0.22 0.00 0.00 0.00 175.97 176.19 3pfl h ASP 480 N 0.00 -0.99 -1.00 6.12 3.58 0.12 0.36 116.42 124.61 3pfl h ASP 480 Ca 0.51 0.09 0.15 0.00 0.42 0.00 0.00 57.03 58.20 3pfl h ASP 480 Cb 0.87 0.34 -0.09 0.00 1.72 0.00 0.00 39.33 42.17 3pfl h ASP 480 CO -1.00 -0.48 0.62 -0.74 -2.88 0.00 0.00 179.24 174.76 3pfl h HIS 481 N -0.70 1.12 -0.12 0.28 2.76 0.11 -0.36 115.15 118.23 3pfl h HIS 481 Ca -0.01 0.03 -0.16 0.00 -2.20 0.00 0.00 60.37 58.03 3pfl h HIS 481 Cb 0.65 -0.35 -0.01 0.00 1.55 0.00 0.00 27.41 29.26 3pfl h HIS 481 CO -0.23 0.37 -0.62 0.74 -1.30 0.00 0.00 177.93 176.89 3pfl h PHE 482 N 0.91 0.55 -0.32 5.26 -1.00 0.04 -2.86 116.94 119.52 3pfl h PHE 482 Ca 0.53 -0.21 -0.02 0.00 2.81 0.00 0.00 57.97 61.07 3pfl h PHE 482 Cb 0.64 -0.10 -0.02 0.00 3.61 0.00 0.00 35.95 40.09 3pfl h PHE 482 CO -0.00 0.93 0.10 0.52 -1.61 0.00 0.00 178.31 178.25 3pfl h MET 483 N 0.32 0.46 -0.52 1.51 2.86 0.14 0.16 114.93 119.85 3pfl h MET 483 Ca -0.01 -0.06 -0.02 0.00 -2.06 0.00 0.00 59.70 57.55 3pfl h MET 483 Cb 1.16 -0.09 -0.02 0.00 0.06 0.00 0.00 31.60 32.71 3pfl h MET 483 CO 0.11 0.40 0.25 -0.44 1.06 0.00 0.00 176.91 178.29 3pfl h ASP 484 N 0.46 0.69 -0.47 1.22 3.32 -1.12 -0.29 116.42 120.22 3pfl h ASP 484 Ca 0.11 -0.13 -0.04 0.00 0.02 0.00 0.00 57.03 56.98 3pfl h ASP 484 Cb 0.14 -0.18 -0.02 0.00 0.22 0.00 0.00 39.33 39.49 3pfl h ASP 484 CO -0.01 0.63 0.13 -0.25 -1.72 0.00 0.00 179.24 178.02 3pfl h TRP 485 N 0.70 0.79 -0.08 4.55 7.01 -1.17 -2.04 115.95 125.71 3pfl h TRP 485 Ca 0.18 -0.09 0.01 0.00 2.11 0.00 0.00 58.89 61.10 3pfl h TRP 485 Cb 0.13 -0.22 -0.01 0.00 -2.10 0.00 0.00 29.16 26.96 3pfl h TRP 485 CO -0.00 0.71 0.02 1.25 -2.79 0.00 0.00 178.44 177.62 3pfl h LEU 486 N 0.64 0.02 -1.29 0.65 7.12 -0.65 -1.53 115.31 120.26 3pfl h LEU 486 Ca 0.15 0.01 0.06 0.00 0.13 0.00 0.00 57.88 58.23 3pfl h LEU 486 Cb 0.31 0.01 -0.05 0.00 -0.53 0.00 0.00 40.66 40.40 3pfl h LEU 486 CO -0.00 0.02 0.52 0.00 -0.13 0.00 0.00 178.44 178.85 3pfl h ALA 487 N 1.05 1.63 -0.15 1.25 0.00 -0.89 0.21 119.26 122.36 3pfl h ALA 487 Ca 0.03 -0.02 -0.19 0.00 0.00 0.00 0.00 54.91 54.73 3pfl h ALA 487 Cb 0.02 -0.22 0.01 0.00 0.00 0.00 0.00 17.79 17.60 3pfl h ALA 487 CO -0.04 0.25 -0.65 -0.22 0.00 0.00 0.00 179.25 178.59 3pfl h LYS 488 N 0.86 0.70 -0.42 0.00 3.64 -0.95 -1.95 116.57 118.45 3pfl h LYS 488 Ca 0.34 -0.56 -0.12 0.00 -1.27 0.00 0.00 60.65 59.04 3pfl h LYS 488 Cb 0.23 0.11 -0.01 0.00 -0.41 0.00 0.00 32.23 32.15 3pfl h LYS 488 CO -0.12 1.17 -0.20 1.96 -2.27 0.00 0.00 179.45 180.00 3pfl h GLN 489 N 0.40 0.88 0.12 1.90 1.08 -0.77 -1.84 115.11 116.89 3pfl h GLN 489 Ca -0.04 -0.39 -0.01 0.00 -1.45 0.00 0.00 58.65 56.77 3pfl h GLN 489 Cb 1.28 -0.03 0.00 0.00 -0.05 0.00 0.00 27.48 28.69 3pfl h GLN 489 CO 0.14 1.03 -0.06 -0.92 -0.95 0.00 0.00 178.83 178.07 3pfl h TYR 490 N 0.71 -0.15 -0.75 2.96 3.20 -0.63 -0.82 116.97 121.49 3pfl h TYR 490 Ca 0.09 -0.00 -0.04 0.00 3.14 0.00 0.00 58.73 61.92 3pfl h TYR 490 Cb 0.77 0.05 -0.03 0.00 1.54 0.00 0.00 36.73 39.05 3pfl h TYR 490 CO 0.06 0.02 0.31 0.82 -1.64 0.00 0.00 178.16 177.72 3pfl h ILE 491 N -0.30 1.25 -0.64 1.81 1.08 -1.39 -1.88 117.51 117.45 3pfl h ILE 491 Ca -0.02 -0.78 -0.01 0.00 -0.39 0.00 0.00 64.86 63.67 3pfl h ILE 491 Cb 0.24 0.34 -0.03 0.00 -3.07 0.00 0.00 36.82 34.30 3pfl h ILE 491 CO 0.03 0.32 0.36 0.74 -0.69 0.00 0.00 178.15 178.91 3pfl h THR 492 N 1.09 1.20 -0.38 -0.27 2.02 -1.15 0.10 112.91 115.52 3pfl h THR 492 Ca 0.25 -0.48 -0.04 0.00 0.77 0.00 0.00 66.41 66.91 3pfl h THR 492 Cb 0.19 0.35 -0.02 0.00 -1.74 0.00 0.00 68.15 66.94 3pfl h THR 492 CO -0.02 0.21 0.10 0.00 0.37 0.00 0.00 175.52 176.18 3pfl h ALA 493 N 1.18 0.50 -0.40 6.16 0.00 -0.78 -2.67 119.26 123.24 3pfl h ALA 493 Ca 0.23 -0.18 -0.09 0.00 0.00 0.00 0.00 54.91 54.87 3pfl h ALA 493 Cb 0.02 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.65 3pfl h ALA 493 CO -0.04 0.17 -0.11 -0.07 0.00 0.00 0.00 179.25 179.20 3pfl h LEU 494 N 0.47 0.70 -0.13 0.00 3.38 -1.09 -1.09 115.31 117.55 3pfl h LEU 494 Ca 0.12 -0.20 0.01 0.00 0.09 0.00 0.00 57.88 57.90 3pfl h LEU 494 Cb 0.30 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 40.84 3pfl h LEU 494 CO 0.00 0.84 0.04 0.78 0.09 0.00 0.00 178.44 180.19 3pfl h ASN 495 N 0.65 0.04 -0.21 -0.43 2.35 -0.61 -0.20 115.58 117.17 3pfl h ASN 495 Ca 0.11 0.01 -0.12 0.00 -0.55 0.00 0.00 56.30 55.75 3pfl h ASN 495 Cb 0.57 0.01 -0.01 0.00 0.05 0.00 0.00 38.32 38.94 3pfl h ASN 495 CO 0.04 0.04 -0.28 0.16 -1.65 0.00 0.00 177.43 175.73 3pfl h ILE 496 N 0.10 1.28 -0.04 2.81 -0.00 -1.35 -2.59 117.51 117.71 3pfl h ILE 496 Ca 0.05 -1.41 0.00 0.00 -0.00 0.00 0.00 64.86 63.51 3pfl h ILE 496 Cb 0.03 1.32 -0.00 0.00 -0.00 0.00 0.00 36.82 38.17 3pfl h ILE 496 CO -0.06 0.46 0.01 0.40 -0.00 0.00 0.00 178.15 178.96 3pfl h ILE 497 N 0.60 0.99 0.00 0.16 2.04 -0.66 -1.64 117.51 119.01 3pfl h ILE 497 Ca 0.07 -0.01 0.00 0.00 1.00 0.00 0.00 64.86 65.92 3pfl h ILE 497 Cb 0.79 0.96 0.00 0.00 -0.74 0.00 0.00 36.82 37.83 3pfl h ILE 497 CO 0.07 0.01 0.00 1.41 0.00 0.00 0.00 178.15 179.63 3pfl n HIS 498 N -5.08 0.95 -0.03 1.37 8.25 -0.14 -1.40 115.22 119.15 3pfl n HIS 498 Ca -0.06 0.30 -0.15 0.00 -0.26 0.00 0.00 57.72 57.54 3pfl n HIS 498 Cb 0.04 -0.98 -0.10 0.00 1.12 0.00 0.00 29.99 30.06 3pfl n HIS 498 CO 0.00 0.00 0.00 -0.92 0.64 0.00 0.00 176.34 176.06 3pfl h TYR 499 N 0.00 0.39 -0.16 4.41 5.03 -1.13 -2.68 116.97 122.83 3pfl h TYR 499 Ca 0.00 -0.18 -0.12 0.00 2.58 0.00 0.00 58.73 61.01 3pfl h TYR 499 Cb 0.66 -0.05 -0.01 0.00 1.55 0.00 0.00 36.73 38.87 3pfl h TYR 499 CO 0.00 0.94 -0.42 0.52 -1.32 0.00 0.00 178.16 177.89 3pfl h MET 500 N -0.28 0.38 -0.37 1.82 2.86 -1.09 -2.52 114.93 115.73 3pfl h MET 500 Ca -0.03 -0.19 -0.14 0.00 -2.06 0.00 0.00 59.70 57.28 3pfl h MET 500 Cb 1.00 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.65 3pfl h MET 500 CO 0.06 0.73 -0.32 1.25 1.06 0.00 0.00 176.91 179.70 3pfl h HIS 501 N 0.32 0.96 -0.35 -0.22 2.76 -1.28 0.38 115.15 117.71 3pfl h HIS 501 Ca 0.03 -0.26 -0.06 0.00 -2.20 0.00 0.00 60.37 57.88 3pfl h HIS 501 Cb 0.87 -0.21 -0.02 0.00 1.55 0.00 0.00 27.41 29.60 3pfl h HIS 501 CO 0.02 1.03 -0.03 -0.44 -1.30 0.00 0.00 177.93 177.21 3pfl h ASP 502 N 0.69 0.53 0.01 3.26 5.19 -1.38 0.02 116.42 124.74 3pfl h ASP 502 Ca 0.07 -0.12 -0.03 0.00 -0.62 0.00 0.00 57.03 56.34 3pfl h ASP 502 Cb 0.87 -0.14 0.00 0.00 0.18 0.00 0.00 39.33 40.25 3pfl h ASP 502 CO 0.08 0.63 -0.13 0.50 -3.12 0.00 0.00 179.24 177.20 3pfl h LYS 503 N 0.53 0.07 -0.01 3.56 3.64 -0.97 -3.34 116.57 120.06 3pfl h LYS 503 Ca 0.11 -0.09 0.00 0.00 -1.27 0.00 0.00 60.65 59.40 3pfl h LYS 503 Cb 0.40 0.03 0.00 0.00 -0.41 0.00 0.00 32.23 32.24 3pfl h LYS 503 CO 0.02 0.90 -0.47 0.66 -2.27 0.00 0.00 179.45 178.29 3pfl n TYR 504 N -4.59 0.00 -2.73 1.91 4.01 0.13 -4.67 117.16 111.21 3pfl n TYR 504 Ca -0.10 0.00 -0.03 0.00 -0.16 0.00 0.00 57.90 57.61 3pfl n TYR 504 Cb 0.47 0.00 0.08 0.00 -0.31 0.00 0.00 39.34 39.58 3pfl n TYR 504 CO 0.00 0.00 0.00 0.45 -0.46 0.00 0.00 176.86 176.85 3pfl n SER 505 N -0.44 0.07 -4.68 7.72 2.88 -0.05 -4.64 113.62 114.48 3pfl n SER 505 Ca 0.06 -2.27 -0.44 0.00 -1.33 0.00 0.00 58.87 54.88 3pfl n SER 505 Cb 0.34 0.10 -0.04 0.00 -0.75 0.00 0.00 64.21 63.86 3pfl n SER 505 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 3pfl n TYR 506 N -0.80 2.48 -1.81 0.66 9.36 -0.94 -4.81 117.16 121.31 3pfl n TYR 506 Ca -0.02 -0.07 -0.42 0.00 3.32 0.00 0.00 57.90 60.71 3pfl n TYR 506 Cb 0.84 -2.69 -0.01 0.00 -0.63 0.00 0.00 39.34 36.84 3pfl n TYR 506 CO 0.00 0.00 0.00 0.39 0.22 0.00 0.00 176.86 177.47 3pfl n GLU 507 N 5.74 2.71 -0.14 2.98 4.71 -1.26 -4.79 120.64 130.59 3pfl n GLU 507 Ca 0.19 -2.62 -0.04 0.00 -0.01 0.00 0.00 57.16 54.69 3pfl n GLU 507 Cb 0.34 -3.29 0.03 0.00 -1.01 0.00 0.00 31.44 27.51 3pfl n GLU 507 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 3pfl h ALA 508 N 6.58 0.31 0.00 0.62 0.00 -1.90 -1.44 119.26 123.43 3pfl h ALA 508 Ca 0.52 0.17 -0.04 0.00 0.00 0.00 0.00 54.91 55.56 3pfl h ALA 508 Cb 0.69 0.32 -0.01 0.00 0.00 0.00 0.00 17.79 18.80 3pfl h ALA 508 CO 1.81 -0.44 -0.21 0.66 0.00 0.00 0.00 179.25 181.07 3pfl h SER 509 N 0.01 0.00 0.21 0.00 4.64 -1.87 -1.16 113.55 115.38 3pfl h SER 509 Ca 0.22 0.00 -0.35 0.00 -0.47 0.00 0.00 61.79 61.19 3pfl h SER 509 Cb 0.33 0.00 0.02 0.00 -0.31 0.00 0.00 62.40 62.44 3pfl h SER 509 CO -0.45 0.21 -1.66 -0.07 -0.87 0.00 0.00 176.83 173.99 3pfl h LEU 510 N 0.00 0.70 -1.47 5.97 4.07 -1.83 -3.30 115.31 119.44 3pfl h LEU 510 Ca -0.00 -0.93 -0.03 0.00 0.08 0.00 0.00 57.88 57.00 3pfl h LEU 510 Cb 0.40 -0.23 -0.00 0.00 1.08 0.00 0.00 40.66 41.91 3pfl h LEU 510 CO 0.03 1.77 -0.13 0.24 -1.08 0.00 0.00 178.44 179.27 3pfl h MET 511 N 0.12 0.00 0.00 1.13 2.86 -1.15 -1.88 114.93 116.02 3pfl h MET 511 Ca -0.32 0.00 -0.01 0.00 -2.06 0.00 0.00 59.70 57.32 3pfl h MET 511 Cb 2.13 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 33.78 3pfl h MET 511 CO 0.21 0.13 -0.03 0.00 1.06 0.00 0.00 176.91 178.28 3pfl h ALA 512 N 1.87 1.09 -0.81 6.32 0.00 -1.29 -1.88 119.26 124.57 3pfl h ALA 512 Ca -0.00 -0.03 -0.35 0.00 0.00 0.00 0.00 54.91 54.53 3pfl h ALA 512 Cb 0.56 -0.00 -0.21 0.00 0.00 0.00 0.00 17.79 18.13 3pfl h ALA 512 CO 0.02 0.04 0.41 1.28 0.00 0.00 0.00 179.25 180.99 3pfl n LEU 513 N -3.25 6.14 -4.48 0.00 4.32 -0.70 -4.93 117.00 114.10 3pfl n LEU 513 Ca -0.02 -3.46 -0.23 0.00 -0.02 0.00 0.00 56.01 52.28 3pfl n LEU 513 Cb 0.18 -0.77 -0.11 0.00 -1.62 0.00 0.00 43.42 41.10 3pfl n LEU 513 CO 0.25 0.97 -0.31 -1.00 -1.22 0.00 0.00 177.39 176.08 3pfl s HIS 514 N -3.17 2.09 1.22 -1.77 3.76 -0.71 -2.14 115.29 114.58 3pfl s HIS 514 Ca 0.55 -0.78 -0.18 0.00 -0.15 0.00 0.00 55.06 54.49 3pfl s HIS 514 Cb 0.45 -1.32 0.29 0.00 1.11 0.00 0.00 32.58 33.11 3pfl s HIS 514 CO 0.11 0.22 1.06 -0.51 -0.85 0.00 0.00 174.74 174.77 3pfl s ASP 515 N -3.52 0.74 0.13 1.40 1.01 0.31 -4.94 116.67 111.80 3pfl s ASP 515 Ca 0.33 0.82 -0.16 0.00 0.71 0.00 0.00 52.55 54.26 3pfl s ASP 515 Cb 0.07 -1.20 -0.01 0.00 1.01 0.00 0.00 42.92 42.79 3pfl s ASP 515 CO 0.15 -4.26 1.68 -0.09 0.21 0.00 0.00 175.17 172.86 3pfl h ARG 516 N -2.67 0.57 -5.26 8.23 2.43 -1.94 -3.41 114.38 112.33 3pfl h ARG 516 Ca -0.48 -0.10 -0.64 0.00 -0.81 0.00 0.00 59.98 57.95 3pfl h ARG 516 Cb 1.31 -0.09 -0.22 0.00 -0.42 0.00 0.00 29.97 30.55 3pfl h ARG 516 CO 0.38 0.54 -0.67 -0.51 -1.51 0.00 0.00 179.97 178.20 3pfl s ASP 517 N -5.82 4.74 -0.06 -3.80 1.01 -1.26 -5.09 116.67 106.39 3pfl s ASP 517 Ca -0.13 -0.16 0.06 0.00 0.71 0.00 0.00 52.55 53.02 3pfl s ASP 517 Cb 0.10 -1.78 -0.01 0.00 1.01 0.00 0.00 42.92 42.24 3pfl s ASP 517 CO 0.75 0.14 -0.25 -0.69 0.21 0.00 0.00 175.17 175.33 3pfl s VAL 518 N 0.52 2.03 0.18 -1.27 1.01 -1.26 -4.93 120.40 116.68 3pfl s VAL 518 Ca -0.03 -1.04 -0.30 0.00 0.00 0.00 0.00 61.98 60.60 3pfl s VAL 518 Cb -0.14 -1.73 -0.08 0.00 0.00 0.00 0.00 36.38 34.43 3pfl s VAL 518 CO 0.03 0.56 1.26 -0.63 0.00 0.00 0.00 175.10 176.32 3pfl s ILE 519 N -0.06 3.41 -0.04 2.22 1.01 -0.65 -4.89 121.20 122.20 3pfl s ILE 519 Ca -0.07 1.16 0.04 0.00 0.00 0.00 0.00 60.65 61.78 3pfl s ILE 519 Cb -0.14 -3.74 -0.00 0.00 0.01 0.00 0.00 42.46 38.58 3pfl s ILE 519 CO 0.05 0.17 -0.16 -0.13 0.00 0.00 0.00 174.94 174.86 3pfl s ARG 520 N -0.06 1.74 0.13 2.79 0.52 -1.26 -0.49 118.95 122.32 3pfl s ARG 520 Ca 0.55 -0.58 0.10 0.00 -0.52 0.00 0.00 55.73 55.28 3pfl s ARG 520 Cb -0.34 -1.51 -0.04 0.00 0.52 0.00 0.00 34.95 33.58 3pfl s ARG 520 CO 0.37 0.22 -0.21 0.95 0.02 0.00 0.00 175.30 176.64 3pfl s THR 521 N 0.09 2.60 -0.87 0.02 -4.23 -1.15 -1.11 115.64 111.00 3pfl s THR 521 Ca -0.05 -1.66 -0.10 0.00 -1.18 0.00 0.00 61.69 58.70 3pfl s THR 521 Cb -0.12 -2.19 0.23 0.00 1.34 0.00 0.00 72.50 71.76 3pfl s THR 521 CO 0.02 0.06 0.81 -0.32 -0.54 0.00 0.00 174.62 174.65 3pfl s MET 522 N -2.21 3.58 -0.33 3.99 1.75 0.37 0.06 119.30 126.51 3pfl s MET 522 Ca 0.17 -2.73 -0.29 0.00 -1.25 0.00 0.00 55.69 51.59 3pfl s MET 522 Cb -0.10 -4.32 0.01 0.00 2.84 0.00 0.00 34.83 33.26 3pfl s MET 522 CO 0.09 -1.26 1.28 0.00 -0.65 0.00 0.00 175.02 174.48 3pfl s ALA 523 N -0.35 3.31 -0.07 4.11 0.00 -1.05 -0.68 121.76 127.03 3pfl s ALA 523 Ca 0.22 -0.00 0.01 0.00 0.00 0.00 0.00 51.96 52.18 3pfl s ALA 523 Cb -0.11 -3.80 -0.03 0.00 0.00 0.00 0.00 23.12 19.18 3pfl s ALA 523 CO -0.08 -1.88 -0.07 0.00 0.00 0.00 0.00 175.76 173.72 3pfl s GLY 525 N -0.78 1.73 -0.14 0.00 0.00 -0.94 -1.01 107.32 106.18 3pfl s GLY 525 Ca 0.12 -1.15 -0.01 0.00 0.00 0.00 0.00 44.72 43.68 3pfl s GLY 525 CO 0.01 -1.07 -0.11 -0.42 0.00 0.00 0.00 173.10 171.52 3pfl s ILE 526 N -1.07 3.24 0.30 0.90 -1.09 -0.62 0.12 121.20 122.97 3pfl s ILE 526 Ca 0.18 -0.59 0.08 0.00 -2.23 0.00 0.00 60.65 58.09 3pfl s ILE 526 Cb -0.11 -2.38 -0.04 0.00 -1.58 0.00 0.00 42.46 38.36 3pfl s ILE 526 CO 0.10 0.51 0.17 0.00 -1.23 0.00 0.00 174.94 174.49 3pfl s ALA 527 N 0.39 3.55 -1.50 9.38 0.00 0.38 -3.94 121.76 130.02 3pfl s ALA 527 Ca -0.09 -1.64 -0.13 0.00 0.00 0.00 0.00 51.96 50.11 3pfl s ALA 527 Cb -0.15 -1.01 0.07 0.00 0.00 0.00 0.00 23.12 22.02 3pfl s ALA 527 CO 0.05 0.13 1.02 0.41 0.00 0.00 0.00 175.76 177.37 3pfl n GLY 528 N -1.17 -0.50 0.14 0.00 0.00 -1.26 -2.93 105.19 99.47 3pfl n GLY 528 Ca -0.05 0.21 -0.09 0.00 0.00 0.00 0.00 46.02 46.09 3pfl n GLY 528 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 3pfl h LEU 529 N -2.21 0.33 -1.25 0.99 6.46 -1.83 -2.06 115.31 115.74 3pfl h LEU 529 Ca -0.58 -0.04 -0.07 0.00 -0.12 0.00 0.00 57.88 57.07 3pfl h LEU 529 Cb 1.37 -0.08 -0.01 0.00 -0.73 0.00 0.00 40.66 41.21 3pfl h LEU 529 CO 0.65 0.27 -0.21 0.77 -0.62 0.00 0.00 178.44 179.31 3pfl h SER 530 N 0.36 0.25 0.90 1.25 4.64 -1.87 0.15 113.55 119.22 3pfl h SER 530 Ca 0.10 -0.07 -0.14 0.00 -0.47 0.00 0.00 61.79 61.22 3pfl h SER 530 Cb -0.00 -0.07 -0.02 0.00 -0.31 0.00 0.00 62.40 62.00 3pfl h SER 530 CO -0.02 0.47 -0.67 1.62 -0.87 0.00 0.00 176.83 177.37 3pfl h VAL 531 N 0.24 1.33 -0.04 0.95 3.04 -1.87 -2.03 116.25 117.87 3pfl h VAL 531 Ca 0.04 -2.40 -0.08 0.00 -1.01 0.00 0.00 66.70 63.25 3pfl h VAL 531 Cb 0.51 2.35 0.00 0.00 -2.01 0.00 0.00 31.29 32.14 3pfl h VAL 531 CO 0.03 0.65 -0.28 0.00 -1.01 0.00 0.00 177.57 176.96 3pfl h ALA 532 N 1.33 0.10 -0.21 3.17 0.00 -0.74 -2.18 119.26 120.73 3pfl h ALA 532 Ca -0.01 -0.44 -0.01 0.00 0.00 0.00 0.00 54.91 54.45 3pfl h ALA 532 Cb 1.29 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 19.07 3pfl h ALA 532 CO 0.09 0.14 0.08 0.00 0.00 0.00 0.00 179.25 179.55 3pfl h ALA 533 N 0.38 0.27 -0.01 0.00 0.00 -0.73 -2.61 119.26 116.56 3pfl h ALA 533 Ca -0.02 -0.12 -0.00 0.00 0.00 0.00 0.00 54.91 54.77 3pfl h ALA 533 Cb 0.96 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 18.67 3pfl h ALA 533 CO 0.06 -0.13 0.01 -0.44 0.00 0.00 0.00 179.25 178.74 3pfl h ASP 534 N 0.17 0.01 -0.94 0.00 3.32 -1.46 -2.07 116.42 115.45 3pfl h ASP 534 Ca 0.07 -0.03 0.25 0.00 0.02 0.00 0.00 57.03 57.34 3pfl h ASP 534 Cb 0.19 -0.00 -0.13 0.00 0.22 0.00 0.00 39.33 39.60 3pfl h ASP 534 CO -0.00 0.04 0.45 0.28 -1.72 0.00 0.00 179.24 178.28 3pfl h SER 535 N -0.02 0.38 -0.30 6.45 0.02 -1.29 0.74 113.55 119.53 3pfl h SER 535 Ca 0.00 0.17 -0.13 0.00 -0.84 0.00 0.00 61.79 61.00 3pfl h SER 535 Cb 0.03 0.14 -0.01 0.00 0.14 0.00 0.00 62.40 62.70 3pfl h SER 535 CO -0.00 -0.05 -0.26 -0.07 -1.14 0.00 0.00 176.83 175.31 3pfl h LEU 536 N 0.38 0.83 -0.02 5.07 3.38 -1.04 -2.71 115.31 121.20 3pfl h LEU 536 Ca 0.62 -0.32 0.02 0.00 0.09 0.00 0.00 57.88 58.29 3pfl h LEU 536 Cb 1.26 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 41.76 3pfl h LEU 536 CO -0.56 1.05 -0.09 -1.28 0.09 0.00 0.00 178.44 177.64 3pfl h SER 537 N 0.69 -0.26 -0.11 -0.43 0.87 0.11 -0.98 113.55 113.43 3pfl h SER 537 Ca 0.09 0.04 0.04 0.00 -1.23 0.00 0.00 61.79 60.73 3pfl h SER 537 Cb 0.79 0.12 -0.06 0.00 -0.44 0.00 0.00 62.40 62.81 3pfl h SER 537 CO 0.07 -0.13 -0.41 0.00 -0.53 0.00 0.00 176.83 175.82 3pfl h ALA 538 N 0.84 -0.58 -0.04 6.23 0.00 -1.04 0.74 119.26 125.42 3pfl h ALA 538 Ca 0.04 -0.01 0.01 0.00 0.00 0.00 0.00 54.91 54.95 3pfl h ALA 538 Cb 0.20 0.77 -0.00 0.00 0.00 0.00 0.00 17.79 18.76 3pfl h ALA 538 CO -0.10 -0.92 0.07 0.82 0.00 0.00 0.00 179.25 179.12 3pfl h ILE 539 N -0.49 0.25 0.00 0.00 2.04 -1.22 -0.20 117.51 117.88 3pfl h ILE 539 Ca 0.07 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.93 3pfl h ILE 539 Cb 0.62 0.93 0.00 0.00 -0.74 0.00 0.00 36.82 37.64 3pfl h ILE 539 CO -0.38 0.00 -0.75 1.17 0.00 0.00 0.00 178.15 178.18 3pfl n LYS 540 N -3.42 2.09 -0.34 2.37 4.81 0.03 -4.03 118.16 119.66 3pfl n LYS 540 Ca -0.02 -0.01 0.01 0.00 -0.87 0.00 0.00 58.31 57.43 3pfl n LYS 540 Cb 0.16 -1.20 0.02 0.00 0.02 0.00 0.00 35.03 34.03 3pfl n LYS 540 CO 0.00 0.00 0.00 0.66 1.17 0.00 0.00 177.40 179.23 3pfl n TYR 541 N -1.39 0.00 -2.07 5.64 4.01 0.24 -5.05 117.16 118.53 3pfl n TYR 541 Ca 0.02 -0.17 0.00 0.00 -0.16 0.00 0.00 57.90 57.60 3pfl n TYR 541 Cb 0.24 -0.06 0.00 0.00 -0.31 0.00 0.00 39.34 39.21 3pfl n TYR 541 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 3pfl n ALA 542 N -0.23 0.00 -3.94 -0.72 0.00 -0.11 -4.60 120.51 110.90 3pfl n ALA 542 Ca 0.02 0.00 -0.30 0.00 0.00 0.00 0.00 53.44 53.16 3pfl n ALA 542 Cb 0.65 0.00 -0.16 0.00 0.00 0.00 0.00 19.45 19.94 3pfl n ALA 542 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 3pfl s LYS 543 N 1.09 1.63 -0.30 0.00 3.01 0.18 -4.76 119.74 120.58 3pfl s LYS 543 Ca 0.00 -1.02 -0.11 0.00 -1.01 0.00 0.00 55.97 53.83 3pfl s LYS 543 Cb 0.00 -2.60 -0.03 0.00 -1.01 0.00 0.00 37.83 34.19 3pfl s LYS 543 CO 0.00 -0.61 0.18 0.08 0.51 0.00 0.00 175.35 175.51 3pfl s VAL 544 N 1.38 5.02 -0.36 3.17 1.01 -1.25 -0.24 120.40 129.13 3pfl s VAL 544 Ca -0.05 -0.12 -0.11 0.00 0.00 0.00 0.00 61.98 61.70 3pfl s VAL 544 Cb -0.19 -3.48 0.01 0.00 0.00 0.00 0.00 36.38 32.73 3pfl s VAL 544 CO -0.06 0.14 0.20 -0.75 0.00 0.00 0.00 175.10 174.63 3pfl s LYS 545 N 1.70 3.03 -0.85 2.72 2.20 0.34 -1.92 119.74 126.96 3pfl s LYS 545 Ca 0.06 -0.94 -0.25 0.00 -0.36 0.00 0.00 55.97 54.48 3pfl s LYS 545 Cb -0.17 -3.72 -0.03 0.00 -1.51 0.00 0.00 37.83 32.40 3pfl s LYS 545 CO 0.09 -0.61 1.88 -2.14 -0.36 0.00 0.00 175.35 174.21 3pfl s PRO 546 N 1.60 2.66 -0.95 4.03 0.02 -1.26 0.16 135.00 141.26 3pfl s PRO 546 Ca 0.03 -0.17 -0.24 0.00 0.02 0.00 0.00 61.00 60.64 3pfl s PRO 546 Cb -0.18 -4.94 -0.06 0.00 0.02 0.00 0.00 34.50 29.33 3pfl s PRO 546 CO 0.07 -3.15 1.98 0.42 -0.33 0.00 0.00 177.00 176.00 3pfl s ILE 547 N 9.44 3.43 0.97 2.83 1.01 0.13 -4.92 121.20 134.09 3pfl s ILE 547 Ca 0.67 -0.44 -0.17 0.00 0.00 0.00 0.00 60.65 60.72 3pfl s ILE 547 Cb -0.07 -4.04 0.23 0.00 0.01 0.00 0.00 42.46 38.58 3pfl s ILE 547 CO 0.03 -0.87 1.25 0.54 0.00 0.00 0.00 174.94 175.89 3pfl n ARG 548 N 8.73 -1.50 -3.99 2.79 1.74 -1.26 -2.65 116.66 120.52 3pfl n ARG 548 Ca 0.42 -1.93 -0.22 0.00 -0.77 0.00 0.00 57.85 55.34 3pfl n ARG 548 Cb 0.47 -1.35 -0.06 0.00 -1.02 0.00 0.00 32.46 30.50 3pfl n ARG 548 CO 0.00 0.00 0.00 -0.40 -1.52 0.00 0.00 177.63 175.71 3pfl n ASP 549 N -3.96 1.84 -0.18 0.55 5.75 -1.05 -4.79 116.55 114.71 3pfl n ASP 549 Ca 0.16 -2.75 0.00 0.00 -0.01 0.00 0.00 54.79 52.19 3pfl n ASP 549 Cb 0.56 0.64 0.00 0.00 -1.03 0.00 0.00 41.12 41.29 3pfl n ASP 549 CO 0.00 0.00 0.00 -1.84 -0.11 0.00 0.00 177.20 175.25 3pfl n GLU 550 N -0.83 0.00 0.00 0.11 0.28 -1.26 0.26 120.64 119.20 3pfl n GLU 550 Ca -0.09 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 56.91 3pfl n GLU 550 Cb 0.50 -0.98 0.00 0.00 1.43 0.00 0.00 31.44 32.39 3pfl n GLU 550 CO 0.00 0.00 0.00 -0.25 -0.16 0.00 0.00 177.13 176.72 3pfl n ASP 551 N -0.12 0.15 0.00 -1.84 8.00 -1.26 -4.98 116.55 116.50 3pfl n ASP 551 Ca 0.00 -0.58 0.00 0.00 0.71 0.00 0.00 54.79 54.92 3pfl n ASP 551 Cb 0.00 0.15 0.00 0.00 -0.02 0.00 0.00 41.12 41.25 3pfl n ASP 551 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3pfl n GLY 552 N 0.15 0.67 3.60 0.44 0.00 0.14 -5.02 105.19 105.17 3pfl n GLY 552 Ca 0.00 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.59 3pfl n GLY 552 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3pfl s LEU 553 N 0.00 3.51 -0.43 0.99 2.96 -1.26 -4.61 118.68 119.85 3pfl s LEU 553 Ca 0.00 1.38 -0.27 0.00 -0.22 0.00 0.00 54.13 55.02 3pfl s LEU 553 Cb 0.00 -3.52 -0.06 0.00 0.50 0.00 0.00 46.19 43.11 3pfl s LEU 553 CO 0.00 -1.71 2.30 0.00 -1.32 0.00 0.00 176.35 175.62 3pfl s ALA 554 N 6.92 1.99 -1.04 5.97 0.00 -1.26 -2.54 121.76 131.79 3pfl s ALA 554 Ca 0.81 0.16 0.16 0.00 0.00 0.00 0.00 51.96 53.10 3pfl s ALA 554 Cb -0.24 -4.26 0.53 0.00 0.00 0.00 0.00 23.12 19.15 3pfl s ALA 554 CO 0.34 -3.95 1.45 0.44 0.00 0.00 0.00 175.76 174.04 3pfl n ILE 555 N 7.86 1.47 -3.58 0.00 -5.35 -1.08 -4.94 119.36 113.74 3pfl n ILE 555 Ca 0.33 -1.20 0.02 0.00 -0.27 0.00 0.00 62.75 61.63 3pfl n ILE 555 Cb 0.52 0.26 -0.00 0.00 -1.74 0.00 0.00 39.64 38.68 3pfl n ILE 555 CO 0.00 0.00 0.00 -0.62 -1.76 0.00 0.00 176.55 174.17 3pfl s ASP 556 N -1.12 -0.01 -0.08 7.28 -1.08 -1.12 -4.57 116.67 115.96 3pfl s ASP 556 Ca 0.39 -0.02 -0.06 0.00 -0.52 0.00 0.00 52.55 52.34 3pfl s ASP 556 Cb 0.24 0.03 0.03 0.00 -1.46 0.00 0.00 42.92 41.76 3pfl s ASP 556 CO 0.20 -0.06 0.21 -0.36 0.52 0.00 0.00 175.17 175.68 3pfl s PHE 557 N -2.09 -0.24 -0.08 -5.34 0.40 -1.25 0.20 117.98 109.58 3pfl s PHE 557 Ca 0.14 0.59 -0.11 0.00 -0.60 0.00 0.00 56.93 56.96 3pfl s PHE 557 Cb 0.06 0.06 -0.05 0.00 0.51 0.00 0.00 43.02 43.60 3pfl s PHE 557 CO -0.06 -0.14 0.26 -1.21 0.70 0.00 0.00 175.22 174.77 3pfl s GLU 558 N 0.45 3.72 -0.14 0.44 2.02 0.42 -4.82 118.70 120.79 3pfl s GLU 558 Ca -0.03 0.10 0.01 0.00 0.02 0.00 0.00 54.97 55.07 3pfl s GLU 558 Cb -0.04 -3.23 -0.00 0.00 0.10 0.00 0.00 34.13 30.96 3pfl s GLU 558 CO -0.02 0.69 -0.17 0.42 0.02 0.00 0.00 175.26 176.19 3pfl s ILE 559 N -0.88 2.59 -0.23 -1.63 1.01 -1.25 0.13 121.20 120.94 3pfl s ILE 559 Ca 0.18 -0.81 0.00 0.00 0.00 0.00 0.00 60.65 60.03 3pfl s ILE 559 Cb -0.14 -2.07 0.03 0.00 0.01 0.00 0.00 42.46 40.29 3pfl s ILE 559 CO 0.07 0.53 -0.12 -0.70 0.00 0.00 0.00 174.94 174.72 3pfl s GLU 560 N 0.64 2.78 0.00 2.79 2.12 0.67 -4.93 118.70 122.78 3pfl s GLU 560 Ca -0.09 -0.99 0.00 0.00 0.36 0.00 0.00 54.97 54.25 3pfl s GLU 560 Cb -0.16 -2.82 0.00 0.00 0.26 0.00 0.00 34.13 31.41 3pfl s GLU 560 CO 0.02 -0.36 0.00 0.41 -0.54 0.00 0.00 175.26 174.79 3pfl n GLY 561 N 4.60 2.21 3.82 -1.50 0.00 -1.26 -0.65 105.19 112.42 3pfl n GLY 561 Ca -0.18 -1.79 -0.29 0.00 0.00 0.00 0.00 46.02 43.77 3pfl n GLY 561 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3pfl s GLU 562 N -3.69 1.37 -0.06 1.61 0.41 -1.26 -4.79 118.70 112.30 3pfl s GLU 562 Ca 0.00 0.23 -0.29 0.00 -0.41 0.00 0.00 54.97 54.51 3pfl s GLU 562 Cb 0.00 -1.87 0.06 0.00 -1.78 0.00 0.00 34.13 30.54 3pfl s GLU 562 CO 0.00 -2.03 0.64 1.52 -0.49 0.00 0.00 175.26 174.91 3pfl s TYR 563 N -3.37 -0.62 0.19 1.61 1.13 -1.26 -4.48 117.35 110.55 3pfl s TYR 563 Ca 0.63 1.08 -0.33 0.00 -1.41 0.00 0.00 57.07 57.05 3pfl s TYR 563 Cb -0.14 0.37 -0.13 0.00 -1.10 0.00 0.00 41.96 40.96 3pfl s TYR 563 CO 0.52 -0.57 1.56 -2.30 -2.51 0.00 0.00 175.55 172.25 3pfl n PRO 564 N 1.05 2.21 -5.12 -3.49 -0.02 -1.26 -4.95 135.00 123.43 3pfl n PRO 564 Ca -0.19 0.80 -0.31 0.00 -2.02 0.00 0.00 63.50 61.78 3pfl n PRO 564 Cb 0.57 -2.55 -0.15 0.00 -0.02 0.00 0.00 33.50 31.35 3pfl n PRO 564 CO 0.00 0.00 0.00 -0.65 1.98 0.00 0.00 175.50 176.83 3pfl s GLN 565 N 0.59 2.10 0.22 -0.52 -0.21 -1.26 -4.69 119.66 115.89 3pfl s GLN 565 Ca 0.75 -0.93 -0.31 0.00 0.02 0.00 0.00 55.36 54.89 3pfl s GLN 565 Cb -0.65 -2.09 -0.11 0.00 1.00 0.00 0.00 33.01 31.17 3pfl s GLN 565 CO 0.40 0.56 1.55 0.12 -2.12 0.00 0.00 175.29 175.80 3pfl s PHE 566 N -0.69 2.97 0.00 0.91 5.36 -1.26 -3.59 117.98 121.67 3pfl s PHE 566 Ca 0.11 0.75 0.00 0.00 -0.96 0.00 0.00 56.93 56.83 3pfl s PHE 566 Cb -0.10 -3.95 0.00 0.00 -0.34 0.00 0.00 43.02 38.63 3pfl s PHE 566 CO 0.00 -3.34 0.00 0.41 -1.46 0.00 0.00 175.22 170.84 3pfl n GLY 567 N 2.98 1.19 0.37 13.12 0.00 -1.26 -4.49 105.19 117.09 3pfl n GLY 567 Ca 0.11 0.00 0.06 0.00 0.00 0.00 0.00 46.02 46.19 3pfl n GLY 567 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3pfl n ASN 568 N 0.00 1.43 -3.39 1.61 3.02 -1.24 -3.13 115.26 113.56 3pfl n ASN 568 Ca 0.00 -2.75 -0.24 0.00 -0.03 0.00 0.00 54.58 51.56 3pfl n ASN 568 Cb 0.00 -0.36 0.04 0.00 -0.61 0.00 0.00 39.78 38.85 3pfl n ASN 568 CO 0.00 0.00 0.00 -3.20 -2.62 0.00 0.00 177.26 171.44 3pfl n ASN 569 N -0.80 -5.64 -4.26 6.41 2.85 -1.26 -4.92 115.26 107.63 3pfl n ASN 569 Ca 0.10 -0.46 -0.42 0.00 -0.11 0.00 0.00 54.58 53.70 3pfl n ASN 569 Cb 0.70 -4.52 -0.08 0.00 1.24 0.00 0.00 39.78 37.12 3pfl n ASN 569 CO 0.00 0.00 0.00 -0.62 -2.11 0.00 0.00 177.26 174.53 3pfl s ASP 570 N -2.98 5.81 0.44 1.20 -1.08 -1.26 -4.95 116.67 113.85 3pfl s ASP 570 Ca 0.46 -1.72 0.12 0.00 -0.52 0.00 0.00 52.55 50.90 3pfl s ASP 570 Cb -0.22 -2.05 0.67 0.00 -1.46 0.00 0.00 42.92 39.86 3pfl s ASP 570 CO 0.57 -0.67 1.28 -0.65 0.52 0.00 0.00 175.17 176.22 3pfl h PRO 571 N 8.54 0.00 0.02 4.34 0.11 -1.95 0.58 132.00 143.64 3pfl h PRO 571 Ca -0.24 0.00 -0.21 0.00 0.11 0.00 0.00 66.00 65.66 3pfl h PRO 571 Cb 1.08 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.18 3pfl h PRO 571 CO 0.86 0.00 -0.96 0.00 -0.21 0.00 0.00 178.00 177.69 3pfl h ARG 572 N 0.00 0.11 0.03 1.05 3.08 -1.98 -0.96 114.38 115.70 3pfl h ARG 572 Ca 0.00 -0.14 -0.36 0.00 0.07 0.00 0.00 59.98 59.54 3pfl h ARG 572 Cb 0.98 0.05 -0.05 0.00 0.08 0.00 0.00 29.97 31.03 3pfl h ARG 572 CO 0.00 0.98 -2.21 1.55 -1.07 0.00 0.00 179.97 179.22 3pfl n VAL 573 N -3.52 1.55 -0.20 2.04 3.14 -0.13 -4.18 118.33 117.04 3pfl n VAL 573 Ca -0.03 -0.71 -0.10 0.00 -2.96 0.00 0.00 64.34 60.55 3pfl n VAL 573 Cb 0.88 -1.17 0.02 0.00 -1.06 0.00 0.00 33.84 32.50 3pfl n VAL 573 CO 0.00 0.00 0.00 0.44 -6.46 0.00 0.00 176.83 170.81 3pfl h ASP 574 N 0.02 1.05 0.76 6.55 5.19 -1.08 -2.87 116.42 126.03 3pfl h ASP 574 Ca -0.49 -0.34 0.00 0.00 -0.62 0.00 0.00 57.03 55.59 3pfl h ASP 574 Cb 2.04 -0.28 0.00 0.00 0.18 0.00 0.00 39.33 41.27 3pfl h ASP 574 CO 0.01 1.14 0.00 0.44 -3.12 0.00 0.00 179.24 177.71 3pfl h ASP 575 N 0.94 0.00 0.00 6.45 3.32 -1.36 -2.33 116.42 123.44 3pfl h ASP 575 Ca 0.15 0.00 -0.05 0.00 0.02 0.00 0.00 57.03 57.16 3pfl h ASP 575 Cb 0.64 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.20 3pfl h ASP 575 CO 0.04 0.00 -0.18 -0.07 -1.72 0.00 0.00 179.24 177.31 3pfl h LEU 576 N 0.00 0.15 0.27 1.55 3.38 -1.67 -2.81 115.31 116.18 3pfl h LEU 576 Ca 0.00 -0.80 0.00 0.00 0.09 0.00 0.00 57.88 57.17 3pfl h LEU 576 Cb 0.38 -0.05 -0.04 0.00 0.09 0.00 0.00 40.66 41.04 3pfl h LEU 576 CO 0.00 0.94 -0.49 0.00 0.09 0.00 0.00 178.44 178.98 3pfl h ALA 577 N 0.22 -0.98 -1.00 1.53 0.00 -1.38 0.41 119.26 118.05 3pfl h ALA 577 Ca -0.02 -0.13 0.23 0.00 0.00 0.00 0.00 54.91 54.98 3pfl h ALA 577 Cb 0.97 0.78 -0.10 0.00 0.00 0.00 0.00 17.79 19.43 3pfl h ALA 577 CO 0.04 -1.11 0.62 0.28 0.00 0.00 0.00 179.25 179.08 3pfl h VAL 578 N -0.82 0.61 -0.35 0.00 2.07 -1.55 -0.30 116.25 115.91 3pfl h VAL 578 Ca -0.02 -0.20 -0.11 0.00 0.82 0.00 0.00 66.70 67.19 3pfl h VAL 578 Cb 0.78 -0.03 -0.01 0.00 -1.52 0.00 0.00 31.29 30.52 3pfl h VAL 578 CO -0.19 0.11 -0.20 -0.78 0.02 0.00 0.00 177.57 176.53 3pfl h ASP 579 N 0.58 0.78 0.35 0.57 3.58 -1.00 -2.64 116.42 118.64 3pfl h ASP 579 Ca 0.59 -0.42 -0.01 0.00 0.42 0.00 0.00 57.03 57.61 3pfl h ASP 579 Cb 1.17 -0.22 -0.00 0.00 1.72 0.00 0.00 39.33 42.00 3pfl h ASP 579 CO -0.37 1.02 -0.21 -0.07 -2.88 0.00 0.00 179.24 176.74 3pfl h LEU 580 N 0.53 -0.53 -0.84 2.28 3.38 0.76 -0.02 115.31 120.87 3pfl h LEU 580 Ca 0.07 0.03 0.21 0.00 0.09 0.00 0.00 57.88 58.28 3pfl h LEU 580 Cb 0.75 0.16 -0.13 0.00 0.09 0.00 0.00 40.66 41.52 3pfl h LEU 580 CO 0.06 -0.34 0.26 0.58 0.09 0.00 0.00 178.44 179.09 3pfl h VAL 581 N -0.54 0.42 -0.06 1.22 2.07 -1.35 -0.70 116.25 117.33 3pfl h VAL 581 Ca -0.04 -0.10 -0.01 0.00 0.82 0.00 0.00 66.70 67.38 3pfl h VAL 581 Cb 0.44 0.11 -0.00 0.00 -1.52 0.00 0.00 31.29 30.32 3pfl h VAL 581 CO 0.04 0.05 0.01 -0.33 0.02 0.00 0.00 177.57 177.36 3pfl h GLU 582 N 0.28 0.09 0.10 1.57 5.08 -0.99 -2.88 114.58 117.84 3pfl h GLU 582 Ca 0.51 -0.02 0.02 0.00 -1.00 0.00 0.00 59.36 58.87 3pfl h GLU 582 Cb 0.96 -0.01 -0.03 0.00 0.50 0.00 0.00 28.75 30.17 3pfl h GLU 582 CO -0.57 0.30 -0.25 0.00 -1.00 0.00 0.00 179.01 177.48 3pfl h ARG 583 N -0.13 -0.43 -0.53 2.33 3.08 0.50 -1.93 114.38 117.26 3pfl h ARG 583 Ca 0.02 0.03 0.05 0.00 0.07 0.00 0.00 59.98 60.15 3pfl h ARG 583 Cb 0.25 0.10 -0.05 0.00 0.08 0.00 0.00 29.97 30.35 3pfl h ARG 583 CO 0.00 -0.29 0.26 0.35 -1.07 0.00 0.00 179.97 179.22 3pfl h PHE 584 N -0.45 0.47 -0.37 3.04 3.57 -1.49 -2.04 116.94 119.66 3pfl h PHE 584 Ca 0.03 0.02 0.04 0.00 3.53 0.00 0.00 57.97 61.59 3pfl h PHE 584 Cb 0.48 -0.13 -0.04 0.00 2.79 0.00 0.00 35.95 39.06 3pfl h PHE 584 CO -0.24 0.21 0.16 1.98 -2.23 0.00 0.00 178.31 178.19 3pfl h MET 585 N 0.49 0.33 0.00 1.11 4.05 -1.26 -0.41 114.93 119.24 3pfl h MET 585 Ca 0.24 -0.02 0.00 0.00 -0.28 0.00 0.00 59.70 59.64 3pfl h MET 585 Cb 0.17 -0.07 0.00 0.00 -0.80 0.00 0.00 31.60 30.90 3pfl h MET 585 CO -0.18 0.22 0.00 0.87 0.23 0.00 0.00 176.91 178.04 3pfl h LYS 586 N 0.34 0.00 0.00 0.39 1.57 -0.89 -1.87 116.57 116.10 3pfl h LYS 586 Ca 0.16 0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 58.93 3pfl h LYS 586 Cb 0.11 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.41 3pfl h LYS 586 CO -0.14 0.00 -0.42 0.87 -0.57 0.00 0.00 179.45 179.19 3pfl h LYS 587 N 0.00 0.00 0.00 3.15 1.57 -0.41 -3.35 116.57 117.53 3pfl h LYS 587 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 3pfl h LYS 587 Cb 0.22 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.53 3pfl h LYS 587 CO 0.00 0.10 0.09 -0.84 -0.57 0.00 0.00 179.45 178.23 3pfl h ILE 588 N -1.00 0.00 0.00 1.86 3.07 -1.30 -1.12 117.51 119.01 3pfl h ILE 588 Ca -0.03 0.00 0.00 0.00 1.55 0.00 0.00 64.86 66.38 3pfl h ILE 588 Cb 0.45 0.91 0.00 0.00 -0.27 0.00 0.00 36.82 37.90 3pfl h ILE 588 CO -0.02 0.00 0.00 -0.61 -1.05 0.00 0.00 178.15 176.47 3pfl h GLN 589 N 0.00 0.00 -0.02 0.16 4.15 -1.47 -3.00 115.11 114.93 3pfl h GLN 589 Ca 0.00 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.42 3pfl h GLN 589 Cb 0.18 0.00 0.00 0.00 0.21 0.00 0.00 27.48 27.87 3pfl h GLN 589 CO 0.00 0.00 -0.08 1.63 -1.93 0.00 0.00 178.83 178.45 3pfl n LYS 590 N -2.86 1.90 -3.60 1.69 5.02 -0.42 -4.97 118.16 114.93 3pfl n LYS 590 Ca 0.00 -1.45 -0.34 0.00 -2.02 0.00 0.00 58.31 54.50 3pfl n LYS 590 Cb 0.25 -1.47 -0.05 0.00 -0.02 0.00 0.00 35.03 33.74 3pfl n LYS 590 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 3pfl s LEU 591 N -2.09 4.33 0.28 -0.35 1.43 -1.14 -5.06 118.68 116.07 3pfl s LEU 591 Ca 0.29 0.75 -0.29 0.00 -1.03 0.00 0.00 54.13 53.85 3pfl s LEU 591 Cb 0.20 -3.04 -0.10 0.00 0.03 0.00 0.00 46.19 43.29 3pfl s LEU 591 CO 0.36 0.15 1.17 -1.00 0.23 0.00 0.00 176.35 177.26 3pfl s HIS 592 N -1.45 3.42 0.12 0.29 3.76 -1.26 -4.97 115.29 115.20 3pfl s HIS 592 Ca 0.34 1.58 0.08 0.00 -0.15 0.00 0.00 55.06 56.92 3pfl s HIS 592 Cb -0.13 -3.41 -0.04 0.00 1.11 0.00 0.00 32.58 30.11 3pfl s HIS 592 CO 0.19 -0.99 -0.19 0.95 -0.85 0.00 0.00 174.74 173.85 3pfl s THR 593 N -0.98 1.68 0.30 1.30 -4.23 -1.26 -4.96 115.64 107.49 3pfl s THR 593 Ca 0.47 -1.66 -0.30 0.00 -1.18 0.00 0.00 61.69 59.02 3pfl s THR 593 Cb -0.34 -1.61 -0.12 0.00 1.34 0.00 0.00 72.50 71.77 3pfl s THR 593 CO 0.43 -0.18 1.52 0.00 -0.54 0.00 0.00 174.62 175.85 3pfl n TYR 594 N 0.81 2.69 -1.85 3.99 9.36 -1.26 -1.76 117.16 129.13 3pfl n TYR 594 Ca -0.17 0.35 -0.11 0.00 3.32 0.00 0.00 57.90 61.28 3pfl n TYR 594 Cb 0.55 -2.54 -0.03 0.00 -0.63 0.00 0.00 39.34 36.69 3pfl n TYR 594 CO 0.00 0.00 0.00 -2.13 0.22 0.00 0.00 176.86 174.95 3pfl n ARG 595 N 1.71 -1.74 -3.75 2.98 0.63 -1.26 -1.94 116.66 113.30 3pfl n ARG 595 Ca 0.08 0.61 -0.26 0.00 -0.92 0.00 0.00 57.85 57.35 3pfl n ARG 595 Cb 0.36 -5.00 0.05 0.00 0.45 0.00 0.00 32.46 28.32 3pfl n ARG 595 CO 0.00 0.00 0.00 -0.25 -2.51 0.00 0.00 177.63 174.87 3pfl n ASP 596 N -0.99 -5.16 -4.72 6.15 8.00 -0.72 -4.93 116.55 114.18 3pfl n ASP 596 Ca -0.12 -0.67 -0.42 0.00 0.71 0.00 0.00 54.79 54.29 3pfl n ASP 596 Cb 0.48 -4.45 -0.03 0.00 -0.02 0.00 0.00 41.12 37.10 3pfl n ASP 596 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3pfl s ALA 597 N -3.33 3.57 -0.31 2.24 0.00 -0.82 -4.91 121.76 118.21 3pfl s ALA 597 Ca 0.56 1.11 -0.29 0.00 0.00 0.00 0.00 51.96 53.35 3pfl s ALA 597 Cb -0.27 -3.52 -0.00 0.00 0.00 0.00 0.00 23.12 19.33 3pfl s ALA 597 CO 0.78 -0.59 1.41 0.42 0.00 0.00 0.00 175.76 177.78 3pfl s ILE 598 N 0.79 3.98 0.23 0.00 1.01 -0.26 -4.33 121.20 122.62 3pfl s ILE 598 Ca 0.62 1.08 -0.31 0.00 0.00 0.00 0.00 60.65 62.04 3pfl s ILE 598 Cb -0.37 -4.05 -0.13 0.00 0.01 0.00 0.00 42.46 37.92 3pfl s ILE 598 CO 0.33 -0.49 1.41 -0.81 0.00 0.00 0.00 174.94 175.38 3pfl n PRO 599 N 7.57 2.01 -4.19 2.79 -0.04 -1.26 -0.48 135.00 141.40 3pfl n PRO 599 Ca 0.16 0.71 -0.12 0.00 -0.04 0.00 0.00 63.50 64.22 3pfl n PRO 599 Cb 0.47 -2.37 -0.10 0.00 -0.04 0.00 0.00 33.50 31.45 3pfl n PRO 599 CO 0.00 0.00 0.00 0.99 -0.04 0.00 0.00 175.50 176.45 3pfl s THR 600 N -0.02 0.47 0.11 0.52 2.01 0.14 -4.78 115.64 114.09 3pfl s THR 600 Ca 0.69 -1.94 0.04 0.00 0.31 0.00 0.00 61.69 60.79 3pfl s THR 600 Cb -0.66 -2.00 -0.04 0.00 0.01 0.00 0.00 72.50 69.81 3pfl s THR 600 CO 0.49 -0.55 -0.11 -1.58 -0.69 0.00 0.00 174.62 172.18 3pfl s GLN 601 N -3.95 0.90 -0.05 4.92 0.74 -1.26 -0.93 119.66 120.03 3pfl s GLN 601 Ca 0.21 -1.20 -0.11 0.00 0.05 0.00 0.00 55.36 54.31 3pfl s GLN 601 Cb 0.07 -0.62 0.02 0.00 1.10 0.00 0.00 33.01 33.57 3pfl s GLN 601 CO 0.01 0.10 0.26 -1.54 -0.55 0.00 0.00 175.29 173.57 3pfl s SER 602 N -2.51 -0.19 -1.02 6.67 1.04 -0.18 0.66 113.70 118.18 3pfl s SER 602 Ca 0.07 0.24 -0.05 0.00 0.48 0.00 0.00 55.95 56.69 3pfl s SER 602 Cb -0.03 0.40 0.27 0.00 0.10 0.00 0.00 66.02 66.76 3pfl s SER 602 CO 0.01 -0.27 1.07 0.52 0.98 0.00 0.00 173.24 175.55 3pfl n VAL 603 N 2.06 4.13 -4.12 5.02 0.31 -0.07 -1.59 118.33 124.07 3pfl n VAL 603 Ca -0.18 -5.41 -0.15 0.00 -0.01 0.00 0.00 64.34 58.59 3pfl n VAL 603 Cb 0.57 -2.39 -0.12 0.00 -0.91 0.00 0.00 33.84 30.99 3pfl n VAL 603 CO 0.00 0.00 0.00 -0.22 -1.32 0.00 0.00 176.83 175.29 3pfl s LEU 604 N -1.71 2.24 0.00 7.52 2.96 -1.25 -2.15 118.68 126.29 3pfl s LEU 604 Ca 0.31 -0.54 0.00 0.00 -0.22 0.00 0.00 54.13 53.68 3pfl s LEU 604 Cb -0.05 -0.30 0.00 0.00 0.50 0.00 0.00 46.19 46.34 3pfl s LEU 604 CO -0.05 -0.13 0.00 0.35 -1.32 0.00 0.00 176.35 175.19 3pfl n THR 605 N 1.53 0.00 -4.93 3.68 -2.24 -1.26 -4.44 114.28 106.62 3pfl n THR 605 Ca -0.21 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.57 3pfl n THR 605 Cb 0.55 -0.19 0.00 0.00 -2.10 0.00 0.00 70.33 68.59 3pfl n THR 605 CO 0.00 0.00 0.00 -0.38 -0.57 0.00 0.00 175.07 174.12 3pfl n ILE 606 N -0.89 0.00 1.88 2.28 2.08 -1.26 -1.15 119.36 122.29 3pfl n ILE 606 Ca 0.00 0.00 0.00 0.00 0.56 0.00 0.00 62.75 63.31 3pfl n ILE 606 Cb 0.10 0.00 0.00 0.00 -0.75 0.00 0.00 39.64 38.99 3pfl n ILE 606 CO 0.00 0.00 0.00 0.41 0.56 0.00 0.00 176.55 177.52 3pfl n THR 607 N 0.00 0.00 0.33 1.39 -1.04 -0.99 -3.50 114.28 110.48 3pfl n THR 607 Ca 0.00 0.00 0.13 0.00 -2.04 0.00 0.00 64.05 62.14 3pfl n THR 607 Cb 0.00 -0.04 0.56 0.00 -1.82 0.00 0.00 70.33 69.03 3pfl n THR 607 CO 0.00 0.00 0.00 0.28 -0.64 0.00 0.00 175.07 174.71 3pfl h SER 608 N 0.00 0.00 0.61 8.00 0.02 -1.18 -1.12 113.55 119.88 3pfl h SER 608 Ca 0.00 0.00 -0.06 0.00 -0.84 0.00 0.00 61.79 60.89 3pfl h SER 608 Cb 0.02 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 62.55 3pfl h SER 608 CO 0.00 0.00 -0.27 -0.55 -1.14 0.00 0.00 176.83 174.87 3pfl h ASN 609 N 0.00 0.00 0.02 3.07 -1.07 -1.74 -0.39 115.58 115.47 3pfl h ASN 609 Ca 0.00 0.00 -0.18 0.00 0.07 0.00 0.00 56.30 56.19 3pfl h ASN 609 Cb 0.30 0.00 -0.02 0.00 -2.07 0.00 0.00 38.32 36.53 3pfl h ASN 609 CO 0.00 0.27 -0.96 0.58 0.07 0.00 0.00 177.43 177.38 3pfl h VAL 610 N 0.00 1.16 -0.68 6.14 2.07 -1.50 0.11 116.25 123.55 3pfl h VAL 610 Ca -0.00 -2.26 -0.03 0.00 0.82 0.00 0.00 66.70 65.23 3pfl h VAL 610 Cb 0.64 2.61 -0.03 0.00 -1.52 0.00 0.00 31.29 32.99 3pfl h VAL 610 CO 0.03 0.46 0.29 0.58 0.02 0.00 0.00 177.57 178.96 3pfl h VAL 611 N -0.88 1.24 -0.06 2.57 2.07 -1.45 -1.96 116.25 117.78 3pfl h VAL 611 Ca -0.25 -0.72 -0.17 0.00 0.82 0.00 0.00 66.70 66.38 3pfl h VAL 611 Cb 1.30 0.44 -0.01 0.00 -1.52 0.00 0.00 31.29 31.50 3pfl h VAL 611 CO -0.11 0.29 -0.70 1.88 0.02 0.00 0.00 177.57 178.95 3pfl h TYR 612 N 0.96 0.37 -0.01 1.57 0.05 -1.25 -3.16 116.97 115.50 3pfl h TYR 612 Ca 0.23 -0.16 0.00 0.00 0.05 0.00 0.00 58.73 58.85 3pfl h TYR 612 Cb 0.18 -0.06 -0.00 0.00 1.01 0.00 0.00 36.73 37.85 3pfl h TYR 612 CO 0.01 0.89 -0.00 0.78 -1.05 0.00 0.00 178.16 178.78 3pfl h GLY 613 N 1.50 0.01 1.93 3.88 0.00 -1.33 -2.09 103.07 106.97 3pfl h GLY 613 Ca -0.02 0.01 0.00 0.00 0.00 0.00 0.00 47.33 47.31 3pfl h GLY 613 CO 0.11 -0.01 0.00 0.58 0.00 0.00 0.00 176.54 177.23 3pfl n LYS 614 N -5.10 0.04 -0.23 4.80 2.85 -0.77 -2.01 118.16 117.73 3pfl n LYS 614 Ca -0.07 0.21 0.09 0.00 -1.05 0.00 0.00 58.31 57.49 3pfl n LYS 614 Cb 0.04 -1.50 0.21 0.00 -0.65 0.00 0.00 35.03 33.13 3pfl n LYS 614 CO 0.00 0.00 0.00 1.63 -0.05 0.00 0.00 177.40 178.98 3pfl n LYS 615 N -1.47 2.57 -5.21 -1.58 5.02 -0.84 -4.43 118.16 112.22 3pfl n LYS 615 Ca 0.04 -2.23 -0.32 0.00 -2.02 0.00 0.00 58.31 53.79 3pfl n LYS 615 Cb 0.18 -1.41 -0.17 0.00 -0.02 0.00 0.00 35.03 33.61 3pfl n LYS 615 CO 0.00 0.00 0.00 0.99 -0.52 0.00 0.00 177.40 177.87 3pfl s THR 616 N -1.08 2.04 0.90 -0.18 2.01 -0.85 -4.84 115.64 113.64 3pfl s THR 616 Ca 0.34 -1.01 -0.15 0.00 0.31 0.00 0.00 61.69 61.17 3pfl s THR 616 Cb 0.18 -1.76 0.22 0.00 0.01 0.00 0.00 72.50 71.14 3pfl s THR 616 CO 0.24 0.56 1.03 0.61 -0.69 0.00 0.00 174.62 176.37 3pfl n GLY 617 N 3.49 -1.98 3.54 4.40 0.00 -1.26 -1.89 105.19 111.49 3pfl n GLY 617 Ca -0.19 -1.61 -0.45 0.00 0.00 0.00 0.00 46.02 43.76 3pfl n GLY 617 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3pfl n ASN 618 N -4.07 0.70 -4.43 1.61 3.02 -1.26 -4.45 115.26 106.38 3pfl n ASN 618 Ca 0.13 1.17 -0.26 0.00 -0.03 0.00 0.00 54.58 55.59 3pfl n ASN 618 Cb 0.48 -1.21 -0.11 0.00 -0.61 0.00 0.00 39.78 38.34 3pfl n ASN 618 CO 0.00 0.00 0.00 0.42 -2.62 0.00 0.00 177.26 175.06 3pfl s THR 619 N -1.02 2.37 0.40 3.41 -4.23 -0.84 -4.73 115.64 111.00 3pfl s THR 619 Ca 0.60 -2.15 0.19 0.00 -1.18 0.00 0.00 61.69 59.15 3pfl s THR 619 Cb -0.76 -2.17 0.40 0.00 1.34 0.00 0.00 72.50 71.30 3pfl s THR 619 CO 0.59 -0.22 1.77 -0.65 -0.54 0.00 0.00 174.62 175.57 3pfl h PRO 620 N 2.90 0.37 0.00 3.99 0.11 -1.89 0.59 132.00 138.07 3pfl h PRO 620 Ca -0.44 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.65 3pfl h PRO 620 Cb 1.22 -0.08 0.00 0.00 0.11 0.00 0.00 31.00 32.25 3pfl h PRO 620 CO 0.52 0.24 0.00 0.38 -0.21 0.00 0.00 178.00 178.93 3pfl h ASP 621 N 0.38 0.00 0.00 -2.05 2.03 -1.83 -3.46 116.42 111.49 3pfl h ASP 621 Ca 0.60 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.90 3pfl h ASP 621 Cb 1.53 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 40.03 3pfl h ASP 621 CO -0.29 0.00 0.00 0.61 -1.03 0.00 0.00 179.24 178.53 3pfl n GLY 622 N -0.81 1.81 3.73 7.15 0.00 0.20 -4.85 105.19 112.43 3pfl n GLY 622 Ca -0.02 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.58 3pfl n GLY 622 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 3pfl n ARG 623 N -0.55 2.77 -1.80 1.61 0.63 -1.25 -4.84 116.66 113.23 3pfl n ARG 623 Ca 0.00 0.99 -0.31 0.00 -0.92 0.00 0.00 57.85 57.62 3pfl n ARG 623 Cb 0.00 -2.82 0.04 0.00 0.45 0.00 0.00 32.46 30.13 3pfl n ARG 623 CO 0.00 0.00 0.00 1.03 -2.51 0.00 0.00 177.63 176.15 3pfl s ARG 624 N 0.39 3.07 0.32 -0.14 1.81 -1.26 -1.99 118.95 121.15 3pfl s ARG 624 Ca 0.70 0.66 -0.29 0.00 -1.72 0.00 0.00 55.73 55.08 3pfl s ARG 624 Cb -0.49 -2.03 -0.11 0.00 -0.45 0.00 0.00 34.95 31.87 3pfl s ARG 624 CO 0.40 -0.93 1.45 0.00 -0.68 0.00 0.00 175.30 175.54 3pfl s ALA 625 N -3.22 3.60 0.00 2.13 0.00 -1.26 -2.55 121.76 120.45 3pfl s ALA 625 Ca 0.57 1.44 0.00 0.00 0.00 0.00 0.00 51.96 53.97 3pfl s ALA 625 Cb -0.12 -3.57 0.00 0.00 0.00 0.00 0.00 23.12 19.43 3pfl s ALA 625 CO 0.53 -0.87 0.00 0.41 0.00 0.00 0.00 175.76 175.83 3pfl n GLY 626 N 1.25 1.60 3.75 0.00 0.00 -0.79 -4.90 105.19 106.09 3pfl n GLY 626 Ca 0.03 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.65 3pfl n GLY 626 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3pfl s ALA 627 N -3.15 3.35 0.55 4.61 0.00 -1.06 -3.48 121.76 122.58 3pfl s ALA 627 Ca 0.00 0.71 -0.21 0.00 0.00 0.00 0.00 51.96 52.46 3pfl s ALA 627 Cb 0.00 -3.27 -0.05 0.00 0.00 0.00 0.00 23.12 19.80 3pfl s ALA 627 CO 0.00 0.02 1.29 -2.14 0.00 0.00 0.00 175.76 174.94 3pfl s PRO 628 N -0.96 3.17 0.59 0.00 0.02 -1.26 -4.32 135.00 132.23 3pfl s PRO 628 Ca 0.44 2.07 -0.08 0.00 0.02 0.00 0.00 61.00 63.44 3pfl s PRO 628 Cb -0.28 -2.19 0.13 0.00 0.02 0.00 0.00 34.50 32.19 3pfl s PRO 628 CO 0.34 -1.12 0.80 1.19 -0.33 0.00 0.00 177.00 177.88 3pfl n PHE 629 N -1.11 -3.82 -3.11 6.54 3.72 0.38 -4.91 117.46 115.16 3pfl n PHE 629 Ca 0.11 -0.81 -0.35 0.00 -0.05 0.00 0.00 57.45 56.35 3pfl n PHE 629 Cb 0.47 -0.61 -0.06 0.00 -0.94 0.00 0.00 39.48 38.33 3pfl n PHE 629 CO 0.00 0.00 0.00 0.20 -0.05 0.00 0.00 176.76 176.91 3pfl s GLY 630 N -4.69 2.53 0.23 1.37 0.00 -1.26 -4.76 107.32 100.73 3pfl s GLY 630 Ca 0.46 0.13 -0.30 0.00 0.00 0.00 0.00 44.72 45.01 3pfl s GLY 630 CO 0.32 0.44 1.50 2.56 0.00 0.00 0.00 173.10 177.92 3pfl s PRO 631 N -2.29 4.23 4.54 2.90 0.04 -1.26 -4.65 135.00 138.50 3pfl s PRO 631 Ca 0.47 2.36 0.00 0.00 0.04 0.00 0.00 61.00 63.87 3pfl s PRO 631 Cb -0.15 -3.11 0.00 0.00 0.04 0.00 0.00 34.50 31.29 3pfl s PRO 631 CO 0.20 -0.50 0.00 0.41 0.04 0.00 0.00 177.00 177.15 3pfl n GLY 632 N 2.59 3.37 1.58 0.56 0.00 -1.26 -0.89 105.19 111.15 3pfl n GLY 632 Ca 0.09 0.19 0.10 0.00 0.00 0.00 0.00 46.02 46.40 3pfl n GLY 632 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3pfl n ALA 633 N 11.41 3.01 -1.77 4.61 0.00 -0.23 -4.53 120.51 133.02 3pfl n ALA 633 Ca 0.00 -1.55 -0.37 0.00 0.00 0.00 0.00 53.44 51.53 3pfl n ALA 633 Cb 0.00 -1.02 0.01 0.00 0.00 0.00 0.00 19.45 18.44 3pfl n ALA 633 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.50 176.70 3pfl s ASN 634 N -0.90 5.82 0.80 0.00 -0.87 -0.07 -4.84 114.94 114.88 3pfl s ASN 634 Ca 0.51 2.37 -0.12 0.00 -1.57 0.00 0.00 52.86 54.05 3pfl s ASN 634 Cb 0.32 -2.60 0.08 0.00 -0.02 0.00 0.00 41.25 39.03 3pfl s ASN 634 CO 0.26 -1.16 1.16 -2.84 -2.57 0.00 0.00 177.10 171.95 3pfl s PRO 635 N -2.91 1.79 0.48 -0.60 0.02 -1.26 -4.54 135.00 127.98 3pfl s PRO 635 Ca 0.68 1.56 -0.24 0.00 0.02 0.00 0.00 61.00 63.02 3pfl s PRO 635 Cb -0.30 -1.81 -0.07 0.00 0.02 0.00 0.00 34.50 32.34 3pfl s PRO 635 CO 0.35 -2.06 1.38 -1.64 -0.33 0.00 0.00 177.00 174.70 3pfl s MET 636 N -4.37 3.52 -0.17 5.54 -1.94 -1.26 -4.72 119.30 115.90 3pfl s MET 636 Ca 0.69 2.29 -0.27 0.00 -1.71 0.00 0.00 55.69 56.69 3pfl s MET 636 Cb -0.24 -2.51 -0.12 0.00 2.01 0.00 0.00 34.83 33.97 3pfl s MET 636 CO 0.51 -0.91 0.83 0.72 -0.01 0.00 0.00 175.02 176.16 3pfl n HIS 637 N -0.48 0.76 -0.60 -0.03 -0.00 -1.26 -1.27 115.22 112.33 3pfl n HIS 637 Ca 0.07 0.68 0.00 0.00 -0.00 0.00 0.00 57.72 58.47 3pfl n HIS 637 Cb 0.43 -1.32 0.00 0.00 -0.00 0.00 0.00 29.99 29.11 3pfl n HIS 637 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.34 176.75 3pfl n GLY 638 N 1.75 0.27 0.19 -1.41 0.00 -1.26 -4.86 105.19 99.87 3pfl n GLY 638 Ca 0.16 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.31 3pfl n GLY 638 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 3pfl h ARG 639 N 0.75 0.00 -5.32 1.61 3.08 -1.51 -3.41 114.38 109.58 3pfl h ARG 639 Ca 0.00 0.00 -0.64 0.00 0.07 0.00 0.00 59.98 59.41 3pfl h ARG 639 Cb 0.00 0.00 -0.15 0.00 0.08 0.00 0.00 29.97 29.90 3pfl h ARG 639 CO 0.00 0.00 0.53 0.16 -1.07 0.00 0.00 179.97 179.59 3pfl s ASP 640 N -5.62 6.22 0.00 7.04 -4.77 -1.26 -4.81 116.67 113.46 3pfl s ASP 640 Ca 0.07 -1.14 0.09 0.00 -3.30 0.00 0.00 52.55 48.27 3pfl s ASP 640 Cb 0.08 -2.40 0.14 0.00 -1.09 0.00 0.00 42.92 39.64 3pfl s ASP 640 CO 0.63 -1.37 0.95 0.00 0.70 0.00 0.00 175.17 176.07 3pfl n GLN 641 N 7.45 1.25 -0.71 2.11 6.02 -1.26 -4.62 117.38 127.62 3pfl n GLN 641 Ca -0.02 -1.39 -0.08 0.00 -0.01 0.00 0.00 57.00 55.51 3pfl n GLN 641 Cb 0.45 -1.19 0.17 0.00 1.02 0.00 0.00 30.24 30.69 3pfl n GLN 641 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 177.06 177.68 3pfl n LYS 642 N 0.45 2.44 0.00 -1.09 5.02 -1.26 -5.03 118.16 118.68 3pfl n LYS 642 Ca 0.07 -1.97 0.00 0.00 -2.02 0.00 0.00 58.31 54.39 3pfl n LYS 642 Cb 0.29 -1.85 0.00 0.00 -0.02 0.00 0.00 35.03 33.46 3pfl n LYS 642 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3pfl n GLY 643 N -0.21 -2.44 0.10 0.72 0.00 -1.26 -4.27 105.19 97.83 3pfl n GLY 643 Ca 0.31 -1.59 -0.04 0.00 0.00 0.00 0.00 46.02 44.70 3pfl n GLY 643 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3pfl h ALA 644 N 0.00 -1.07 -1.15 4.61 0.00 -1.45 -2.95 119.26 117.25 3pfl h ALA 644 Ca 0.00 -0.06 0.43 0.00 0.00 0.00 0.00 54.91 55.28 3pfl h ALA 644 Cb 0.00 0.11 -0.15 0.00 0.00 0.00 0.00 17.79 17.75 3pfl h ALA 644 CO 0.00 -1.05 0.70 0.28 0.00 0.00 0.00 179.25 179.18 3pfl n VAL 645 N -2.71 -0.30 0.17 0.00 0.31 -1.20 -0.90 118.33 113.70 3pfl n VAL 645 Ca -0.03 1.78 -0.07 0.00 -0.01 0.00 0.00 64.34 66.01 3pfl n VAL 645 Cb 0.10 -2.92 -0.03 0.00 -0.91 0.00 0.00 33.84 30.09 3pfl n VAL 645 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3pfl h ALA 646 N 1.65 -0.69 -0.96 3.52 0.00 -1.73 -2.05 119.26 119.01 3pfl h ALA 646 Ca 0.82 -0.10 0.18 0.00 0.00 0.00 0.00 54.91 55.81 3pfl h ALA 646 Cb 2.45 0.17 -0.10 0.00 0.00 0.00 0.00 17.79 20.31 3pfl h ALA 646 CO -0.56 -0.66 0.55 0.66 0.00 0.00 0.00 179.25 179.25 3pfl h SER 647 N -0.70 0.69 -0.66 0.00 4.64 -0.91 0.17 113.55 116.78 3pfl h SER 647 Ca -0.05 0.10 -0.05 0.00 -0.47 0.00 0.00 61.79 61.33 3pfl h SER 647 Cb 0.35 -0.02 -0.03 0.00 -0.31 0.00 0.00 62.40 62.39 3pfl h SER 647 CO 0.08 0.24 0.23 -0.07 -0.87 0.00 0.00 176.83 176.43 3pfl h LEU 648 N 0.70 0.94 -0.80 5.97 3.38 -1.09 -2.28 115.31 122.13 3pfl h LEU 648 Ca 0.55 -0.19 -0.08 0.00 0.09 0.00 0.00 57.88 58.25 3pfl h LEU 648 Cb 0.85 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 41.33 3pfl h LEU 648 CO -0.39 0.88 0.07 0.74 0.09 0.00 0.00 178.44 179.83 3pfl h THR 649 N 0.94 1.25 0.25 0.22 2.02 -0.26 -0.03 112.91 117.30 3pfl h THR 649 Ca 0.21 -1.01 -0.01 0.00 0.77 0.00 0.00 66.41 66.37 3pfl h THR 649 Cb 0.26 0.72 0.00 0.00 -1.74 0.00 0.00 68.15 67.40 3pfl h THR 649 CO -0.01 0.37 -0.12 0.28 0.37 0.00 0.00 175.52 176.41 3pfl h SER 650 N 0.91 -0.29 -0.45 4.18 0.02 -0.93 -2.70 113.55 114.30 3pfl h SER 650 Ca 0.18 -0.07 -0.01 0.00 -0.84 0.00 0.00 61.79 61.05 3pfl h SER 650 Cb 0.44 0.07 -0.02 0.00 0.14 0.00 0.00 62.40 63.03 3pfl h SER 650 CO 0.01 -0.11 0.23 0.58 -1.14 0.00 0.00 176.83 176.40 3pfl h VAL 651 N -0.45 1.18 -0.24 2.27 2.07 -1.30 -2.32 116.25 117.46 3pfl h VAL 651 Ca -0.03 -0.49 0.07 0.00 0.82 0.00 0.00 66.70 67.07 3pfl h VAL 651 Cb 0.34 0.67 -0.01 0.00 -1.52 0.00 0.00 31.29 30.77 3pfl h VAL 651 CO 0.06 0.19 0.22 0.00 0.02 0.00 0.00 177.57 178.06 3pfl h ALA 652 N 1.07 1.98 0.00 1.67 0.00 -0.97 0.17 119.26 123.18 3pfl h ALA 652 Ca 0.16 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 55.03 3pfl h ALA 652 Cb 0.10 0.02 -0.00 0.00 0.00 0.00 0.00 17.79 17.90 3pfl h ALA 652 CO -0.02 -0.34 -0.12 0.87 0.00 0.00 0.00 179.25 179.64 3pfl h LYS 653 N 0.00 0.00 -6.61 0.00 1.57 -1.07 -3.37 116.57 107.09 3pfl h LYS 653 Ca 0.11 0.00 -0.52 0.00 -1.87 0.00 0.00 60.65 58.37 3pfl h LYS 653 Cb 0.55 0.00 0.05 0.00 0.08 0.00 0.00 32.23 32.91 3pfl h LYS 653 CO -0.00 0.12 1.04 -0.51 -0.57 0.00 0.00 179.45 179.53 3pfl s LEU 654 N -6.75 4.38 -0.71 2.94 1.43 0.58 -4.89 118.68 115.67 3pfl s LEU 654 Ca -0.01 2.83 -0.26 0.00 -1.03 0.00 0.00 54.13 55.66 3pfl s LEU 654 Cb 0.11 -3.59 -0.02 0.00 0.03 0.00 0.00 46.19 42.72 3pfl s LEU 654 CO 0.58 -0.98 1.83 -2.16 0.23 0.00 0.00 176.35 175.84 3pfl s PRO 655 N 1.68 2.68 0.64 1.29 0.04 -1.26 -4.87 135.00 135.20 3pfl s PRO 655 Ca 0.77 0.24 0.41 0.00 0.04 0.00 0.00 61.00 62.46 3pfl s PRO 655 Cb -0.48 -4.59 2.23 0.00 0.04 0.00 0.00 34.50 31.70 3pfl s PRO 655 CO 0.33 -2.84 2.32 0.35 0.04 0.00 0.00 177.00 177.20 3pfl h PHE 656 N 13.42 0.00 0.00 0.56 3.57 -1.88 0.62 116.94 133.23 3pfl h PHE 656 Ca -0.15 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.35 3pfl h PHE 656 Cb 1.11 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.85 3pfl h PHE 656 CO 1.11 0.00 0.00 0.00 -2.23 0.00 0.00 178.31 177.19 3pfl n ALA 657 N -2.14 1.56 -0.21 2.41 0.00 -1.26 -2.06 120.51 118.81 3pfl n ALA 657 Ca -0.03 -0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.41 3pfl n ALA 657 Cb 0.09 -1.24 0.00 0.00 0.00 0.00 0.00 19.45 18.30 3pfl n ALA 657 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 3pfl n TYR 658 N -1.70 0.00 -2.89 0.00 4.02 0.17 -4.71 117.16 112.05 3pfl n TYR 658 Ca 0.03 -0.03 -0.17 0.00 -0.01 0.00 0.00 57.90 57.71 3pfl n TYR 658 Cb 0.16 -0.00 -0.01 0.00 -0.02 0.00 0.00 39.34 39.47 3pfl n TYR 658 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 3pfl n ALA 659 N -0.03 3.21 0.23 -0.72 0.00 -0.88 -4.42 120.51 117.91 3pfl n ALA 659 Ca 0.00 -3.59 0.12 0.00 0.00 0.00 0.00 53.44 49.97 3pfl n ALA 659 Cb 0.07 -0.86 0.64 0.00 0.00 0.00 0.00 19.45 19.30 3pfl n ALA 659 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.50 177.28 3pfl h LYS 660 N 2.95 0.00 -0.24 0.00 1.63 -1.18 -0.09 116.57 119.64 3pfl h LYS 660 Ca 0.06 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.86 3pfl h LYS 660 Cb 0.97 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.60 3pfl h LYS 660 CO 0.58 0.00 0.00 -3.47 -3.45 0.00 0.00 179.45 173.11 3pfl n ASP 661 N -2.44 1.87 0.00 4.20 2.03 0.21 -4.62 116.55 117.80 3pfl n ASP 661 Ca -0.02 -1.81 0.00 0.00 0.52 0.00 0.00 54.79 53.49 3pfl n ASP 661 Cb 0.23 -0.16 0.00 0.00 -0.72 0.00 0.00 41.12 40.47 3pfl n ASP 661 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 3pfl n GLY 662 N 1.14 2.72 2.67 0.27 0.00 -0.05 -3.60 105.19 108.35 3pfl n GLY 662 Ca 0.15 -1.82 -0.29 0.00 0.00 0.00 0.00 46.02 44.06 3pfl n GLY 662 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3pfl s ILE 663 N -2.39 0.49 0.22 -0.61 1.01 -1.26 -0.89 121.20 117.78 3pfl s ILE 663 Ca 0.00 -1.01 -0.29 0.00 0.00 0.00 0.00 60.65 59.34 3pfl s ILE 663 Cb 0.00 -1.31 -0.09 0.00 0.01 0.00 0.00 42.46 41.07 3pfl s ILE 663 CO 0.00 -0.60 0.92 -0.55 0.00 0.00 0.00 174.94 174.72 3pfl s SER 664 N 1.82 7.61 -0.22 3.58 0.15 -0.91 -3.78 113.70 121.94 3pfl s SER 664 Ca 0.07 1.90 -0.03 0.00 0.70 0.00 0.00 55.95 58.59 3pfl s SER 664 Cb -0.17 -2.60 0.11 0.00 -1.71 0.00 0.00 66.02 61.66 3pfl s SER 664 CO -0.25 0.15 0.28 -0.47 1.20 0.00 0.00 173.24 174.15 3pfl s TYR 665 N -1.07 -0.49 -0.42 3.44 5.04 -1.26 -1.07 117.35 121.53 3pfl s TYR 665 Ca 0.41 0.40 -0.25 0.00 -2.44 0.00 0.00 57.07 55.19 3pfl s TYR 665 Cb -0.25 -0.24 0.02 0.00 0.35 0.00 0.00 41.96 41.84 3pfl s TYR 665 CO 0.31 -0.67 0.87 0.99 -1.34 0.00 0.00 175.55 175.71 3pfl s THR 666 N 2.41 4.58 -0.24 4.34 2.01 -1.26 -1.28 115.64 126.19 3pfl s THR 666 Ca 0.09 0.84 -0.05 0.00 0.31 0.00 0.00 61.69 62.89 3pfl s THR 666 Cb -0.15 -4.34 -0.00 0.00 0.01 0.00 0.00 72.50 68.01 3pfl s THR 666 CO -0.15 -0.66 -0.01 0.12 -0.69 0.00 0.00 174.62 173.23 3pfl s PHE 667 N 3.48 3.03 -0.09 4.92 5.36 -0.86 -4.94 117.98 128.87 3pfl s PHE 667 Ca 0.35 -0.97 0.04 0.00 -0.96 0.00 0.00 56.93 55.39 3pfl s PHE 667 Cb -0.11 -2.15 -0.01 0.00 -0.34 0.00 0.00 43.02 40.41 3pfl s PHE 667 CO 0.22 -0.56 -0.23 -1.12 -1.46 0.00 0.00 175.22 172.07 3pfl s SER 668 N 1.48 3.18 0.01 6.13 0.01 -1.26 -0.95 113.70 122.30 3pfl s SER 668 Ca 0.04 -0.52 0.01 0.00 1.31 0.00 0.00 55.95 56.80 3pfl s SER 668 Cb -0.15 -1.24 -0.01 0.00 0.21 0.00 0.00 66.02 64.82 3pfl s SER 668 CO -0.01 0.19 -0.05 -0.51 0.41 0.00 0.00 173.24 173.26 3pfl s ILE 669 N 0.17 0.36 0.34 1.44 2.07 0.25 -1.48 121.20 124.34 3pfl s ILE 669 Ca -0.13 -0.55 -0.27 0.00 -1.41 0.00 0.00 60.65 58.28 3pfl s ILE 669 Cb -0.16 -0.37 -0.09 0.00 0.13 0.00 0.00 42.46 41.96 3pfl s ILE 669 CO 0.07 -0.14 1.14 -0.69 -1.91 0.00 0.00 174.94 173.41 3pfl s VAL 670 N -0.68 3.31 0.14 4.00 1.01 -0.93 -1.40 120.40 125.85 3pfl s VAL 670 Ca -0.04 1.21 -0.31 0.00 0.00 0.00 0.00 61.98 62.84 3pfl s VAL 670 Cb -0.05 -3.73 -0.07 0.00 0.00 0.00 0.00 36.38 32.53 3pfl s VAL 670 CO -0.00 0.21 1.56 -0.65 0.00 0.00 0.00 175.10 176.21 3pfl h PRO 671 N 3.23 -0.37 0.00 2.72 0.11 -1.88 -0.78 132.00 135.04 3pfl h PRO 671 Ca -0.48 0.03 -0.00 0.00 0.11 0.00 0.00 66.00 65.66 3pfl h PRO 671 Cb 1.22 0.08 -0.00 0.00 0.11 0.00 0.00 31.00 32.41 3pfl h PRO 671 CO 0.65 -0.25 -0.00 -0.91 -0.21 0.00 0.00 178.00 177.28 3pfl h ASN 672 N -0.38 0.00 0.38 -2.05 2.35 -1.94 -0.34 115.58 113.60 3pfl h ASN 672 Ca 0.10 0.00 -0.03 0.00 -0.55 0.00 0.00 56.30 55.82 3pfl h ASN 672 Cb 0.60 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 38.97 3pfl h ASN 672 CO -0.58 0.00 -0.13 0.00 -1.65 0.00 0.00 177.43 175.07 3pfl h ALA 673 N 2.00 1.30 0.00 -0.83 0.00 -1.37 -2.81 119.26 117.55 3pfl h ALA 673 Ca -0.00 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.79 3pfl h ALA 673 Cb 0.03 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.80 3pfl h ALA 673 CO 0.00 0.17 -1.05 1.28 0.00 0.00 0.00 179.25 179.65 3pfl n LEU 674 N -3.68 0.76 0.00 0.00 4.77 -0.14 -4.49 117.00 114.23 3pfl n LEU 674 Ca -0.02 0.28 0.00 0.00 -0.03 0.00 0.00 56.01 56.24 3pfl n LEU 674 Cb 0.25 -0.07 0.00 0.00 -2.33 0.00 0.00 43.42 41.27 3pfl n LEU 674 CO 0.31 -0.15 0.00 0.61 -1.33 0.00 0.00 177.39 176.83 3pfl n GLY 675 N 1.21 2.67 0.19 -0.72 0.00 -1.06 -3.70 105.19 103.77 3pfl n GLY 675 Ca 0.00 -1.25 0.09 0.00 0.00 0.00 0.00 46.02 44.86 3pfl n GLY 675 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3pfl h LYS 676 N 0.00 0.00 -4.22 1.61 1.57 -1.89 -3.38 116.57 110.26 3pfl h LYS 676 Ca 0.00 0.00 -0.14 0.00 -1.87 0.00 0.00 60.65 58.64 3pfl h LYS 676 Cb 0.00 0.00 -0.15 0.00 0.08 0.00 0.00 32.23 32.16 3pfl h LYS 676 CO 0.00 0.17 -0.58 0.16 -0.57 0.00 0.00 179.45 178.63 3pfl s ASP 677 N -6.28 0.30 0.26 0.86 1.47 -1.26 -5.07 116.67 106.95 3pfl s ASP 677 Ca 0.06 -1.03 -0.03 0.00 1.18 0.00 0.00 52.55 52.73 3pfl s ASP 677 Cb 0.06 0.29 0.41 0.00 -0.34 0.00 0.00 42.92 43.34 3pfl s ASP 677 CO 0.70 -0.71 1.85 0.44 0.68 0.00 0.00 175.17 178.13 3pfl h ASP 678 N 2.89 0.91 -0.87 2.11 3.32 -1.98 -1.28 116.42 121.51 3pfl h ASP 678 Ca -0.34 0.02 0.12 0.00 0.02 0.00 0.00 57.03 56.85 3pfl h ASP 678 Cb 1.19 -0.16 -0.08 0.00 0.22 0.00 0.00 39.33 40.49 3pfl h ASP 678 CO 0.59 0.55 0.50 -0.33 -1.72 0.00 0.00 179.24 178.84 3pfl h GLU 679 N 1.03 0.76 -0.13 3.56 4.39 -1.99 0.84 114.58 123.04 3pfl h GLU 679 Ca 0.42 -0.05 -0.08 0.00 0.34 0.00 0.00 59.36 60.00 3pfl h GLU 679 Cb 0.26 -0.17 0.00 0.00 -0.10 0.00 0.00 28.75 28.74 3pfl h GLU 679 CO -0.20 0.50 -0.23 0.28 -1.16 0.00 0.00 179.01 178.20 3pfl h VAL 680 N 0.79 1.37 -0.03 3.13 2.07 -1.76 -2.42 116.25 119.40 3pfl h VAL 680 Ca 0.44 -1.49 0.02 0.00 0.82 0.00 0.00 66.70 66.49 3pfl h VAL 680 Cb 0.49 2.03 -0.03 0.00 -1.52 0.00 0.00 31.29 32.26 3pfl h VAL 680 CO -0.29 0.44 -0.10 0.03 0.02 0.00 0.00 177.57 177.67 3pfl h ARG 681 N -0.03 -0.14 -0.51 1.57 3.08 -0.08 0.38 114.38 118.65 3pfl h ARG 681 Ca 0.01 0.01 0.09 0.00 0.07 0.00 0.00 59.98 60.16 3pfl h ARG 681 Cb 0.81 0.03 -0.07 0.00 0.08 0.00 0.00 29.97 30.82 3pfl h ARG 681 CO 0.05 -0.10 0.09 0.87 -1.07 0.00 0.00 179.97 179.81 3pfl h LYS 682 N -0.15 0.21 -0.42 0.04 1.57 0.62 0.35 116.57 118.79 3pfl h LYS 682 Ca 0.05 -0.01 -0.10 0.00 -1.87 0.00 0.00 60.65 58.71 3pfl h LYS 682 Cb 0.21 -0.05 -0.01 0.00 0.08 0.00 0.00 32.23 32.46 3pfl h LYS 682 CO -0.12 0.14 -0.13 1.15 -0.57 0.00 0.00 179.45 179.91 3pfl h THR 683 N 0.22 1.28 -0.43 -0.16 2.02 -0.95 -2.15 112.91 112.73 3pfl h THR 683 Ca 0.26 -1.25 -0.14 0.00 0.77 0.00 0.00 66.41 66.05 3pfl h THR 683 Cb 0.36 1.22 -0.01 0.00 -1.74 0.00 0.00 68.15 67.98 3pfl h THR 683 CO -0.35 0.42 -0.27 0.78 0.37 0.00 0.00 175.52 176.48 3pfl h ASN 684 N 0.64 0.97 0.20 4.18 2.35 0.47 -0.76 115.58 123.63 3pfl h ASN 684 Ca 0.10 -0.42 -0.01 0.00 -0.55 0.00 0.00 56.30 55.42 3pfl h ASN 684 Cb 0.68 -0.27 -0.00 0.00 0.05 0.00 0.00 38.32 38.77 3pfl h ASN 684 CO 0.05 1.18 -0.11 0.25 -1.65 0.00 0.00 177.43 177.15 3pfl h LEU 685 N 0.76 -0.28 -0.43 1.61 6.46 -0.32 0.13 115.31 123.24 3pfl h LEU 685 Ca 0.09 0.02 0.07 0.00 -0.12 0.00 0.00 57.88 57.93 3pfl h LEU 685 Cb 0.85 0.08 -0.06 0.00 -0.73 0.00 0.00 40.66 40.80 3pfl h LEU 685 CO 0.07 -0.19 0.08 0.00 -0.62 0.00 0.00 178.44 177.78 3pfl h ALA 686 N 0.50 0.46 -0.52 1.25 0.00 -1.32 -2.02 119.26 117.61 3pfl h ALA 686 Ca -0.02 0.09 0.06 0.00 0.00 0.00 0.00 54.91 55.04 3pfl h ALA 686 Cb 0.25 0.12 -0.05 0.00 0.00 0.00 0.00 17.79 18.11 3pfl h ALA 686 CO 0.02 -0.33 0.23 0.78 0.00 0.00 0.00 179.25 179.96 3pfl h GLY 687 N 0.20 0.72 0.46 0.00 0.00 -0.62 -0.78 103.07 103.06 3pfl h GLY 687 Ca 0.21 -0.14 0.07 0.00 0.00 0.00 0.00 47.33 47.47 3pfl h GLY 687 CO -0.28 0.06 0.12 1.41 0.00 0.00 0.00 176.54 177.85 3pfl h LEU 688 N 0.44 0.07 -0.59 3.11 3.38 -0.09 -2.12 115.31 119.51 3pfl h LEU 688 Ca 0.24 0.07 -0.11 0.00 0.09 0.00 0.00 57.88 58.17 3pfl h LEU 688 Cb 0.21 0.08 -0.02 0.00 0.09 0.00 0.00 40.66 41.03 3pfl h LEU 688 CO -0.21 0.07 -0.11 0.24 0.09 0.00 0.00 178.44 178.52 3pfl h MET 689 N 0.27 1.00 -0.74 1.13 2.86 -0.80 -0.38 114.93 118.27 3pfl h MET 689 Ca 0.23 -0.37 0.01 0.00 -2.06 0.00 0.00 59.70 57.51 3pfl h MET 689 Cb 0.27 -0.07 -0.04 0.00 0.06 0.00 0.00 31.60 31.83 3pfl h MET 689 CO -0.27 1.05 0.49 -0.44 1.06 0.00 0.00 176.91 178.79 3pfl h ASP 690 N 0.89 0.83 0.09 1.22 3.32 -0.76 0.44 116.42 122.46 3pfl h ASP 690 Ca 0.14 -0.02 -0.00 0.00 0.02 0.00 0.00 57.03 57.16 3pfl h ASP 690 Cb 0.67 -0.21 0.00 0.00 0.22 0.00 0.00 39.33 40.02 3pfl h ASP 690 CO 0.05 0.60 -0.04 1.23 -1.72 0.00 0.00 179.24 179.35 3pfl h GLY 691 N 0.98 -0.13 0.68 2.75 0.00 -1.02 0.28 103.07 106.62 3pfl h GLY 691 Ca 0.28 0.05 0.06 0.00 0.00 0.00 0.00 47.33 47.72 3pfl h GLY 691 CO -0.06 -0.05 0.42 -1.82 0.00 0.00 0.00 176.54 175.03 3pfl h TYR 692 N -0.62 0.77 0.00 5.60 3.20 -0.63 -1.91 116.97 123.39 3pfl h TYR 692 Ca -0.01 0.03 0.00 0.00 3.14 0.00 0.00 58.73 61.88 3pfl h TYR 692 Cb 0.50 -0.24 0.00 0.00 1.54 0.00 0.00 36.73 38.53 3pfl h TYR 692 CO 0.08 0.37 -0.30 1.19 -1.64 0.00 0.00 178.16 177.86 3pfl n PHE 693 N -4.74 0.03 -1.36 -3.82 3.72 0.15 -1.40 117.46 110.04 3pfl n PHE 693 Ca 0.10 0.01 -0.62 0.00 -0.05 0.00 0.00 57.45 56.89 3pfl n PHE 693 Cb 0.18 -0.37 -0.12 0.00 -0.94 0.00 0.00 39.48 38.24 3pfl n PHE 693 CO 0.00 0.00 0.00 1.58 -0.05 0.00 0.00 176.76 178.29 3pfl n HIS 694 N -1.53 1.29 -4.14 1.38 -0.00 0.09 -4.58 115.22 107.73 3pfl n HIS 694 Ca 0.06 0.85 -0.35 0.00 -0.00 0.00 0.00 57.72 58.29 3pfl n HIS 694 Cb 0.34 -2.27 -0.13 0.00 -0.00 0.00 0.00 29.99 27.92 3pfl n HIS 694 CO 0.00 0.00 0.00 -1.58 -0.00 0.00 0.00 176.34 174.76 3pfl s HIS 695 N 5.33 2.97 0.15 1.57 5.04 -1.26 -4.24 115.29 124.86 3pfl s HIS 695 Ca 1.17 -0.68 0.01 0.00 -1.54 0.00 0.00 55.06 54.02 3pfl s HIS 695 Cb -1.50 -2.04 -0.04 0.00 0.04 0.00 0.00 32.58 29.03 3pfl s HIS 695 CO 0.69 -0.35 0.01 -2.00 -2.34 0.00 0.00 174.74 170.75 3pfl s GLU 696 N 1.05 1.03 0.48 2.88 2.12 -0.23 -5.00 118.70 121.03 3pfl s GLU 696 Ca 0.01 -1.49 0.22 0.00 0.36 0.00 0.00 54.97 54.07 3pfl s GLU 696 Cb -0.15 -0.14 1.25 0.00 0.26 0.00 0.00 34.13 35.36 3pfl s GLU 696 CO 0.00 -0.15 1.92 0.00 -0.54 0.00 0.00 175.26 176.49 3pfl h ALA 697 N 2.76 2.40 -0.16 6.30 0.00 -1.98 -1.19 119.26 127.39 3pfl h ALA 697 Ca -0.36 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.54 3pfl h ALA 697 Cb 1.20 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.99 3pfl h ALA 697 CO 0.62 -0.62 0.00 -1.13 0.00 0.00 0.00 179.25 178.12 3pfl n SER 698 N -4.41 3.08 -3.41 0.00 3.41 -1.26 -4.82 113.62 106.21 3pfl n SER 698 Ca 0.15 -2.79 -0.23 0.00 -0.26 0.00 0.00 58.87 55.74 3pfl n SER 698 Cb 0.68 -0.41 -0.10 0.00 -0.26 0.00 0.00 64.21 64.13 3pfl n SER 698 CO 0.00 0.00 0.00 -0.63 -0.16 0.00 0.00 175.04 174.25 3pfl s ILE 699 N -2.40 -0.11 0.15 -1.33 -1.09 -0.45 -5.03 121.20 110.94 3pfl s ILE 699 Ca 0.32 -1.33 -0.26 0.00 -2.23 0.00 0.00 60.65 57.14 3pfl s ILE 699 Cb 0.26 -0.87 -0.00 0.00 -1.58 0.00 0.00 42.46 40.26 3pfl s ILE 699 CO 0.07 -0.78 1.59 -0.08 -1.23 0.00 0.00 174.94 174.51 3pfl h GLU 700 N 7.01 -0.35 0.00 2.79 4.81 -1.87 -0.59 114.58 126.39 3pfl h GLU 700 Ca 0.06 0.02 0.00 0.00 -0.13 0.00 0.00 59.36 59.31 3pfl h GLU 700 Cb 1.02 0.08 0.00 0.00 0.63 0.00 0.00 28.75 30.47 3pfl h GLU 700 CO 0.23 -0.23 0.00 0.41 -0.73 0.00 0.00 179.01 178.68 3pfl n GLY 701 N -1.42 0.57 3.83 1.92 0.00 -1.26 -4.56 105.19 104.26 3pfl n GLY 701 Ca -0.01 -1.94 -0.31 0.00 0.00 0.00 0.00 46.02 43.75 3pfl n GLY 701 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3pfl s GLY 702 N -0.74 1.68 -0.15 -0.02 0.00 -0.49 -4.79 107.32 102.81 3pfl s GLY 702 Ca 0.00 0.07 0.00 0.00 0.00 0.00 0.00 44.72 44.80 3pfl s GLY 702 CO 0.00 0.37 -0.14 -0.18 0.00 0.00 0.00 173.10 173.15 3pfl n GLN 703 N -3.03 0.37 -4.08 2.90 0.00 -1.26 -4.47 117.38 107.81 3pfl n GLN 703 Ca 0.07 0.09 -0.07 0.00 -0.00 0.00 0.00 57.00 57.09 3pfl n GLN 703 Cb 0.54 -1.28 -0.10 0.00 0.00 0.00 0.00 30.24 29.39 3pfl n GLN 703 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.06 175.48 3pfl s HIS 704 N -2.30 0.50 -0.30 3.69 5.04 -1.25 -0.81 115.29 119.86 3pfl s HIS 704 Ca -0.21 -1.00 -0.08 0.00 -1.54 0.00 0.00 55.06 52.24 3pfl s HIS 704 Cb 0.06 -0.37 0.15 0.00 0.04 0.00 0.00 32.58 32.45 3pfl s HIS 704 CO 0.34 -0.35 0.64 -1.17 -2.34 0.00 0.00 174.74 171.87 3pfl s LEU 705 N -2.75 -1.20 0.13 8.88 2.96 0.63 -4.41 118.68 122.91 3pfl s LEU 705 Ca 0.04 1.36 -0.22 0.00 -0.22 0.00 0.00 54.13 55.10 3pfl s LEU 705 Cb 0.06 2.25 -0.07 0.00 0.50 0.00 0.00 46.19 48.93 3pfl s LEU 705 CO -0.09 -0.23 0.68 0.20 -1.32 0.00 0.00 176.35 175.59 3pfl s ASN 706 N 2.88 7.21 -0.27 3.68 0.01 -0.40 -0.85 114.94 127.20 3pfl s ASN 706 Ca 0.02 1.45 0.03 0.00 -0.71 0.00 0.00 52.86 53.65 3pfl s ASN 706 Cb -0.13 -2.43 0.06 0.00 0.41 0.00 0.00 41.25 39.17 3pfl s ASN 706 CO -0.19 0.22 -0.09 -0.69 -1.51 0.00 0.00 177.10 174.83 3pfl s VAL 707 N -1.18 2.19 -0.18 1.60 1.01 -1.21 -2.04 120.40 120.59 3pfl s VAL 707 Ca 0.34 -1.71 -0.03 0.00 0.00 0.00 0.00 61.98 60.58 3pfl s VAL 707 Cb -0.21 -2.33 -0.01 0.00 0.00 0.00 0.00 36.38 33.83 3pfl s VAL 707 CO 0.23 -0.09 -0.06 0.20 0.00 0.00 0.00 175.10 175.37 3pfl s ASN 708 N 1.08 4.34 -0.38 3.32 0.01 -0.13 -4.47 114.94 118.70 3pfl s ASN 708 Ca -0.07 -0.31 0.04 0.00 -0.71 0.00 0.00 52.86 51.81 3pfl s ASN 708 Cb -0.20 -1.71 0.11 0.00 0.41 0.00 0.00 41.25 39.85 3pfl s ASN 708 CO -0.05 0.07 0.10 -0.69 -1.51 0.00 0.00 177.10 175.02 3pfl s VAL 709 N 0.92 2.33 0.26 1.60 1.01 -1.25 0.86 120.40 126.12 3pfl s VAL 709 Ca -0.01 -2.57 -0.21 0.00 0.00 0.00 0.00 61.98 59.19 3pfl s VAL 709 Cb -0.15 -2.70 0.04 0.00 0.00 0.00 0.00 36.38 33.58 3pfl s VAL 709 CO 0.01 -0.65 0.83 0.00 0.00 0.00 0.00 175.10 175.29 3pfl s MET 710 N 0.62 1.66 -0.15 2.72 0.23 -0.49 -4.81 119.30 119.08 3pfl s MET 710 Ca 0.12 -0.97 -0.02 0.00 -1.03 0.00 0.00 55.69 53.80 3pfl s MET 710 Cb -0.21 0.53 -0.02 0.00 -1.53 0.00 0.00 34.83 33.61 3pfl s MET 710 CO -0.06 -0.77 -0.08 -0.80 -2.03 0.00 0.00 175.02 171.28 3pfl s ASN 711 N -3.00 4.35 0.43 -1.18 0.02 -1.26 -3.81 114.94 110.50 3pfl s ASN 711 Ca 0.13 -0.26 0.26 0.00 -1.02 0.00 0.00 52.86 51.97 3pfl s ASN 711 Cb -0.04 -1.69 1.29 0.00 0.02 0.00 0.00 41.25 40.83 3pfl s ASN 711 CO 0.06 0.14 1.71 -0.09 0.02 0.00 0.00 177.10 178.94 3pfl h ARG 712 N 6.88 0.21 -0.95 -0.60 2.43 -1.99 0.43 114.38 120.81 3pfl h ARG 712 Ca -0.30 -0.01 0.09 0.00 -0.81 0.00 0.00 59.98 58.95 3pfl h ARG 712 Cb 1.20 -0.05 -0.07 0.00 -0.42 0.00 0.00 29.97 30.63 3pfl h ARG 712 CO 0.59 0.14 0.61 0.93 -1.51 0.00 0.00 179.97 180.73 3pfl h GLU 713 N 0.22 0.99 -0.71 0.20 3.07 -2.00 -1.88 114.58 114.47 3pfl h GLU 713 Ca 0.70 -0.06 -0.04 0.00 -0.50 0.00 0.00 59.36 59.45 3pfl h GLU 713 Cb 2.08 -0.22 -0.03 0.00 -0.84 0.00 0.00 28.75 29.73 3pfl h GLU 713 CO -0.32 0.66 0.27 1.98 -1.40 0.00 0.00 179.01 180.20 3pfl h MET 714 N 1.02 1.05 -0.06 2.33 4.05 -0.54 -1.24 114.93 121.53 3pfl h MET 714 Ca 0.43 -0.18 -0.02 0.00 -0.28 0.00 0.00 59.70 59.65 3pfl h MET 714 Cb 0.31 -0.17 -0.00 0.00 -0.80 0.00 0.00 31.60 30.94 3pfl h MET 714 CO -0.19 0.86 -0.02 -0.07 0.23 0.00 0.00 176.91 177.72 3pfl h LEU 715 N 1.02 0.13 -0.77 3.39 3.38 -1.37 -0.96 115.31 120.14 3pfl h LEU 715 Ca 0.24 -0.39 0.15 0.00 0.09 0.00 0.00 57.88 57.96 3pfl h LEU 715 Cb 0.21 -0.04 -0.10 0.00 0.09 0.00 0.00 40.66 40.82 3pfl h LEU 715 CO -0.02 0.50 0.31 -0.07 0.09 0.00 0.00 178.44 179.24 3pfl h LEU 716 N -0.23 0.28 -0.27 1.67 3.38 -1.14 0.24 115.31 119.24 3pfl h LEU 716 Ca 0.02 0.11 0.00 0.00 0.09 0.00 0.00 57.88 58.10 3pfl h LEU 716 Cb 0.44 0.09 -0.01 0.00 0.09 0.00 0.00 40.66 41.27 3pfl h LEU 716 CO 0.01 0.09 0.18 -0.78 0.09 0.00 0.00 178.44 178.03 3pfl h ASP 717 N 0.44 0.32 -0.58 -0.43 3.58 -1.02 -2.67 116.42 116.06 3pfl h ASP 717 Ca 0.43 -0.01 0.04 0.00 0.42 0.00 0.00 57.03 57.91 3pfl h ASP 717 Cb 0.66 -0.08 -0.05 0.00 1.72 0.00 0.00 39.33 41.58 3pfl h ASP 717 CO -0.42 0.23 0.32 0.00 -2.88 0.00 0.00 179.24 176.50 3pfl h ALA 718 N 1.10 0.75 -0.70 -0.78 0.00 0.74 0.13 119.26 120.49 3pfl h ALA 718 Ca 0.10 0.01 0.11 0.00 0.00 0.00 0.00 54.91 55.12 3pfl h ALA 718 Cb -0.04 -0.12 -0.08 0.00 0.00 0.00 0.00 17.79 17.56 3pfl h ALA 718 CO -0.02 0.01 0.32 0.52 0.00 0.00 0.00 179.25 180.07 3pfl h MET 719 N 0.62 0.51 -0.15 0.00 2.86 -0.43 -1.58 114.93 116.76 3pfl h MET 719 Ca 0.25 -0.03 -0.21 0.00 -2.06 0.00 0.00 59.70 57.65 3pfl h MET 719 Cb 0.11 -0.12 0.01 0.00 0.06 0.00 0.00 31.60 31.66 3pfl h MET 719 CO -0.15 0.34 -0.74 0.93 1.06 0.00 0.00 176.91 178.36 3pfl h GLU 720 N 0.53 0.70 -2.18 1.72 4.39 -1.06 -3.39 114.58 115.29 3pfl h GLU 720 Ca 0.36 -0.55 -0.59 0.00 0.34 0.00 0.00 59.36 58.91 3pfl h GLU 720 Cb 0.44 0.11 -0.42 0.00 -0.10 0.00 0.00 28.75 28.78 3pfl h GLU 720 CO -0.31 1.17 -0.65 0.09 -1.16 0.00 0.00 179.01 178.15 3pfl n ASN 721 N -3.92 3.51 -0.19 1.42 3.02 0.39 -4.97 115.26 114.53 3pfl n ASN 721 Ca -0.06 -3.41 -0.13 0.00 -0.03 0.00 0.00 54.58 50.95 3pfl n ASN 721 Cb 0.72 -0.65 -0.09 0.00 -0.61 0.00 0.00 39.78 39.15 3pfl n ASN 721 CO 0.00 0.00 0.00 -0.65 -2.62 0.00 0.00 177.26 173.99 3pfl h PRO 722 N 3.98 -0.30 0.00 3.52 0.11 -1.52 -0.35 132.00 137.44 3pfl h PRO 722 Ca 0.18 0.02 0.00 0.00 0.11 0.00 0.00 66.00 66.31 3pfl h PRO 722 Cb 0.66 0.07 0.00 0.00 0.11 0.00 0.00 31.00 31.84 3pfl h PRO 722 CO 0.80 -0.20 0.30 0.39 -0.21 0.00 0.00 178.00 179.08 3pfl n GLU 723 N -5.36 0.00 0.05 1.05 -0.58 -1.26 -0.42 120.64 114.12 3pfl n GLU 723 Ca -0.02 0.19 0.11 0.00 -0.42 0.00 0.00 57.16 57.03 3pfl n GLU 723 Cb 0.33 -1.80 0.03 0.00 -0.57 0.00 0.00 31.44 29.43 3pfl n GLU 723 CO 0.00 0.00 0.00 1.17 -0.48 0.00 0.00 177.13 177.82 3pfl n LYS 724 N -1.19 0.38 -3.11 3.49 4.81 -0.14 -4.47 118.16 117.93 3pfl n LYS 724 Ca 0.00 0.02 -0.22 0.00 -0.87 0.00 0.00 58.31 57.24 3pfl n LYS 724 Cb 0.30 -1.65 -0.04 0.00 0.02 0.00 0.00 35.03 33.66 3pfl n LYS 724 CO 0.00 0.00 0.00 0.66 1.17 0.00 0.00 177.40 179.23 3pfl n TYR 725 N -2.15 1.67 -0.26 5.64 4.02 0.44 -4.94 117.16 121.58 3pfl n TYR 725 Ca 0.01 -3.88 0.12 0.00 -0.01 0.00 0.00 57.90 54.15 3pfl n TYR 725 Cb 0.47 -0.45 0.40 0.00 -0.02 0.00 0.00 39.34 39.74 3pfl n TYR 725 CO 0.00 0.00 0.00 -1.35 -1.01 0.00 0.00 176.86 174.50 3pfl h PRO 726 N 3.08 0.63 -0.46 -0.72 0.11 -1.78 -2.42 132.00 130.44 3pfl h PRO 726 Ca 0.11 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 66.18 3pfl h PRO 726 Cb 0.79 -0.14 0.00 0.00 0.11 0.00 0.00 31.00 31.75 3pfl h PRO 726 CO 0.62 0.42 0.00 1.04 -0.21 0.00 0.00 178.00 179.87 3pfl n GLN 727 N -4.55 2.85 -1.66 1.05 6.02 -1.26 -4.93 117.38 114.90 3pfl n GLN 727 Ca 0.17 -2.26 -0.48 0.00 -0.01 0.00 0.00 57.00 54.42 3pfl n GLN 727 Cb 0.48 -1.38 -0.05 0.00 1.02 0.00 0.00 30.24 30.31 3pfl n GLN 727 CO 0.00 0.00 0.00 -0.11 -1.01 0.00 0.00 177.06 175.94 3pfl n LEU 728 N 0.83 2.94 -4.18 1.08 7.94 -0.91 -4.49 117.00 120.21 3pfl n LEU 728 Ca 0.16 1.06 -0.22 0.00 -1.11 0.00 0.00 56.01 55.90 3pfl n LEU 728 Cb 0.50 -1.37 -0.14 0.00 0.53 0.00 0.00 43.42 42.94 3pfl n LEU 728 CO 0.11 -0.35 -0.49 -0.89 -1.11 0.00 0.00 177.39 174.66 3pfl s THR 729 N 1.67 1.32 0.02 1.96 2.01 -1.26 -2.05 115.64 119.31 3pfl s THR 729 Ca 0.84 -1.01 -0.07 0.00 0.31 0.00 0.00 61.69 61.76 3pfl s THR 729 Cb -0.74 -1.16 -0.00 0.00 0.01 0.00 0.00 72.50 70.61 3pfl s THR 729 CO 0.43 0.13 0.13 0.27 -0.69 0.00 0.00 174.62 174.90 3pfl s ILE 730 N -0.75 0.11 -0.01 1.82 -4.36 -0.60 -4.69 121.20 112.72 3pfl s ILE 730 Ca 0.04 -0.88 -0.26 0.00 -0.26 0.00 0.00 60.65 59.29 3pfl s ILE 730 Cb -0.08 -0.68 -0.04 0.00 1.25 0.00 0.00 42.46 42.91 3pfl s ILE 730 CO 0.01 -0.48 0.81 -0.13 0.24 0.00 0.00 174.94 175.38 3pfl s ARG 731 N -2.04 4.50 0.00 0.37 1.81 -1.25 -1.22 118.95 121.13 3pfl s ARG 731 Ca -0.10 1.11 0.00 0.00 -1.72 0.00 0.00 55.73 55.02 3pfl s ARG 731 Cb -0.04 -3.42 0.00 0.00 -0.45 0.00 0.00 34.95 31.03 3pfl s ARG 731 CO -0.02 0.10 0.01 1.33 -0.68 0.00 0.00 175.30 176.04 3pfl n VAL 732 N 3.50 0.00 -0.33 3.52 0.24 -0.80 -4.96 118.33 119.50 3pfl n VAL 732 Ca 0.01 -0.28 0.00 0.00 -2.04 0.00 0.00 64.34 62.03 3pfl n VAL 732 Cb 0.51 1.01 0.00 0.00 -1.47 0.00 0.00 33.84 33.89 3pfl n VAL 732 CO 0.00 0.00 0.00 -0.24 -2.14 0.00 0.00 176.83 174.45 3pfl n SER 733 N -0.54 0.00 0.00 -1.34 2.88 -1.26 -4.89 113.62 108.47 3pfl n SER 733 Ca 0.00 -0.16 0.00 0.00 -1.33 0.00 0.00 58.87 57.38 3pfl n SER 733 Cb 0.00 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.46 3pfl n SER 733 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 3pfl n GLY 734 N 0.00 0.93 3.76 0.46 0.00 -1.26 -4.63 105.19 104.46 3pfl n GLY 734 Ca 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.94 3pfl n GLY 734 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 3pfl s TYR 735 N -1.24 -0.26 0.30 1.61 1.13 -1.26 -4.34 117.35 113.29 3pfl s TYR 735 Ca 0.00 -0.14 0.07 0.00 -1.41 0.00 0.00 57.07 55.59 3pfl s TYR 735 Cb 0.00 0.67 -0.03 0.00 -1.10 0.00 0.00 41.96 41.51 3pfl s TYR 735 CO 0.00 -1.12 0.31 0.00 -2.51 0.00 0.00 175.55 172.23 3pfl s ALA 736 N -3.83 3.87 -0.12 9.51 0.00 -1.26 -1.91 121.76 128.02 3pfl s ALA 736 Ca 0.09 -1.49 -0.18 0.00 0.00 0.00 0.00 51.96 50.38 3pfl s ALA 736 Cb -0.05 -1.39 0.04 0.00 0.00 0.00 0.00 23.12 21.73 3pfl s ALA 736 CO 0.02 0.10 0.47 0.08 0.00 0.00 0.00 175.76 176.43 3pfl s VAL 737 N -2.19 0.01 -0.12 0.00 1.01 -0.36 -4.82 120.40 113.94 3pfl s VAL 737 Ca 0.39 -0.12 -0.30 0.00 0.00 0.00 0.00 61.98 61.96 3pfl s VAL 737 Cb -0.08 -0.70 -0.02 0.00 0.00 0.00 0.00 36.38 35.58 3pfl s VAL 737 CO 0.27 -0.06 1.13 -0.13 0.00 0.00 0.00 175.10 176.31 3pfl s ARG 738 N -0.34 4.33 0.25 2.72 0.52 -1.26 -1.55 118.95 123.62 3pfl s ARG 738 Ca -0.05 1.54 -0.07 0.00 -0.52 0.00 0.00 55.73 56.63 3pfl s ARG 738 Cb -0.03 -3.61 0.45 0.00 0.52 0.00 0.00 34.95 32.28 3pfl s ARG 738 CO 0.03 -0.50 1.62 0.35 0.02 0.00 0.00 175.30 176.82 3pfl h PHE 739 N 7.51 -0.16 0.00 -0.53 3.57 -1.76 0.21 116.94 125.77 3pfl h PHE 739 Ca -0.29 0.06 0.00 0.00 3.53 0.00 0.00 57.97 61.27 3pfl h PHE 739 Cb 1.13 0.20 0.00 0.00 2.79 0.00 0.00 35.95 40.06 3pfl h PHE 739 CO 0.74 -0.29 0.00 0.09 -2.23 0.00 0.00 178.31 176.62 3pfl n ASN 740 N -5.41 0.26 0.00 0.41 3.02 -1.26 -1.93 115.26 110.34 3pfl n ASN 740 Ca 0.14 0.60 0.13 0.00 -0.03 0.00 0.00 54.58 55.42 3pfl n ASN 740 Cb 0.49 -0.64 0.42 0.00 -0.61 0.00 0.00 39.78 39.43 3pfl n ASN 740 CO 0.00 0.00 0.00 -1.54 -2.62 0.00 0.00 177.26 173.10 3pfl n SER 741 N -1.83 0.28 -4.90 6.41 3.41 0.72 -4.70 113.62 113.01 3pfl n SER 741 Ca 0.00 0.09 -0.28 0.00 -0.26 0.00 0.00 58.87 58.42 3pfl n SER 741 Cb 0.07 -0.09 0.03 0.00 -0.26 0.00 0.00 64.21 63.96 3pfl n SER 741 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 3pfl s LEU 742 N -3.01 3.20 0.77 1.04 1.43 -0.81 -4.35 118.68 116.94 3pfl s LEU 742 Ca 0.12 0.90 -0.08 0.00 -1.03 0.00 0.00 54.13 54.04 3pfl s LEU 742 Cb 0.18 -3.75 0.11 0.00 0.03 0.00 0.00 46.19 42.76 3pfl s LEU 742 CO 0.62 -1.06 1.08 0.42 0.23 0.00 0.00 176.35 177.65 3pfl s THR 743 N -3.07 2.18 0.07 5.49 -4.23 -1.26 -4.87 115.64 109.95 3pfl s THR 743 Ca 0.54 -0.27 -0.32 0.00 -1.18 0.00 0.00 61.69 60.46 3pfl s THR 743 Cb -0.11 -2.91 -0.19 0.00 1.34 0.00 0.00 72.50 70.64 3pfl s THR 743 CO 0.47 0.00 1.59 0.50 -0.54 0.00 0.00 174.62 176.65 3pfl h LYS 744 N -0.83 -0.85 -0.67 3.99 1.63 -1.99 -0.49 116.57 117.36 3pfl h LYS 744 Ca -0.43 0.06 0.09 0.00 -0.85 0.00 0.00 60.65 59.52 3pfl h LYS 744 Cb 1.29 0.19 -0.07 0.00 -0.60 0.00 0.00 32.23 33.04 3pfl h LYS 744 CO 0.51 -0.56 0.32 1.49 -3.45 0.00 0.00 179.45 177.77 3pfl h GLU 745 N -0.91 0.54 -0.53 1.90 4.81 -1.98 0.13 114.58 118.53 3pfl h GLU 745 Ca -0.09 -0.03 -0.09 0.00 -0.13 0.00 0.00 59.36 59.02 3pfl h GLU 745 Cb 0.69 -0.12 -0.02 0.00 0.63 0.00 0.00 28.75 29.92 3pfl h GLU 745 CO 0.15 0.36 -0.03 1.96 -0.73 0.00 0.00 179.01 180.72 3pfl h GLN 746 N 0.56 0.93 -0.55 1.92 4.20 -1.92 -1.91 115.11 118.34 3pfl h GLN 746 Ca 0.33 -0.29 -0.07 0.00 0.06 0.00 0.00 58.65 58.68 3pfl h GLN 746 Cb 0.35 -0.09 -0.02 0.00 0.30 0.00 0.00 27.48 28.02 3pfl h GLN 746 CO -0.27 0.94 0.07 1.96 -0.67 0.00 0.00 178.83 180.86 3pfl h GLN 747 N 0.86 0.90 -0.78 1.46 4.20 -0.09 -2.36 115.11 119.29 3pfl h GLN 747 Ca 0.15 -0.23 0.10 0.00 0.06 0.00 0.00 58.65 58.74 3pfl h GLN 747 Cb 0.54 -0.11 -0.08 0.00 0.30 0.00 0.00 27.48 28.13 3pfl h GLN 747 CO 0.03 0.85 0.41 0.37 -0.67 0.00 0.00 178.83 179.82 3pfl h GLN 748 N 0.85 0.66 0.90 1.46 5.75 -0.10 -1.06 115.11 123.56 3pfl h GLN 748 Ca 0.17 -0.04 -0.04 0.00 -0.15 0.00 0.00 58.65 58.59 3pfl h GLN 748 Cb 0.41 -0.15 0.01 0.00 1.07 0.00 0.00 27.48 28.82 3pfl h GLN 748 CO 0.01 0.43 -0.43 0.22 -2.65 0.00 0.00 178.83 176.41 3pfl h ASP 749 N 0.67 -1.02 -0.77 -0.69 3.58 -0.87 -2.99 116.42 114.33 3pfl h ASP 749 Ca 0.39 0.04 0.12 0.00 0.42 0.00 0.00 57.03 57.99 3pfl h ASP 749 Cb 0.42 0.26 -0.13 0.00 1.72 0.00 0.00 39.33 41.61 3pfl h ASP 749 CO -0.28 -0.72 -0.40 0.58 -2.88 0.00 0.00 179.24 175.53 3pfl h VAL 750 N -1.22 0.07 0.00 2.25 2.07 -1.01 -0.14 116.25 118.28 3pfl h VAL 750 Ca -0.12 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.40 3pfl h VAL 750 Cb 0.93 0.07 0.00 0.00 -1.52 0.00 0.00 31.29 30.76 3pfl h VAL 750 CO 0.20 0.00 0.00 0.40 0.02 0.00 0.00 177.57 178.19 3pfl h ILE 751 N -0.11 0.00 -0.01 4.57 2.04 -1.25 -2.28 117.51 120.47 3pfl h ILE 751 Ca 0.26 -0.19 0.00 0.00 1.00 0.00 0.00 64.86 65.92 3pfl h ILE 751 Cb 0.56 1.02 0.00 0.00 -0.74 0.00 0.00 36.82 37.66 3pfl h ILE 751 CO -0.82 0.00 -0.38 0.41 0.00 0.00 0.00 178.15 177.36 3pfl n THR 752 N -2.72 0.00 -1.35 -0.27 -1.04 -0.08 -4.94 114.28 103.87 3pfl n THR 752 Ca -0.01 -0.17 -0.29 0.00 -2.04 0.00 0.00 64.05 61.54 3pfl n THR 752 Cb 0.16 0.77 0.14 0.00 -1.82 0.00 0.00 70.33 69.58 3pfl n THR 752 CO 0.00 0.00 0.00 -0.13 -0.64 0.00 0.00 175.07 174.30 3pfl s ARG 753 N -2.52 1.15 0.09 -2.82 0.52 -0.86 -4.35 118.95 110.16 3pfl s ARG 753 Ca 0.21 0.56 -0.31 0.00 -0.52 0.00 0.00 55.73 55.67 3pfl s ARG 753 Cb 0.19 -1.82 -0.08 0.00 0.52 0.00 0.00 34.95 33.76 3pfl s ARG 753 CO 0.56 -2.25 1.51 0.99 0.02 0.00 0.00 175.30 176.13 3pfl s THR 754 N -3.08 3.15 -0.62 0.02 2.01 -1.26 -4.70 115.64 111.17 3pfl s THR 754 Ca 0.63 0.73 -0.01 0.00 0.31 0.00 0.00 61.69 63.35 3pfl s THR 754 Cb -0.17 -3.47 0.16 0.00 0.01 0.00 0.00 72.50 69.04 3pfl s THR 754 CO 0.56 0.03 0.42 -0.36 -0.69 0.00 0.00 174.62 174.58 3pfl s PHE 755 N 1.79 3.37 -0.14 4.92 0.40 -1.26 -4.46 117.98 122.60 3pfl s PHE 755 Ca 0.68 -2.83 -0.40 0.00 -0.60 0.00 0.00 56.93 53.78 3pfl s PHE 755 Cb -0.38 -3.12 -0.17 0.00 0.51 0.00 0.00 43.02 39.86 3pfl s PHE 755 CO 0.30 -0.81 1.50 2.41 0.70 0.00 0.00 175.22 179.32 3pfl n THR 756 N 3.32 0.12 0.61 0.64 -1.04 -0.55 -4.79 114.28 112.58 3pfl n THR 756 Ca 0.08 -0.02 0.10 0.00 -2.04 0.00 0.00 64.05 62.17 3pfl n THR 756 Cb 0.37 -0.84 -0.14 0.00 -1.82 0.00 0.00 70.33 67.90 3pfl n THR 756 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 3pfl n GLN 757 N 3.68 0.27 -3.93 -2.82 1.13 -1.26 -2.18 117.38 112.27 3pfl n GLN 757 Ca 0.23 -0.08 -0.09 0.00 -1.94 0.00 0.00 57.00 55.13 3pfl n GLN 757 Cb 0.12 -1.51 -0.03 0.00 0.11 0.00 0.00 30.24 28.94 3pfl n GLN 757 CO 0.00 0.00 0.00 -1.54 -1.44 0.00 0.00 177.06 174.08 3pfl s SER 758 N -3.59 -0.02 0.00 1.08 1.04 -1.26 -4.52 113.70 106.43 3pfl s SER 758 Ca 0.02 -0.92 0.27 0.00 0.48 0.00 0.00 55.95 55.80 3pfl s SER 758 Cb 0.15 0.69 0.82 0.00 0.10 0.00 0.00 66.02 67.78 3pfl s SER 758 CO 0.88 -1.32 1.62 0.23 0.98 0.00 0.00 173.24 175.63