#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ske n SER 14 N 0.00 0.00 -3.39 4.38 2.88 -1.26 -4.97 113.62 111.26 2ske n SER 14 Ca 0.00 0.00 -0.40 0.00 -1.33 0.00 0.00 58.87 57.14 2ske n SER 14 Cb 0.00 0.00 0.02 0.00 -0.75 0.00 0.00 64.21 63.48 2ske n SER 14 CO 0.00 0.00 0.00 0.55 -1.23 0.00 0.00 175.04 174.36 2ske n VAL 15 N -1.16 5.27 -0.42 2.46 3.14 -1.26 -4.46 118.33 121.89 2ske n VAL 15 Ca 0.00 -5.22 -0.04 0.00 -2.96 0.00 0.00 64.34 56.12 2ske n VAL 15 Cb 0.00 -1.54 0.22 0.00 -1.06 0.00 0.00 33.84 31.46 2ske n VAL 15 CO 0.00 0.00 0.00 0.54 -6.46 0.00 0.00 176.83 170.91 2ske n ARG 16 N 0.09 2.99 0.00 1.45 1.74 -1.26 -5.01 116.66 116.67 2ske n ARG 16 Ca 0.51 -2.17 0.00 0.00 -0.77 0.00 0.00 57.85 55.42 2ske n ARG 16 Cb 0.27 -1.95 0.00 0.00 -1.02 0.00 0.00 32.46 29.75 2ske n ARG 16 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2ske n GLY 17 N 0.00 -3.63 3.82 -0.13 0.00 -1.26 -1.48 105.19 102.50 2ske n GLY 17 Ca 0.28 -2.01 -0.38 0.00 0.00 0.00 0.00 46.02 43.92 2ske n GLY 17 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2ske s LEU 18 N 0.00 4.49 -1.00 0.99 2.01 -1.26 -4.66 118.68 119.24 2ske s LEU 18 Ca 0.00 1.17 -0.01 0.00 0.01 0.00 0.00 54.13 55.30 2ske s LEU 18 Cb 0.00 -2.90 0.32 0.00 0.01 0.00 0.00 46.19 43.62 2ske s LEU 18 CO 0.00 0.26 1.67 0.00 1.01 0.00 0.00 176.35 179.28 2ske n ALA 19 N 1.58 5.73 -1.27 4.21 0.00 -1.26 -3.91 120.51 125.58 2ske n ALA 19 Ca -0.10 -4.67 -0.36 0.00 0.00 0.00 0.00 53.44 48.31 2ske n ALA 19 Cb 0.51 -2.11 0.07 0.00 0.00 0.00 0.00 19.45 17.93 2ske n ALA 19 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2ske n GLY 20 N 0.28 -1.25 0.10 0.00 0.00 -1.26 -4.86 105.19 98.20 2ske n GLY 20 Ca 0.40 -0.38 -0.13 0.00 0.00 0.00 0.00 46.02 45.92 2ske n GLY 20 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 2ske h VAL 21 N -0.37 1.11 -0.70 1.61 2.07 -2.00 -2.49 116.25 115.49 2ske h VAL 21 Ca -0.46 -0.82 -0.07 0.00 0.82 0.00 0.00 66.70 66.18 2ske h VAL 21 Cb 1.34 1.63 -0.03 0.00 -1.52 0.00 0.00 31.29 32.71 2ske h VAL 21 CO 0.44 0.20 0.18 -0.33 0.02 0.00 0.00 177.57 178.07 2ske h GLU 22 N -0.51 1.10 0.00 1.57 3.07 -2.00 -3.03 114.58 114.78 2ske h GLU 22 Ca -0.01 -0.25 -0.12 0.00 -0.50 0.00 0.00 59.36 58.47 2ske h GLU 22 Cb 0.42 -0.15 -0.02 0.00 -0.84 0.00 0.00 28.75 28.16 2ske h GLU 22 CO 0.02 0.97 -0.57 -0.91 -1.40 0.00 0.00 179.01 177.12 2ske h ASN 23 N 1.05 0.00 0.34 1.42 4.21 -1.95 -1.97 115.58 118.68 2ske h ASN 23 Ca 0.22 0.00 -0.20 0.00 1.21 0.00 0.00 56.30 57.54 2ske h ASN 23 Cb 0.35 0.00 -0.00 0.00 -1.12 0.00 0.00 38.32 37.55 2ske h ASN 23 CO -0.00 0.57 -0.81 0.58 -1.29 0.00 0.00 177.43 176.48 2ske h VAL 24 N 0.00 1.40 -0.33 2.81 2.07 -1.43 -1.47 116.25 119.30 2ske h VAL 24 Ca -0.01 -2.30 -0.17 0.00 0.82 0.00 0.00 66.70 65.05 2ske h VAL 24 Cb 1.23 2.25 -0.00 0.00 -1.52 0.00 0.00 31.29 33.25 2ske h VAL 24 CO 0.07 0.68 -0.47 0.74 0.02 0.00 0.00 177.57 178.62 2ske h THR 25 N 0.23 1.27 -0.23 2.57 2.02 -1.50 -2.37 112.91 114.90 2ske h THR 25 Ca -0.05 -1.64 -0.02 0.00 0.77 0.00 0.00 66.41 65.47 2ske h THR 25 Cb 1.41 1.53 -0.01 0.00 -1.74 0.00 0.00 68.15 69.33 2ske h THR 25 CO 0.14 0.54 0.06 -0.08 0.37 0.00 0.00 175.52 176.54 2ske h GLU 26 N 0.70 0.38 -0.30 6.66 4.57 -1.32 -2.80 114.58 122.46 2ske h GLU 26 Ca 0.04 -0.09 0.05 0.00 -1.18 0.00 0.00 59.36 58.17 2ske h GLU 26 Cb 1.07 -0.05 -0.04 0.00 -0.16 0.00 0.00 28.75 29.57 2ske h GLU 26 CO 0.11 0.49 0.03 -0.07 -1.18 0.00 0.00 179.01 178.38 2ske h LEU 27 N 0.20 -0.06 -0.72 1.64 4.07 -1.22 -2.18 115.31 117.04 2ske h LEU 27 Ca 0.07 0.06 0.05 0.00 0.08 0.00 0.00 57.88 58.15 2ske h LEU 27 Cb 0.28 0.09 -0.05 0.00 1.08 0.00 0.00 40.66 42.06 2ske h LEU 27 CO 0.00 0.01 0.42 0.11 -1.08 0.00 0.00 178.44 177.90 2ske h LYS 28 N 0.13 0.76 -0.04 1.13 1.57 -1.34 0.13 116.57 118.91 2ske h LYS 28 Ca 0.14 -0.05 -0.13 0.00 -1.87 0.00 0.00 60.65 58.75 2ske h LYS 28 Cb 0.17 -0.17 -0.01 0.00 0.08 0.00 0.00 32.23 32.30 2ske h LYS 28 CO -0.22 0.50 -0.55 1.57 -0.57 0.00 0.00 179.45 180.18 2ske h LYS 29 N 0.79 0.12 -0.01 3.15 2.10 -1.24 -2.07 116.57 119.40 2ske h LYS 29 Ca 0.31 -0.08 -0.14 0.00 -2.00 0.00 0.00 60.65 58.74 2ske h LYS 29 Cb 0.15 0.01 -0.02 0.00 -0.90 0.00 0.00 32.23 31.47 2ske h LYS 29 CO -0.17 0.65 -0.67 -0.91 -2.00 0.00 0.00 179.45 176.35 2ske h ASN 30 N 0.09 0.06 -0.46 7.07 2.35 -0.75 0.10 115.58 124.05 2ske h ASN 30 Ca -0.00 -0.04 -0.03 0.00 -0.55 0.00 0.00 56.30 55.68 2ske h ASN 30 Cb 1.01 -0.02 -0.02 0.00 0.05 0.00 0.00 38.32 39.34 2ske h ASN 30 CO 0.08 0.71 0.17 0.15 -1.65 0.00 0.00 177.43 176.88 2ske h PHE 31 N 0.03 0.71 -0.18 1.19 3.04 -0.39 -2.15 116.94 119.20 2ske h PHE 31 Ca -0.01 -0.06 -0.14 0.00 3.98 0.00 0.00 57.97 61.74 2ske h PHE 31 Cb 1.18 -0.21 -0.01 0.00 2.56 0.00 0.00 35.95 39.47 2ske h PHE 31 CO 0.01 0.62 -0.49 -0.91 -2.02 0.00 0.00 178.31 175.52 2ske h ASN 32 N 0.60 0.53 0.46 0.41 2.35 -1.14 -1.86 115.58 116.93 2ske h ASN 32 Ca 0.15 -0.26 -0.01 0.00 -0.55 0.00 0.00 56.30 55.62 2ske h ASN 32 Cb 0.22 -0.15 -0.01 0.00 0.05 0.00 0.00 38.32 38.43 2ske h ASN 32 CO -0.01 0.94 -0.36 -0.09 -1.65 0.00 0.00 177.43 176.26 2ske h ARG 33 N 0.39 -0.78 -0.91 0.81 1.12 -0.73 -1.86 114.38 112.42 2ske h ARG 33 Ca 0.02 0.05 0.04 0.00 -1.11 0.00 0.00 59.98 58.98 2ske h ARG 33 Cb 1.00 0.18 -0.06 0.00 -0.01 0.00 0.00 29.97 31.08 2ske h ARG 33 CO 0.09 -0.52 0.58 0.45 -3.11 0.00 0.00 179.97 177.46 2ske h HIS 34 N -0.81 1.09 -0.39 2.20 3.86 -1.35 0.48 115.15 120.23 2ske h HIS 34 Ca -0.05 0.03 -0.02 0.00 -1.16 0.00 0.00 60.37 59.18 2ske h HIS 34 Cb 0.69 -0.36 -0.02 0.00 1.06 0.00 0.00 27.41 28.78 2ske h HIS 34 CO -0.16 0.62 0.18 1.25 0.86 0.00 0.00 177.93 180.68 2ske h LEU 35 N 1.12 0.48 0.00 2.43 5.85 -1.17 0.23 115.31 124.26 2ske h LEU 35 Ca 0.37 -0.04 0.00 0.00 0.84 0.00 0.00 57.88 59.05 2ske h LEU 35 Cb 0.03 -0.12 0.00 0.00 0.37 0.00 0.00 40.66 40.94 2ske h LEU 35 CO -0.13 0.43 -0.12 -0.74 -0.34 0.00 0.00 178.44 177.54 2ske h HIS 36 N 0.55 0.00 -0.09 1.25 2.76 -0.43 -2.00 115.15 117.19 2ske h HIS 36 Ca 0.14 0.00 -0.19 0.00 -2.20 0.00 0.00 60.37 58.12 2ske h HIS 36 Cb 0.08 0.00 -0.00 0.00 1.55 0.00 0.00 27.41 29.04 2ske h HIS 36 CO 0.00 0.00 -0.74 0.74 -1.30 0.00 0.00 177.93 176.64 2ske h PHE 37 N -0.46 0.61 0.08 5.26 0.04 -0.17 -1.76 116.94 120.54 2ske h PHE 37 Ca 0.00 -0.27 -0.33 0.00 2.80 0.00 0.00 57.97 60.17 2ske h PHE 37 Cb 0.12 -0.09 -0.02 0.00 2.20 0.00 0.00 35.95 38.15 2ske h PHE 37 CO -0.05 1.03 -1.83 2.41 -0.60 0.00 0.00 178.31 179.27 2ske n THR 38 N -3.85 1.70 0.42 -1.55 -1.04 -0.20 -4.37 114.28 105.39 2ske n THR 38 Ca -0.05 -0.48 0.11 0.00 -2.04 0.00 0.00 64.05 61.60 2ske n THR 38 Cb 0.71 -1.81 0.03 0.00 -1.82 0.00 0.00 70.33 67.44 2ske n THR 38 CO 0.00 0.00 0.00 0.18 -0.64 0.00 0.00 175.07 174.61 2ske n LEU 39 N -3.75 0.63 -3.58 -4.42 4.32 0.64 -4.99 117.00 105.85 2ske n LEU 39 Ca -0.33 0.11 -0.24 0.00 -0.02 0.00 0.00 56.01 55.52 2ske n LEU 39 Cb 0.94 -0.10 0.05 0.00 -1.62 0.00 0.00 43.42 42.69 2ske n LEU 39 CO 0.35 -0.03 -0.05 0.52 -1.22 0.00 0.00 177.39 176.96 2ske n VAL 40 N -2.17 -6.25 -4.34 4.08 0.31 -0.66 -4.99 118.33 104.30 2ske n VAL 40 Ca 0.01 -0.92 -0.17 0.00 -0.01 0.00 0.00 64.34 63.24 2ske n VAL 40 Cb 0.47 -4.70 -0.10 0.00 -0.91 0.00 0.00 33.84 28.60 2ske n VAL 40 CO 0.00 0.00 0.00 -0.54 -1.32 0.00 0.00 176.83 174.97 2ske s LYS 41 N -5.60 1.46 -0.02 5.55 -0.14 -0.76 -5.03 119.74 115.19 2ske s LYS 41 Ca 0.33 -1.79 0.03 0.00 -1.36 0.00 0.00 55.97 53.18 2ske s LYS 41 Cb -0.09 -0.39 -0.00 0.00 -1.68 0.00 0.00 37.83 35.67 2ske s LYS 41 CO 0.82 -0.27 -0.12 0.16 -0.76 0.00 0.00 175.35 175.17 2ske s ASP 42 N -3.35 1.55 0.26 2.83 -4.77 -1.26 -4.25 116.67 107.68 2ske s ASP 42 Ca 0.37 -0.24 0.22 0.00 -3.30 0.00 0.00 52.55 49.60 2ske s ASP 42 Cb 0.08 -0.34 0.86 0.00 -1.09 0.00 0.00 42.92 42.43 2ske s ASP 42 CO 0.14 0.12 0.83 0.54 0.70 0.00 0.00 175.17 177.50 2ske n ARG 43 N 3.08 -0.01 0.09 2.11 5.12 -1.26 0.19 116.66 125.99 2ske n ARG 43 Ca -0.17 0.62 0.11 0.00 -1.93 0.00 0.00 57.85 56.49 2ske n ARG 43 Cb 0.54 -1.32 0.45 0.00 -1.16 0.00 0.00 32.46 30.97 2ske n ARG 43 CO 0.00 0.00 0.00 0.09 -1.93 0.00 0.00 177.63 175.79 2ske n ASN 44 N -3.38 0.51 0.00 0.55 3.02 -1.26 -3.36 115.26 111.34 2ske n ASN 44 Ca 0.23 0.60 0.00 0.00 -0.03 0.00 0.00 54.58 55.38 2ske n ASN 44 Cb 0.95 -0.72 0.00 0.00 -0.61 0.00 0.00 39.78 39.40 2ske n ASN 44 CO 0.00 0.00 0.00 1.33 -2.62 0.00 0.00 177.26 175.97 2ske n VAL 45 N -2.04 0.22 -2.34 2.41 0.24 0.13 -5.06 118.33 111.89 2ske n VAL 45 Ca 0.03 -0.42 -0.42 0.00 -2.04 0.00 0.00 64.34 61.49 2ske n VAL 45 Cb 0.27 1.13 -0.03 0.00 -1.47 0.00 0.00 33.84 33.74 2ske n VAL 45 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2ske s ALA 46 N -0.22 3.45 0.41 2.33 0.00 -1.15 -4.94 121.76 121.64 2ske s ALA 46 Ca 0.00 0.96 0.08 0.00 0.00 0.00 0.00 51.96 52.99 2ske s ALA 46 Cb 0.00 -3.45 -0.02 0.00 0.00 0.00 0.00 23.12 19.65 2ske s ALA 46 CO 0.00 -0.44 0.37 0.95 0.00 0.00 0.00 175.76 176.64 2ske s THR 47 N 0.49 2.72 0.53 0.00 -4.23 -1.26 -4.97 115.64 108.91 2ske s THR 47 Ca 0.57 -1.34 0.24 0.00 -1.18 0.00 0.00 61.69 59.98 2ske s THR 47 Cb -0.33 -3.01 0.38 0.00 1.34 0.00 0.00 72.50 70.89 2ske s THR 47 CO 0.33 -0.01 2.01 -0.65 -0.54 0.00 0.00 174.62 175.76 2ske h PRO 48 N 1.04 0.00 -0.54 3.99 0.11 -1.99 -0.12 132.00 134.49 2ske h PRO 48 Ca -0.42 -0.00 -0.11 0.00 0.11 0.00 0.00 66.00 65.58 2ske h PRO 48 Cb 1.27 -0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.36 2ske h PRO 48 CO 0.57 0.00 -0.11 -0.09 -0.21 0.00 0.00 178.00 178.17 2ske h ARG 49 N 0.00 1.02 -0.53 1.05 2.43 -1.96 -0.48 114.38 115.91 2ske h ARG 49 Ca 0.23 -0.37 -0.04 0.00 -0.81 0.00 0.00 59.98 58.98 2ske h ARG 49 Cb 0.91 -0.07 -0.02 0.00 -0.42 0.00 0.00 29.97 30.37 2ske h ARG 49 CO -0.00 1.06 0.16 -0.44 -1.51 0.00 0.00 179.97 179.24 2ske h ASP 50 N 0.90 0.78 -0.93 -3.80 3.32 -1.43 -2.01 116.42 113.26 2ske h ASP 50 Ca 0.14 -0.21 -0.01 0.00 0.02 0.00 0.00 57.03 56.98 2ske h ASP 50 Cb 0.67 -0.20 -0.04 0.00 0.22 0.00 0.00 39.33 39.97 2ske h ASP 50 CO 0.05 0.78 0.56 1.88 -1.72 0.00 0.00 179.24 180.79 2ske h TYR 51 N 0.73 1.23 -0.58 4.55 0.05 -1.10 0.03 116.97 121.89 2ske h TYR 51 Ca 0.17 -0.00 -0.02 0.00 0.05 0.00 0.00 58.73 58.92 2ske h TYR 51 Cb 0.28 -0.40 -0.03 0.00 1.01 0.00 0.00 36.73 37.59 2ske h TYR 51 CO 0.02 0.82 0.27 -0.92 -1.05 0.00 0.00 178.16 177.30 2ske h TYR 52 N 1.29 0.85 -0.55 4.88 3.20 -0.78 -2.17 116.97 123.68 2ske h TYR 52 Ca 0.33 -0.04 -0.09 0.00 3.14 0.00 0.00 58.73 62.07 2ske h TYR 52 Cb -0.05 -0.26 -0.02 0.00 1.54 0.00 0.00 36.73 37.94 2ske h TYR 52 CO 0.00 0.65 -0.03 0.74 -1.64 0.00 0.00 178.16 177.89 2ske h PHE 53 N 0.80 1.07 -0.88 -3.82 0.04 -0.61 0.05 116.94 113.59 2ske h PHE 53 Ca 0.20 -0.18 0.00 0.00 2.80 0.00 0.00 57.97 60.79 2ske h PHE 53 Cb 0.13 -0.28 -0.04 0.00 2.20 0.00 0.00 35.95 37.96 2ske h PHE 53 CO 0.00 0.96 0.56 0.00 -0.60 0.00 0.00 178.31 179.24 2ske h ALA 54 N 1.07 1.11 -0.09 2.45 0.00 -0.83 -0.26 119.26 122.71 2ske h ALA 54 Ca 0.16 -0.07 -0.03 0.00 0.00 0.00 0.00 54.91 54.97 2ske h ALA 54 Cb 0.56 -0.35 -0.00 0.00 0.00 0.00 0.00 17.79 17.99 2ske h ALA 54 CO 0.03 0.54 -0.05 1.25 0.00 0.00 0.00 179.25 181.01 2ske h LEU 55 N 1.19 0.19 -0.45 0.00 5.85 -1.08 -2.08 115.31 118.94 2ske h LEU 55 Ca 0.32 -0.44 0.07 0.00 0.84 0.00 0.00 57.88 58.68 2ske h LEU 55 Cb -0.11 -0.05 -0.06 0.00 0.37 0.00 0.00 40.66 40.80 2ske h LEU 55 CO -0.07 0.59 0.08 0.00 -0.34 0.00 0.00 178.44 178.70 2ske h ALA 56 N 0.61 0.49 -0.55 1.25 0.00 -0.69 0.21 119.26 120.58 2ske h ALA 56 Ca 0.02 0.09 -0.05 0.00 0.00 0.00 0.00 54.91 54.98 2ske h ALA 56 Cb 0.52 0.13 -0.03 0.00 0.00 0.00 0.00 17.79 18.41 2ske h ALA 56 CO 0.01 -0.32 0.15 0.45 0.00 0.00 0.00 179.25 179.55 2ske h HIS 57 N 0.21 0.85 -0.40 0.00 3.86 -1.04 0.23 115.15 118.86 2ske h HIS 57 Ca 0.22 -0.07 -0.05 0.00 -1.16 0.00 0.00 60.37 59.31 2ske h HIS 57 Cb 0.29 -0.25 -0.02 0.00 1.06 0.00 0.00 27.41 28.49 2ske h HIS 57 CO -0.22 0.70 0.06 1.15 0.86 0.00 0.00 177.93 180.47 2ske h THR 58 N 0.80 1.24 -0.45 2.45 2.02 -0.49 -2.13 112.91 116.36 2ske h THR 58 Ca 0.18 -0.88 -0.11 0.00 0.77 0.00 0.00 66.41 66.37 2ske h THR 58 Cb 0.26 1.05 -0.01 0.00 -1.74 0.00 0.00 68.15 67.71 2ske h THR 58 CO -0.01 0.30 -0.14 0.58 0.37 0.00 0.00 175.52 176.63 2ske h VAL 59 N 0.51 1.27 -0.06 3.16 2.07 -0.15 -2.84 116.25 120.20 2ske h VAL 59 Ca 0.12 -1.27 0.01 0.00 0.82 0.00 0.00 66.70 66.39 2ske h VAL 59 Cb 0.38 1.15 -0.00 0.00 -1.52 0.00 0.00 31.29 31.30 2ske h VAL 59 CO 0.01 0.43 0.04 -0.09 0.02 0.00 0.00 177.57 177.99 2ske h ARG 60 N 0.73 0.03 -0.51 1.57 2.43 -0.41 -1.78 114.38 116.43 2ske h ARG 60 Ca 0.11 -0.00 -0.02 0.00 -0.81 0.00 0.00 59.98 59.26 2ske h ARG 60 Cb 0.69 -0.01 -0.02 0.00 -0.42 0.00 0.00 29.97 30.21 2ske h ARG 60 CO 0.05 0.02 0.22 -0.44 -1.51 0.00 0.00 179.97 178.30 2ske h ASP 61 N 0.03 0.65 0.95 -3.80 3.32 -1.13 -2.52 116.42 113.92 2ske h ASP 61 Ca 0.03 -0.07 0.00 0.00 0.02 0.00 0.00 57.03 57.01 2ske h ASP 61 Cb 0.08 -0.17 0.00 0.00 0.22 0.00 0.00 39.33 39.46 2ske h ASP 61 CO -0.00 0.58 0.00 0.45 -1.72 0.00 0.00 179.24 178.54 2ske h HIS 62 N 0.72 0.00 -0.12 4.55 3.86 -1.37 -3.21 115.15 119.57 2ske h HIS 62 Ca 0.18 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.39 2ske h HIS 62 Cb 0.12 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.59 2ske h HIS 62 CO 0.01 0.00 0.00 1.47 0.86 0.00 0.00 177.93 180.27 2ske n LEU 63 N -2.86 2.23 0.02 2.43 -0.00 -0.96 -4.45 117.00 113.41 2ske n LEU 63 Ca 0.01 -1.31 -0.15 0.00 -0.00 0.00 0.00 56.01 54.56 2ske n LEU 63 Cb 0.29 -0.07 -0.04 0.00 -0.00 0.00 0.00 43.42 43.60 2ske n LEU 63 CO 0.25 0.48 0.26 -0.37 -0.00 0.00 0.00 177.39 178.01 2ske h VAL 64 N 2.10 1.33 -0.42 1.47 -1.51 -1.54 -0.40 116.25 117.28 2ske h VAL 64 Ca 0.00 -2.13 0.02 0.00 -1.23 0.00 0.00 66.70 63.37 2ske h VAL 64 Cb 0.54 2.13 -0.03 0.00 -2.13 0.00 0.00 31.29 31.80 2ske h VAL 64 CO 0.00 0.65 0.23 1.23 -1.23 0.00 0.00 177.57 178.46 2ske h GLY 65 N 0.86 0.58 1.31 5.19 0.00 -1.78 -0.94 103.07 108.30 2ske h GLY 65 Ca -0.06 -0.17 -0.12 0.00 0.00 0.00 0.00 47.33 46.98 2ske h GLY 65 CO 0.16 0.14 -0.26 3.21 0.00 0.00 0.00 176.54 179.79 2ske h ARG 66 N 0.47 0.79 -0.47 4.80 3.08 -1.78 -2.84 114.38 118.43 2ske h ARG 66 Ca 0.17 -0.34 0.01 0.00 0.07 0.00 0.00 59.98 59.90 2ske h ARG 66 Cb 0.04 -0.03 -0.03 0.00 0.08 0.00 0.00 29.97 30.04 2ske h ARG 66 CO -0.10 0.96 0.29 2.35 -1.07 0.00 0.00 179.97 182.40 2ske h TRP 67 N 0.68 0.55 -0.50 3.04 7.01 -0.52 -0.19 115.95 126.02 2ske h TRP 67 Ca 0.09 0.02 -0.13 0.00 2.11 0.00 0.00 58.89 60.97 2ske h TRP 67 Cb 0.78 -0.18 -0.01 0.00 -2.10 0.00 0.00 29.16 27.64 2ske h TRP 67 CO 0.04 0.33 -0.19 0.82 -2.79 0.00 0.00 178.44 176.66 2ske h ILE 68 N 0.59 1.27 -0.01 2.65 2.04 -1.12 -2.51 117.51 120.42 2ske h ILE 68 Ca 0.18 -1.35 -0.18 0.00 1.00 0.00 0.00 64.86 64.51 2ske h ILE 68 Cb -0.02 1.09 -0.01 0.00 -0.74 0.00 0.00 36.82 37.13 2ske h ILE 68 CO -0.06 0.47 -0.82 0.08 0.00 0.00 0.00 178.15 177.81 2ske h ARG 69 N 0.86 0.16 -0.01 2.37 0.11 -1.38 -1.30 114.38 115.19 2ske h ARG 69 Ca 0.12 -0.16 -0.00 0.00 0.10 0.00 0.00 59.98 60.03 2ske h ARG 69 Cb 0.76 0.04 -0.00 0.00 1.11 0.00 0.00 29.97 31.89 2ske h ARG 69 CO 0.06 0.89 0.01 1.15 0.10 0.00 0.00 179.97 182.18 2ske h THR 70 N 0.09 1.08 -0.40 0.08 2.02 -0.96 0.38 112.91 115.19 2ske h THR 70 Ca -0.03 -0.23 -0.13 0.00 0.77 0.00 0.00 66.41 66.79 2ske h THR 70 Cb 1.43 1.21 -0.01 0.00 -1.74 0.00 0.00 68.15 69.04 2ske h THR 70 CO 0.12 0.06 -0.26 1.56 0.37 0.00 0.00 175.52 177.37 2ske h GLN 71 N -0.08 0.84 -0.61 6.66 1.08 -1.47 -1.93 115.11 119.61 2ske h GLN 71 Ca 0.00 -0.37 -0.07 0.00 -1.45 0.00 0.00 58.65 56.77 2ske h GLN 71 Cb 0.09 -0.02 -0.03 0.00 -0.05 0.00 0.00 27.48 27.47 2ske h GLN 71 CO -0.00 1.00 0.10 0.37 -0.95 0.00 0.00 178.83 179.36 2ske h GLN 72 N 0.72 0.99 0.45 1.46 5.75 -1.09 -2.48 115.11 120.92 2ske h GLN 72 Ca 0.09 -0.25 -0.01 0.00 -0.15 0.00 0.00 58.65 58.33 2ske h GLN 72 Cb 0.80 -0.13 -0.01 0.00 1.07 0.00 0.00 27.48 29.22 2ske h GLN 72 CO 0.07 0.91 -0.32 1.25 -2.65 0.00 0.00 178.83 178.09 2ske h HIS 73 N 0.94 -0.85 -0.18 3.99 2.76 0.15 -1.58 115.15 120.38 2ske h HIS 73 Ca 0.19 -0.00 0.05 0.00 -2.20 0.00 0.00 60.37 58.41 2ske h HIS 73 Cb 0.40 0.31 -0.01 0.00 1.55 0.00 0.00 27.41 29.66 2ske h HIS 73 CO 0.03 -0.48 0.23 1.88 -1.30 0.00 0.00 177.93 178.29 2ske h TYR 74 N -0.75 0.00 0.03 5.26 0.05 -1.24 0.12 116.97 120.44 2ske h TYR 74 Ca -0.05 0.00 -0.24 0.00 0.05 0.00 0.00 58.73 58.49 2ske h TYR 74 Cb 0.64 0.00 0.01 0.00 1.01 0.00 0.00 36.73 38.38 2ske h TYR 74 CO -0.13 0.00 -1.03 -0.92 -1.05 0.00 0.00 178.16 175.03 2ske h TYR 75 N 0.00 0.68 0.16 4.88 3.20 -0.85 -1.18 116.97 123.86 2ske h TYR 75 Ca 0.09 -0.39 -0.01 0.00 3.14 0.00 0.00 58.73 61.56 2ske h TYR 75 Cb 0.54 -0.07 0.00 0.00 1.54 0.00 0.00 36.73 38.75 2ske h TYR 75 CO 0.00 1.23 -0.08 0.93 -1.64 0.00 0.00 178.16 178.60 2ske h GLU 76 N 0.23 -0.21 -0.19 1.82 4.39 0.05 -3.34 114.58 117.32 2ske h GLU 76 Ca -0.10 0.01 -0.11 0.00 0.34 0.00 0.00 59.36 59.50 2ske h GLU 76 Cb 1.68 0.05 -0.01 0.00 -0.10 0.00 0.00 28.75 30.37 2ske h GLU 76 CO 0.18 0.09 -0.36 0.87 -1.16 0.00 0.00 179.01 178.64 2ske h LYS 77 N -0.99 0.41 -5.52 2.33 1.79 -1.19 -3.48 116.57 109.91 2ske h LYS 77 Ca -0.02 -0.18 -0.22 0.00 -2.18 0.00 0.00 60.65 58.05 2ske h LYS 77 Cb 0.39 -0.01 0.15 0.00 -1.58 0.00 0.00 32.23 31.18 2ske h LYS 77 CO 0.04 0.71 -0.70 -3.47 -1.08 0.00 0.00 179.45 174.95 2ske n ASP 78 N -4.06 -6.75 -4.21 0.86 2.03 -0.44 -5.02 116.55 98.95 2ske n ASP 78 Ca -0.01 -0.61 -0.28 0.00 0.52 0.00 0.00 54.79 54.41 2ske n ASP 78 Cb 0.46 -5.03 0.17 0.00 -0.72 0.00 0.00 41.12 36.01 2ske n ASP 78 CO 0.00 0.00 0.00 -2.16 -1.92 0.00 0.00 177.20 173.12 2ske s PRO 79 N -4.26 0.79 0.15 -0.67 0.04 -1.26 -5.00 135.00 124.79 2ske s PRO 79 Ca 0.36 -0.79 -0.31 0.00 0.04 0.00 0.00 61.00 60.31 2ske s PRO 79 Cb -0.06 -2.01 -0.08 0.00 0.04 0.00 0.00 34.50 32.39 2ske s PRO 79 CO 0.75 -2.21 1.33 0.21 0.04 0.00 0.00 177.00 177.12 2ske s LYS 80 N -5.67 4.37 -0.13 4.56 2.20 -1.26 -4.96 119.74 118.85 2ske s LYS 80 Ca 0.73 2.02 -0.14 0.00 -0.36 0.00 0.00 55.97 58.23 2ske s LYS 80 Cb -0.03 -3.24 -0.05 0.00 -1.51 0.00 0.00 37.83 33.01 2ske s LYS 80 CO 0.51 -0.32 0.32 1.03 -0.36 0.00 0.00 175.35 176.52 2ske s ARG 81 N 0.54 4.15 -0.29 4.03 3.00 0.30 -4.54 118.95 126.14 2ske s ARG 81 Ca 0.60 0.17 -0.10 0.00 0.00 0.00 0.00 55.73 56.39 2ske s ARG 81 Cb -0.36 -3.38 -0.03 0.00 0.00 0.00 0.00 34.95 31.18 2ske s ARG 81 CO 0.34 0.34 0.17 0.42 0.00 0.00 0.00 175.30 176.56 2ske s ILE 82 N 0.14 5.01 -0.30 1.52 -1.09 -0.47 -1.45 121.20 124.56 2ske s ILE 82 Ca 0.19 -0.04 -0.06 0.00 -2.23 0.00 0.00 60.65 58.51 2ske s ILE 82 Cb -0.14 -3.43 0.02 0.00 -1.58 0.00 0.00 42.46 37.34 2ske s ILE 82 CO 0.06 0.20 0.06 -0.31 -1.23 0.00 0.00 174.94 173.73 2ske s TYR 83 N 1.71 3.18 -0.56 3.97 2.02 0.14 -0.08 117.35 127.73 2ske s TYR 83 Ca 0.06 -1.26 -0.17 0.00 -0.37 0.00 0.00 57.07 55.33 2ske s TYR 83 Cb -0.16 -2.23 0.11 0.00 -0.40 0.00 0.00 41.96 39.28 2ske s TYR 83 CO 0.09 -0.66 0.59 -0.47 -1.57 0.00 0.00 175.55 173.52 2ske s TYR 84 N 1.43 3.13 -0.20 2.71 5.04 -0.34 -0.63 117.35 128.49 2ske s TYR 84 Ca 0.00 -1.08 -0.20 0.00 -2.44 0.00 0.00 57.07 53.35 2ske s TYR 84 Cb -0.18 -3.84 -0.03 0.00 0.35 0.00 0.00 41.96 38.26 2ske s TYR 84 CO 0.01 -1.13 0.60 -0.51 -1.34 0.00 0.00 175.55 173.18 2ske s LEU 85 N 2.13 4.15 -0.10 6.97 1.02 -0.78 -1.74 118.68 130.32 2ske s LEU 85 Ca 0.07 0.79 -0.15 0.00 0.02 0.00 0.00 54.13 54.86 2ske s LEU 85 Cb -0.27 -2.84 0.04 0.00 0.02 0.00 0.00 46.19 43.14 2ske s LEU 85 CO 0.05 -0.24 0.38 -0.55 0.02 0.00 0.00 176.35 176.01 2ske s SER 86 N 1.18 -0.35 0.00 2.29 0.15 -0.97 -2.05 113.70 113.95 2ske s SER 86 Ca 0.27 0.57 0.29 0.00 0.70 0.00 0.00 55.95 57.78 2ske s SER 86 Cb -0.16 0.64 1.19 0.00 -1.71 0.00 0.00 66.02 65.98 2ske s SER 86 CO 0.10 -0.26 1.83 0.18 1.20 0.00 0.00 173.24 176.29 2ske n LEU 87 N 2.28 0.93 -3.96 3.45 4.32 -1.26 -4.14 117.00 118.61 2ske n LEU 87 Ca -0.16 -0.26 -0.19 0.00 -0.02 0.00 0.00 56.01 55.38 2ske n LEU 87 Cb 0.57 -0.06 -0.15 0.00 -1.62 0.00 0.00 43.42 42.15 2ske n LEU 87 CO 0.17 0.16 -0.42 -1.61 -1.22 0.00 0.00 177.39 174.47 2ske s GLU 88 N -2.19 0.74 -0.33 3.23 2.02 -1.26 -4.66 118.70 116.25 2ske s GLU 88 Ca 0.35 -0.22 -0.00 0.00 0.02 0.00 0.00 54.97 55.12 2ske s GLU 88 Cb 0.21 -0.71 0.13 0.00 0.10 0.00 0.00 34.13 33.86 2ske s GLU 88 CO 0.40 0.07 0.25 -0.06 0.02 0.00 0.00 175.26 175.95 2ske s PHE 89 N 0.24 0.13 -1.29 1.61 0.08 0.66 -4.62 117.98 114.79 2ske s PHE 89 Ca -0.03 -0.96 -0.15 0.00 0.12 0.00 0.00 56.93 55.91 2ske s PHE 89 Cb -0.08 -0.69 0.10 0.00 -0.57 0.00 0.00 43.02 41.79 2ske s PHE 89 CO 0.00 -0.88 1.73 0.98 -0.10 0.00 0.00 175.22 176.94 2ske n TYR 90 N 4.63 4.47 -0.02 0.36 4.19 -0.52 -3.61 117.16 126.66 2ske n TYR 90 Ca 0.05 -3.01 -0.17 0.00 3.31 0.00 0.00 57.90 58.08 2ske n TYR 90 Cb 0.42 -2.44 -0.09 0.00 0.49 0.00 0.00 39.34 37.73 2ske n TYR 90 CO 0.00 0.00 0.00 0.52 0.91 0.00 0.00 176.86 178.29 2ske h MET 91 N 7.08 0.57 0.00 2.98 2.86 -1.80 -3.42 114.93 123.20 2ske h MET 91 Ca 0.42 -0.48 0.00 0.00 -2.06 0.00 0.00 59.70 57.58 2ske h MET 91 Cb 0.82 0.10 0.00 0.00 0.06 0.00 0.00 31.60 32.58 2ske h MET 91 CO 1.47 1.10 0.00 0.41 1.06 0.00 0.00 176.91 180.95 2ske n GLY 92 N 0.75 -1.52 3.81 8.32 0.00 -1.09 -4.85 105.19 110.62 2ske n GLY 92 Ca -0.08 -1.33 -0.32 0.00 0.00 0.00 0.00 46.02 44.29 2ske n GLY 92 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2ske s ARG 93 N 0.00 3.42 0.00 1.61 0.52 -1.26 -2.19 118.95 121.05 2ske s ARG 93 Ca 0.00 1.11 0.00 0.00 -0.52 0.00 0.00 55.73 56.32 2ske s ARG 93 Cb 0.00 -2.05 0.00 0.00 0.52 0.00 0.00 34.95 33.42 2ske s ARG 93 CO 0.00 -0.72 0.43 0.25 0.02 0.00 0.00 175.30 175.28 2ske n THR 94 N -2.08 0.04 0.21 0.02 -2.24 -1.26 -4.73 114.28 104.24 2ske n THR 94 Ca 0.08 -0.43 -0.12 0.00 -2.27 0.00 0.00 64.05 61.31 2ske n THR 94 Cb 0.53 1.16 -0.07 0.00 -2.10 0.00 0.00 70.33 69.85 2ske n THR 94 CO 0.00 0.00 0.00 0.25 -0.57 0.00 0.00 175.07 174.75 2ske h LEU 95 N 0.00 -0.49 -0.40 3.22 5.85 -1.96 -2.50 115.31 119.03 2ske h LEU 95 Ca 0.00 -0.10 -0.02 0.00 0.84 0.00 0.00 57.88 58.60 2ske h LEU 95 Cb 0.12 0.13 -0.02 0.00 0.37 0.00 0.00 40.66 41.25 2ske h LEU 95 CO 0.00 -0.08 0.19 -0.61 -0.34 0.00 0.00 178.44 177.59 2ske h GLN 96 N -0.99 0.58 -0.16 1.25 4.15 -1.96 -1.80 115.11 116.19 2ske h GLN 96 Ca -0.06 -0.09 0.05 0.00 0.77 0.00 0.00 58.65 59.32 2ske h GLN 96 Cb 0.56 -0.10 -0.01 0.00 0.21 0.00 0.00 27.48 28.14 2ske h GLN 96 CO 0.10 0.52 0.12 -0.97 -1.93 0.00 0.00 178.83 176.66 2ske h ASN 97 N 0.51 0.00 0.36 -0.69 -0.73 -1.85 0.34 115.58 113.52 2ske h ASN 97 Ca 0.14 0.00 -0.27 0.00 1.87 0.00 0.00 56.30 58.04 2ske h ASN 97 Cb 0.13 0.00 0.01 0.00 0.27 0.00 0.00 38.32 38.73 2ske h ASN 97 CO -0.02 0.00 -1.14 0.74 -0.37 0.00 0.00 177.43 176.64 2ske h THR 98 N 0.00 1.39 -0.48 -3.57 2.02 -0.96 -2.33 112.91 108.97 2ske h THR 98 Ca 0.07 -2.64 -0.08 0.00 0.77 0.00 0.00 66.41 64.54 2ske h THR 98 Cb 0.31 2.67 -0.02 0.00 -1.74 0.00 0.00 68.15 69.37 2ske h THR 98 CO -0.00 0.79 0.00 0.24 0.37 0.00 0.00 175.52 176.92 2ske h MET 99 N 0.20 0.85 -0.17 6.66 2.86 -0.18 -2.37 114.93 122.77 2ske h MET 99 Ca -0.13 -0.27 -0.00 0.00 -2.06 0.00 0.00 59.70 57.23 2ske h MET 99 Cb 1.81 -0.08 -0.01 0.00 0.06 0.00 0.00 31.60 33.39 2ske h MET 99 CO 0.20 0.89 0.09 0.28 1.06 0.00 0.00 176.91 179.43 2ske h VAL 100 N 0.71 1.11 0.00 -2.22 2.07 -0.42 0.12 116.25 117.62 2ske h VAL 100 Ca 0.14 -0.30 0.00 0.00 0.82 0.00 0.00 66.70 67.35 2ske h VAL 100 Cb 0.51 1.00 0.00 0.00 -1.52 0.00 0.00 31.29 31.28 2ske h VAL 100 CO 0.02 0.10 0.00 0.59 0.02 0.00 0.00 177.57 178.31 2ske n ASN 101 N -4.91 0.13 -0.48 0.57 4.13 -0.88 -2.56 115.26 111.25 2ske n ASN 101 Ca -0.04 0.53 0.06 0.00 1.68 0.00 0.00 54.58 56.80 2ske n ASN 101 Cb 0.08 -0.56 0.06 0.00 -1.54 0.00 0.00 39.78 37.82 2ske n ASN 101 CO 0.00 0.00 0.00 0.18 0.28 0.00 0.00 177.26 177.72 2ske n LEU 102 N -1.64 2.05 -3.46 3.41 4.32 -0.90 -1.03 117.00 119.77 2ske n LEU 102 Ca 0.04 -1.08 -0.20 0.00 -0.02 0.00 0.00 56.01 54.75 2ske n LEU 102 Cb 0.23 -0.02 0.08 0.00 -1.62 0.00 0.00 43.42 42.09 2ske n LEU 102 CO 0.18 0.40 0.18 0.00 -1.22 0.00 0.00 177.39 176.93 2ske n ALA 103 N 0.65 -1.62 0.35 -1.18 0.00 -0.40 -4.91 120.51 113.39 2ske n ALA 103 Ca 0.07 0.17 0.04 0.00 0.00 0.00 0.00 53.44 53.72 2ske n ALA 103 Cb 0.30 -3.93 -0.03 0.00 0.00 0.00 0.00 19.45 15.79 2ske n ALA 103 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 2ske n LEU 104 N -4.50 0.56 -0.18 0.00 4.32 0.29 -4.55 117.00 112.95 2ske n LEU 104 Ca -0.13 -0.58 -0.01 0.00 -0.02 0.00 0.00 56.01 55.27 2ske n LEU 104 Cb 0.61 0.00 0.09 0.00 -1.62 0.00 0.00 43.42 42.50 2ske n LEU 104 CO 0.62 0.13 0.91 -0.08 -1.22 0.00 0.00 177.39 177.74 2ske h GLU 105 N 0.26 0.23 -0.16 3.23 4.81 -1.56 -0.32 114.58 121.07 2ske h GLU 105 Ca 0.00 -0.01 -0.22 0.00 -0.13 0.00 0.00 59.36 58.99 2ske h GLU 105 Cb 0.20 -0.05 0.01 0.00 0.63 0.00 0.00 28.75 29.54 2ske h GLU 105 CO 0.00 0.15 -0.77 -0.91 -0.73 0.00 0.00 179.01 176.75 2ske h ASN 106 N 0.23 0.94 -0.31 1.04 2.35 -1.53 -1.22 115.58 117.09 2ske h ASN 106 Ca 0.29 -0.61 -0.00 0.00 -0.55 0.00 0.00 56.30 55.42 2ske h ASN 106 Cb 0.41 -0.28 -0.01 0.00 0.05 0.00 0.00 38.32 38.49 2ske h ASN 106 CO -0.38 1.41 0.19 0.00 -1.65 0.00 0.00 177.43 177.00 2ske h ALA 107 N 0.57 0.39 -0.35 -0.83 0.00 -1.62 0.16 119.26 117.59 2ske h ALA 107 Ca -0.05 -0.05 -0.10 0.00 0.00 0.00 0.00 54.91 54.72 2ske h ALA 107 Cb 1.39 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 19.04 2ske h ALA 107 CO 0.16 -0.11 -0.19 0.00 0.00 0.00 0.00 179.25 179.11 2ske h ASP 109 N 0.58 0.35 0.53 0.00 1.82 -0.81 -1.43 116.42 117.47 2ske h ASP 109 Ca 0.09 -0.17 -0.03 0.00 -0.39 0.00 0.00 57.03 56.54 2ske h ASP 109 Cb 0.64 -0.09 0.01 0.00 0.68 0.00 0.00 39.33 40.57 2ske h ASP 109 CO 0.05 0.42 -0.26 -0.08 -1.61 0.00 0.00 179.24 177.76 2ske h GLU 110 N 0.26 -0.69 -0.49 0.28 4.57 -0.45 -2.07 114.58 115.99 2ske h GLU 110 Ca 0.08 0.05 0.10 0.00 -1.18 0.00 0.00 59.36 58.41 2ske h GLU 110 Cb 0.18 0.16 -0.08 0.00 -0.16 0.00 0.00 28.75 28.84 2ske h GLU 110 CO -0.01 -0.42 -0.02 0.00 -1.18 0.00 0.00 179.01 177.38 2ske h ALA 111 N -0.36 0.44 -0.02 2.92 0.00 -0.95 -0.27 119.26 121.02 2ske h ALA 111 Ca -0.07 0.15 -0.09 0.00 0.00 0.00 0.00 54.91 54.90 2ske h ALA 111 Cb 0.58 0.27 -0.01 0.00 0.00 0.00 0.00 17.79 18.63 2ske h ALA 111 CO 0.12 -0.40 -0.40 1.79 0.00 0.00 0.00 179.25 180.36 2ske h THR 112 N 0.09 1.30 0.03 0.00 1.35 -1.28 -1.27 112.91 113.13 2ske h THR 112 Ca 0.25 -1.41 -0.00 0.00 -0.55 0.00 0.00 66.41 64.69 2ske h THR 112 Cb 0.37 1.73 0.00 0.00 -1.73 0.00 0.00 68.15 68.53 2ske h THR 112 CO -0.43 0.41 -0.01 0.22 -0.25 0.00 0.00 175.52 175.46 2ske h TYR 113 N 0.04 -0.03 0.00 4.73 3.20 -0.49 0.73 116.97 125.15 2ske h TYR 113 Ca 0.00 -0.00 -0.02 0.00 3.14 0.00 0.00 58.73 61.85 2ske h TYR 113 Cb 0.73 0.01 -0.00 0.00 1.54 0.00 0.00 36.73 39.01 2ske h TYR 113 CO 0.00 0.20 -0.08 1.96 -1.64 0.00 0.00 178.16 178.60 2ske h GLN 114 N -0.26 0.00 0.00 1.82 4.20 -0.83 0.55 115.11 120.59 2ske h GLN 114 Ca -0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 2ske h GLN 114 Cb 0.25 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.03 2ske h GLN 114 CO 0.01 0.08 0.00 1.28 -0.67 0.00 0.00 178.83 179.52 2ske n LEU 115 N -4.37 0.00 -0.27 1.46 4.32 -0.50 -4.88 117.00 112.76 2ske n LEU 115 Ca -0.03 0.00 -0.03 0.00 -0.02 0.00 0.00 56.01 55.94 2ske n LEU 115 Cb 0.16 0.00 -0.00 0.00 -1.62 0.00 0.00 43.42 41.95 2ske n LEU 115 CO 0.34 0.00 -0.03 0.61 -1.22 0.00 0.00 177.39 177.09 2ske n GLY 116 N 0.91 0.33 3.35 -0.72 0.00 0.19 -5.05 105.19 104.21 2ske n GLY 116 Ca 0.21 -0.82 -0.23 0.00 0.00 0.00 0.00 46.02 45.18 2ske n GLY 116 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2ske s LEU 117 N -0.71 2.43 -0.39 0.99 1.43 0.25 -4.98 118.68 117.70 2ske s LEU 117 Ca 0.00 -0.85 -0.15 0.00 -1.03 0.00 0.00 54.13 52.10 2ske s LEU 117 Cb 0.00 -0.91 0.01 0.00 0.03 0.00 0.00 46.19 45.31 2ske s LEU 117 CO 0.00 0.01 0.33 -0.62 0.23 0.00 0.00 176.35 176.30 2ske s ASP 118 N -2.63 6.13 0.22 2.29 -1.08 -1.26 -3.31 116.67 117.03 2ske s ASP 118 Ca 0.16 -0.62 -0.08 0.00 -0.52 0.00 0.00 52.55 51.49 2ske s ASP 118 Cb -0.06 -2.18 0.24 0.00 -1.46 0.00 0.00 42.92 39.46 2ske s ASP 118 CO 0.07 -0.42 1.85 -0.03 0.52 0.00 0.00 175.17 177.17 2ske h MET 119 N 8.59 0.87 -0.68 4.34 1.85 -1.90 -2.25 114.93 125.76 2ske h MET 119 Ca -0.28 -0.05 0.04 0.00 -0.61 0.00 0.00 59.70 58.80 2ske h MET 119 Cb 1.13 -0.20 -0.04 0.00 0.43 0.00 0.00 31.60 32.92 2ske h MET 119 CO 0.72 0.58 0.45 0.93 -0.40 0.00 0.00 176.91 179.18 2ske h GLU 120 N 0.90 0.76 -0.08 0.39 5.08 -2.00 -0.03 114.58 119.60 2ske h GLU 120 Ca 0.31 -0.05 -0.12 0.00 -1.00 0.00 0.00 59.36 58.51 2ske h GLU 120 Cb 0.07 -0.17 -0.01 0.00 0.50 0.00 0.00 28.75 29.14 2ske h GLU 120 CO -0.13 0.50 -0.48 1.49 -1.00 0.00 0.00 179.01 179.39 2ske h GLU 121 N 0.78 0.20 0.04 2.33 4.81 -1.84 -3.06 114.58 117.85 2ske h GLU 121 Ca 0.28 -0.11 -0.24 0.00 -0.13 0.00 0.00 59.36 59.16 2ske h GLU 121 Cb 0.11 0.01 0.00 0.00 0.63 0.00 0.00 28.75 29.50 2ske h GLU 121 CO -0.08 0.64 -1.04 -0.07 -0.73 0.00 0.00 179.01 177.74 2ske h LEU 122 N 0.16 0.51 -1.42 1.64 4.07 -0.97 -3.26 115.31 116.04 2ske h LEU 122 Ca 0.01 -0.45 -0.02 0.00 0.08 0.00 0.00 57.88 57.50 2ske h LEU 122 Cb 0.91 -0.16 -0.02 0.00 1.08 0.00 0.00 40.66 42.47 2ske h LEU 122 CO 0.07 1.27 0.16 -0.33 -1.08 0.00 0.00 178.44 178.53 2ske h GLU 123 N 0.18 0.55 0.00 1.13 5.08 -0.95 -1.69 114.58 118.88 2ske h GLU 123 Ca -0.10 -0.07 0.00 0.00 -1.00 0.00 0.00 59.36 58.19 2ske h GLU 123 Cb 1.70 -0.11 0.00 0.00 0.50 0.00 0.00 28.75 30.84 2ske h GLU 123 CO 0.18 0.46 0.00 0.39 -1.00 0.00 0.00 179.01 179.04 2ske n GLU 124 N -4.38 0.06 0.10 2.33 -0.58 -1.17 -2.58 120.64 114.43 2ske n GLU 124 Ca 0.03 0.36 0.02 0.00 -0.42 0.00 0.00 57.16 57.15 2ske n GLU 124 Cb 0.14 -1.63 -0.01 0.00 -0.57 0.00 0.00 31.44 29.36 2ske n GLU 124 CO 0.00 0.00 0.00 0.82 -0.48 0.00 0.00 177.13 177.47 2ske h ILE 125 N 0.00 0.71 -2.90 -3.67 2.04 -1.44 -3.46 117.51 108.79 2ske h ILE 125 Ca 0.00 -2.09 -0.52 0.00 1.00 0.00 0.00 64.86 63.24 2ske h ILE 125 Cb 0.23 2.26 0.04 0.00 -0.74 0.00 0.00 36.82 38.61 2ske h ILE 125 CO 0.00 0.40 0.85 -0.70 0.00 0.00 0.00 178.15 178.71 2ske s GLU 126 N -2.97 4.23 0.32 2.37 2.12 -1.06 -4.98 118.70 118.73 2ske s GLU 126 Ca 0.02 2.33 -0.27 0.00 0.36 0.00 0.00 54.97 57.41 2ske s GLU 126 Cb 0.08 -3.16 -0.09 0.00 0.26 0.00 0.00 34.13 31.22 2ske s GLU 126 CO 0.77 -0.57 0.99 -2.00 -0.54 0.00 0.00 175.26 173.90 2ske s GLU 127 N 0.97 4.55 0.48 4.30 2.56 -1.26 -4.92 118.70 125.38 2ske s GLU 127 Ca 0.68 1.46 -0.22 0.00 0.00 0.00 0.00 54.97 56.89 2ske s GLU 127 Cb -0.43 -2.87 -0.07 0.00 2.00 0.00 0.00 34.13 32.76 2ske s GLU 127 CO 0.32 0.22 1.16 -0.51 -0.56 0.00 0.00 175.26 175.90 2ske s ASP 128 N -1.44 6.04 -1.07 -1.70 1.11 -1.26 -4.59 116.67 113.76 2ske s ASP 128 Ca 0.50 2.29 -0.12 0.00 0.18 0.00 0.00 52.55 55.39 2ske s ASP 128 Cb -0.22 -2.60 0.22 0.00 1.07 0.00 0.00 42.92 41.39 2ske s ASP 128 CO 0.28 -1.00 1.14 0.00 1.18 0.00 0.00 175.17 176.77 2ske s ALA 129 N -1.59 4.29 -0.35 5.23 0.00 -0.93 -4.88 121.76 123.53 2ske s ALA 129 Ca 0.66 -3.52 -0.05 0.00 0.00 0.00 0.00 51.96 49.05 2ske s ALA 129 Cb -0.28 -3.76 -0.10 0.00 0.00 0.00 0.00 23.12 18.98 2ske s ALA 129 CO 0.33 -2.45 3.18 0.41 0.00 0.00 0.00 175.76 177.23 2ske n GLY 130 N 3.59 3.74 2.00 0.00 0.00 -1.26 -2.59 105.19 110.66 2ske n GLY 130 Ca 0.26 -1.55 -0.15 0.00 0.00 0.00 0.00 46.02 44.58 2ske n GLY 130 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2ske n LEU 131 N 1.87 5.97 -3.55 0.99 4.77 -1.24 -0.72 117.00 125.09 2ske n LEU 131 Ca 0.49 -3.30 -0.11 0.00 -0.03 0.00 0.00 56.01 53.05 2ske n LEU 131 Cb 0.69 -1.20 -0.02 0.00 -2.33 0.00 0.00 43.42 40.56 2ske n LEU 131 CO 0.28 1.43 0.37 -0.83 -1.33 0.00 0.00 177.39 177.31 2ske s GLY 132 N 1.00 -0.43 -0.27 -0.72 0.00 -1.26 -0.25 107.32 105.39 2ske s GLY 132 Ca 0.41 0.22 -0.12 0.00 0.00 0.00 0.00 44.72 45.23 2ske s GLY 132 CO -0.06 0.02 -0.29 0.70 0.00 0.00 0.00 173.10 173.47 2ske n ASN 133 N -0.37 1.96 0.00 1.64 3.02 -1.26 -4.43 115.26 115.81 2ske n ASN 133 Ca -0.14 0.26 0.00 0.00 -0.03 0.00 0.00 54.58 54.67 2ske n ASN 133 Cb 0.64 -0.76 0.00 0.00 -0.61 0.00 0.00 39.78 39.04 2ske n ASN 133 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2ske n GLY 134 N 1.44 1.86 0.23 7.41 0.00 -1.26 -4.95 105.19 109.92 2ske n GLY 134 Ca -0.52 0.26 -0.04 0.00 0.00 0.00 0.00 46.02 45.73 2ske n GLY 134 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 2ske h GLY 135 N 0.00 0.26 0.94 -0.02 0.00 -1.99 -1.53 103.07 100.74 2ske h GLY 135 Ca 0.00 0.21 -0.02 0.00 0.00 0.00 0.00 47.33 47.52 2ske h GLY 135 CO 0.00 -0.20 0.16 -2.00 0.00 0.00 0.00 176.54 174.50 2ske h LEU 136 N -0.05 0.51 -0.56 3.11 6.46 -1.99 -1.06 115.31 121.73 2ske h LEU 136 Ca 0.23 -0.15 -0.12 0.00 -0.12 0.00 0.00 57.88 57.72 2ske h LEU 136 Cb 0.41 -0.13 -0.02 0.00 -0.73 0.00 0.00 40.66 40.19 2ske h LEU 136 CO -0.52 0.52 -0.12 1.23 -0.62 0.00 0.00 178.44 178.92 2ske h GLY 137 N 0.46 1.11 1.88 3.75 0.00 -1.76 -2.89 103.07 105.63 2ske h GLY 137 Ca 0.13 -0.91 -0.12 0.00 0.00 0.00 0.00 47.33 46.43 2ske h GLY 137 CO -0.01 0.83 -0.50 -0.09 0.00 0.00 0.00 176.54 176.76 2ske h ARG 138 N 0.91 0.13 -0.35 4.80 1.12 -1.20 -1.33 114.38 118.45 2ske h ARG 138 Ca 0.14 -0.07 -0.01 0.00 -1.11 0.00 0.00 59.98 58.93 2ske h ARG 138 Cb 0.69 0.00 -0.02 0.00 -0.01 0.00 0.00 29.97 30.64 2ske h ARG 138 CO 0.05 0.60 0.18 1.25 -3.11 0.00 0.00 179.97 178.95 2ske h LEU 139 N 0.10 0.44 -1.04 3.80 5.85 -1.04 -1.23 115.31 122.20 2ske h LEU 139 Ca 0.00 -0.10 0.08 0.00 0.84 0.00 0.00 57.88 58.70 2ske h LEU 139 Cb 0.93 -0.11 -0.07 0.00 0.37 0.00 0.00 40.66 41.78 2ske h LEU 139 CO 0.07 0.42 0.64 0.00 -0.34 0.00 0.00 178.44 179.22 2ske h ALA 140 N 1.04 1.46 -0.28 1.25 0.00 -1.33 0.20 119.26 121.60 2ske h ALA 140 Ca 0.12 -0.01 -0.08 0.00 0.00 0.00 0.00 54.91 54.94 2ske h ALA 140 Cb 0.08 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.59 2ske h ALA 140 CO -0.02 0.36 -0.13 0.00 0.00 0.00 0.00 179.25 179.46 2ske h ALA 141 N 1.49 0.40 -0.62 0.00 0.00 -1.23 -1.75 119.26 117.55 2ske h ALA 141 Ca 0.45 -0.32 -0.09 0.00 0.00 0.00 0.00 54.91 54.95 2ske h ALA 141 Cb 0.27 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 17.94 2ske h ALA 141 CO -0.19 0.28 0.05 0.00 0.00 0.00 0.00 179.25 179.38 2ske h PHE 143 N 0.98 0.88 -0.25 0.00 -1.00 -0.55 -1.91 116.94 115.09 2ske h PHE 143 Ca 0.18 -0.03 0.04 0.00 2.81 0.00 0.00 57.97 60.98 2ske h PHE 143 Cb 0.49 -0.28 -0.04 0.00 3.61 0.00 0.00 35.95 39.74 2ske h PHE 143 CO 0.03 0.64 0.01 -0.07 -1.61 0.00 0.00 178.31 177.31 2ske h LEU 144 N 0.86 -0.07 -0.67 1.54 4.07 -1.10 0.36 115.31 120.30 2ske h LEU 144 Ca 0.22 0.05 0.03 0.00 0.08 0.00 0.00 57.88 58.27 2ske h LEU 144 Cb 0.06 0.09 -0.04 0.00 1.08 0.00 0.00 40.66 41.84 2ske h LEU 144 CO -0.03 -0.01 0.41 -0.78 -1.08 0.00 0.00 178.44 176.95 2ske h ASP 145 N 0.09 0.67 -0.22 -0.43 1.82 -1.23 -2.28 116.42 114.84 2ske h ASP 145 Ca 0.12 0.00 -0.16 0.00 -0.39 0.00 0.00 57.03 56.60 2ske h ASP 145 Cb 0.14 -0.14 -0.01 0.00 0.68 0.00 0.00 39.33 40.01 2ske h ASP 145 CO -0.19 0.46 -0.45 0.28 -1.61 0.00 0.00 179.24 177.73 2ske h SER 146 N 0.80 0.85 -0.37 2.28 0.02 -0.87 -1.76 113.55 114.50 2ske h SER 146 Ca 0.27 -0.41 -0.03 0.00 -0.84 0.00 0.00 61.79 60.78 2ske h SER 146 Cb 0.04 -0.24 -0.02 0.00 0.14 0.00 0.00 62.40 62.31 2ske h SER 146 CO -0.11 1.17 0.14 0.24 -1.14 0.00 0.00 176.83 177.12 2ske h MET 147 N 0.62 0.64 -0.12 3.45 2.86 -0.71 0.13 114.93 121.80 2ske h MET 147 Ca 0.04 -0.10 -0.11 0.00 -2.06 0.00 0.00 59.70 57.47 2ske h MET 147 Cb 1.02 -0.11 0.00 0.00 0.06 0.00 0.00 31.60 32.58 2ske h MET 147 CO 0.10 0.56 -0.35 0.00 1.06 0.00 0.00 176.91 178.28 2ske h ALA 148 N 1.53 0.21 0.00 6.32 0.00 -1.31 -0.34 119.26 125.67 2ske h ALA 148 Ca 0.15 -0.44 -0.03 0.00 0.00 0.00 0.00 54.91 54.59 2ske h ALA 148 Cb 0.19 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 17.95 2ske h ALA 148 CO -0.01 0.27 -0.16 1.15 0.00 0.00 0.00 179.25 180.50 2ske h THR 149 N 0.05 0.97 -0.58 0.00 2.02 -0.95 -1.41 112.91 113.01 2ske h THR 149 Ca -0.01 -0.58 0.00 0.00 0.77 0.00 0.00 66.41 66.59 2ske h THR 149 Cb 0.97 1.33 0.00 0.00 -1.74 0.00 0.00 68.15 68.70 2ske h THR 149 CO 0.08 0.16 0.00 0.18 0.37 0.00 0.00 175.52 176.30 2ske n LEU 150 N -4.14 4.15 -3.80 2.58 4.77 0.42 -4.75 117.00 116.24 2ske n LEU 150 Ca -0.02 -2.09 -0.29 0.00 -0.03 0.00 0.00 56.01 53.57 2ske n LEU 150 Cb 0.24 -0.53 0.03 0.00 -2.33 0.00 0.00 43.42 40.82 2ske n LEU 150 CO 0.34 0.74 0.10 0.61 -1.33 0.00 0.00 177.39 177.85 2ske n GLY 151 N 1.11 -0.50 3.86 -0.72 0.00 -0.53 -1.60 105.19 106.81 2ske n GLY 151 Ca 0.23 0.18 -0.34 0.00 0.00 0.00 0.00 46.02 46.09 2ske n GLY 151 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2ske s LEU 152 N -7.18 4.27 -1.36 0.99 1.43 -0.16 -4.73 118.68 111.95 2ske s LEU 152 Ca 0.62 0.94 -0.15 0.00 -1.03 0.00 0.00 54.13 54.51 2ske s LEU 152 Cb -0.31 -3.37 0.07 0.00 0.03 0.00 0.00 46.19 42.61 2ske s LEU 152 CO 0.76 0.05 1.94 0.00 0.23 0.00 0.00 176.35 179.34 2ske n ALA 153 N 0.44 4.63 -2.62 4.21 0.00 -1.26 -4.69 120.51 121.22 2ske n ALA 153 Ca -0.03 -3.94 -0.31 0.00 0.00 0.00 0.00 53.44 49.16 2ske n ALA 153 Cb 0.52 -3.47 -0.09 0.00 0.00 0.00 0.00 19.45 16.40 2ske n ALA 153 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2ske s ALA 154 N 3.19 3.08 -0.07 0.00 0.00 -1.26 -1.37 121.76 125.33 2ske s ALA 154 Ca 0.49 -1.13 0.02 0.00 0.00 0.00 0.00 51.96 51.34 2ske s ALA 154 Cb 0.08 -1.06 0.01 0.00 0.00 0.00 0.00 23.12 22.15 2ske s ALA 154 CO -0.01 0.65 -0.13 0.71 0.00 0.00 0.00 175.76 176.98 2ske s TYR 155 N -1.17 1.60 -0.10 0.00 1.51 0.88 -4.11 117.35 115.96 2ske s TYR 155 Ca 0.21 -0.63 -0.19 0.00 -1.01 0.00 0.00 57.07 55.45 2ske s TYR 155 Cb -0.11 -1.17 -0.04 0.00 -0.11 0.00 0.00 41.96 40.53 2ske s TYR 155 CO 0.13 -0.32 0.52 0.20 -1.11 0.00 0.00 175.55 174.97 2ske s GLY 156 N 0.72 2.45 -0.10 0.71 0.00 -0.72 -1.20 107.32 109.18 2ske s GLY 156 Ca -0.13 -0.12 0.01 0.00 0.00 0.00 0.00 44.72 44.48 2ske s GLY 156 CO 0.03 0.82 -0.13 -0.19 0.00 0.00 0.00 173.10 173.63 2ske s TYR 157 N 0.55 1.80 0.00 1.90 2.02 -0.71 0.11 117.35 123.01 2ske s TYR 157 Ca 0.28 -0.84 0.00 0.00 -0.37 0.00 0.00 57.07 56.14 2ske s TYR 157 Cb -0.16 -1.34 0.00 0.00 -0.40 0.00 0.00 41.96 40.07 2ske s TYR 157 CO 0.12 -0.46 0.00 0.41 -1.57 0.00 0.00 175.55 174.05 2ske n GLY 158 N 4.32 3.44 3.46 0.71 0.00 -0.93 -2.30 105.19 113.88 2ske n GLY 158 Ca -0.18 -0.77 -0.33 0.00 0.00 0.00 0.00 46.02 44.74 2ske n GLY 158 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2ske s ILE 159 N -2.13 3.17 -0.97 -0.61 1.01 -1.26 -1.58 121.20 118.82 2ske s ILE 159 Ca 0.00 -0.67 -0.16 0.00 0.00 0.00 0.00 60.65 59.82 2ske s ILE 159 Cb 0.00 -2.27 0.16 0.00 0.01 0.00 0.00 42.46 40.36 2ske s ILE 159 CO 0.00 0.57 1.11 -0.60 0.00 0.00 0.00 174.94 176.03 2ske s ARG 160 N -0.44 3.73 0.14 2.79 3.52 -0.22 -4.79 118.95 123.69 2ske s ARG 160 Ca 0.05 -2.13 -0.30 0.00 -0.13 0.00 0.00 55.73 53.22 2ske s ARG 160 Cb -0.12 -4.83 -0.07 0.00 -1.56 0.00 0.00 34.95 28.37 2ske s ARG 160 CO 0.02 -1.65 1.18 0.71 -0.81 0.00 0.00 175.30 174.75 2ske s TYR 161 N 1.77 3.47 -0.76 5.12 2.02 -1.26 -4.76 117.35 122.95 2ske s TYR 161 Ca 0.32 1.42 0.26 0.00 -0.37 0.00 0.00 57.07 58.70 2ske s TYR 161 Cb -0.06 -3.39 0.91 0.00 -0.40 0.00 0.00 41.96 39.02 2ske s TYR 161 CO -0.08 -1.09 1.79 -0.85 -1.57 0.00 0.00 175.55 173.75 2ske n GLU 162 N 2.92 0.19 -3.90 -0.62 0.28 -0.99 -4.51 120.64 114.02 2ske n GLU 162 Ca 0.05 0.20 -0.28 0.00 -0.16 0.00 0.00 57.16 56.98 2ske n GLU 162 Cb 0.45 -1.75 -0.16 0.00 1.43 0.00 0.00 31.44 31.41 2ske n GLU 162 CO 0.00 0.00 0.00 -0.06 -0.16 0.00 0.00 177.13 176.91 2ske s PHE 163 N -3.11 1.75 0.00 -1.84 0.08 -0.53 -4.26 117.98 110.07 2ske s PHE 163 Ca 0.10 -1.11 0.00 0.00 0.12 0.00 0.00 56.93 56.04 2ske s PHE 163 Cb 0.13 -1.34 0.00 0.00 -0.57 0.00 0.00 43.02 41.24 2ske s PHE 163 CO 0.54 -0.62 0.00 0.41 -0.10 0.00 0.00 175.22 175.45 2ske n GLY 164 N 4.86 0.31 3.76 4.36 0.00 -1.22 -2.25 105.19 115.02 2ske n GLY 164 Ca -0.12 -1.67 -0.41 0.00 0.00 0.00 0.00 46.02 43.81 2ske n GLY 164 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 2ske s ILE 165 N 0.53 2.07 0.69 -0.61 1.10 0.10 -4.57 121.20 120.51 2ske s ILE 165 Ca 0.00 0.06 -0.16 0.00 -0.51 0.00 0.00 60.65 60.03 2ske s ILE 165 Cb 0.00 -3.04 -0.01 0.00 0.15 0.00 0.00 42.46 39.56 2ske s ILE 165 CO 0.00 0.01 0.97 2.22 -2.11 0.00 0.00 174.94 176.03 2ske n PHE 166 N 1.54 0.70 -2.94 3.50 1.16 -1.26 -4.61 117.46 115.56 2ske n PHE 166 Ca 0.05 0.40 -0.40 0.00 -1.87 0.00 0.00 57.45 55.63 2ske n PHE 166 Cb 0.38 -2.10 -0.04 0.00 -1.61 0.00 0.00 39.48 36.11 2ske n PHE 166 CO 0.00 0.00 0.00 -0.80 -1.87 0.00 0.00 176.76 174.09 2ske s ASN 167 N -1.54 7.16 -0.18 5.98 0.01 -0.53 -4.90 114.94 120.94 2ske s ASN 167 Ca 0.74 1.39 -0.14 0.00 -0.71 0.00 0.00 52.86 54.15 2ske s ASN 167 Cb -0.36 -2.47 -0.05 0.00 0.41 0.00 0.00 41.25 38.78 2ske s ASN 167 CO 0.49 -0.11 0.29 -1.58 -1.51 0.00 0.00 177.10 174.68 2ske s GLN 168 N 0.59 4.23 -0.02 -0.60 0.74 -1.26 -2.09 119.66 121.25 2ske s GLN 168 Ca 0.42 0.07 0.08 0.00 0.05 0.00 0.00 55.36 55.97 2ske s GLN 168 Cb -0.19 -3.46 -0.02 0.00 1.10 0.00 0.00 33.01 30.44 2ske s GLN 168 CO 0.22 0.17 -0.26 0.15 -0.55 0.00 0.00 175.29 175.03 2ske s LYS 169 N 0.67 2.10 -0.31 1.67 -0.14 0.50 -3.81 119.74 120.42 2ske s LYS 169 Ca 0.16 -0.94 -0.09 0.00 -1.36 0.00 0.00 55.97 53.74 2ske s LYS 169 Cb -0.13 -2.04 -0.00 0.00 -1.68 0.00 0.00 37.83 33.97 2ske s LYS 169 CO 0.04 0.56 0.13 0.42 -0.76 0.00 0.00 175.35 175.75 2ske s ILE 170 N -0.63 4.42 -0.18 2.17 -1.09 -1.26 0.22 121.20 124.86 2ske s ILE 170 Ca 0.10 -0.52 0.01 0.00 -2.23 0.00 0.00 60.65 58.01 2ske s ILE 170 Cb -0.10 -3.27 0.02 0.00 -1.58 0.00 0.00 42.46 37.53 2ske s ILE 170 CO -0.01 0.05 -0.19 0.00 -1.23 0.00 0.00 174.94 173.56 2ske n GLY 172 N 4.60 -0.50 2.27 0.00 0.00 -1.26 -0.60 105.19 109.70 2ske n GLY 172 Ca -0.21 0.01 0.00 0.00 0.00 0.00 0.00 46.02 45.82 2ske n GLY 172 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2ske n GLY 173 N -0.96 1.79 3.92 -0.02 0.00 -1.26 -5.03 105.19 103.63 2ske n GLY 173 Ca -0.19 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.53 2ske n GLY 173 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 2ske s TRP 174 N -3.02 3.50 0.10 1.61 0.52 0.23 -3.96 118.94 117.93 2ske s TRP 174 Ca 0.00 0.27 -0.29 0.00 0.02 0.00 0.00 56.10 56.10 2ske s TRP 174 Cb 0.00 -1.78 -0.06 0.00 -1.15 0.00 0.00 33.47 30.48 2ske s TRP 174 CO 0.00 0.54 0.92 -1.14 0.02 0.00 0.00 176.95 177.29 2ske s GLN 175 N -2.75 4.66 -0.07 4.98 0.74 -1.26 0.44 119.66 126.40 2ske s GLN 175 Ca 0.36 1.37 0.05 0.00 0.05 0.00 0.00 55.36 57.20 2ske s GLN 175 Cb -0.12 -3.37 -0.01 0.00 1.10 0.00 0.00 33.01 30.61 2ske s GLN 175 CO 0.28 0.24 -0.24 -1.64 -0.55 0.00 0.00 175.29 173.38 2ske s MET 176 N -0.06 2.65 -0.08 1.67 -1.94 0.60 -4.89 119.30 117.25 2ske s MET 176 Ca 0.45 -0.88 -0.05 0.00 -1.71 0.00 0.00 55.69 53.50 2ske s MET 176 Cb -0.23 -2.22 -0.04 0.00 2.01 0.00 0.00 34.83 34.36 2ske s MET 176 CO 0.29 0.36 0.13 -1.21 -0.01 0.00 0.00 175.02 174.58 2ske s GLU 177 N -0.11 3.37 -0.08 2.03 8.01 -1.26 -0.37 118.70 130.29 2ske s GLU 177 Ca -0.05 -0.23 -0.05 0.00 0.01 0.00 0.00 54.97 54.65 2ske s GLU 177 Cb -0.14 -3.11 0.03 0.00 -4.31 0.00 0.00 34.13 26.61 2ske s GLU 177 CO 0.04 0.74 0.19 -1.83 0.01 0.00 0.00 175.26 174.41 2ske s GLU 178 N -1.29 0.17 0.05 1.61 -1.05 -0.89 -4.98 118.70 112.31 2ske s GLU 178 Ca 0.18 0.39 -0.38 0.00 -0.15 0.00 0.00 54.97 55.01 2ske s GLU 178 Cb -0.12 -0.06 -0.19 0.00 -0.44 0.00 0.00 34.13 33.32 2ske s GLU 178 CO 0.08 -0.12 1.12 0.00 0.95 0.00 0.00 175.26 177.29 2ske n ALA 179 N 3.79 -2.70 -3.07 -0.84 0.00 -1.26 -1.46 120.51 114.98 2ske n ALA 179 Ca -0.21 0.56 -0.45 0.00 0.00 0.00 0.00 53.44 53.34 2ske n ALA 179 Cb 0.55 -1.85 -0.02 0.00 0.00 0.00 0.00 19.45 18.12 2ske n ALA 179 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 2ske s ASP 180 N 0.08 6.81 -1.43 0.00 2.15 -1.26 -4.73 116.67 118.28 2ske s ASP 180 Ca 0.87 -2.52 -0.10 0.00 0.43 0.00 0.00 52.55 51.22 2ske s ASP 180 Cb -1.14 -2.34 0.06 0.00 -0.30 0.00 0.00 42.92 39.20 2ske s ASP 180 CO 0.54 -0.81 2.33 -0.67 -0.17 0.00 0.00 175.17 176.39 2ske n ASP 181 N 5.40 6.02 0.20 -0.34 -0.08 -1.26 -3.39 116.55 123.09 2ske n ASP 181 Ca 0.24 -2.90 0.14 0.00 -1.51 0.00 0.00 54.79 50.76 2ske n ASP 181 Cb 0.46 -1.54 0.66 0.00 2.34 0.00 0.00 41.12 43.05 2ske n ASP 181 CO 0.00 0.00 0.00 4.11 0.12 0.00 0.00 177.20 181.43 2ske h TRP 182 N 5.47 0.00 -0.01 -0.67 5.08 -1.91 -2.42 115.95 121.48 2ske h TRP 182 Ca 0.62 0.00 0.00 0.00 1.08 0.00 0.00 58.89 60.59 2ske h TRP 182 Cb 0.50 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 26.66 2ske h TRP 182 CO 1.53 0.00 -0.44 1.28 -1.28 0.00 0.00 178.44 179.53 2ske n LEU 183 N -2.51 1.68 -0.29 0.11 4.77 -1.26 -4.57 117.00 114.93 2ske n LEU 183 Ca 0.00 -0.60 0.05 0.00 -0.03 0.00 0.00 56.01 55.43 2ske n LEU 183 Cb 0.16 -0.04 0.11 0.00 -2.33 0.00 0.00 43.42 41.32 2ske n LEU 183 CO 0.18 0.32 0.52 -1.14 -1.33 0.00 0.00 177.39 175.94 2ske n ARG 184 N -0.28 -0.08 0.00 3.23 0.63 -0.91 0.07 116.66 119.32 2ske n ARG 184 Ca 0.10 1.24 0.12 0.00 -0.92 0.00 0.00 57.85 58.39 2ske n ARG 184 Cb 0.43 -1.86 0.19 0.00 0.45 0.00 0.00 32.46 31.67 2ske n ARG 184 CO 0.00 0.00 0.00 0.66 -2.51 0.00 0.00 177.63 175.78 2ske n TYR 185 N -5.29 0.00 0.00 -0.14 4.02 -1.26 -5.07 117.16 109.41 2ske n TYR 185 Ca 0.13 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 58.02 2ske n TYR 185 Cb 0.40 -0.00 0.00 0.00 -0.02 0.00 0.00 39.34 39.71 2ske n TYR 185 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 2ske n GLY 186 N 1.31 2.41 2.92 2.72 0.00 0.11 -4.98 105.19 109.69 2ske n GLY 186 Ca 0.15 -1.90 -0.31 0.00 0.00 0.00 0.00 46.02 43.96 2ske n GLY 186 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 2ske s ASN 187 N 0.00 4.41 0.33 1.61 3.84 -1.26 -4.85 114.94 119.02 2ske s ASN 187 Ca 0.00 -1.85 0.26 0.00 0.21 0.00 0.00 52.86 51.48 2ske s ASN 187 Cb 0.00 -1.32 1.15 0.00 -0.55 0.00 0.00 41.25 40.52 2ske s ASN 187 CO 0.00 -0.37 1.77 1.55 -2.79 0.00 0.00 177.10 177.27 2ske h PRO 188 N 7.81 0.00 0.14 0.43 0.13 -1.99 -3.24 132.00 135.27 2ske h PRO 188 Ca -0.09 0.00 -0.30 0.00 -0.87 0.00 0.00 66.00 64.73 2ske h PRO 188 Cb 1.03 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.16 2ske h PRO 188 CO 0.49 0.00 -1.47 -1.49 -0.23 0.00 0.00 178.00 175.30 2ske h TRP 189 N 0.00 0.52 -4.33 1.56 4.06 -1.96 -3.47 115.95 112.33 2ske h TRP 189 Ca 0.00 -0.38 -0.51 0.00 2.06 0.00 0.00 58.89 60.06 2ske h TRP 189 Cb 0.30 -0.02 0.07 0.00 -1.00 0.00 0.00 29.16 28.50 2ske h TRP 189 CO 0.00 1.39 0.40 -1.83 -3.56 0.00 0.00 178.44 174.83 2ske s GLU 190 N -2.62 3.37 -0.23 0.49 -1.05 -1.23 -4.41 118.70 113.02 2ske s GLU 190 Ca -0.08 0.87 -0.02 0.00 -0.15 0.00 0.00 54.97 55.59 2ske s GLU 190 Cb 0.07 -2.05 0.07 0.00 -0.44 0.00 0.00 34.13 31.78 2ske s GLU 190 CO 0.87 -0.75 0.04 0.21 0.95 0.00 0.00 175.26 176.57 2ske s LYS 191 N -4.97 0.82 0.27 -4.83 2.47 -0.20 -4.95 119.74 108.35 2ske s LYS 191 Ca 0.57 -0.66 -0.30 0.00 -1.56 0.00 0.00 55.97 54.02 2ske s LYS 191 Cb -0.12 -2.15 -0.10 0.00 -1.46 0.00 0.00 37.83 33.99 2ske s LYS 191 CO 0.51 -0.72 1.44 0.00 0.16 0.00 0.00 175.35 176.74 2ske s ALA 192 N 1.73 3.62 -0.55 3.13 0.00 -1.26 -1.47 121.76 126.96 2ske s ALA 192 Ca 0.01 1.35 0.07 0.00 0.00 0.00 0.00 51.96 53.38 2ske s ALA 192 Cb -0.17 -3.56 0.30 0.00 0.00 0.00 0.00 23.12 19.69 2ske s ALA 192 CO -0.12 -0.76 0.79 0.54 0.00 0.00 0.00 175.76 176.21 2ske n ARG 193 N 2.02 2.36 0.27 0.00 5.12 -0.28 -4.92 116.66 121.22 2ske n ARG 193 Ca 0.06 -4.39 0.18 0.00 -1.93 0.00 0.00 57.85 51.77 2ske n ARG 193 Cb 0.40 -2.04 0.90 0.00 -1.16 0.00 0.00 32.46 30.56 2ske n ARG 193 CO 0.00 0.00 0.00 -1.00 -1.93 0.00 0.00 177.63 174.70 2ske h PRO 194 N 3.53 0.00 0.00 5.56 0.13 -1.93 -1.57 132.00 137.72 2ske h PRO 194 Ca 0.14 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.27 2ske h PRO 194 Cb 0.67 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.80 2ske h PRO 194 CO 0.74 0.00 0.00 -0.85 -0.23 0.00 0.00 178.00 177.66 2ske n GLU 195 N -3.34 0.03 -0.57 0.86 0.00 -1.26 -2.82 120.64 113.55 2ske n GLU 195 Ca -0.00 0.24 0.03 0.00 0.00 0.00 0.00 57.16 57.42 2ske n GLU 195 Cb 0.32 -1.56 0.21 0.00 0.00 0.00 0.00 31.44 30.41 2ske n GLU 195 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.13 178.32 2ske n PHE 196 N -1.62 0.77 -1.87 -1.84 3.72 -0.59 -5.03 117.46 111.01 2ske n PHE 196 Ca 0.04 -1.29 -0.41 0.00 -0.05 0.00 0.00 57.45 55.75 2ske n PHE 196 Cb 0.21 -0.36 0.00 0.00 -0.94 0.00 0.00 39.48 38.38 2ske n PHE 196 CO 0.00 0.00 0.00 0.99 -0.05 0.00 0.00 176.76 177.70 2ske s THR 197 N -3.07 2.19 0.12 4.37 2.01 -1.13 -4.63 115.64 115.52 2ske s THR 197 Ca 0.41 0.19 0.07 0.00 0.31 0.00 0.00 61.69 62.67 2ske s THR 197 Cb 0.36 -3.12 -0.04 0.00 0.01 0.00 0.00 72.50 69.72 2ske s THR 197 CO 0.02 0.04 -0.17 -0.76 -0.69 0.00 0.00 174.62 173.06 2ske s LEU 198 N -2.23 2.38 0.09 4.42 1.02 0.09 -4.94 118.68 119.50 2ske s LEU 198 Ca 0.54 -0.78 -0.11 0.00 0.02 0.00 0.00 54.13 53.81 2ske s LEU 198 Cb -0.44 -0.71 -0.06 0.00 0.02 0.00 0.00 46.19 45.00 2ske s LEU 198 CO 0.59 -0.06 0.44 -2.16 0.02 0.00 0.00 176.35 175.18 2ske s PRO 199 N -2.43 3.83 -0.00 1.29 0.04 -1.26 0.72 135.00 137.19 2ske s PRO 199 Ca 0.09 0.27 0.05 0.00 0.04 0.00 0.00 61.00 61.46 2ske s PRO 199 Cb -0.07 -3.00 -0.01 0.00 0.04 0.00 0.00 34.50 31.45 2ske s PRO 199 CO 0.04 0.55 -0.16 0.08 0.04 0.00 0.00 177.00 177.56 2ske s VAL 200 N -1.38 1.24 0.11 -0.36 1.01 0.12 -4.86 120.40 116.27 2ske s VAL 200 Ca 0.33 -0.74 0.05 0.00 0.00 0.00 0.00 61.98 61.62 2ske s VAL 200 Cb -0.14 -1.05 -0.04 0.00 0.00 0.00 0.00 36.38 35.14 2ske s VAL 200 CO 0.18 0.29 0.01 -1.00 0.00 0.00 0.00 175.10 174.59 2ske s HIS 201 N -0.46 2.99 0.05 5.22 3.76 -1.26 -0.98 115.29 124.61 2ske s HIS 201 Ca 0.06 -0.04 -0.03 0.00 -0.15 0.00 0.00 55.06 54.90 2ske s HIS 201 Cb -0.06 -1.52 -0.03 0.00 1.11 0.00 0.00 32.58 32.08 2ske s HIS 201 CO -0.00 0.49 0.02 -0.06 -0.85 0.00 0.00 174.74 174.34 2ske s PHE 202 N -1.41 0.37 0.00 1.40 0.08 -0.51 -4.95 117.98 112.96 2ske s PHE 202 Ca 0.27 -0.82 0.00 0.00 0.12 0.00 0.00 56.93 56.49 2ske s PHE 202 Cb -0.11 -0.27 0.00 0.00 -0.57 0.00 0.00 43.02 42.07 2ske s PHE 202 CO 0.19 -0.37 0.00 0.66 -0.10 0.00 0.00 175.22 175.60 2ske n TYR 203 N 0.42 0.00 -4.24 0.36 4.01 0.92 -0.76 117.16 117.87 2ske n TYR 203 Ca -0.16 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.58 2ske n TYR 203 Cb 0.60 0.01 0.00 0.00 -0.31 0.00 0.00 39.34 39.64 2ske n TYR 203 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 2ske n GLY 204 N 0.00 -0.60 3.74 2.72 0.00 -1.22 -4.53 105.19 105.30 2ske n GLY 204 Ca 0.00 -1.12 -0.08 0.00 0.00 0.00 0.00 46.02 44.81 2ske n GLY 204 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 2ske s ARG 205 N 0.00 1.77 -0.19 1.61 1.70 0.55 -4.89 118.95 119.50 2ske s ARG 205 Ca 0.00 -1.18 -0.02 0.00 -0.47 0.00 0.00 55.73 54.06 2ske s ARG 205 Cb 0.00 0.55 -0.01 0.00 -0.57 0.00 0.00 34.95 34.93 2ske s ARG 205 CO 0.00 -0.78 -0.09 0.08 -1.08 0.00 0.00 175.30 173.43 2ske s VAL 206 N -3.71 3.14 -0.19 4.99 1.01 -1.26 -0.30 120.40 124.07 2ske s VAL 206 Ca 0.17 -0.59 -0.08 0.00 0.00 0.00 0.00 61.98 61.48 2ske s VAL 206 Cb -0.04 -2.38 -0.04 0.00 0.00 0.00 0.00 36.38 33.92 2ske s VAL 206 CO 0.09 0.47 0.07 -1.61 0.00 0.00 0.00 175.10 174.12 2ske s GLU 207 N 1.09 3.96 -0.48 2.72 2.02 0.16 -4.91 118.70 123.27 2ske s GLU 207 Ca 0.01 -0.35 -0.13 0.00 0.02 0.00 0.00 54.97 54.52 2ske s GLU 207 Cb -0.15 -3.26 0.10 0.00 0.10 0.00 0.00 34.13 30.93 2ske s GLU 207 CO -0.02 0.21 0.39 -1.01 0.02 0.00 0.00 175.26 174.86 2ske s HIS 208 N 0.54 3.30 -0.06 1.61 3.76 -1.26 0.59 115.29 123.78 2ske s HIS 208 Ca 0.04 -1.37 0.04 0.00 -0.15 0.00 0.00 55.06 53.62 2ske s HIS 208 Cb -0.13 -3.40 -0.00 0.00 1.11 0.00 0.00 32.58 30.16 2ske s HIS 208 CO 0.01 -0.92 -0.20 0.95 -0.85 0.00 0.00 174.74 173.73 2ske s THR 209 N 1.52 1.68 0.00 1.30 -4.23 -0.62 -4.99 115.64 110.31 2ske s THR 209 Ca 0.04 -0.83 0.00 0.00 -1.18 0.00 0.00 61.69 59.72 2ske s THR 209 Cb -0.26 -1.45 0.00 0.00 1.34 0.00 0.00 72.50 72.13 2ske s THR 209 CO 0.03 0.48 0.00 -1.20 -0.54 0.00 0.00 174.62 173.39 2ske n SER 210 N 3.31 0.00 -3.44 3.99 7.64 -1.26 -1.54 113.62 122.32 2ske n SER 210 Ca -0.19 0.00 -0.36 0.00 1.01 0.00 0.00 58.87 59.33 2ske n SER 210 Cb 0.53 0.00 -0.00 0.00 -1.01 0.00 0.00 64.21 63.72 2ske n SER 210 CO 0.00 0.00 0.00 1.67 -3.01 0.00 0.00 175.04 173.70 2ske n GLN 211 N 0.00 4.60 0.00 1.43 -0.06 -1.26 -5.02 117.38 117.06 2ske n GLN 211 Ca 0.00 -4.73 0.00 0.00 -2.00 0.00 0.00 57.00 50.27 2ske n GLN 211 Cb 0.00 -2.39 0.00 0.00 -4.06 0.00 0.00 30.24 23.79 2ske n GLN 211 CO 0.00 0.00 0.00 0.41 -0.20 0.00 0.00 177.06 177.27 2ske n GLY 212 N 0.00 3.06 3.88 1.69 0.00 -0.59 -5.08 105.19 108.16 2ske n GLY 212 Ca 0.40 -2.02 -0.30 0.00 0.00 0.00 0.00 46.02 44.10 2ske n GLY 212 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2ske s ALA 213 N -2.67 3.37 -0.04 4.61 0.00 -1.26 -1.58 121.76 124.18 2ske s ALA 213 Ca 0.00 -0.28 0.00 0.00 0.00 0.00 0.00 51.96 51.68 2ske s ALA 213 Cb 0.00 -2.67 0.03 0.00 0.00 0.00 0.00 23.12 20.48 2ske s ALA 213 CO 0.00 -0.08 -0.01 0.15 0.00 0.00 0.00 175.76 175.82 2ske s LYS 214 N -4.03 0.51 -0.29 0.00 1.02 0.20 -4.92 119.74 112.22 2ske s LYS 214 Ca 0.50 0.04 -0.24 0.00 0.02 0.00 0.00 55.97 56.29 2ske s LYS 214 Cb -0.10 -0.69 0.00 0.00 -0.52 0.00 0.00 37.83 36.52 2ske s LYS 214 CO 0.34 -0.16 0.83 -0.46 -0.92 0.00 0.00 175.35 174.98 2ske s TRP 215 N 1.24 3.23 0.24 3.18 -0.00 -1.26 -0.66 118.94 124.90 2ske s TRP 215 Ca -0.07 0.95 0.06 0.00 -0.00 0.00 0.00 56.10 57.04 2ske s TRP 215 Cb -0.13 -3.21 -0.05 0.00 -0.00 0.00 0.00 33.47 30.07 2ske s TRP 215 CO -0.02 -0.54 -0.06 0.54 -0.00 0.00 0.00 176.95 176.87 2ske s VAL 216 N 2.99 1.46 -1.41 5.86 0.11 0.59 -4.86 120.40 125.15 2ske s VAL 216 Ca 0.34 -2.11 -0.06 0.00 -2.93 0.00 0.00 61.98 57.22 2ske s VAL 216 Cb -0.14 -2.30 0.04 0.00 -1.53 0.00 0.00 36.38 32.45 2ske s VAL 216 CO 0.11 -0.40 0.84 0.47 -3.33 0.00 0.00 175.10 172.80 2ske n ASP 217 N -0.47 -2.94 -4.93 3.54 8.00 -1.26 -0.33 116.55 118.16 2ske n ASP 217 Ca -0.06 -0.79 -0.25 0.00 0.71 0.00 0.00 54.79 54.40 2ske n ASP 217 Cb 0.63 -4.03 0.01 0.00 -0.02 0.00 0.00 41.12 37.71 2ske n ASP 217 CO 0.00 0.00 0.00 0.42 -0.39 0.00 0.00 177.20 177.23 2ske s THR 218 N -3.50 4.30 -0.20 -3.53 -4.23 -1.26 -3.37 115.64 103.84 2ske s THR 218 Ca 0.31 -0.19 -0.12 0.00 -1.18 0.00 0.00 61.69 60.51 2ske s THR 218 Cb -0.15 -3.62 -0.05 0.00 1.34 0.00 0.00 72.50 70.01 2ske s THR 218 CO 0.82 -0.53 0.20 -1.58 -0.54 0.00 0.00 174.62 172.99 2ske s GLN 219 N -4.68 4.17 -0.17 3.99 0.74 0.06 -4.90 119.66 118.87 2ske s GLN 219 Ca 0.48 -0.13 -0.10 0.00 0.05 0.00 0.00 55.36 55.66 2ske s GLN 219 Cb -0.10 -3.47 -0.05 0.00 1.10 0.00 0.00 33.01 30.49 2ske s GLN 219 CO 0.41 0.18 0.17 0.08 -0.55 0.00 0.00 175.29 175.58 2ske s VAL 220 N 0.68 5.40 -0.01 1.34 1.01 -1.26 -1.43 120.40 126.13 2ske s VAL 220 Ca 0.11 0.27 0.06 0.00 0.00 0.00 0.00 61.98 62.42 2ske s VAL 220 Cb -0.12 -3.49 -0.02 0.00 0.00 0.00 0.00 36.38 32.75 2ske s VAL 220 CO 0.02 0.47 -0.20 -0.69 0.00 0.00 0.00 175.10 174.70 2ske s VAL 221 N 0.08 1.54 0.01 2.92 1.01 -0.15 -4.42 120.40 121.39 2ske s VAL 221 Ca 0.11 -0.85 -0.10 0.00 0.00 0.00 0.00 61.98 61.15 2ske s VAL 221 Cb -0.12 -1.28 -0.05 0.00 0.00 0.00 0.00 36.38 34.93 2ske s VAL 221 CO 0.01 0.43 0.33 -0.76 0.00 0.00 0.00 175.10 175.10 2ske s LEU 222 N -0.48 4.40 -0.30 3.92 1.43 0.10 0.11 118.68 127.85 2ske s LEU 222 Ca 0.07 0.74 -0.05 0.00 -1.03 0.00 0.00 54.13 53.87 2ske s LEU 222 Cb -0.08 -2.65 0.03 0.00 0.03 0.00 0.00 46.19 43.53 2ske s LEU 222 CO -0.01 0.27 0.05 0.00 0.23 0.00 0.00 176.35 176.89 2ske s ALA 223 N -1.22 2.94 -0.23 4.21 0.00 0.22 -0.18 121.76 127.50 2ske s ALA 223 Ca 0.26 -1.64 -0.10 0.00 0.00 0.00 0.00 51.96 50.49 2ske s ALA 223 Cb -0.14 -2.07 -0.05 0.00 0.00 0.00 0.00 23.12 20.86 2ske s ALA 223 CO 0.14 -1.14 0.13 1.41 0.00 0.00 0.00 175.76 176.30 2ske s MET 224 N 1.38 4.00 0.36 0.00 0.00 0.48 -0.74 119.30 124.77 2ske s MET 224 Ca -0.01 -0.31 -0.14 0.00 0.00 0.00 0.00 55.69 55.23 2ske s MET 224 Cb -0.19 -3.46 -0.08 0.00 0.00 0.00 0.00 34.83 31.10 2ske s MET 224 CO 0.01 0.06 0.76 -1.25 0.00 0.00 0.00 175.02 174.60 2ske s PRO 225 N 1.04 3.94 -0.07 4.11 0.04 -1.26 0.11 135.00 142.91 2ske s PRO 225 Ca 0.06 0.64 0.00 0.00 0.04 0.00 0.00 61.00 61.74 2ske s PRO 225 Cb -0.14 -2.40 0.02 0.00 0.04 0.00 0.00 34.50 32.03 2ske s PRO 225 CO 0.04 0.08 -0.04 0.71 0.04 0.00 0.00 177.00 177.83 2ske s TYR 226 N -2.13 0.88 -0.18 0.56 1.51 -0.11 -1.13 117.35 116.76 2ske s TYR 226 Ca 0.54 -0.30 -0.07 0.00 -1.01 0.00 0.00 57.07 56.22 2ske s TYR 226 Cb -0.10 -0.83 -0.04 0.00 -0.11 0.00 0.00 41.96 40.88 2ske s TYR 226 CO 0.22 -0.30 0.06 -0.51 -1.11 0.00 0.00 175.55 173.91 2ske s ASP 227 N 1.41 5.62 -0.09 2.29 1.01 -0.54 -0.78 116.67 125.59 2ske s ASP 227 Ca -0.03 0.08 0.03 0.00 0.71 0.00 0.00 52.55 53.34 2ske s ASP 227 Cb -0.13 -1.95 -0.02 0.00 1.01 0.00 0.00 42.92 41.83 2ske s ASP 227 CO -0.03 0.18 -0.17 -0.89 0.21 0.00 0.00 175.17 174.47 2ske s THR 228 N 0.32 2.73 0.30 -1.27 2.01 -0.24 -1.03 115.64 118.47 2ske s THR 228 Ca 0.03 -0.80 -0.29 0.00 0.31 0.00 0.00 61.69 60.94 2ske s THR 228 Cb -0.12 -2.09 -0.09 0.00 0.01 0.00 0.00 72.50 70.20 2ske s THR 228 CO 0.00 0.56 1.11 -2.16 -0.69 0.00 0.00 174.62 173.43 2ske s PRO 229 N -0.05 4.54 -0.36 4.92 0.04 -1.26 -0.99 135.00 141.84 2ske s PRO 229 Ca -0.04 1.79 0.03 0.00 0.04 0.00 0.00 61.00 62.82 2ske s PRO 229 Cb -0.14 -3.08 0.11 0.00 0.04 0.00 0.00 34.50 31.42 2ske s PRO 229 CO 0.04 0.12 0.10 0.08 0.04 0.00 0.00 177.00 177.38 2ske s VAL 230 N -1.23 1.93 0.06 -0.36 1.01 0.12 -4.89 120.40 117.04 2ske s VAL 230 Ca 0.47 -2.25 -0.29 0.00 0.00 0.00 0.00 61.98 59.91 2ske s VAL 230 Cb -0.31 -2.42 -0.05 0.00 0.00 0.00 0.00 36.38 33.60 2ske s VAL 230 CO 0.40 -0.66 0.92 -2.16 0.00 0.00 0.00 175.10 173.60 2ske s PRO 231 N 0.90 4.61 0.80 2.72 0.04 -1.26 -0.00 135.00 142.81 2ske s PRO 231 Ca 0.12 1.35 -0.12 0.00 0.04 0.00 0.00 61.00 62.39 2ske s PRO 231 Cb -0.20 -3.40 0.07 0.00 0.04 0.00 0.00 34.50 31.01 2ske s PRO 231 CO -0.11 0.15 1.12 0.20 0.04 0.00 0.00 177.00 178.41 2ske s GLY 232 N 0.29 1.61 -0.43 0.56 0.00 0.12 -4.78 107.32 104.69 2ske s GLY 232 Ca 0.46 -0.39 -0.29 0.00 0.00 0.00 0.00 44.72 44.50 2ske s GLY 232 CO 0.28 0.06 1.28 -0.47 0.00 0.00 0.00 173.10 174.24 2ske s TYR 233 N -3.32 2.61 -1.70 1.90 5.04 -1.26 -4.16 117.35 116.46 2ske s TYR 233 Ca 0.61 0.72 -0.20 0.00 -2.44 0.00 0.00 57.07 55.75 2ske s TYR 233 Cb -0.13 -4.33 0.20 0.00 0.35 0.00 0.00 41.96 38.05 2ske s TYR 233 CO 0.52 -1.63 0.62 0.54 -1.34 0.00 0.00 175.55 174.26 2ske n ARG 234 N 7.90 -1.67 0.00 4.97 3.00 -0.19 -4.79 116.66 125.87 2ske n ARG 234 Ca 0.14 0.21 0.00 0.00 -0.01 0.00 0.00 57.85 58.20 2ske n ARG 234 Cb 0.48 -4.84 0.00 0.00 0.00 0.00 0.00 32.46 28.10 2ske n ARG 234 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.63 177.90 2ske n ASN 235 N -2.45 1.15 -1.16 0.55 2.04 -1.26 -4.94 115.26 109.19 2ske n ASN 235 Ca 0.10 -1.45 -0.15 0.00 -0.44 0.00 0.00 54.58 52.64 2ske n ASN 235 Cb 0.47 0.00 -0.06 0.00 -2.53 0.00 0.00 39.78 37.66 2ske n ASN 235 CO 0.00 0.00 0.00 0.59 -0.44 0.00 0.00 177.26 177.41 2ske n ASN 236 N -0.23 -4.72 -4.61 0.53 3.02 -1.26 -0.08 115.26 107.91 2ske n ASN 236 Ca 0.00 0.33 -0.35 0.00 -0.03 0.00 0.00 54.58 54.53 2ske n ASN 236 Cb 0.24 -3.53 -0.10 0.00 -0.61 0.00 0.00 39.78 35.77 2ske n ASN 236 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 2ske s VAL 237 N -2.56 4.81 -0.28 2.41 1.01 -1.26 -4.66 120.40 119.88 2ske s VAL 237 Ca 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 61.98 61.96 2ske s VAL 237 Cb 0.00 -3.19 0.08 0.00 0.00 0.00 0.00 36.38 33.27 2ske s VAL 237 CO 0.00 0.42 0.04 -0.69 0.00 0.00 0.00 175.10 174.87 2ske s VAL 238 N 0.67 1.23 0.58 2.92 1.01 -1.26 0.15 120.40 125.70 2ske s VAL 238 Ca 0.04 -1.37 -0.05 0.00 0.00 0.00 0.00 61.98 60.60 2ske s VAL 238 Cb -0.13 -1.77 0.12 0.00 0.00 0.00 0.00 36.38 34.60 2ske s VAL 238 CO 0.02 -0.43 0.79 0.59 0.00 0.00 0.00 175.10 176.06 2ske n ASN 239 N 4.73 0.56 -4.26 3.32 3.02 1.00 -4.65 115.26 118.98 2ske n ASN 239 Ca -0.05 -1.59 -0.28 0.00 -0.03 0.00 0.00 54.58 52.63 2ske n ASN 239 Cb 0.43 -0.56 -0.15 0.00 -0.61 0.00 0.00 39.78 38.89 2ske n ASN 239 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 2ske s THR 240 N -2.48 1.78 -0.29 3.41 2.01 -1.26 -0.71 115.64 118.11 2ske s THR 240 Ca 0.49 -1.03 -0.02 0.00 0.31 0.00 0.00 61.69 61.44 2ske s THR 240 Cb -0.02 -1.49 0.04 0.00 0.01 0.00 0.00 72.50 71.04 2ske s THR 240 CO 0.33 0.44 -0.02 -0.32 -0.69 0.00 0.00 174.62 174.36 2ske s MET 241 N -0.69 2.52 -0.31 4.92 1.75 -0.16 -1.76 119.30 125.57 2ske s MET 241 Ca 0.09 -1.20 -0.12 0.00 -1.25 0.00 0.00 55.69 53.21 2ske s MET 241 Cb -0.09 -3.12 -0.03 0.00 2.84 0.00 0.00 34.83 34.43 2ske s MET 241 CO -0.00 -0.57 0.21 0.50 -0.65 0.00 0.00 175.02 174.51 2ske s ARG 242 N 1.26 3.67 -0.19 4.11 3.52 0.12 -1.08 118.95 130.36 2ske s ARG 242 Ca -0.04 -0.52 -0.04 0.00 -0.13 0.00 0.00 55.73 55.01 2ske s ARG 242 Cb -0.19 -3.72 -0.02 0.00 -1.56 0.00 0.00 34.95 29.46 2ske s ARG 242 CO -0.02 -0.33 -0.05 -0.51 -0.81 0.00 0.00 175.30 173.58 2ske s LEU 243 N 1.73 3.02 0.20 -0.88 1.02 0.04 -2.20 118.68 121.61 2ske s LEU 243 Ca 0.06 -0.29 -0.22 0.00 0.02 0.00 0.00 54.13 53.71 2ske s LEU 243 Cb -0.17 -1.75 -0.08 0.00 0.02 0.00 0.00 46.19 44.21 2ske s LEU 243 CO 0.10 0.06 0.74 0.26 0.02 0.00 0.00 176.35 177.54 2ske s TRP 244 N 0.98 3.74 -0.03 0.29 0.52 -0.62 -0.93 118.94 122.90 2ske s TRP 244 Ca 0.00 1.47 0.07 0.00 0.02 0.00 0.00 56.10 57.67 2ske s TRP 244 Cb -0.15 -2.67 -0.02 0.00 -1.15 0.00 0.00 33.47 29.49 2ske s TRP 244 CO 0.01 0.40 -0.25 0.45 0.02 0.00 0.00 176.95 177.58 2ske s SER 245 N -1.46 2.91 0.05 2.95 0.15 0.12 -1.05 113.70 117.37 2ske s SER 245 Ca 0.40 -0.46 -0.26 0.00 0.70 0.00 0.00 55.95 56.34 2ske s SER 245 Cb -0.19 -0.43 -0.05 0.00 -1.71 0.00 0.00 66.02 63.64 2ske s SER 245 CO 0.23 0.29 0.79 0.00 1.20 0.00 0.00 173.24 175.74 2ske s ALA 246 N -0.49 3.35 0.00 5.45 0.00 -1.26 -0.39 121.76 128.43 2ske s ALA 246 Ca 0.07 0.32 0.01 0.00 0.00 0.00 0.00 51.96 52.36 2ske s ALA 246 Cb -0.10 -3.03 -0.01 0.00 0.00 0.00 0.00 23.12 19.98 2ske s ALA 246 CO -0.00 0.05 -0.05 0.15 0.00 0.00 0.00 175.76 175.91 2ske s LYS 247 N -0.02 0.37 0.18 0.00 -0.14 0.75 -4.65 119.74 116.24 2ske s LYS 247 Ca 0.40 -0.26 -0.22 0.00 -1.36 0.00 0.00 55.97 54.53 2ske s LYS 247 Cb -0.21 -0.31 -0.08 0.00 -1.68 0.00 0.00 37.83 35.55 2ske s LYS 247 CO 0.24 0.08 0.72 0.00 -0.76 0.00 0.00 175.35 175.63 2ske s ALA 248 N -0.35 3.45 0.60 5.17 0.00 -1.26 0.01 121.76 129.38 2ske s ALA 248 Ca -0.01 0.21 -0.17 0.00 0.00 0.00 0.00 51.96 52.00 2ske s ALA 248 Cb -0.03 -2.84 -0.03 0.00 0.00 0.00 0.00 23.12 20.22 2ske s ALA 248 CO -0.00 0.33 1.10 -1.25 0.00 0.00 0.00 175.76 175.93 2ske s PRO 249 N -1.56 3.14 0.00 0.00 0.04 -1.26 -4.88 135.00 130.48 2ske s PRO 249 Ca 0.38 1.40 0.28 0.00 0.04 0.00 0.00 61.00 63.11 2ske s PRO 249 Cb -0.19 -1.99 1.11 0.00 0.04 0.00 0.00 34.50 33.46 2ske s PRO 249 CO 0.23 -0.98 1.78 0.27 0.04 0.00 0.00 177.00 178.34 2ske n ASN 250 N -1.93 0.74 0.00 6.66 6.94 -1.26 -3.97 115.26 122.45 2ske n ASN 250 Ca 0.10 -0.82 0.00 0.00 -0.02 0.00 0.00 54.58 53.84 2ske n ASN 250 Cb 0.52 0.00 0.00 0.00 -2.36 0.00 0.00 39.78 37.94 2ske n ASN 250 CO 0.00 0.00 0.00 -0.90 -1.03 0.00 0.00 177.26 175.33 2ske n ASP 251 N -0.71 0.00 -0.43 0.53 5.75 -1.26 -4.59 116.55 115.84 2ske n ASP 251 Ca 0.15 0.00 0.36 0.00 -0.01 0.00 0.00 54.79 55.29 2ske n ASP 251 Cb 0.30 0.00 0.64 0.00 -1.03 0.00 0.00 41.12 41.02 2ske n ASP 251 CO 0.00 0.00 0.00 -0.26 -0.11 0.00 0.00 177.20 176.83 2ske h PHE 252 N 0.00 0.58 0.00 2.11 0.04 -1.91 1.74 116.94 119.51 2ske h PHE 252 Ca 0.00 0.03 -0.31 0.00 2.80 0.00 0.00 57.97 60.48 2ske h PHE 252 Cb 0.00 -0.14 -0.03 0.00 2.20 0.00 0.00 35.95 37.97 2ske h PHE 252 CO 0.00 -0.25 0.96 -1.71 -0.60 0.00 0.00 178.31 176.71 2ske n ASN 253 N -4.79 5.83 0.00 2.17 5.15 -1.25 -2.77 115.26 119.59 2ske n ASN 253 Ca 0.37 -2.43 0.00 0.00 -0.60 0.00 0.00 54.58 51.92 2ske n ASN 253 Cb 1.41 -1.35 0.00 0.00 -0.53 0.00 0.00 39.78 39.30 2ske n ASN 253 CO 0.00 0.00 0.00 -0.11 1.40 0.00 0.00 177.26 178.55 2ske n LEU 254 N 2.92 0.00 0.22 1.20 -0.00 0.27 -4.72 117.00 116.89 2ske n LEU 254 Ca 0.50 0.00 0.11 0.00 -0.00 0.00 0.00 56.01 56.62 2ske n LEU 254 Cb 0.64 0.00 0.29 0.00 -0.00 0.00 0.00 43.42 44.35 2ske n LEU 254 CO 0.36 0.00 0.79 0.50 -0.00 0.00 0.00 177.39 179.04 2ske h LYS 255 N 0.00 0.00 -5.68 1.96 3.64 0.26 -3.40 116.57 113.35 2ske h LYS 255 Ca 0.00 0.00 -0.29 0.00 -1.27 0.00 0.00 60.65 59.09 2ske h LYS 255 Cb 0.00 0.00 -0.05 0.00 -0.41 0.00 0.00 32.23 31.77 2ske h LYS 255 CO 0.00 0.11 0.75 0.34 -2.27 0.00 0.00 179.45 178.38 2ske s ASP 256 N -6.14 5.09 1.08 4.20 -1.08 -1.12 -4.89 116.67 113.82 2ske s ASP 256 Ca 0.04 -0.76 -0.18 0.00 -0.52 0.00 0.00 52.55 51.13 2ske s ASP 256 Cb 0.07 -2.56 0.25 0.00 -1.46 0.00 0.00 42.92 39.22 2ske s ASP 256 CO 0.65 -2.82 1.26 0.72 0.52 0.00 0.00 175.17 175.50 2ske s PHE 257 N 10.33 0.92 0.00 -5.34 -0.71 -1.26 -4.92 117.98 117.00 2ske s PHE 257 Ca 0.71 0.31 0.00 0.00 -1.04 0.00 0.00 56.93 56.91 2ske s PHE 257 Cb -0.06 -3.94 0.00 0.00 -1.21 0.00 0.00 43.02 37.81 2ske s PHE 257 CO 0.01 -3.28 0.00 0.09 -1.34 0.00 0.00 175.22 170.70 2ske n ASN 258 N -4.23 -0.19 -1.09 1.98 4.13 -1.26 -5.06 115.26 109.53 2ske n ASN 258 Ca 0.16 0.00 0.00 0.00 1.68 0.00 0.00 54.58 56.42 2ske n ASN 258 Cb 0.59 -0.06 0.00 0.00 -1.54 0.00 0.00 39.78 38.78 2ske n ASN 258 CO 0.00 0.00 0.00 0.52 0.28 0.00 0.00 177.26 178.06 2ske n VAL 259 N -0.14 -2.92 0.00 2.41 0.31 -1.26 -5.03 118.33 111.70 2ske n VAL 259 Ca 0.00 1.31 0.00 0.00 -0.01 0.00 0.00 64.34 65.64 2ske n VAL 259 Cb 0.05 -1.96 0.00 0.00 -0.91 0.00 0.00 33.84 31.02 2ske n VAL 259 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 2ske n GLY 260 N -1.65 2.24 0.00 2.92 0.00 -1.26 -5.10 105.19 102.35 2ske n GLY 260 Ca 0.00 -0.24 0.00 0.00 0.00 0.00 0.00 46.02 45.78 2ske n GLY 260 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2ske n GLY 261 N 0.00 3.78 0.20 -0.02 0.00 -1.26 -4.78 105.19 103.11 2ske n GLY 261 Ca 0.00 -1.41 -0.17 0.00 0.00 0.00 0.00 46.02 44.44 2ske n GLY 261 CO 0.00 0.00 0.00 -1.82 0.00 0.00 0.00 173.32 171.50 2ske h TYR 262 N 0.00 0.95 0.25 1.61 3.20 -1.99 -2.40 116.97 118.59 2ske h TYR 262 Ca 0.00 -0.43 -0.01 0.00 3.14 0.00 0.00 58.73 61.43 2ske h TYR 262 Cb 0.00 -0.14 0.00 0.00 1.54 0.00 0.00 36.73 38.13 2ske h TYR 262 CO 0.00 1.25 -0.12 0.82 -1.64 0.00 0.00 178.16 178.47 2ske h ILE 263 N 0.38 0.80 -0.90 1.81 1.08 -2.00 -2.74 117.51 115.94 2ske h ILE 263 Ca -0.06 -0.38 0.11 0.00 -0.39 0.00 0.00 64.86 64.15 2ske h ILE 263 Cb 1.35 1.02 -0.07 0.00 -3.07 0.00 0.00 36.82 36.06 2ske h ILE 263 CO 0.15 0.08 0.58 1.56 -0.69 0.00 0.00 178.15 179.83 2ske h GLN 264 N -0.53 0.82 -0.70 2.37 1.08 -1.86 -1.12 115.11 115.17 2ske h GLN 264 Ca -0.03 -0.05 -0.01 0.00 -1.45 0.00 0.00 58.65 57.11 2ske h GLN 264 Cb 0.39 -0.18 -0.03 0.00 -0.05 0.00 0.00 27.48 27.61 2ske h GLN 264 CO 0.06 0.54 0.41 0.00 -0.95 0.00 0.00 178.83 178.89 2ske h ALA 265 N 1.57 0.89 -0.36 3.87 0.00 -1.27 0.18 119.26 124.14 2ske h ALA 265 Ca 0.43 -0.09 -0.15 0.00 0.00 0.00 0.00 54.91 55.10 2ske h ALA 265 Cb 0.50 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 18.01 2ske h ALA 265 CO -0.20 0.37 -0.38 0.28 0.00 0.00 0.00 179.25 179.32 2ske h VAL 266 N 0.95 1.28 0.00 0.00 2.07 -1.01 -2.87 116.25 116.67 2ske h VAL 266 Ca 0.25 -1.55 -0.07 0.00 0.82 0.00 0.00 66.70 66.15 2ske h VAL 266 Cb -0.02 1.40 -0.01 0.00 -1.52 0.00 0.00 31.29 31.15 2ske h VAL 266 CO -0.05 0.51 -0.33 -0.07 0.02 0.00 0.00 177.57 177.66 2ske h LEU 267 N 0.70 0.00 0.00 2.57 3.38 -0.83 -2.75 115.31 118.38 2ske h LEU 267 Ca 0.06 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.03 2ske h LEU 267 Cb 0.95 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.70 2ske h LEU 267 CO 0.09 0.33 0.00 0.47 0.09 0.00 0.00 178.44 179.42 2ske n ASP 268 N -3.68 0.00 0.24 -0.43 8.00 0.60 -3.04 116.55 118.24 2ske n ASP 268 Ca -0.01 -0.16 0.08 0.00 0.71 0.00 0.00 54.79 55.42 2ske n ASP 268 Cb 0.43 -0.26 0.60 0.00 -0.02 0.00 0.00 41.12 41.88 2ske n ASP 268 CO 0.00 0.00 0.00 0.03 -0.39 0.00 0.00 177.20 176.84 2ske h ARG 269 N 0.00 0.00 -3.87 -1.24 3.08 -1.47 -3.17 114.38 107.71 2ske h ARG 269 Ca 0.00 0.00 -0.71 0.00 0.07 0.00 0.00 59.98 59.34 2ske h ARG 269 Cb 0.22 0.00 -0.04 0.00 0.08 0.00 0.00 29.97 30.23 2ske h ARG 269 CO 0.00 0.15 3.11 0.09 -1.07 0.00 0.00 179.97 182.26 2ske n ASN 270 N -4.04 4.39 0.00 7.04 3.02 -1.17 -2.11 115.26 122.38 2ske n ASN 270 Ca -0.02 -2.84 0.00 0.00 -0.03 0.00 0.00 54.58 51.69 2ske n ASN 270 Cb 0.24 -1.64 0.00 0.00 -0.61 0.00 0.00 39.78 37.77 2ske n ASN 270 CO 0.00 0.00 0.00 -0.11 -2.62 0.00 0.00 177.26 174.53 2ske n LEU 271 N 5.70 0.00 -0.01 3.41 7.94 -1.20 -4.74 117.00 128.10 2ske n LEU 271 Ca 0.53 0.00 -0.07 0.00 -1.11 0.00 0.00 56.01 55.37 2ske n LEU 271 Cb 0.37 0.00 -0.13 0.00 0.53 0.00 0.00 43.42 44.20 2ske n LEU 271 CO 0.89 0.00 -0.48 0.00 -1.11 0.00 0.00 177.39 176.69 2ske n ALA 272 N -1.02 1.59 0.78 1.96 0.00 -0.90 -3.93 120.51 119.00 2ske n ALA 272 Ca 0.00 -0.72 0.13 0.00 0.00 0.00 0.00 53.44 52.85 2ske n ALA 272 Cb 0.00 -0.87 0.44 0.00 0.00 0.00 0.00 19.45 19.02 2ske n ALA 272 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 2ske n GLU 273 N -3.01 0.15 0.11 0.00 1.02 -1.11 -3.30 120.64 114.50 2ske n GLU 273 Ca -0.15 0.11 0.11 0.00 -0.02 0.00 0.00 57.16 57.20 2ske n GLU 273 Cb 1.01 -1.66 0.46 0.00 -0.02 0.00 0.00 31.44 31.22 2ske n GLU 273 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 2ske n ASN 274 N -1.92 0.53 0.07 1.62 3.02 -1.25 -3.02 115.26 114.31 2ske n ASN 274 Ca 0.06 0.64 0.05 0.00 -0.03 0.00 0.00 54.58 55.30 2ske n ASN 274 Cb 0.39 -0.75 0.48 0.00 -0.61 0.00 0.00 39.78 39.30 2ske n ASN 274 CO 0.00 0.00 0.00 0.40 -2.62 0.00 0.00 177.26 175.04 2ske h ILE 275 N 0.00 1.08 -0.18 2.41 2.04 -1.79 -2.61 117.51 118.46 2ske h ILE 275 Ca 0.00 -0.14 0.00 0.00 1.00 0.00 0.00 64.86 65.72 2ske h ILE 275 Cb 0.31 0.64 0.00 0.00 -0.74 0.00 0.00 36.82 37.03 2ske h ILE 275 CO 0.00 0.07 0.00 -1.54 0.00 0.00 0.00 178.15 176.68 2ske n SER 276 N -4.49 3.34 -0.03 1.72 3.41 -1.17 -4.66 113.62 111.74 2ske n SER 276 Ca 0.01 -2.99 -0.13 0.00 -0.26 0.00 0.00 58.87 55.51 2ske n SER 276 Cb 0.07 -0.49 -0.09 0.00 -0.26 0.00 0.00 64.21 63.44 2ske n SER 276 CO 0.00 0.00 0.00 -0.09 -0.16 0.00 0.00 175.04 174.79 2ske h ARG 277 N 1.22 0.17 -3.67 4.33 9.65 -1.56 -2.80 114.38 121.72 2ske h ARG 277 Ca 0.00 -0.09 -0.17 0.00 -1.10 0.00 0.00 59.98 58.62 2ske h ARG 277 Cb 1.26 0.01 -0.22 0.00 -1.39 0.00 0.00 29.97 29.63 2ske h ARG 277 CO 0.14 0.63 -0.59 0.54 2.80 0.00 0.00 179.97 183.49 2ske s VAL 278 N -4.19 0.07 0.12 0.20 0.11 -1.26 -1.45 120.40 114.01 2ske s VAL 278 Ca -0.15 -0.60 -0.27 0.00 -2.93 0.00 0.00 61.98 58.03 2ske s VAL 278 Cb 0.03 -0.30 -0.07 0.00 -1.53 0.00 0.00 36.38 34.51 2ske s VAL 278 CO 0.71 -0.33 0.84 -0.22 -3.33 0.00 0.00 175.10 172.77 2ske s LEU 279 N -1.06 4.53 -0.07 2.54 2.96 -0.96 -5.00 118.68 121.63 2ske s LEU 279 Ca -0.12 1.66 -0.30 0.00 -0.22 0.00 0.00 54.13 55.15 2ske s LEU 279 Cb -0.07 -3.38 -0.04 0.00 0.50 0.00 0.00 46.19 43.20 2ske s LEU 279 CO 0.00 0.08 1.38 -0.31 -1.32 0.00 0.00 176.35 176.18 2ske s TYR 280 N -0.54 2.71 0.00 5.38 1.51 -1.26 -4.84 117.35 120.32 2ske s TYR 280 Ca 0.40 0.80 0.00 0.00 -1.01 0.00 0.00 57.07 57.26 2ske s TYR 280 Cb -0.23 -3.63 0.00 0.00 -0.11 0.00 0.00 41.96 37.99 2ske s TYR 280 CO 0.27 -2.35 1.00 -0.35 -1.11 0.00 0.00 175.55 173.01 2ske n PRO 281 N 6.10 0.94 -3.46 -1.71 -0.04 -1.26 -4.88 135.00 130.69 2ske n PRO 281 Ca 0.14 0.00 -0.37 0.00 -0.04 0.00 0.00 63.50 63.23 2ske n PRO 281 Cb 0.44 -1.03 -0.07 0.00 -0.04 0.00 0.00 33.50 32.80 2ske n PRO 281 CO 0.00 0.00 0.00 -0.80 -0.04 0.00 0.00 175.50 174.66 2ske s ASN 282 N 1.06 6.44 -0.19 3.54 0.01 -1.26 -4.49 114.94 120.05 2ske s ASN 282 Ca 0.00 0.51 -0.02 0.00 -0.71 0.00 0.00 52.86 52.64 2ske s ASN 282 Cb 0.00 -2.21 -0.01 0.00 0.41 0.00 0.00 41.25 39.44 2ske s ASN 282 CO 0.00 0.01 -0.08 -0.62 -1.51 0.00 0.00 177.10 174.90 2ske s ASP 283 N 0.77 4.16 -1.43 -1.22 -1.08 -1.26 -4.63 116.67 111.98 2ske s ASP 283 Ca 0.18 -0.38 -0.03 0.00 -0.52 0.00 0.00 52.55 51.80 2ske s ASP 283 Cb -0.14 -1.68 0.03 0.00 -1.46 0.00 0.00 42.92 39.66 2ske s ASP 283 CO 0.06 0.05 0.58 0.59 0.52 0.00 0.00 175.17 176.97 2ske n ASN 284 N 4.33 -1.27 -3.66 -0.34 3.02 -1.26 -4.96 115.26 111.12 2ske n ASN 284 Ca -0.18 -0.94 -0.11 0.00 -0.03 0.00 0.00 54.58 53.32 2ske n ASN 284 Cb 0.51 -3.35 -0.08 0.00 -0.61 0.00 0.00 39.78 36.26 2ske n ASN 284 CO 0.00 0.00 0.00 0.12 -2.62 0.00 0.00 177.26 174.76 2ske s PHE 285 N -3.75 -0.81 -0.19 3.10 5.36 -1.26 -4.32 117.98 116.10 2ske s PHE 285 Ca 0.15 1.81 -0.07 0.00 -0.96 0.00 0.00 56.93 57.86 2ske s PHE 285 Cb -0.08 0.37 -0.04 0.00 -0.34 0.00 0.00 43.02 42.94 2ske s PHE 285 CO 0.87 -0.40 0.05 0.12 -1.46 0.00 0.00 175.22 174.40 2ske s PHE 286 N 0.89 3.18 -0.24 10.12 5.36 0.15 -4.86 117.98 132.58 2ske s PHE 286 Ca -0.04 -0.07 0.01 0.00 -0.96 0.00 0.00 56.93 55.87 2ske s PHE 286 Cb -0.05 -2.09 0.04 0.00 -0.34 0.00 0.00 43.02 40.58 2ske s PHE 286 CO -0.08 0.03 -0.11 -1.21 -1.46 0.00 0.00 175.22 172.39 2ske s GLU 287 N 0.60 2.61 -1.51 10.12 2.02 -1.26 -4.98 118.70 126.29 2ske s GLU 287 Ca 0.02 -1.11 -0.10 0.00 0.02 0.00 0.00 54.97 53.81 2ske s GLU 287 Cb -0.13 -2.85 -0.01 0.00 0.10 0.00 0.00 34.13 31.24 2ske s GLU 287 CO 0.02 -0.43 2.65 0.41 0.02 0.00 0.00 175.26 177.92 2ske n GLY 288 N 4.56 4.52 3.91 -1.39 0.00 -1.26 -4.93 105.19 110.59 2ske n GLY 288 Ca -0.16 -1.67 -0.30 0.00 0.00 0.00 0.00 46.02 43.88 2ske n GLY 288 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2ske s LYS 289 N 1.52 3.58 0.21 1.61 -0.14 -1.26 -5.01 119.74 120.25 2ske s LYS 289 Ca 0.61 -0.18 -0.06 0.00 -1.36 0.00 0.00 55.97 54.98 2ske s LYS 289 Cb 0.17 -2.85 0.16 0.00 -1.68 0.00 0.00 37.83 33.63 2ske s LYS 289 CO -0.07 0.45 1.66 1.49 -0.76 0.00 0.00 175.35 178.12 2ske h GLU 290 N 2.59 0.92 -0.93 1.68 4.81 -2.00 -2.87 114.58 118.77 2ske h GLU 290 Ca -0.46 -0.31 0.08 0.00 -0.13 0.00 0.00 59.36 58.54 2ske h GLU 290 Cb 1.17 -0.07 -0.07 0.00 0.63 0.00 0.00 28.75 30.41 2ske h GLU 290 CO 0.71 0.96 0.60 1.25 -0.73 0.00 0.00 179.01 181.81 2ske h LEU 291 N 0.83 0.90 -0.13 1.64 5.85 -1.98 -1.40 115.31 121.01 2ske h LEU 291 Ca 0.14 0.02 -0.01 0.00 0.84 0.00 0.00 57.88 58.86 2ske h LEU 291 Cb 0.60 -0.17 -0.01 0.00 0.37 0.00 0.00 40.66 41.46 2ske h LEU 291 CO 0.04 0.55 0.03 -0.09 -0.34 0.00 0.00 178.44 178.62 2ske h ARG 292 N 1.00 0.22 -0.56 1.25 1.12 -1.87 -1.91 114.38 113.63 2ske h ARG 292 Ca 0.42 -0.06 0.02 0.00 -1.11 0.00 0.00 59.98 59.25 2ske h ARG 292 Cb 0.30 -0.03 -0.03 0.00 -0.01 0.00 0.00 29.97 30.21 2ske h ARG 292 CO -0.18 0.40 0.37 1.25 -3.11 0.00 0.00 179.97 178.70 2ske h LEU 293 N 0.00 0.61 -0.66 3.80 5.85 -1.31 -0.68 115.31 122.92 2ske h LEU 293 Ca 0.04 -0.01 -0.11 0.00 0.84 0.00 0.00 57.88 58.63 2ske h LEU 293 Cb 0.28 -0.15 -0.02 0.00 0.37 0.00 0.00 40.66 41.15 2ske h LEU 293 CO 0.00 0.43 -0.19 0.11 -0.34 0.00 0.00 178.44 178.46 2ske h LYS 294 N 0.71 0.85 -0.54 1.25 1.57 -1.00 -1.26 116.57 118.15 2ske h LYS 294 Ca 0.21 -0.33 -0.10 0.00 -1.87 0.00 0.00 60.65 58.56 2ske h LYS 294 Cb -0.01 -0.04 -0.02 0.00 0.08 0.00 0.00 32.23 32.23 2ske h LYS 294 CO -0.05 0.96 -0.06 1.96 -0.57 0.00 0.00 179.45 181.69 2ske h GLN 295 N 0.74 0.99 -0.39 3.15 4.20 -0.51 -0.69 115.11 122.60 2ske h GLN 295 Ca 0.11 -0.35 -0.01 0.00 0.06 0.00 0.00 58.65 58.46 2ske h GLN 295 Cb 0.71 -0.07 -0.02 0.00 0.30 0.00 0.00 27.48 28.40 2ske h GLN 295 CO 0.05 1.02 0.19 0.93 -0.67 0.00 0.00 178.83 180.36 2ske h GLU 296 N 0.86 0.56 -0.09 1.46 5.08 -0.84 -1.82 114.58 119.80 2ske h GLU 296 Ca 0.15 -0.08 -0.16 0.00 -1.00 0.00 0.00 59.36 58.27 2ske h GLU 296 Cb 0.61 -0.10 -0.01 0.00 0.50 0.00 0.00 28.75 29.75 2ske h GLU 296 CO 0.04 0.50 -0.61 -0.92 -1.00 0.00 0.00 179.01 177.01 2ske h TYR 297 N 0.50 0.43 -0.25 4.33 3.20 -1.19 -2.99 116.97 120.99 2ske h TYR 297 Ca 0.13 -0.16 0.02 0.00 3.14 0.00 0.00 58.73 61.86 2ske h TYR 297 Cb 0.12 -0.08 -0.02 0.00 1.54 0.00 0.00 36.73 38.29 2ske h TYR 297 CO -0.01 0.86 0.11 0.35 -1.64 0.00 0.00 178.16 177.82 2ske h PHE 298 N 0.24 0.19 -0.26 -3.82 3.57 -0.79 0.17 116.94 116.25 2ske h PHE 298 Ca -0.01 0.01 -0.13 0.00 3.53 0.00 0.00 57.97 61.37 2ske h PHE 298 Cb 1.14 -0.05 -0.01 0.00 2.79 0.00 0.00 35.95 39.82 2ske h PHE 298 CO 0.03 0.10 -0.38 -0.24 -2.23 0.00 0.00 178.31 175.59 2ske h VAL 299 N 0.23 1.29 0.15 1.41 3.04 -1.38 -2.99 116.25 118.01 2ske h VAL 299 Ca 0.11 -1.54 -0.01 0.00 -1.01 0.00 0.00 66.70 64.25 2ske h VAL 299 Cb 0.06 1.51 0.00 0.00 -2.01 0.00 0.00 31.29 30.85 2ske h VAL 299 CO -0.09 0.49 -0.07 0.58 -1.01 0.00 0.00 177.57 177.46 2ske h VAL 300 N 0.49 0.98 -0.30 1.51 2.07 -1.32 -2.43 116.25 117.25 2ske h VAL 300 Ca 0.05 -0.71 0.00 0.00 0.82 0.00 0.00 66.70 66.86 2ske h VAL 300 Cb 0.89 1.41 -0.01 0.00 -1.52 0.00 0.00 31.29 32.05 2ske h VAL 300 CO 0.08 0.16 0.20 0.00 0.02 0.00 0.00 177.57 178.03 2ske h ALA 301 N 0.22 0.38 -0.28 1.67 0.00 -0.73 -1.71 119.26 118.80 2ske h ALA 301 Ca -0.02 -0.02 -0.05 0.00 0.00 0.00 0.00 54.91 54.81 2ske h ALA 301 Cb 0.42 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.08 2ske h ALA 301 CO 0.03 -0.16 -0.04 0.00 0.00 0.00 0.00 179.25 179.09 2ske h ALA 302 N 1.11 0.38 -0.68 0.00 0.00 -1.62 -2.94 119.26 115.51 2ske h ALA 302 Ca 0.11 -0.26 -0.02 0.00 0.00 0.00 0.00 54.91 54.74 2ske h ALA 302 Cb -0.05 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 17.61 2ske h ALA 302 CO -0.02 0.17 0.36 1.15 0.00 0.00 0.00 179.25 180.90 2ske h THR 303 N 0.29 1.22 -0.35 0.00 2.02 -1.39 -2.54 112.91 112.17 2ske h THR 303 Ca 0.08 -0.57 -0.09 0.00 0.77 0.00 0.00 66.41 66.59 2ske h THR 303 Cb 0.50 0.34 -0.02 0.00 -1.74 0.00 0.00 68.15 67.23 2ske h THR 303 CO 0.02 0.25 -0.17 -0.07 0.37 0.00 0.00 175.52 175.92 2ske h LEU 304 N 0.94 0.62 -0.79 2.58 3.38 -1.32 0.29 115.31 121.01 2ske h LEU 304 Ca 0.24 -0.19 -0.06 0.00 0.09 0.00 0.00 57.88 57.95 2ske h LEU 304 Cb 0.07 -0.17 -0.03 0.00 0.09 0.00 0.00 40.66 40.62 2ske h LEU 304 CO -0.04 0.81 0.20 1.56 0.09 0.00 0.00 178.44 181.06 2ske h GLN 305 N 0.57 1.10 -0.50 1.13 4.20 -1.32 -1.10 115.11 119.19 2ske h GLN 305 Ca 0.09 -0.24 -0.12 0.00 0.06 0.00 0.00 58.65 58.44 2ske h GLN 305 Cb 0.61 -0.16 -0.02 0.00 0.30 0.00 0.00 27.48 28.22 2ske h GLN 305 CO 0.04 0.95 -0.15 0.22 -0.67 0.00 0.00 178.83 179.23 2ske h ASP 306 N 1.05 0.98 -0.25 1.46 3.58 -1.02 -1.30 116.42 120.92 2ske h ASP 306 Ca 0.23 -0.33 -0.03 0.00 0.42 0.00 0.00 57.03 57.31 2ske h ASP 306 Cb 0.33 -0.27 -0.01 0.00 1.72 0.00 0.00 39.33 41.10 2ske h ASP 306 CO -0.00 1.11 0.04 0.40 -2.88 0.00 0.00 179.24 177.90 2ske h ILE 307 N 0.85 1.23 -0.55 2.25 2.04 -0.60 -2.50 117.51 120.24 2ske h ILE 307 Ca 0.13 -0.78 -0.09 0.00 1.00 0.00 0.00 64.86 65.12 2ske h ILE 307 Cb 0.70 1.26 -0.02 0.00 -0.74 0.00 0.00 36.82 38.02 2ske h ILE 307 CO 0.05 0.25 -0.02 0.40 0.00 0.00 0.00 178.15 178.83 2ske h ILE 308 N 0.23 1.26 -0.48 -0.67 2.04 -1.14 -1.43 117.51 117.32 2ske h ILE 308 Ca 0.08 -1.12 -0.00 0.00 1.00 0.00 0.00 64.86 64.81 2ske h ILE 308 Cb 0.33 0.86 -0.02 0.00 -0.74 0.00 0.00 36.82 37.25 2ske h ILE 308 CO 0.01 0.40 0.28 -0.09 0.00 0.00 0.00 178.15 178.75 2ske h ARG 309 N 0.87 0.65 -0.61 2.37 2.43 -1.20 0.29 114.38 119.18 2ske h ARG 309 Ca 0.16 -0.06 -0.05 0.00 -0.81 0.00 0.00 59.98 59.22 2ske h ARG 309 Cb 0.54 -0.13 -0.03 0.00 -0.42 0.00 0.00 29.97 29.92 2ske h ARG 309 CO 0.03 0.48 0.18 -0.09 -1.51 0.00 0.00 179.97 179.06 2ske h ARG 310 N 0.63 0.92 -0.27 0.20 2.43 -1.27 -2.81 114.38 114.20 2ske h ARG 310 Ca 0.17 -0.18 -0.10 0.00 -0.81 0.00 0.00 59.98 59.06 2ske h ARG 310 Cb 0.00 -0.14 -0.01 0.00 -0.42 0.00 0.00 29.97 29.40 2ske h ARG 310 CO -0.03 0.79 -0.23 0.35 -1.51 0.00 0.00 179.97 179.34 2ske h PHE 311 N 0.89 0.75 0.00 2.20 3.57 -0.57 -2.25 116.94 121.53 2ske h PHE 311 Ca 0.20 -0.22 0.00 0.00 3.53 0.00 0.00 57.97 61.48 2ske h PHE 311 Cb 0.26 -0.16 0.00 0.00 2.79 0.00 0.00 35.95 38.84 2ske h PHE 311 CO 0.02 0.93 0.01 0.87 -2.23 0.00 0.00 178.31 177.90 2ske h LYS 312 N 0.36 0.00 0.00 1.11 1.57 -0.21 -3.08 116.57 116.32 2ske h LYS 312 Ca 0.05 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.83 2ske h LYS 312 Cb 0.78 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.09 2ske h LYS 312 CO 0.06 0.00 -0.17 0.43 -0.57 0.00 0.00 179.45 179.20 2ske n SER 313 N -2.62 0.48 0.00 0.86 7.64 -1.09 -2.78 113.62 116.12 2ske n SER 313 Ca -0.02 0.27 0.00 0.00 1.01 0.00 0.00 58.87 60.13 2ske n SER 313 Cb 0.06 -0.59 0.00 0.00 -1.01 0.00 0.00 64.21 62.67 2ske n SER 313 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 2ske n SER 314 N -2.91 0.00 0.00 6.43 7.64 -0.86 -0.05 113.62 123.86 2ske n SER 314 Ca -0.02 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.86 2ske n SER 314 Cb 0.09 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.29 2ske n SER 314 CO 0.00 0.00 0.00 0.29 -3.01 0.00 0.00 175.04 172.32 2ske n LYS 315 N 1.98 -0.54 -0.00 1.43 4.01 -1.26 -4.56 118.16 119.22 2ske n LYS 315 Ca 0.00 -0.36 -0.10 0.00 -0.51 0.00 0.00 58.31 57.33 2ske n LYS 315 Cb 0.00 -0.83 -0.14 0.00 -0.51 0.00 0.00 35.03 33.55 2ske n LYS 315 CO 0.00 0.00 0.00 0.74 -1.11 0.00 0.00 177.40 177.03 2ske h PHE 316 N 0.00 0.08 -0.08 2.13 -1.00 -1.80 -2.74 116.94 113.54 2ske h PHE 316 Ca 0.00 -0.06 -0.08 0.00 2.81 0.00 0.00 57.97 60.64 2ske h PHE 316 Cb 0.19 -0.00 -0.03 0.00 3.61 0.00 0.00 35.95 39.72 2ske h PHE 316 CO 0.00 1.10 -0.00 0.41 -1.61 0.00 0.00 178.31 178.21 2ske n GLY 317 N 1.57 2.81 2.12 -1.45 0.00 0.93 -3.01 105.19 108.15 2ske n GLY 317 Ca -0.16 -0.36 0.00 0.00 0.00 0.00 0.00 46.02 45.51 2ske n GLY 317 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2ske n ARG 319 N -3.10 0.00 0.00 0.00 0.00 -1.03 -5.07 116.66 107.46 2ske n ARG 319 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.85 2ske n ARG 319 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 32.46 32.46 2ske n ARG 319 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.63 177.38 2ske n ASP 320 N 0.00 0.00 0.31 2.89 8.00 -1.25 -2.38 116.55 124.12 2ske n ASP 320 Ca 0.00 0.00 0.19 0.00 0.71 0.00 0.00 54.79 55.69 2ske n ASP 320 Cb 0.00 0.00 1.04 0.00 -0.02 0.00 0.00 41.12 42.14 2ske n ASP 320 CO 0.00 0.00 0.00 1.55 -0.39 0.00 0.00 177.20 178.36 2ske h PRO 321 N 0.00 0.00 -3.85 -0.24 0.13 -1.95 -3.47 132.00 122.62 2ske h PRO 321 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.13 2ske h PRO 321 Cb 0.00 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 31.09 2ske h PRO 321 CO 0.00 0.02 -0.75 0.28 -0.23 0.00 0.00 178.00 177.32 2ske n VAL 322 N -3.33 -8.70 0.00 1.56 0.31 -1.00 -5.07 118.33 102.10 2ske n VAL 322 Ca -0.02 1.73 0.00 0.00 -0.01 0.00 0.00 64.34 66.04 2ske n VAL 322 Cb 0.12 -5.04 0.00 0.00 -0.91 0.00 0.00 33.84 28.01 2ske n VAL 322 CO 0.00 0.00 0.00 -1.14 -1.32 0.00 0.00 176.83 174.37 2ske n ARG 323 N 1.02 0.00 -1.36 5.55 3.00 -1.26 -4.97 116.66 118.64 2ske n ARG 323 Ca -0.12 0.00 -0.09 0.00 -0.00 0.00 0.00 57.85 57.63 2ske n ARG 323 Cb 0.19 0.00 -0.08 0.00 0.00 0.00 0.00 32.46 32.57 2ske n ARG 323 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.63 180.04 2ske n THR 324 N 0.00 0.00 -3.14 5.15 -1.04 -1.26 -4.80 114.28 109.19 2ske n THR 324 Ca 0.00 -0.26 -0.42 0.00 -2.04 0.00 0.00 64.05 61.33 2ske n THR 324 Cb 0.00 -1.14 -0.07 0.00 -1.82 0.00 0.00 70.33 67.30 2ske n THR 324 CO 0.00 0.00 0.00 0.20 -0.64 0.00 0.00 175.07 174.63 2ske s ASN 325 N 5.09 6.35 0.00 8.00 0.02 -1.26 -4.90 114.94 128.24 2ske s ASN 325 Ca 0.56 -0.16 0.06 0.00 -1.02 0.00 0.00 52.86 52.30 2ske s ASN 325 Cb -0.09 -2.31 0.33 0.00 0.02 0.00 0.00 41.25 39.20 2ske s ASN 325 CO 0.14 -0.67 1.21 0.49 0.02 0.00 0.00 177.10 178.29 2ske n PHE 326 N 6.09 0.02 0.22 2.20 3.01 -1.26 -3.58 117.46 124.15 2ske n PHE 326 Ca -0.02 -0.01 0.06 0.00 1.01 0.00 0.00 57.45 58.49 2ske n PHE 326 Cb 0.48 0.00 0.49 0.00 -0.01 0.00 0.00 39.48 40.45 2ske n PHE 326 CO 0.00 0.00 0.00 -0.44 1.01 0.00 0.00 176.76 177.33 2ske h ASP 327 N 0.10 0.00 -0.10 4.37 3.32 -1.97 -1.23 116.42 120.91 2ske h ASP 327 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 2ske h ASP 327 Cb 0.02 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.57 2ske h ASP 327 CO 0.00 0.24 0.00 0.00 -1.72 0.00 0.00 179.24 177.76 2ske n ALA 328 N -2.43 2.52 -0.00 3.45 0.00 -1.24 -4.34 120.51 118.47 2ske n ALA 328 Ca -0.02 -0.57 -0.09 0.00 0.00 0.00 0.00 53.44 52.76 2ske n ALA 328 Cb 0.31 -1.05 -0.03 0.00 0.00 0.00 0.00 19.45 18.69 2ske n ALA 328 CO 0.00 0.00 0.00 0.35 0.00 0.00 0.00 177.50 177.85 2ske h PHE 329 N 3.01 -0.42 0.00 0.00 3.57 -1.45 -1.28 116.94 120.37 2ske h PHE 329 Ca 0.00 0.02 -0.00 0.00 3.53 0.00 0.00 57.97 61.52 2ske h PHE 329 Cb 0.65 0.21 -0.00 0.00 2.79 0.00 0.00 35.95 39.59 2ske h PHE 329 CO 0.05 -0.24 -0.01 -1.35 -2.23 0.00 0.00 178.31 174.53 2ske h PRO 330 N -0.21 0.00 0.00 6.41 0.11 -1.76 0.26 132.00 136.81 2ske h PRO 330 Ca 0.10 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.21 2ske h PRO 330 Cb 0.35 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.46 2ske h PRO 330 CO -0.25 0.01 -0.18 -0.25 -0.21 0.00 0.00 178.00 177.12 2ske n ASP 331 N -3.38 0.41 -0.00 -2.05 8.00 -0.51 -3.81 116.55 115.21 2ske n ASP 331 Ca -0.03 0.33 0.00 0.00 0.71 0.00 0.00 54.79 55.81 2ske n ASP 331 Cb 0.11 -0.35 -0.00 0.00 -0.02 0.00 0.00 41.12 40.85 2ske n ASP 331 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 2ske n LYS 332 N -1.79 2.54 -4.71 -1.24 4.76 -0.53 -4.59 118.16 112.59 2ske n LYS 332 Ca 0.06 -0.00 -0.23 0.00 -2.87 0.00 0.00 58.31 55.26 2ske n LYS 332 Cb 0.38 -0.83 -0.15 0.00 -1.84 0.00 0.00 35.03 32.59 2ske n LYS 332 CO 0.00 0.00 0.00 0.08 -1.37 0.00 0.00 177.40 176.11 2ske s VAL 333 N -1.67 1.20 -0.05 -0.18 1.01 0.81 -0.54 120.40 120.99 2ske s VAL 333 Ca -0.00 -0.65 -0.02 0.00 0.00 0.00 0.00 61.98 61.32 2ske s VAL 333 Cb 0.00 -1.00 0.03 0.00 0.00 0.00 0.00 36.38 35.42 2ske s VAL 333 CO 0.02 0.34 0.08 0.00 0.00 0.00 0.00 175.10 175.54 2ske s ALA 334 N -0.34 0.08 -0.16 5.51 0.00 -0.53 -4.53 121.76 121.79 2ske s ALA 334 Ca 0.05 0.33 0.01 0.00 0.00 0.00 0.00 51.96 52.36 2ske s ALA 334 Cb -0.06 -0.55 0.02 0.00 0.00 0.00 0.00 23.12 22.53 2ske s ALA 334 CO -0.00 -0.38 -0.20 0.96 0.00 0.00 0.00 175.76 176.14 2ske s ILE 335 N 1.83 2.01 -0.21 0.00 -4.36 -0.45 0.24 121.20 120.26 2ske s ILE 335 Ca -0.00 -0.92 -0.12 0.00 -0.26 0.00 0.00 60.65 59.35 2ske s ILE 335 Cb -0.12 -1.81 -0.05 0.00 1.25 0.00 0.00 42.46 41.73 2ske s ILE 335 CO -0.04 0.54 0.21 -1.58 0.24 0.00 0.00 174.94 174.30 2ske s GLN 336 N 1.16 4.14 -0.45 0.37 2.00 0.20 -2.21 119.66 124.87 2ske s GLN 336 Ca 0.01 -0.14 -0.19 0.00 -2.00 0.00 0.00 55.36 53.04 2ske s GLN 336 Cb -0.14 -3.50 0.03 0.00 0.80 0.00 0.00 33.01 30.21 2ske s GLN 336 CO -0.09 0.13 0.57 -0.51 -0.50 0.00 0.00 175.29 174.88 2ske s LEU 337 N 0.85 4.73 -0.93 3.68 1.02 0.58 -1.87 118.68 126.73 2ske s LEU 337 Ca 0.11 -0.59 -0.24 0.00 0.02 0.00 0.00 54.13 53.43 2ske s LEU 337 Cb -0.13 -2.55 0.05 0.00 0.02 0.00 0.00 46.19 43.58 2ske s LEU 337 CO 0.03 -0.74 1.38 0.21 0.02 0.00 0.00 176.35 177.25 2ske s ASN 338 N 2.10 6.40 0.23 2.29 2.47 -0.87 -1.66 114.94 125.90 2ske s ASN 338 Ca 0.17 -1.18 0.00 0.00 0.42 0.00 0.00 52.86 52.27 2ske s ASN 338 Cb -0.16 -2.56 0.00 0.00 -1.45 0.00 0.00 41.25 37.08 2ske s ASN 338 CO 0.16 -1.58 0.00 -0.67 -3.72 0.00 0.00 177.10 171.28 2ske n ASP 339 N 8.92 -1.67 -0.48 -4.21 -0.08 -0.73 -4.22 116.55 114.09 2ske n ASP 339 Ca 0.24 0.07 0.11 0.00 -1.51 0.00 0.00 54.79 53.70 2ske n ASP 339 Cb 0.50 -0.20 0.43 0.00 2.34 0.00 0.00 41.12 44.19 2ske n ASP 339 CO 0.00 0.00 0.00 0.35 0.12 0.00 0.00 177.20 177.67 2ske n THR 340 N -0.75 0.15 -0.35 5.18 -2.24 -1.26 -4.27 114.28 110.73 2ske n THR 340 Ca 0.00 -0.29 0.04 0.00 -2.27 0.00 0.00 64.05 61.53 2ske n THR 340 Cb 0.03 0.31 0.19 0.00 -2.10 0.00 0.00 70.33 68.77 2ske n THR 340 CO 0.00 0.00 0.00 0.45 -0.57 0.00 0.00 175.07 174.95 2ske h HIS 341 N 1.98 1.13 -0.52 4.78 3.86 -1.96 -1.40 115.15 123.01 2ske h HIS 341 Ca 0.00 0.03 0.00 0.00 -1.16 0.00 0.00 60.37 59.24 2ske h HIS 341 Cb 0.43 -0.36 0.00 0.00 1.06 0.00 0.00 27.41 28.54 2ske h HIS 341 CO 0.08 0.52 0.00 -0.35 0.86 0.00 0.00 177.93 179.03 2ske n PRO 342 N -4.58 4.53 0.23 2.45 -0.04 -1.26 -4.61 135.00 131.71 2ske n PRO 342 Ca 0.16 -2.84 0.18 0.00 -0.04 0.00 0.00 63.50 60.96 2ske n PRO 342 Cb 0.26 -2.19 0.87 0.00 -0.04 0.00 0.00 33.50 32.39 2ske n PRO 342 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 2ske h SER 343 N 3.61 0.00 0.40 3.54 4.64 -1.50 -1.35 113.55 122.89 2ske h SER 343 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2ske h SER 343 Cb 1.84 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.93 2ske h SER 343 CO 0.45 0.00 0.00 0.18 -0.87 0.00 0.00 176.83 176.59 2ske n LEU 344 N -3.57 0.11 0.14 5.97 4.77 -1.26 -1.92 117.00 121.23 2ske n LEU 344 Ca 0.01 0.53 0.05 0.00 -0.03 0.00 0.00 56.01 56.57 2ske n LEU 344 Cb 0.32 -0.52 0.51 0.00 -2.33 0.00 0.00 43.42 41.39 2ske n LEU 344 CO 0.24 -0.37 1.06 0.00 -1.33 0.00 0.00 177.39 176.99 2ske h ALA 345 N 2.34 1.78 0.72 -1.18 0.00 -1.61 -0.13 119.26 121.19 2ske h ALA 345 Ca 0.00 -0.06 -0.04 0.00 0.00 0.00 0.00 54.91 54.82 2ske h ALA 345 Cb 0.20 -0.08 0.01 0.00 0.00 0.00 0.00 17.79 17.92 2ske h ALA 345 CO 0.00 0.18 -0.35 0.82 0.00 0.00 0.00 179.25 179.90 2ske h ILE 346 N 0.25 0.00 0.00 0.00 2.04 -1.62 0.53 117.51 118.71 2ske h ILE 346 Ca 0.06 -0.28 -0.03 0.00 1.00 0.00 0.00 64.86 65.61 2ske h ILE 346 Cb 0.06 0.00 -0.00 0.00 -0.74 0.00 0.00 36.82 36.14 2ske h ILE 346 CO -0.01 0.00 -0.16 1.55 0.00 0.00 0.00 178.15 179.53 2ske h PRO 347 N -1.25 0.00 -0.19 2.37 0.13 -1.72 -2.40 132.00 128.94 2ske h PRO 347 Ca -0.10 0.00 -0.20 0.00 -0.87 0.00 0.00 66.00 64.83 2ske h PRO 347 Cb 0.74 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.88 2ske h PRO 347 CO 0.16 0.16 -0.68 1.49 -0.23 0.00 0.00 178.00 178.90 2ske h GLU 348 N 0.00 0.77 -0.51 0.86 4.57 -0.97 -0.04 114.58 119.26 2ske h GLU 348 Ca -0.00 -0.57 -0.06 0.00 -1.18 0.00 0.00 59.36 57.55 2ske h GLU 348 Cb 0.52 0.10 -0.02 0.00 -0.16 0.00 0.00 28.75 29.18 2ske h GLU 348 CO 0.02 1.19 0.09 1.25 -1.18 0.00 0.00 179.01 180.38 2ske h LEU 349 N 0.55 0.75 -0.30 1.64 5.85 -0.61 -1.68 115.31 121.50 2ske h LEU 349 Ca -0.02 -0.14 -0.06 0.00 0.84 0.00 0.00 57.88 58.49 2ske h LEU 349 Cb 1.29 -0.20 -0.01 0.00 0.37 0.00 0.00 40.66 42.12 2ske h LEU 349 CO 0.14 0.76 -0.04 0.24 -0.34 0.00 0.00 178.44 179.20 2ske h MET 350 N 0.76 0.56 -0.53 1.25 2.86 -1.26 -2.38 114.93 116.19 2ske h MET 350 Ca 0.16 -0.20 0.06 0.00 -2.06 0.00 0.00 59.70 57.66 2ske h MET 350 Cb 0.34 -0.04 -0.05 0.00 0.06 0.00 0.00 31.60 31.90 2ske h MET 350 CO 0.00 0.73 0.25 -0.09 1.06 0.00 0.00 176.91 178.86 2ske h ARG 351 N 0.34 0.46 0.37 1.72 2.43 -0.53 0.55 114.38 119.72 2ske h ARG 351 Ca 0.08 -0.03 -0.02 0.00 -0.81 0.00 0.00 59.98 59.21 2ske h ARG 351 Cb 0.50 -0.10 0.00 0.00 -0.42 0.00 0.00 29.97 29.95 2ske h ARG 351 CO 0.02 0.30 -0.18 0.28 -1.51 0.00 0.00 179.97 178.89 2ske h VAL 352 N 0.47 0.59 -0.72 0.20 2.07 -1.29 0.11 116.25 117.69 2ske h VAL 352 Ca 0.25 -0.51 0.09 0.00 0.82 0.00 0.00 66.70 67.34 2ske h VAL 352 Cb 0.20 0.83 -0.07 0.00 -1.52 0.00 0.00 31.29 30.74 2ske h VAL 352 CO -0.20 0.09 0.38 -0.07 0.02 0.00 0.00 177.57 177.79 2ske h LEU 353 N -0.81 0.52 0.00 2.57 3.38 -1.29 0.38 115.31 120.06 2ske h LEU 353 Ca -0.05 0.05 -0.00 0.00 0.09 0.00 0.00 57.88 57.97 2ske h LEU 353 Cb 0.53 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 41.24 2ske h LEU 353 CO 0.08 0.30 -0.00 0.58 0.09 0.00 0.00 178.44 179.50 2ske h VAL 354 N 0.65 0.28 -0.22 1.22 2.07 -0.91 0.76 116.25 120.09 2ske h VAL 354 Ca 0.35 -1.21 -0.15 0.00 0.82 0.00 0.00 66.70 66.51 2ske h VAL 354 Cb 0.33 0.53 -0.01 0.00 -1.52 0.00 0.00 31.29 30.62 2ske h VAL 354 CO -0.25 0.10 -0.49 0.44 0.02 0.00 0.00 177.57 177.39 2ske h ASP 355 N -1.00 0.65 0.00 0.57 3.32 -0.83 -2.72 116.42 116.42 2ske h ASP 355 Ca -0.00 -0.33 -0.35 0.00 0.02 0.00 0.00 57.03 56.38 2ske h ASP 355 Cb 0.16 -0.19 -0.05 0.00 0.22 0.00 0.00 39.33 39.47 2ske h ASP 355 CO 0.00 1.03 -2.13 0.18 -1.72 0.00 0.00 179.24 176.60 2ske n LEU 356 N -3.99 1.95 0.10 1.55 4.77 -0.03 -4.55 117.00 116.81 2ske n LEU 356 Ca -0.03 0.34 0.13 0.00 -0.03 0.00 0.00 56.01 56.43 2ske n LEU 356 Cb 0.57 -0.80 0.41 0.00 -2.33 0.00 0.00 43.42 41.27 2ske n LEU 356 CO 0.47 0.36 0.89 -0.62 -1.33 0.00 0.00 177.39 177.15 2ske n GLU 357 N -4.31 0.26 -3.29 3.23 -0.58 -0.32 -4.97 120.64 110.67 2ske n GLU 357 Ca -0.44 0.22 -0.17 0.00 -0.42 0.00 0.00 57.16 56.34 2ske n GLU 357 Cb 0.79 -1.80 0.06 0.00 -0.57 0.00 0.00 31.44 29.92 2ske n GLU 357 CO 0.00 0.00 0.00 0.54 -0.48 0.00 0.00 177.13 177.19 2ske n ARG 358 N -2.25 -5.79 -2.51 3.49 1.74 -0.38 -4.96 116.66 106.00 2ske n ARG 358 Ca 0.05 0.61 -0.28 0.00 -0.77 0.00 0.00 57.85 57.46 2ske n ARG 358 Cb 0.42 -4.97 0.00 0.00 -1.02 0.00 0.00 32.46 26.89 2ske n ARG 358 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 2ske s LEU 359 N -5.59 3.53 0.49 0.55 1.02 0.12 -4.98 118.68 113.83 2ske s LEU 359 Ca 0.41 0.97 -0.19 0.00 0.02 0.00 0.00 54.13 55.33 2ske s LEU 359 Cb -0.18 -3.92 -0.08 0.00 0.02 0.00 0.00 46.19 42.03 2ske s LEU 359 CO 0.53 -0.67 1.01 1.51 0.02 0.00 0.00 176.35 178.75 2ske s ASP 360 N -4.14 6.46 0.15 2.29 -4.77 -1.26 -4.49 116.67 110.92 2ske s ASP 360 Ca 0.49 1.79 -0.29 0.00 -3.30 0.00 0.00 52.55 51.24 2ske s ASP 360 Cb -0.10 -2.54 -0.03 0.00 -1.09 0.00 0.00 42.92 39.15 2ske s ASP 360 CO 0.46 -0.70 1.56 -0.25 0.70 0.00 0.00 175.17 176.94 2ske h TRP 361 N 1.39 -1.52 -0.63 2.11 2.91 -1.97 -0.89 115.95 117.35 2ske h TRP 361 Ca -0.49 0.09 0.05 0.00 1.13 0.00 0.00 58.89 59.67 2ske h TRP 361 Cb 1.20 0.74 -0.04 0.00 -0.51 0.00 0.00 29.16 30.56 2ske h TRP 361 CO 0.59 -0.44 0.42 -0.44 -1.03 0.00 0.00 178.44 177.54 2ske h ASP 362 N -0.26 0.59 -0.17 2.65 3.32 -1.99 0.27 116.42 120.83 2ske h ASP 362 Ca 0.14 -0.00 -0.17 0.00 0.02 0.00 0.00 57.03 57.01 2ske h ASP 362 Cb 0.56 -0.13 0.01 0.00 0.22 0.00 0.00 39.33 39.98 2ske h ASP 362 CO -0.69 0.39 -0.57 0.50 -1.72 0.00 0.00 179.24 177.16 2ske h LYS 363 N 0.68 0.69 -0.34 3.56 3.11 -1.81 -2.06 116.57 120.41 2ske h LYS 363 Ca 0.27 -0.51 -0.01 0.00 -2.81 0.00 0.00 60.65 57.59 2ske h LYS 363 Cb 0.19 0.09 -0.02 0.00 -1.00 0.00 0.00 32.23 31.49 2ske h LYS 363 CO -0.08 1.13 0.19 0.00 -2.81 0.00 0.00 179.45 177.88 2ske h ALA 364 N 0.56 0.43 -0.60 5.00 0.00 -0.35 -1.88 119.26 122.42 2ske h ALA 364 Ca -0.02 -0.07 -0.01 0.00 0.00 0.00 0.00 54.91 54.80 2ske h ALA 364 Cb 1.19 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 18.82 2ske h ALA 364 CO 0.12 -0.04 0.33 2.35 0.00 0.00 0.00 179.25 182.00 2ske h TRP 365 N 0.42 0.83 -0.76 0.00 2.91 -0.50 -0.01 115.95 118.84 2ske h TRP 365 Ca 0.12 -0.02 0.02 0.00 1.13 0.00 0.00 58.89 60.14 2ske h TRP 365 Cb 0.06 -0.26 -0.04 0.00 -0.51 0.00 0.00 29.16 28.40 2ske h TRP 365 CO -0.03 0.60 0.49 1.49 -1.03 0.00 0.00 178.44 179.96 2ske h GLU 366 N 0.81 0.95 -0.20 2.65 4.81 -1.17 -0.01 114.58 122.42 2ske h GLU 366 Ca 0.21 -0.06 -0.02 0.00 -0.13 0.00 0.00 59.36 59.36 2ske h GLU 366 Cb 0.05 -0.21 -0.01 0.00 0.63 0.00 0.00 28.75 29.21 2ske h GLU 366 CO -0.03 0.63 0.04 0.28 -0.73 0.00 0.00 179.01 179.20 2ske h VAL 367 N 0.98 1.22 -0.60 0.32 2.07 -0.91 -2.27 116.25 117.06 2ske h VAL 367 Ca 0.29 -0.71 -0.02 0.00 0.82 0.00 0.00 66.70 67.08 2ske h VAL 367 Cb -0.05 1.30 -0.03 0.00 -1.52 0.00 0.00 31.29 30.99 2ske h VAL 367 CO -0.09 0.22 0.30 0.74 0.02 0.00 0.00 177.57 178.76 2ske h THR 368 N 0.14 1.21 -0.42 2.57 2.02 -0.59 -2.20 112.91 115.63 2ske h THR 368 Ca 0.06 -0.56 -0.08 0.00 0.77 0.00 0.00 66.41 66.60 2ske h THR 368 Cb 0.30 0.48 -0.02 0.00 -1.74 0.00 0.00 68.15 67.17 2ske h THR 368 CO 0.00 0.23 -0.08 0.58 0.37 0.00 0.00 175.52 176.62 2ske h VAL 369 N 0.81 1.25 0.00 3.16 2.07 -1.01 -2.33 116.25 120.21 2ske h VAL 369 Ca 0.21 -1.09 0.00 0.00 0.82 0.00 0.00 66.70 66.64 2ske h VAL 369 Cb 0.10 1.01 0.00 0.00 -1.52 0.00 0.00 31.29 30.88 2ske h VAL 369 CO -0.03 0.37 0.00 0.11 0.02 0.00 0.00 177.57 178.04 2ske h LYS 370 N 0.67 0.00 0.00 1.57 1.57 -1.13 -2.31 116.57 116.94 2ske h LYS 370 Ca 0.12 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.90 2ske h LYS 370 Cb 0.53 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.84 2ske h LYS 370 CO 0.03 0.00 -1.63 0.25 -0.57 0.00 0.00 179.45 177.53 2ske n THR 371 N -2.98 0.00 -3.78 -0.16 -2.24 -0.85 -4.89 114.28 99.38 2ske n THR 371 Ca 0.02 -0.35 -0.37 0.00 -2.27 0.00 0.00 64.05 61.08 2ske n THR 371 Cb 0.39 0.25 -0.06 0.00 -2.10 0.00 0.00 70.33 68.82 2ske n THR 371 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2ske s ALA 373 N -1.06 0.18 -0.02 0.00 0.00 -0.94 -1.68 121.76 118.25 2ske s ALA 373 Ca 0.18 -0.25 0.08 0.00 0.00 0.00 0.00 51.96 51.96 2ske s ALA 373 Cb -0.13 0.01 -0.02 0.00 0.00 0.00 0.00 23.12 22.98 2ske s ALA 373 CO 0.07 -0.01 -0.25 -0.47 0.00 0.00 0.00 175.76 175.10 2ske s TYR 374 N -0.47 2.31 -0.18 0.00 5.04 -0.48 -0.31 117.35 123.25 2ske s TYR 374 Ca -0.04 -0.47 -0.01 0.00 -2.44 0.00 0.00 57.07 54.11 2ske s TYR 374 Cb -0.04 -1.49 0.00 0.00 0.35 0.00 0.00 41.96 40.79 2ske s TYR 374 CO -0.00 -0.06 -0.13 0.99 -1.34 0.00 0.00 175.55 175.01 2ske s THR 375 N -0.54 2.76 -0.01 4.34 2.01 -0.67 -1.99 115.64 121.55 2ske s THR 375 Ca 0.08 -0.72 -0.13 0.00 0.31 0.00 0.00 61.69 61.23 2ske s THR 375 Cb -0.10 -2.20 -0.05 0.00 0.01 0.00 0.00 72.50 70.15 2ske s THR 375 CO -0.00 0.49 0.36 0.21 -0.69 0.00 0.00 174.62 174.99 2ske s ASN 376 N 1.13 6.72 0.00 3.53 3.84 -0.72 -1.77 114.94 127.67 2ske s ASN 376 Ca 0.01 0.86 0.02 0.00 0.21 0.00 0.00 52.86 53.96 2ske s ASN 376 Cb -0.14 -2.21 0.01 0.00 -0.55 0.00 0.00 41.25 38.35 2ske s ASN 376 CO -0.04 0.33 0.44 1.41 -2.79 0.00 0.00 177.10 176.45 2ske n HIS 377 N 1.77 0.00 -3.49 0.43 8.25 -1.26 -4.11 115.22 116.81 2ske n HIS 377 Ca -0.15 0.00 -0.10 0.00 -0.26 0.00 0.00 57.72 57.21 2ske n HIS 377 Cb 0.53 0.00 -0.02 0.00 1.12 0.00 0.00 29.99 31.62 2ske n HIS 377 CO 0.00 0.00 0.00 -0.08 0.64 0.00 0.00 176.34 176.90 2ske s THR 378 N -0.48 0.00 -0.24 1.59 -1.32 -1.26 -4.49 115.64 109.44 2ske s THR 378 Ca 0.02 -0.10 0.03 0.00 -1.21 0.00 0.00 61.69 60.43 2ske s THR 378 Cb 0.02 -1.11 -0.00 0.00 -1.51 0.00 0.00 72.50 69.90 2ske s THR 378 CO 0.05 0.00 0.36 1.33 -2.21 0.00 0.00 174.62 174.14 2ske n VAL 379 N -0.35 0.00 -2.51 5.08 0.24 -1.26 -5.01 118.33 114.53 2ske n VAL 379 Ca -0.13 -0.47 -0.42 0.00 -2.04 0.00 0.00 64.34 61.28 2ske n VAL 379 Cb 0.63 1.03 -0.03 0.00 -1.47 0.00 0.00 33.84 34.00 2ske n VAL 379 CO 0.00 0.00 0.00 0.27 -2.14 0.00 0.00 176.83 174.96 2ske s ILE 380 N -0.72 4.18 0.31 1.34 -4.36 -1.26 -4.94 121.20 115.75 2ske s ILE 380 Ca 0.02 1.63 0.06 0.00 -0.26 0.00 0.00 60.65 62.10 2ske s ILE 380 Cb 0.02 -4.04 0.31 0.00 1.25 0.00 0.00 42.46 40.00 2ske s ILE 380 CO 0.07 0.16 1.81 1.55 0.24 0.00 0.00 174.94 178.77 2ske h PRO 381 N 6.41 0.77 0.00 0.37 0.13 -1.98 -1.90 132.00 135.79 2ske h PRO 381 Ca -0.42 -0.05 0.00 0.00 -0.87 0.00 0.00 66.00 64.66 2ske h PRO 381 Cb 1.21 -0.17 0.00 0.00 0.13 0.00 0.00 31.00 32.17 2ske h PRO 381 CO 0.78 0.51 0.00 -0.85 -0.23 0.00 0.00 178.00 178.20 2ske n GLU 382 N -4.67 0.00 0.00 0.86 0.00 -1.26 -2.20 120.64 113.37 2ske n GLU 382 Ca 0.21 0.23 0.11 0.00 0.00 0.00 0.00 57.16 57.71 2ske n GLU 382 Cb 0.51 -1.50 0.02 0.00 0.00 0.00 0.00 31.44 30.47 2ske n GLU 382 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 2ske n ALA 383 N -1.50 4.28 -2.15 -1.84 0.00 -0.72 -0.68 120.51 117.91 2ske n ALA 383 Ca 0.04 -0.51 -0.41 0.00 0.00 0.00 0.00 53.44 52.55 2ske n ALA 383 Cb 0.19 -0.90 -0.04 0.00 0.00 0.00 0.00 19.45 18.70 2ske n ALA 383 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 2ske s LEU 384 N -2.97 4.47 -0.42 0.00 2.01 -0.93 -4.48 118.68 116.36 2ske s LEU 384 Ca 0.10 2.03 -0.24 0.00 0.01 0.00 0.00 54.13 56.02 2ske s LEU 384 Cb 0.17 -3.60 0.02 0.00 0.01 0.00 0.00 46.19 42.79 2ske s LEU 384 CO 0.80 -0.23 0.86 -1.61 1.01 0.00 0.00 176.35 177.18 2ske s GLU 385 N -0.13 3.61 -0.35 1.70 2.02 -1.26 -4.76 118.70 119.53 2ske s GLU 385 Ca 0.50 0.21 0.01 0.00 0.02 0.00 0.00 54.97 55.71 2ske s GLU 385 Cb -0.28 -3.88 0.11 0.00 0.10 0.00 0.00 34.13 30.17 2ske s GLU 385 CO 0.33 -1.07 0.12 1.03 0.02 0.00 0.00 175.26 175.69 2ske s ARG 386 N 3.46 1.05 -0.14 1.61 0.52 -1.26 -1.99 118.95 122.19 2ske s ARG 386 Ca 0.34 -1.49 -0.25 0.00 -0.52 0.00 0.00 55.73 53.82 2ske s ARG 386 Cb -0.12 -2.40 -0.02 0.00 0.52 0.00 0.00 34.95 32.93 2ske s ARG 386 CO 0.22 -1.01 0.79 -1.58 0.02 0.00 0.00 175.30 173.74 2ske s TRP 387 N 1.15 3.46 0.20 -0.53 0.52 -0.80 -4.73 118.94 118.22 2ske s TRP 387 Ca 0.12 1.25 -0.33 0.00 0.02 0.00 0.00 56.10 57.16 2ske s TRP 387 Cb -0.19 -2.96 -0.13 0.00 -1.15 0.00 0.00 33.47 29.04 2ske s TRP 387 CO -0.16 -0.15 1.57 -2.30 0.02 0.00 0.00 176.95 175.93 2ske n PRO 388 N 4.85 2.30 -0.29 4.98 -0.02 -1.26 -0.74 135.00 144.81 2ske n PRO 388 Ca 0.03 0.83 0.06 0.00 -2.02 0.00 0.00 63.50 62.39 2ske n PRO 388 Cb 0.49 -2.59 0.27 0.00 -0.02 0.00 0.00 33.50 31.66 2ske n PRO 388 CO 0.00 0.00 0.00 0.28 1.98 0.00 0.00 175.50 177.76 2ske h VAL 389 N 3.51 1.02 -0.00 -1.45 2.07 -1.32 -1.71 116.25 118.36 2ske h VAL 389 Ca -0.45 -0.33 0.00 0.00 0.82 0.00 0.00 66.70 66.75 2ske h VAL 389 Cb 1.25 -0.02 -0.00 0.00 -1.52 0.00 0.00 31.29 31.00 2ske h VAL 389 CO 0.86 0.17 0.00 1.12 0.02 0.00 0.00 177.57 179.75 2ske h HIS 390 N 0.95 0.00 0.00 1.57 2.07 -1.90 0.26 115.15 118.11 2ske h HIS 390 Ca 0.40 0.00 -0.06 0.00 -2.85 0.00 0.00 60.37 57.86 2ske h HIS 390 Cb 0.30 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.29 2ske h HIS 390 CO -0.00 0.00 -0.23 -0.07 -3.07 0.00 0.00 177.93 174.56 2ske h LEU 391 N 0.00 0.20 -1.00 6.12 3.38 -1.68 -2.99 115.31 119.34 2ske h LEU 391 Ca 0.00 -0.79 -0.05 0.00 0.09 0.00 0.00 57.88 57.13 2ske h LEU 391 Cb 0.00 -0.06 -0.02 0.00 0.09 0.00 0.00 40.66 40.67 2ske h LEU 391 CO -0.00 0.96 0.12 -0.07 0.09 0.00 0.00 178.44 179.54 2ske h LEU 392 N -0.54 0.78 -0.90 1.67 3.38 -1.24 -1.59 115.31 116.87 2ske h LEU 392 Ca -0.03 -0.15 0.03 0.00 0.09 0.00 0.00 57.88 57.82 2ske h LEU 392 Cb 1.00 -0.21 -0.05 0.00 0.09 0.00 0.00 40.66 41.49 2ske h LEU 392 CO 0.05 0.78 0.59 -0.08 0.09 0.00 0.00 178.44 179.87 2ske h GLU 393 N 0.80 1.13 0.16 1.13 4.81 -0.57 0.01 114.58 122.06 2ske h GLU 393 Ca 0.17 -0.07 -0.29 0.00 -0.13 0.00 0.00 59.36 59.04 2ske h GLU 393 Cb 0.32 -0.26 0.01 0.00 0.63 0.00 0.00 28.75 29.45 2ske h GLU 393 CO 0.00 0.75 -1.44 1.15 -0.73 0.00 0.00 179.01 178.75 2ske h THR 394 N 1.17 1.10 0.17 0.32 2.02 -1.36 -3.32 112.91 113.01 2ske h THR 394 Ca 0.35 -2.49 -0.30 0.00 0.77 0.00 0.00 66.41 64.74 2ske h THR 394 Cb -0.05 2.84 0.01 0.00 -1.74 0.00 0.00 68.15 69.22 2ske h THR 394 CO -0.10 0.77 -1.45 0.25 0.37 0.00 0.00 175.52 175.35 2ske h LEU 395 N -0.14 0.56 -6.09 2.58 5.85 -1.31 -3.38 115.31 113.38 2ske h LEU 395 Ca -0.29 -0.91 -0.57 0.00 0.84 0.00 0.00 57.88 56.95 2ske h LEU 395 Cb 1.90 -0.18 -0.40 0.00 0.37 0.00 0.00 40.66 42.35 2ske h LEU 395 CO 0.14 1.66 -0.97 0.18 -0.34 0.00 0.00 178.44 179.10 2ske n LEU 396 N -3.81 1.00 -0.28 2.25 4.77 -0.02 -0.05 117.00 120.86 2ske n LEU 396 Ca -0.22 -4.85 0.04 0.00 -0.03 0.00 0.00 56.01 50.95 2ske n LEU 396 Cb 0.98 0.31 0.19 0.00 -2.33 0.00 0.00 43.42 42.57 2ske n LEU 396 CO 0.49 2.05 1.10 1.55 -1.33 0.00 0.00 177.39 181.25 2ske h PRO 397 N 4.17 0.65 -0.01 3.23 0.13 -1.64 -2.39 132.00 136.13 2ske h PRO 397 Ca 0.11 -0.04 -0.14 0.00 -0.87 0.00 0.00 66.00 65.07 2ske h PRO 397 Cb 0.83 -0.15 -0.02 0.00 0.13 0.00 0.00 31.00 31.80 2ske h PRO 397 CO 0.55 0.43 -0.64 -0.09 -0.23 0.00 0.00 178.00 178.02 2ske h ARG 398 N 0.67 0.05 -0.14 0.86 9.65 -1.91 -3.04 114.38 120.52 2ske h ARG 398 Ca 0.42 -0.04 -0.12 0.00 -1.10 0.00 0.00 59.98 59.14 2ske h ARG 398 Cb 0.50 0.01 -0.01 0.00 -1.39 0.00 0.00 29.97 29.07 2ske h ARG 398 CO -0.31 0.67 -0.42 0.45 2.80 0.00 0.00 179.97 183.17 2ske h HIS 399 N 0.04 0.37 -0.57 2.20 3.86 -1.80 -1.75 115.15 117.50 2ske h HIS 399 Ca -0.01 -0.11 -0.08 0.00 -1.16 0.00 0.00 60.37 59.02 2ske h HIS 399 Cb 1.14 -0.08 -0.02 0.00 1.06 0.00 0.00 27.41 29.51 2ske h HIS 399 CO 0.00 0.69 0.04 1.25 0.86 0.00 0.00 177.93 180.78 2ske h LEU 400 N 0.26 0.96 -0.43 2.43 6.46 -1.41 0.22 115.31 123.80 2ske h LEU 400 Ca 0.02 -0.29 -0.02 0.00 -0.12 0.00 0.00 57.88 57.48 2ske h LEU 400 Cb 0.86 -0.26 -0.02 0.00 -0.73 0.00 0.00 40.66 40.51 2ske h LEU 400 CO 0.07 1.01 0.19 1.56 -0.62 0.00 0.00 178.44 180.65 2ske h GLN 401 N 0.87 0.63 -0.70 1.25 4.20 -1.38 -0.29 115.11 119.69 2ske h GLN 401 Ca 0.17 -0.10 -0.03 0.00 0.06 0.00 0.00 58.65 58.75 2ske h GLN 401 Cb 0.49 -0.11 -0.03 0.00 0.30 0.00 0.00 27.48 28.13 2ske h GLN 401 CO 0.02 0.55 0.33 0.82 -0.67 0.00 0.00 178.83 179.88 2ske h ILE 402 N 0.55 1.23 -0.70 2.54 2.04 -1.08 -1.45 117.51 120.64 2ske h ILE 402 Ca 0.15 -0.67 -0.05 0.00 1.00 0.00 0.00 64.86 65.28 2ske h ILE 402 Cb 0.14 0.38 -0.03 0.00 -0.74 0.00 0.00 36.82 36.57 2ske h ILE 402 CO -0.02 0.28 0.24 0.40 0.00 0.00 0.00 178.15 179.05 2ske h ILE 403 N 0.99 1.25 -0.50 -0.67 2.04 -0.57 0.33 117.51 120.38 2ske h ILE 403 Ca 0.24 -0.83 -0.09 0.00 1.00 0.00 0.00 64.86 65.18 2ske h ILE 403 Cb 0.13 0.46 -0.02 0.00 -0.74 0.00 0.00 36.82 36.65 2ske h ILE 403 CO -0.03 0.33 -0.05 1.88 0.00 0.00 0.00 178.15 180.28 2ske h TYR 404 N 1.02 0.95 -0.13 1.37 0.05 -0.63 -0.58 116.97 119.02 2ske h TYR 404 Ca 0.23 -0.16 -0.15 0.00 0.05 0.00 0.00 58.73 58.70 2ske h TYR 404 Cb 0.26 -0.25 -0.01 0.00 1.01 0.00 0.00 36.73 37.74 2ske h TYR 404 CO 0.02 0.89 -0.55 1.49 -1.05 0.00 0.00 178.16 178.95 2ske h GLU 405 N 0.80 0.39 -0.32 4.88 4.57 -0.84 -0.69 114.58 123.36 2ske h GLU 405 Ca 0.14 -0.25 -0.09 0.00 -1.18 0.00 0.00 59.36 57.98 2ske h GLU 405 Cb 0.55 0.03 -0.01 0.00 -0.16 0.00 0.00 28.75 29.16 2ske h GLU 405 CO 0.03 0.84 -0.16 0.82 -1.18 0.00 0.00 179.01 179.37 2ske h ILE 406 N 0.30 1.29 -0.12 2.32 2.04 -0.61 -2.59 117.51 120.14 2ske h ILE 406 Ca 0.00 -1.27 -0.00 0.00 1.00 0.00 0.00 64.86 64.59 2ske h ILE 406 Cb 1.06 1.44 -0.01 0.00 -0.74 0.00 0.00 36.82 38.57 2ske h ILE 406 CO 0.09 0.41 0.08 -1.13 0.00 0.00 0.00 178.15 177.60 2ske h ASN 407 N 0.43 0.15 -0.24 1.72 -1.24 -0.98 -1.03 115.58 114.40 2ske h ASN 407 Ca 0.07 -0.04 0.06 0.00 0.71 0.00 0.00 56.30 57.10 2ske h ASN 407 Cb 0.69 -0.04 -0.07 0.00 0.73 0.00 0.00 38.32 39.63 2ske h ASN 407 CO 0.05 0.15 -0.24 -0.61 -1.29 0.00 0.00 177.43 175.49 2ske h GLN 408 N 0.14 -0.24 0.00 6.67 4.15 -1.05 0.33 115.11 125.11 2ske h GLN 408 Ca 0.04 0.02 -0.11 0.00 0.77 0.00 0.00 58.65 59.37 2ske h GLN 408 Cb 0.03 0.05 -0.02 0.00 0.21 0.00 0.00 27.48 27.76 2ske h GLN 408 CO -0.01 -0.16 -0.53 0.00 -1.93 0.00 0.00 178.83 176.20 2ske h ARG 409 N -0.25 0.00 -0.00 1.69 3.08 -1.40 -2.61 114.38 114.89 2ske h ARG 409 Ca 0.14 0.00 -0.00 0.00 0.07 0.00 0.00 59.98 60.19 2ske h ARG 409 Cb 0.46 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.51 2ske h ARG 409 CO -0.38 0.53 -0.00 0.35 -1.07 0.00 0.00 179.97 179.40 2ske h PHE 410 N 0.00 0.00 -0.18 3.04 3.57 -0.57 -2.94 116.94 119.86 2ske h PHE 410 Ca -0.01 -0.00 0.01 0.00 3.53 0.00 0.00 57.97 61.51 2ske h PHE 410 Cb 0.98 -0.00 -0.01 0.00 2.79 0.00 0.00 35.95 39.71 2ske h PHE 410 CO 0.00 0.51 0.12 -0.07 -2.23 0.00 0.00 178.31 176.64 2ske h LEU 411 N -0.51 0.17 -1.28 0.59 3.38 -0.96 0.12 115.31 116.82 2ske h LEU 411 Ca 0.00 -0.00 -0.07 0.00 0.09 0.00 0.00 57.88 57.89 2ske h LEU 411 Cb 0.51 -0.04 -0.01 0.00 0.09 0.00 0.00 40.66 41.20 2ske h LEU 411 CO 0.00 0.12 -0.35 0.78 0.09 0.00 0.00 178.44 179.08 2ske h ASN 412 N 0.20 0.00 -0.24 -0.43 -0.26 -1.42 0.43 115.58 113.86 2ske h ASN 412 Ca 0.07 0.00 -0.18 0.00 -0.56 0.00 0.00 56.30 55.63 2ske h ASN 412 Cb 0.04 0.00 -0.00 0.00 -1.06 0.00 0.00 38.32 37.29 2ske h ASN 412 CO -0.01 0.35 -0.51 0.03 -1.06 0.00 0.00 177.43 176.23 2ske h ARG 413 N 0.00 0.83 0.20 0.81 3.08 -0.62 -2.44 114.38 116.24 2ske h ARG 413 Ca -0.00 -0.50 -0.01 0.00 0.07 0.00 0.00 59.98 59.53 2ske h ARG 413 Cb 0.66 0.05 0.00 0.00 0.08 0.00 0.00 29.97 30.76 2ske h ARG 413 CO 0.05 1.14 -0.10 0.28 -1.07 0.00 0.00 179.97 180.27 2ske h VAL 414 N 0.65 0.89 -0.79 2.04 2.07 -0.57 -2.18 116.25 118.36 2ske h VAL 414 Ca 0.02 -0.68 0.13 0.00 0.82 0.00 0.00 66.70 67.00 2ske h VAL 414 Cb 1.10 1.28 -0.06 0.00 -1.52 0.00 0.00 31.29 32.10 2ske h VAL 414 CO 0.11 0.15 0.52 0.00 0.02 0.00 0.00 177.57 178.37 2ske h ALA 415 N 0.08 1.92 0.00 1.67 0.00 -0.99 0.42 119.26 122.37 2ske h ALA 415 Ca -0.03 0.00 -0.10 0.00 0.00 0.00 0.00 54.91 54.79 2ske h ALA 415 Cb 0.45 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.12 2ske h ALA 415 CO 0.05 -0.12 -0.46 0.00 0.00 0.00 0.00 179.25 178.71 2ske h ALA 416 N 1.62 1.00 0.14 0.00 0.00 -1.29 -2.65 119.26 118.08 2ske h ALA 416 Ca 0.38 -0.42 -0.34 0.00 0.00 0.00 0.00 54.91 54.54 2ske h ALA 416 Cb 0.67 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 18.38 2ske h ALA 416 CO -0.15 0.58 -1.72 0.00 0.00 0.00 0.00 179.25 177.96 2ske h ALA 417 N 1.54 0.29 -2.32 0.00 0.00 -0.09 -3.40 119.26 115.28 2ske h ALA 417 Ca -0.00 -1.20 -0.60 0.00 0.00 0.00 0.00 54.91 53.11 2ske h ALA 417 Cb 0.96 0.45 -0.41 0.00 0.00 0.00 0.00 17.79 18.79 2ske h ALA 417 CO 0.06 1.16 -0.71 1.19 0.00 0.00 0.00 179.25 180.95 2ske n PHE 418 N -3.49 2.59 -1.65 0.00 3.72 0.12 -5.09 117.46 113.66 2ske n PHE 418 Ca -0.23 -4.03 -0.48 0.00 -0.05 0.00 0.00 57.45 52.66 2ske n PHE 418 Cb 1.06 -0.49 -0.05 0.00 -0.94 0.00 0.00 39.48 39.06 2ske n PHE 418 CO 0.00 0.00 0.00 -2.30 -0.05 0.00 0.00 176.76 174.41 2ske n PRO 419 N 1.25 1.83 0.00 -1.08 -0.02 -1.00 -1.82 135.00 134.15 2ske n PRO 419 Ca 0.27 0.66 0.00 0.00 -2.02 0.00 0.00 63.50 62.41 2ske n PRO 419 Cb 0.43 -2.40 0.00 0.00 -0.02 0.00 0.00 33.50 31.51 2ske n PRO 419 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2ske n GLY 420 N 3.30 2.92 3.57 -1.23 0.00 -1.26 -4.94 105.19 107.56 2ske n GLY 420 Ca 0.18 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.87 2ske n GLY 420 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2ske n ASP 421 N 0.00 3.65 0.20 1.61 -0.08 -0.76 -4.75 116.55 116.43 2ske n ASP 421 Ca 0.00 -2.77 0.06 0.00 -1.51 0.00 0.00 54.79 50.57 2ske n ASP 421 Cb 0.00 -1.73 0.43 0.00 2.34 0.00 0.00 41.12 42.15 2ske n ASP 421 CO 0.00 0.00 0.00 1.62 0.12 0.00 0.00 177.20 178.94 2ske h VAL 422 N 5.93 0.94 0.00 5.18 3.04 -1.92 -3.04 116.25 126.38 2ske h VAL 422 Ca 0.30 -1.23 -0.19 0.00 -1.01 0.00 0.00 66.70 64.56 2ske h VAL 422 Cb 0.91 1.72 -0.03 0.00 -2.01 0.00 0.00 31.29 31.89 2ske h VAL 422 CO 1.31 0.31 -0.92 -0.78 -1.01 0.00 0.00 177.57 176.49 2ske h ASP 423 N 0.00 0.00 -0.29 3.17 3.58 -2.00 -3.12 116.42 117.76 2ske h ASP 423 Ca -0.00 0.00 -0.08 0.00 0.42 0.00 0.00 57.03 57.36 2ske h ASP 423 Cb 0.70 0.00 -0.02 0.00 1.72 0.00 0.00 39.33 41.73 2ske h ASP 423 CO 0.04 0.92 -0.10 -0.09 -2.88 0.00 0.00 179.24 177.13 2ske h ARG 424 N 0.00 0.70 -0.15 0.28 2.43 -1.94 -2.00 114.38 113.71 2ske h ARG 424 Ca -0.01 -0.22 0.01 0.00 -0.81 0.00 0.00 59.98 58.95 2ske h ARG 424 Cb 1.64 -0.07 -0.01 0.00 -0.42 0.00 0.00 29.97 31.11 2ske h ARG 424 CO 0.12 0.79 0.06 -0.07 -1.51 0.00 0.00 179.97 179.35 2ske h LEU 425 N 0.64 0.08 -0.71 3.80 4.07 -1.47 -1.30 115.31 120.41 2ske h LEU 425 Ca 0.11 0.01 -0.14 0.00 0.08 0.00 0.00 57.88 57.95 2ske h LEU 425 Cb 0.55 0.00 -0.01 0.00 1.08 0.00 0.00 40.66 42.28 2ske h LEU 425 CO 0.03 0.07 -0.51 0.08 -1.08 0.00 0.00 178.44 177.03 2ske h ARG 426 N 0.14 0.35 -0.41 1.13 -0.00 -1.53 -2.63 114.38 111.42 2ske h ARG 426 Ca 0.06 -0.20 -0.08 0.00 -0.00 0.00 0.00 59.98 59.76 2ske h ARG 426 Cb 0.03 0.02 -0.02 0.00 -0.00 0.00 0.00 29.97 30.00 2ske h ARG 426 CO -0.06 0.78 -0.07 0.00 -0.00 0.00 0.00 179.97 180.62 2ske h ARG 427 N 0.28 0.71 0.00 0.08 3.08 -1.11 -3.09 114.38 114.32 2ske h ARG 427 Ca 0.01 -0.21 0.00 0.00 0.07 0.00 0.00 59.98 59.85 2ske h ARG 427 Cb 0.99 -0.07 0.00 0.00 0.08 0.00 0.00 29.97 30.96 2ske h ARG 427 CO 0.08 0.77 -0.61 -1.33 -1.07 0.00 0.00 179.97 177.81 2ske n MET 428 N -4.20 0.22 -1.62 0.04 2.81 -0.51 -4.96 117.12 108.90 2ske n MET 428 Ca 0.02 0.06 -0.43 0.00 -1.81 0.00 0.00 57.70 55.53 2ske n MET 428 Cb 0.33 -1.63 -0.01 0.00 -0.71 0.00 0.00 33.22 31.20 2ske n MET 428 CO 0.00 0.00 0.00 0.45 1.51 0.00 0.00 175.97 177.93 2ske n SER 429 N -1.94 1.57 0.21 7.83 2.88 -1.00 -4.85 113.62 118.32 2ske n SER 429 Ca 0.04 1.14 0.14 0.00 -1.33 0.00 0.00 58.87 58.86 2ske n SER 429 Cb 0.41 -1.35 0.39 0.00 -0.75 0.00 0.00 64.21 62.92 2ske n SER 429 CO 0.00 0.00 0.00 -0.07 -1.23 0.00 0.00 175.04 173.74 2ske h LEU 430 N 1.97 0.00 -8.78 2.46 3.38 -1.91 -3.42 115.31 109.00 2ske h LEU 430 Ca -0.42 0.00 -0.64 0.00 0.09 0.00 0.00 57.88 56.90 2ske h LEU 430 Cb 1.33 0.00 -0.20 0.00 0.09 0.00 0.00 40.66 41.88 2ske h LEU 430 CO 0.60 0.00 -0.58 -0.69 0.09 0.00 0.00 178.44 177.86 2ske s VAL 431 N -3.34 4.78 -0.27 1.22 1.01 -1.26 0.24 120.40 122.78 2ske s VAL 431 Ca 0.06 -0.01 -0.11 0.00 0.00 0.00 0.00 61.98 61.92 2ske s VAL 431 Cb 0.08 -3.25 -0.05 0.00 0.00 0.00 0.00 36.38 33.16 2ske s VAL 431 CO 0.59 0.31 0.18 -1.61 0.00 0.00 0.00 175.10 174.57 2ske s GLU 432 N 1.62 3.97 0.42 2.72 2.02 0.19 -4.96 118.70 124.68 2ske s GLU 432 Ca 0.07 -0.31 -0.07 0.00 0.02 0.00 0.00 54.97 54.67 2ske s GLU 432 Cb -0.15 -3.61 -0.05 0.00 0.10 0.00 0.00 34.13 30.42 2ske s GLU 432 CO 0.07 -0.11 0.74 -2.00 0.02 0.00 0.00 175.26 173.98 2ske s GLU 433 N 1.55 3.65 0.00 1.61 2.56 -1.26 -1.45 118.70 125.36 2ske s GLU 433 Ca 0.07 0.27 0.00 0.00 0.00 0.00 0.00 54.97 55.31 2ske s GLU 433 Cb -0.15 -2.42 0.00 0.00 2.00 0.00 0.00 34.13 33.55 2ske s GLU 433 CO 0.09 -0.07 0.00 0.41 -0.56 0.00 0.00 175.26 175.13 2ske n GLY 434 N -1.68 0.40 0.00 -1.50 0.00 -1.26 -4.92 105.19 96.22 2ske n GLY 434 Ca 0.01 -1.43 -0.00 0.00 0.00 0.00 0.00 46.02 44.59 2ske n GLY 434 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2ske n ALA 435 N -0.68 -0.00 -2.47 4.61 0.00 -1.26 -4.28 120.51 116.43 2ske n ALA 435 Ca 0.00 0.00 -0.26 0.00 0.00 0.00 0.00 53.44 53.18 2ske n ALA 435 Cb 0.00 0.35 -0.14 0.00 0.00 0.00 0.00 19.45 19.66 2ske n ALA 435 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.50 177.64 2ske s VAL 436 N -3.02 1.76 0.27 0.00 -7.23 -1.26 -5.11 120.40 105.82 2ske s VAL 436 Ca -0.00 -1.29 -0.29 0.00 -1.81 0.00 0.00 61.98 58.59 2ske s VAL 436 Cb 0.00 -1.53 -0.09 0.00 0.56 0.00 0.00 36.38 35.31 2ske s VAL 436 CO 0.00 0.19 1.09 -0.54 -0.31 0.00 0.00 175.10 175.53 2ske s LYS 437 N -1.31 4.66 0.22 4.82 1.02 -1.26 -4.77 119.74 123.12 2ske s LYS 437 Ca 0.08 1.78 0.03 0.00 0.02 0.00 0.00 55.97 57.88 2ske s LYS 437 Cb -0.09 -3.20 -0.05 0.00 -0.52 0.00 0.00 37.83 33.97 2ske s LYS 437 CO 0.02 0.23 0.01 1.03 -0.92 0.00 0.00 175.35 175.72 2ske s ARG 438 N -1.40 1.28 -0.14 1.68 0.52 -0.53 -0.87 118.95 119.49 2ske s ARG 438 Ca 0.44 -1.64 -0.00 0.00 -0.52 0.00 0.00 55.73 54.00 2ske s ARG 438 Cb -0.31 -0.49 -0.01 0.00 0.52 0.00 0.00 34.95 34.66 2ske s ARG 438 CO 0.40 -0.12 -0.13 0.42 0.02 0.00 0.00 175.30 175.89 2ske s ILE 439 N -3.52 3.01 -0.65 1.52 -1.09 0.08 -0.64 121.20 119.91 2ske s ILE 439 Ca 0.28 -0.66 -0.23 0.00 -2.23 0.00 0.00 60.65 57.81 2ske s ILE 439 Cb 0.06 -2.28 0.07 0.00 -1.58 0.00 0.00 42.46 38.73 2ske s ILE 439 CO 0.08 0.51 0.97 0.21 -1.23 0.00 0.00 174.94 175.48 2ske s ASN 440 N 0.55 6.18 0.53 3.58 3.84 0.14 -1.91 114.94 127.84 2ske s ASN 440 Ca -0.08 -0.93 0.18 0.00 0.21 0.00 0.00 52.86 52.24 2ske s ASN 440 Cb -0.16 -2.42 1.31 0.00 -0.55 0.00 0.00 41.25 39.44 2ske s ASN 440 CO 0.04 -1.44 2.13 0.24 -2.79 0.00 0.00 177.10 175.28 2ske h MET 441 N 9.56 0.00 -0.34 0.43 2.86 -1.70 -1.89 114.93 123.85 2ske h MET 441 Ca -0.29 0.00 -0.16 0.00 -2.06 0.00 0.00 59.70 57.19 2ske h MET 441 Cb 1.07 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.72 2ske h MET 441 CO 1.18 0.00 -0.42 0.00 1.06 0.00 0.00 176.91 178.72 2ske h ALA 442 N 1.96 0.61 -0.18 6.32 0.00 -1.91 -1.53 119.26 124.52 2ske h ALA 442 Ca 0.04 -0.47 -0.07 0.00 0.00 0.00 0.00 54.91 54.41 2ske h ALA 442 Cb 0.14 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.81 2ske h ALA 442 CO -0.00 0.68 -0.18 0.45 0.00 0.00 0.00 179.25 180.19 2ske h HIS 443 N 0.69 0.34 -0.22 0.00 3.86 -1.73 -1.54 115.15 116.54 2ske h HIS 443 Ca 0.05 -0.05 -0.02 0.00 -1.16 0.00 0.00 60.37 59.18 2ske h HIS 443 Cb 1.00 -0.09 -0.01 0.00 1.06 0.00 0.00 27.41 29.38 2ske h HIS 443 CO 0.06 0.48 0.05 1.25 0.86 0.00 0.00 177.93 180.63 2ske h LEU 444 N 0.29 0.34 -0.94 2.43 6.46 -1.11 -2.33 115.31 120.44 2ske h LEU 444 Ca 0.05 -0.24 -0.08 0.00 -0.12 0.00 0.00 57.88 57.50 2ske h LEU 444 Cb 0.49 -0.09 -0.02 0.00 -0.73 0.00 0.00 40.66 40.31 2ske h LEU 444 CO 0.03 0.49 -0.05 0.00 -0.62 0.00 0.00 178.44 178.29 2ske h ILE 446 N 0.66 1.28 -0.29 0.00 2.04 -1.21 -2.60 117.51 117.39 2ske h ILE 446 Ca 0.12 -1.17 -0.10 0.00 1.00 0.00 0.00 64.86 64.72 2ske h ILE 446 Cb 0.49 1.33 -0.01 0.00 -0.74 0.00 0.00 36.82 37.89 2ske h ILE 446 CO 0.03 0.38 -0.23 0.00 0.00 0.00 0.00 178.15 178.32 2ske h ALA 447 N 0.80 1.06 -0.62 1.87 0.00 -1.28 -3.25 119.26 117.84 2ske h ALA 447 Ca 0.08 -0.35 0.00 0.00 0.00 0.00 0.00 54.91 54.65 2ske h ALA 447 Cb 0.61 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.27 2ske h ALA 447 CO 0.04 0.57 0.00 0.41 0.00 0.00 0.00 179.25 180.27 2ske n GLY 448 N -0.36 2.81 3.30 0.00 0.00 -0.54 -4.95 105.19 105.44 2ske n GLY 448 Ca -0.00 -0.84 -0.23 0.00 0.00 0.00 0.00 46.02 44.95 2ske n GLY 448 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2ske s SER 449 N -0.98 2.56 0.00 1.61 0.01 -0.99 -3.88 113.70 112.04 2ske s SER 449 Ca 0.49 -0.74 0.26 0.00 1.31 0.00 0.00 55.95 57.27 2ske s SER 449 Cb 0.31 -0.14 0.66 0.00 0.21 0.00 0.00 66.02 67.06 2ske s SER 449 CO 0.24 0.03 1.51 0.00 0.41 0.00 0.00 173.24 175.42 2ske n HIS 450 N 0.85 0.00 -3.72 2.43 1.44 -0.67 -4.88 115.22 110.67 2ske n HIS 450 Ca -0.18 0.00 -0.12 0.00 -2.01 0.00 0.00 57.72 55.41 2ske n HIS 450 Cb 0.55 -0.06 -0.10 0.00 0.12 0.00 0.00 29.99 30.50 2ske n HIS 450 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 2ske s ALA 451 N -2.32 -1.08 -0.07 1.59 0.00 -1.26 -4.54 121.76 114.08 2ske s ALA 451 Ca 0.27 1.33 0.01 0.00 0.00 0.00 0.00 51.96 53.57 2ske s ALA 451 Cb 0.20 -0.79 0.02 0.00 0.00 0.00 0.00 23.12 22.55 2ske s ALA 451 CO 0.46 -0.23 -0.07 0.08 0.00 0.00 0.00 175.76 176.01 2ske s VAL 452 N 0.60 0.82 0.12 0.00 1.01 0.46 -1.39 120.40 122.02 2ske s VAL 452 Ca -0.03 -0.24 0.05 0.00 0.00 0.00 0.00 61.98 61.76 2ske s VAL 452 Cb -0.05 -0.82 -0.04 0.00 0.00 0.00 0.00 36.38 35.47 2ske s VAL 452 CO -0.04 0.30 -0.13 0.54 0.00 0.00 0.00 175.10 175.78 2ske s ASN 453 N 1.18 1.86 0.45 3.32 4.22 -0.84 -0.40 114.94 124.73 2ske s ASN 453 Ca -0.06 -0.83 0.08 0.00 -2.14 0.00 0.00 52.86 49.91 2ske s ASN 453 Cb -0.14 -0.05 0.02 0.00 1.28 0.00 0.00 41.25 42.37 2ske s ASN 453 CO -0.02 -0.19 0.62 -0.83 -2.04 0.00 0.00 177.10 174.64 2ske s GLY 454 N -2.53 1.91 -0.04 0.45 0.00 -0.99 -1.76 107.32 104.37 2ske s GLY 454 Ca 0.09 -1.73 0.16 0.00 0.00 0.00 0.00 44.72 43.24 2ske s GLY 454 CO 0.02 -1.49 1.41 3.33 0.00 0.00 0.00 173.10 176.37 2ske n VAL 455 N -1.94 1.26 -3.58 1.40 0.24 -1.26 -1.96 118.33 112.48 2ske n VAL 455 Ca 0.09 -1.12 -0.11 0.00 -2.04 0.00 0.00 64.34 61.16 2ske n VAL 455 Cb 0.59 0.37 -0.05 0.00 -1.47 0.00 0.00 33.84 33.28 2ske n VAL 455 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2ske s ALA 456 N -1.31 -1.93 0.18 2.33 0.00 -1.26 -1.65 121.76 118.13 2ske s ALA 456 Ca 0.36 1.61 -0.16 0.00 0.00 0.00 0.00 51.96 53.77 2ske s ALA 456 Cb 0.21 -0.76 0.15 0.00 0.00 0.00 0.00 23.12 22.73 2ske s ALA 456 CO 0.21 -0.30 1.64 -0.09 0.00 0.00 0.00 175.76 177.22 2ske h ARG 457 N 2.83 -0.02 -0.45 0.00 2.43 -1.90 0.12 114.38 117.38 2ske h ARG 457 Ca -0.20 0.00 -0.11 0.00 -0.81 0.00 0.00 59.98 58.85 2ske h ARG 457 Cb 1.16 0.01 -0.02 0.00 -0.42 0.00 0.00 29.97 30.70 2ske h ARG 457 CO 0.29 -0.02 -0.17 0.97 -1.51 0.00 0.00 179.97 179.53 2ske h ILE 458 N -0.02 1.27 -0.71 1.20 2.10 -1.92 -1.77 117.51 117.65 2ske h ILE 458 Ca 0.24 -1.30 -0.05 0.00 1.08 0.00 0.00 64.86 64.83 2ske h ILE 458 Cb 0.39 1.10 -0.03 0.00 -1.09 0.00 0.00 36.82 37.19 2ske h ILE 458 CO -0.52 0.44 0.24 -0.74 -1.08 0.00 0.00 178.15 176.49 2ske h HIS 459 N 0.77 1.12 -0.36 2.19 2.76 -1.62 -0.04 115.15 119.97 2ske h HIS 459 Ca 0.11 -0.10 -0.07 0.00 -2.20 0.00 0.00 60.37 58.11 2ske h HIS 459 Cb 0.70 -0.33 -0.02 0.00 1.55 0.00 0.00 27.41 29.32 2ske h HIS 459 CO 0.04 0.88 -0.09 0.77 -1.30 0.00 0.00 177.93 178.24 2ske h SER 460 N 1.03 0.59 -0.26 3.26 0.02 -0.56 -1.90 113.55 115.73 2ske h SER 460 Ca 0.23 -0.15 -0.15 0.00 -0.84 0.00 0.00 61.79 60.88 2ske h SER 460 Cb 0.27 -0.16 -0.00 0.00 0.14 0.00 0.00 62.40 62.65 2ske h SER 460 CO -0.01 0.72 -0.41 -0.33 -1.14 0.00 0.00 176.83 175.67 2ske h GLU 461 N 0.57 0.74 -0.60 3.45 4.39 -0.83 -3.01 114.58 119.29 2ske h GLU 461 Ca 0.11 -0.44 0.05 0.00 0.34 0.00 0.00 59.36 59.41 2ske h GLU 461 Cb 0.49 0.04 -0.03 0.00 -0.10 0.00 0.00 28.75 29.15 2ske h GLU 461 CO 0.03 1.07 0.40 0.82 -1.16 0.00 0.00 179.01 180.16 2ske h ILE 462 N 0.48 1.03 -0.62 3.13 2.04 -0.73 0.59 117.51 123.43 2ske h ILE 462 Ca 0.02 -0.22 -0.07 0.00 1.00 0.00 0.00 64.86 65.60 2ske h ILE 462 Cb 1.00 0.34 -0.03 0.00 -0.74 0.00 0.00 36.82 37.39 2ske h ILE 462 CO 0.09 0.12 0.12 -0.07 0.00 0.00 0.00 178.15 178.41 2ske h LEU 463 N 0.64 0.95 -0.09 1.44 3.38 -1.22 0.27 115.31 120.68 2ske h LEU 463 Ca 0.25 -0.20 -0.24 0.00 0.09 0.00 0.00 57.88 57.77 2ske h LEU 463 Cb 0.19 -0.25 0.01 0.00 0.09 0.00 0.00 40.66 40.70 2ske h LEU 463 CO -0.07 0.93 -1.03 0.11 0.09 0.00 0.00 178.44 178.48 2ske h LYS 464 N 0.95 0.45 0.08 1.13 1.57 -1.15 0.20 116.57 119.79 2ske h LYS 464 Ca 0.20 -0.52 -0.27 0.00 -1.87 0.00 0.00 60.65 58.19 2ske h LYS 464 Cb 0.38 0.16 -0.01 0.00 0.08 0.00 0.00 32.23 32.83 2ske h LYS 464 CO 0.01 1.17 -1.30 0.87 -0.57 0.00 0.00 179.45 179.63 2ske h LYS 465 N 0.23 0.17 0.00 3.15 1.57 -0.81 -3.31 116.57 117.57 2ske h LYS 465 Ca -0.10 -0.29 0.00 0.00 -1.87 0.00 0.00 60.65 58.39 2ske h LYS 465 Cb 1.68 0.11 0.00 0.00 0.08 0.00 0.00 32.23 34.10 2ske h LYS 465 CO 0.18 1.07 0.00 2.41 -0.57 0.00 0.00 179.45 182.54 2ske n THR 466 N -3.42 0.00 -0.31 -0.16 -1.04 0.95 -4.71 114.28 105.60 2ske n THR 466 Ca -0.09 0.00 0.06 0.00 -2.04 0.00 0.00 64.05 61.98 2ske n THR 466 Cb 1.01 -0.00 0.13 0.00 -1.82 0.00 0.00 70.33 69.65 2ske n THR 466 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2ske n ILE 467 N 0.00 -0.36 -1.56 12.58 0.13 -1.24 -1.30 119.36 127.61 2ske n ILE 467 Ca 0.00 1.95 -0.10 0.00 -1.10 0.00 0.00 62.75 63.50 2ske n ILE 467 Cb 0.00 -2.72 0.16 0.00 -0.84 0.00 0.00 39.64 36.24 2ske n ILE 467 CO 0.00 0.00 0.00 0.49 2.80 0.00 0.00 176.55 179.84 2ske n PHE 468 N -5.38 1.52 0.01 9.51 3.72 0.71 -4.78 117.46 122.78 2ske n PHE 468 Ca 0.14 -1.85 -0.10 0.00 -0.05 0.00 0.00 57.45 55.59 2ske n PHE 468 Cb 0.45 -0.54 -0.03 0.00 -0.94 0.00 0.00 39.48 38.42 2ske n PHE 468 CO 0.00 0.00 0.00 -0.22 -0.05 0.00 0.00 176.76 176.49 2ske h LYS 469 N 1.30 -0.31 -0.95 -1.08 3.64 -1.19 -0.09 116.57 117.89 2ske h LYS 469 Ca 0.28 0.02 0.08 0.00 -1.27 0.00 0.00 60.65 59.76 2ske h LYS 469 Cb 1.54 0.07 -0.07 0.00 -0.41 0.00 0.00 32.23 33.36 2ske h LYS 469 CO 0.55 -0.21 0.60 -0.44 -2.27 0.00 0.00 179.45 177.68 2ske h ASP 470 N -0.32 0.93 -0.12 4.20 3.32 -1.86 -1.35 116.42 121.21 2ske h ASP 470 Ca 0.09 0.02 -0.12 0.00 0.02 0.00 0.00 57.03 57.04 2ske h ASP 470 Cb 0.45 -0.17 -0.01 0.00 0.22 0.00 0.00 39.33 39.82 2ske h ASP 470 CO -0.28 0.56 -0.33 -0.26 -1.72 0.00 0.00 179.24 177.21 2ske h PHE 471 N 1.05 0.72 -0.45 4.55 -1.00 -1.80 -2.55 116.94 117.45 2ske h PHE 471 Ca 0.43 -0.19 -0.11 0.00 2.81 0.00 0.00 57.97 60.92 2ske h PHE 471 Cb 0.26 -0.16 -0.02 0.00 3.61 0.00 0.00 35.95 39.64 2ske h PHE 471 CO -0.02 0.87 -0.14 -0.92 -1.61 0.00 0.00 178.31 176.49 2ske h TYR 472 N 0.52 0.94 -0.23 -0.55 3.20 -0.17 -1.53 116.97 119.15 2ske h TYR 472 Ca 0.06 -0.19 -0.09 0.00 3.14 0.00 0.00 58.73 61.65 2ske h TYR 472 Cb 0.82 -0.23 -0.01 0.00 1.54 0.00 0.00 36.73 38.84 2ske h TYR 472 CO 0.04 0.93 -0.23 0.93 -1.64 0.00 0.00 178.16 178.18 2ske h GLU 473 N 0.75 0.42 -0.07 1.82 5.08 -1.10 -1.64 114.58 119.85 2ske h GLU 473 Ca 0.12 -0.15 -0.06 0.00 -1.00 0.00 0.00 59.36 58.27 2ske h GLU 473 Cb 0.66 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.88 2ske h GLU 473 CO 0.05 0.63 -0.21 1.25 -1.00 0.00 0.00 179.01 179.72 2ske h LEU 474 N 0.38 0.30 -6.23 1.33 6.46 -1.21 -3.41 115.31 112.93 2ske h LEU 474 Ca 0.06 -0.61 -0.54 0.00 -0.12 0.00 0.00 57.88 56.67 2ske h LEU 474 Cb 0.61 -0.09 -0.36 0.00 -0.73 0.00 0.00 40.66 40.09 2ske h LEU 474 CO 0.04 0.86 -0.92 -1.61 -0.62 0.00 0.00 178.44 176.19 2ske s GLU 475 N -3.79 0.90 0.55 1.25 2.02 -0.60 -4.99 118.70 114.05 2ske s GLU 475 Ca -0.15 -1.95 0.23 0.00 0.02 0.00 0.00 54.97 53.12 2ske s GLU 475 Cb 0.03 -1.26 1.53 0.00 0.10 0.00 0.00 34.13 34.53 2ske s GLU 475 CO 0.75 -1.37 2.18 -1.00 0.02 0.00 0.00 175.26 175.83 2ske h PRO 476 N 5.64 0.00 0.00 0.39 0.13 -1.53 -2.47 132.00 134.16 2ske h PRO 476 Ca 0.24 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 65.35 2ske h PRO 476 Cb 0.93 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.06 2ske h PRO 476 CO 0.33 0.00 -0.08 1.12 -0.23 0.00 0.00 178.00 179.13 2ske h HIS 477 N 0.00 0.00 -0.08 1.56 2.07 -1.94 -3.12 115.15 113.64 2ske h HIS 477 Ca 0.02 0.00 -0.17 0.00 -2.85 0.00 0.00 60.37 57.37 2ske h HIS 477 Cb 0.12 0.00 -0.01 0.00 2.57 0.00 0.00 27.41 30.09 2ske h HIS 477 CO 0.00 0.08 -0.69 0.87 -3.07 0.00 0.00 177.93 175.13 2ske h LYS 478 N 0.00 0.35 -6.07 5.12 1.57 -1.68 -3.45 116.57 112.42 2ske h LYS 478 Ca -0.00 -0.27 -0.58 0.00 -1.87 0.00 0.00 60.65 57.93 2ske h LYS 478 Cb 0.39 0.05 -0.06 0.00 0.08 0.00 0.00 32.23 32.70 2ske h LYS 478 CO 0.01 0.91 0.65 -0.06 -0.57 0.00 0.00 179.45 180.39 2ske s PHE 479 N -3.66 3.39 0.39 -1.35 0.40 -1.18 -0.40 117.98 115.56 2ske s PHE 479 Ca -0.05 1.43 0.04 0.00 -0.60 0.00 0.00 56.93 57.75 2ske s PHE 479 Cb 0.11 -3.19 -0.02 0.00 0.51 0.00 0.00 43.02 40.43 2ske s PHE 479 CO 0.83 -0.37 0.15 1.04 0.70 0.00 0.00 175.22 177.56 2ske n GLN 480 N 5.80 0.57 -4.11 0.44 6.02 0.46 -4.95 117.38 121.62 2ske n GLN 480 Ca 0.09 -3.33 -0.15 0.00 -0.01 0.00 0.00 57.00 53.60 2ske n GLN 480 Cb 0.47 1.88 -0.12 0.00 1.02 0.00 0.00 30.24 33.50 2ske n GLN 480 CO 0.00 0.00 0.00 1.21 -1.01 0.00 0.00 177.06 177.26 2ske s ASN 481 N -3.41 1.20 -0.38 1.08 3.84 -1.26 -2.36 114.94 113.65 2ske s ASN 481 Ca 0.21 -0.58 0.04 0.00 0.21 0.00 0.00 52.86 52.74 2ske s ASN 481 Cb 0.01 0.00 0.16 0.00 -0.55 0.00 0.00 41.25 40.87 2ske s ASN 481 CO 0.15 -0.15 0.44 -0.54 -2.79 0.00 0.00 177.10 174.20 2ske s LYS 482 N -1.67 0.68 0.23 0.43 -0.14 -0.83 -4.87 119.74 113.58 2ske s LYS 482 Ca -0.06 -0.72 -0.32 0.00 -1.36 0.00 0.00 55.97 53.51 2ske s LYS 482 Cb -0.10 -0.53 -0.13 0.00 -1.68 0.00 0.00 37.83 35.39 2ske s LYS 482 CO 0.01 -1.19 1.57 2.41 -0.76 0.00 0.00 175.35 177.39 2ske n THR 483 N 4.28 0.58 -0.44 2.17 -1.04 -1.26 -4.36 114.28 114.21 2ske n THR 483 Ca 0.11 -0.14 -0.29 0.00 -2.04 0.00 0.00 64.05 61.69 2ske n THR 483 Cb 0.48 -1.76 0.26 0.00 -1.82 0.00 0.00 70.33 67.50 2ske n THR 483 CO 0.00 0.00 0.00 0.59 -0.64 0.00 0.00 175.07 175.02 2ske n ASN 484 N 2.80 -2.28 -3.18 8.00 5.03 -0.66 -4.63 115.26 120.33 2ske n ASN 484 Ca 0.13 -0.30 -0.08 0.00 0.87 0.00 0.00 54.58 55.19 2ske n ASN 484 Cb 0.33 -1.18 0.01 0.00 -1.02 0.00 0.00 39.78 37.92 2ske n ASN 484 CO 0.00 0.00 0.00 -0.83 -1.83 0.00 0.00 177.26 174.60 2ske s GLY 485 N -2.42 0.24 0.14 7.41 0.00 -1.26 -4.79 107.32 106.64 2ske s GLY 485 Ca 0.67 -0.63 0.04 0.00 0.00 0.00 0.00 44.72 44.81 2ske s GLY 485 CO 0.65 -0.24 -0.10 -0.26 0.00 0.00 0.00 173.10 173.15 2ske s ILE 486 N -2.75 1.10 -0.17 0.90 -4.36 -0.02 -4.48 121.20 111.42 2ske s ILE 486 Ca 0.14 -2.02 -0.24 0.00 -0.26 0.00 0.00 60.65 58.27 2ske s ILE 486 Cb -0.05 -1.80 -0.02 0.00 1.25 0.00 0.00 42.46 41.83 2ske s ILE 486 CO 0.10 -0.75 0.76 0.28 0.24 0.00 0.00 174.94 175.57 2ske s THR 487 N -3.32 4.94 -0.76 8.37 -1.32 -1.26 -0.26 115.64 122.02 2ske s THR 487 Ca 0.15 1.48 0.16 0.00 -1.21 0.00 0.00 61.69 62.28 2ske s THR 487 Cb 0.03 -4.07 0.16 0.00 -1.51 0.00 0.00 72.50 67.10 2ske s THR 487 CO -0.00 0.08 1.51 -0.81 -2.21 0.00 0.00 174.62 173.18 2ske n PRO 488 N 5.02 0.08 0.13 7.08 -0.04 -1.26 -1.67 135.00 144.33 2ske n PRO 488 Ca 0.02 0.37 -0.06 0.00 -0.04 0.00 0.00 63.50 63.79 2ske n PRO 488 Cb 0.49 -1.66 -0.03 0.00 -0.04 0.00 0.00 33.50 32.26 2ske n PRO 488 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2ske h ARG 489 N 0.00 -0.37 -0.28 0.54 -0.00 -1.92 -2.29 114.38 110.07 2ske h ARG 489 Ca 0.00 0.03 -0.10 0.00 -0.50 0.00 0.00 59.98 59.40 2ske h ARG 489 Cb 0.24 0.08 -0.01 0.00 0.00 0.00 0.00 29.97 30.29 2ske h ARG 489 CO 0.00 -0.24 -0.22 -0.09 0.00 0.00 0.00 179.97 179.41 2ske h ARG 490 N -0.83 0.64 -0.08 0.04 2.43 -1.96 0.22 114.38 114.84 2ske h ARG 490 Ca -0.04 -0.32 0.00 0.00 -0.81 0.00 0.00 59.98 58.81 2ske h ARG 490 Cb 0.29 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.84 2ske h ARG 490 CO 0.06 0.92 0.00 0.91 -1.51 0.00 0.00 179.97 180.35 2ske n TRP 491 N -4.34 0.11 0.00 2.20 7.02 -0.67 -2.62 117.44 119.15 2ske n TRP 491 Ca -0.04 -0.06 0.00 0.00 -1.02 0.00 0.00 57.50 56.39 2ske n TRP 491 Cb 0.43 0.00 0.00 0.00 -2.42 0.00 0.00 31.31 29.32 2ske n TRP 491 CO 0.00 0.00 0.00 -0.11 -2.02 0.00 0.00 177.69 175.56 2ske n LEU 492 N -0.28 0.00 -0.19 -0.99 7.94 -0.92 -4.80 117.00 117.76 2ske n LEU 492 Ca 0.06 0.00 0.09 0.00 -1.11 0.00 0.00 56.01 55.04 2ske n LEU 492 Cb 0.09 0.08 0.38 0.00 0.53 0.00 0.00 43.42 44.50 2ske n LEU 492 CO 0.04 -0.32 1.21 0.58 -1.11 0.00 0.00 177.39 177.79 2ske h VAL 493 N 0.00 0.96 0.00 1.96 2.07 -1.12 0.15 116.25 120.26 2ske h VAL 493 Ca 0.00 -0.24 -0.03 0.00 0.82 0.00 0.00 66.70 67.25 2ske h VAL 493 Cb 0.00 0.21 -0.00 0.00 -1.52 0.00 0.00 31.29 29.97 2ske h VAL 493 CO 0.00 0.13 -0.20 0.25 0.02 0.00 0.00 177.57 177.76 2ske h LEU 494 N 0.69 0.00 0.00 2.57 6.46 -0.67 -3.32 115.31 121.04 2ske h LEU 494 Ca 0.34 -0.63 0.00 0.00 -0.12 0.00 0.00 57.88 57.47 2ske h LEU 494 Cb 0.41 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 40.34 2ske h LEU 494 CO -0.12 0.93 -0.17 0.00 -0.62 0.00 0.00 178.44 178.46 2ske n ASN 496 N -2.60 0.34 0.03 0.00 2.85 0.52 -4.85 115.26 111.54 2ske n ASN 496 Ca 0.04 -2.88 0.03 0.00 -0.11 0.00 0.00 54.58 51.67 2ske n ASN 496 Cb 0.48 -0.51 0.41 0.00 1.24 0.00 0.00 39.78 41.40 2ske n ASN 496 CO 0.00 0.00 0.00 1.55 -2.11 0.00 0.00 177.26 176.70 2ske h PRO 497 N 3.52 0.48 -0.66 1.20 0.13 -1.66 -2.06 132.00 132.94 2ske h PRO 497 Ca 0.07 -0.05 0.04 0.00 -0.87 0.00 0.00 66.00 65.19 2ske h PRO 497 Cb 0.93 -0.10 -0.04 0.00 0.13 0.00 0.00 31.00 31.92 2ske h PRO 497 CO 0.47 0.37 0.40 0.78 -0.23 0.00 0.00 178.00 179.79 2ske h GLY 498 N 0.59 0.95 1.31 1.56 0.00 -1.92 0.14 103.07 105.71 2ske h GLY 498 Ca 0.12 -0.30 -0.21 0.00 0.00 0.00 0.00 47.33 46.95 2ske h GLY 498 CO -0.02 0.24 -0.73 -2.00 0.00 0.00 0.00 176.54 174.02 2ske h LEU 499 N 0.77 0.80 -1.15 3.11 5.85 -1.83 -3.01 115.31 119.85 2ske h LEU 499 Ca 0.27 -0.51 -0.07 0.00 0.84 0.00 0.00 57.88 58.41 2ske h LEU 499 Cb 0.06 -0.24 -0.02 0.00 0.37 0.00 0.00 40.66 40.84 2ske h LEU 499 CO -0.12 1.29 -0.11 0.00 -0.34 0.00 0.00 178.44 179.16 2ske h ALA 500 N 0.70 1.29 0.12 1.25 0.00 -0.81 -2.54 119.26 119.26 2ske h ALA 500 Ca -0.04 -0.25 -0.01 0.00 0.00 0.00 0.00 54.91 54.61 2ske h ALA 500 Cb 1.34 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 19.00 2ske h ALA 500 CO 0.14 0.47 -0.06 1.49 0.00 0.00 0.00 179.25 181.30 2ske h GLU 501 N 0.43 -0.15 -0.10 0.00 4.57 -0.68 -1.44 114.58 117.21 2ske h GLU 501 Ca 0.08 0.01 -0.03 0.00 -1.18 0.00 0.00 59.36 58.24 2ske h GLU 501 Cb 0.46 0.03 -0.01 0.00 -0.16 0.00 0.00 28.75 29.08 2ske h GLU 501 CO 0.03 0.16 -0.10 -0.84 -1.18 0.00 0.00 179.01 177.08 2ske h ILE 502 N -0.46 1.13 -0.23 2.32 3.07 -1.47 0.19 117.51 122.05 2ske h ILE 502 Ca -0.02 -0.58 -0.06 0.00 1.55 0.00 0.00 64.86 65.76 2ske h ILE 502 Cb 0.38 1.17 -0.01 0.00 -0.27 0.00 0.00 36.82 38.09 2ske h ILE 502 CO 0.03 0.18 -0.09 0.40 -1.05 0.00 0.00 178.15 177.61 2ske h ILE 503 N 0.15 1.30 -0.42 0.16 2.04 -1.39 -3.00 117.51 116.34 2ske h ILE 503 Ca 0.03 -1.13 -0.04 0.00 1.00 0.00 0.00 64.86 64.72 2ske h ILE 503 Cb 0.27 1.55 -0.02 0.00 -0.74 0.00 0.00 36.82 37.88 2ske h ILE 503 CO 0.02 0.35 0.09 0.00 0.00 0.00 0.00 178.15 178.61 2ske h ALA 504 N 0.73 1.38 -0.21 1.87 0.00 -0.30 0.24 119.26 122.97 2ske h ALA 504 Ca 0.05 -0.17 0.06 0.00 0.00 0.00 0.00 54.91 54.85 2ske h ALA 504 Cb 0.57 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.18 2ske h ALA 504 CO 0.03 0.44 0.15 0.93 0.00 0.00 0.00 179.25 180.81 2ske h GLU 505 N 0.61 0.00 0.00 0.00 5.08 -0.53 -0.76 114.58 118.98 2ske h GLU 505 Ca 0.14 0.00 -0.44 0.00 -1.00 0.00 0.00 59.36 58.06 2ske h GLU 505 Cb 0.24 0.00 -0.07 0.00 0.50 0.00 0.00 28.75 29.43 2ske h GLU 505 CO -0.00 0.00 -2.49 0.54 -1.00 0.00 0.00 179.01 176.05 2ske n ARG 506 N -4.39 0.61 -0.14 2.33 5.12 -0.74 -4.76 116.66 114.69 2ske n ARG 506 Ca 0.02 0.24 0.05 0.00 -1.93 0.00 0.00 57.85 56.23 2ske n ARG 506 Cb 0.30 -1.51 0.12 0.00 -1.16 0.00 0.00 32.46 30.21 2ske n ARG 506 CO 0.00 0.00 0.00 0.44 -1.93 0.00 0.00 177.63 176.14 2ske n ILE 507 N -4.02 0.95 -1.41 0.55 -5.35 -0.00 -5.11 119.36 104.97 2ske n ILE 507 Ca -0.52 -0.97 0.00 0.00 -0.27 0.00 0.00 62.75 60.99 2ske n ILE 507 Cb 0.91 0.54 0.00 0.00 -1.74 0.00 0.00 39.64 39.34 2ske n ILE 507 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2ske n GLY 508 N 0.34 -2.39 0.00 3.28 0.00 -0.29 -4.70 105.19 101.43 2ske n GLY 508 Ca 0.09 -1.74 0.09 0.00 0.00 0.00 0.00 46.02 44.46 2ske n GLY 508 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2ske n GLU 509 N -0.20 0.83 0.29 1.61 1.02 -1.26 -4.04 120.64 118.89 2ske n GLU 509 Ca 0.00 -0.07 0.16 0.00 -0.02 0.00 0.00 57.16 57.23 2ske n GLU 509 Cb 0.00 -1.39 0.87 0.00 -0.02 0.00 0.00 31.44 30.90 2ske n GLU 509 CO 0.00 0.00 0.00 1.49 1.18 0.00 0.00 177.13 179.80 2ske h GLU 510 N 0.00 0.00 0.00 3.49 4.22 -1.97 -2.19 114.58 118.13 2ske h GLU 510 Ca 0.00 0.00 0.00 0.00 0.08 0.00 0.00 59.36 59.44 2ske h GLU 510 Cb 0.61 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.86 2ske h GLU 510 CO 0.00 0.00 0.00 0.10 -2.18 0.00 0.00 179.01 176.93 2ske h TYR 511 N 0.00 0.00 0.00 0.92 -0.00 -1.80 -2.87 116.97 113.22 2ske h TYR 511 Ca 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 58.73 58.71 2ske h TYR 511 Cb 0.35 0.00 -0.00 0.00 0.00 0.00 0.00 36.73 37.08 2ske h TYR 511 CO 0.00 0.00 -0.08 0.82 -0.00 0.00 0.00 178.16 178.90 2ske h ILE 512 N 0.00 0.97 -0.09 -0.90 1.08 -1.75 -1.49 117.51 115.34 2ske h ILE 512 Ca 0.00 -0.28 0.00 0.00 -0.39 0.00 0.00 64.86 64.19 2ske h ILE 512 Cb 0.43 1.15 0.00 0.00 -3.07 0.00 0.00 36.82 35.33 2ske h ILE 512 CO 0.00 0.08 0.00 -1.54 -0.69 0.00 0.00 178.15 176.00 2ske n SER 513 N -4.32 2.26 -2.93 1.72 3.41 -1.15 -4.68 113.62 107.91 2ske n SER 513 Ca -0.03 -2.04 -0.14 0.00 -0.26 0.00 0.00 58.87 56.40 2ske n SER 513 Cb 0.16 -0.07 0.01 0.00 -0.26 0.00 0.00 64.21 64.05 2ske n SER 513 CO 0.00 0.00 0.00 -0.67 -0.16 0.00 0.00 175.04 174.21 2ske n ASP 514 N -0.27 -1.42 0.08 4.04 2.03 -0.86 -5.01 116.55 115.14 2ske n ASP 514 Ca 0.03 -3.16 0.21 0.00 0.52 0.00 0.00 54.79 52.39 2ske n ASP 514 Cb 0.31 0.80 0.71 0.00 -0.72 0.00 0.00 41.12 42.22 2ske n ASP 514 CO 0.00 0.00 0.00 -0.07 -1.92 0.00 0.00 177.20 175.21 2ske h LEU 515 N 3.70 0.00 -2.02 -2.67 3.38 -1.57 -1.84 115.31 114.29 2ske h LEU 515 Ca -0.04 0.00 0.12 0.00 0.09 0.00 0.00 57.88 58.05 2ske h LEU 515 Cb 0.99 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.72 2ske h LEU 515 CO 0.36 0.00 0.31 0.44 0.09 0.00 0.00 178.44 179.64 2ske h ASP 516 N 0.00 0.00 0.14 -0.43 3.32 -1.85 -0.46 116.42 117.15 2ske h ASP 516 Ca 0.21 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.26 2ske h ASP 516 Cb 1.28 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.83 2ske h ASP 516 CO -0.00 0.00 0.00 0.00 -1.72 0.00 0.00 179.24 177.52 2ske n GLN 517 N -4.34 0.03 0.30 3.56 6.02 -0.69 -2.21 117.38 120.05 2ske n GLN 517 Ca 0.07 0.34 0.19 0.00 -0.01 0.00 0.00 57.00 57.59 2ske n GLN 517 Cb 0.50 -1.50 0.87 0.00 1.02 0.00 0.00 30.24 31.13 2ske n GLN 517 CO 0.00 0.00 0.00 -0.07 -1.01 0.00 0.00 177.06 175.98 2ske h LEU 518 N 0.00 0.00 -1.77 1.08 4.07 -1.31 -2.55 115.31 114.82 2ske h LEU 518 Ca 0.00 0.00 0.06 0.00 0.08 0.00 0.00 57.88 58.02 2ske h LEU 518 Cb 0.07 0.00 -0.02 0.00 1.08 0.00 0.00 40.66 41.79 2ske h LEU 518 CO 0.00 0.00 0.26 0.03 -1.08 0.00 0.00 178.44 177.65 2ske h ARG 519 N 0.00 0.27 0.00 1.13 3.08 -1.04 0.43 114.38 118.25 2ske h ARG 519 Ca 0.00 -0.02 0.00 0.00 0.07 0.00 0.00 59.98 60.03 2ske h ARG 519 Cb 0.33 -0.06 0.00 0.00 0.08 0.00 0.00 29.97 30.32 2ske h ARG 519 CO 0.00 0.18 0.01 0.87 -1.07 0.00 0.00 179.97 179.96 2ske h LYS 520 N 0.28 0.00 0.00 0.04 1.57 -1.71 0.82 116.57 117.57 2ske h LYS 520 Ca 0.17 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.95 2ske h LYS 520 Cb 0.31 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.62 2ske h LYS 520 CO -0.03 0.00 0.00 1.28 -0.57 0.00 0.00 179.45 180.13 2ske n LEU 521 N -2.49 0.65 0.05 2.94 4.77 0.14 -2.90 117.00 120.16 2ske n LEU 521 Ca -0.02 0.63 0.02 0.00 -0.03 0.00 0.00 56.01 56.62 2ske n LEU 521 Cb 0.05 -0.51 0.39 0.00 -2.33 0.00 0.00 43.42 41.01 2ske n LEU 521 CO 0.12 -0.45 1.00 -0.07 -1.33 0.00 0.00 177.39 176.67 2ske h LEU 522 N 0.00 0.37 0.00 2.23 4.07 -1.00 -1.90 115.31 119.08 2ske h LEU 522 Ca 0.00 -0.05 0.00 0.00 0.08 0.00 0.00 57.88 57.91 2ske h LEU 522 Cb 0.44 -0.10 0.00 0.00 1.08 0.00 0.00 40.66 42.09 2ske h LEU 522 CO 0.00 0.40 0.00 -1.54 -1.08 0.00 0.00 178.44 176.22 2ske n SER 523 N -4.36 0.00 -0.21 -0.43 3.41 -1.14 -2.22 113.62 108.67 2ske n SER 523 Ca 0.01 -1.08 0.02 0.00 -0.26 0.00 0.00 58.87 57.56 2ske n SER 523 Cb 0.18 0.00 0.05 0.00 -0.26 0.00 0.00 64.21 64.18 2ske n SER 523 CO 0.00 0.00 0.00 -1.22 -0.16 0.00 0.00 175.04 173.66 2ske n TYR 524 N -0.81 0.14 0.25 7.33 4.01 -0.72 -4.65 117.16 122.72 2ske n TYR 524 Ca 0.12 -0.43 0.13 0.00 -0.16 0.00 0.00 57.90 57.56 2ske n TYR 524 Cb 0.05 -0.04 0.66 0.00 -0.31 0.00 0.00 39.34 39.70 2ske n TYR 524 CO 0.00 0.00 0.00 -0.24 -0.46 0.00 0.00 176.86 176.16 2ske h VAL 525 N 0.70 0.00 -0.03 -0.72 3.04 -1.49 -0.98 116.25 116.77 2ske h VAL 525 Ca 0.00 -0.09 0.00 0.00 -1.01 0.00 0.00 66.70 65.60 2ske h VAL 525 Cb 0.52 0.74 0.00 0.00 -2.01 0.00 0.00 31.29 30.53 2ske h VAL 525 CO 0.00 0.00 0.00 0.47 -1.01 0.00 0.00 177.57 177.03 2ske n ASP 526 N -2.42 1.55 -4.66 3.17 8.00 -1.26 -4.89 116.55 116.04 2ske n ASP 526 Ca -0.01 -1.35 -0.43 0.00 0.71 0.00 0.00 54.79 53.72 2ske n ASP 526 Cb 0.11 -0.02 -0.02 0.00 -0.02 0.00 0.00 41.12 41.16 2ske n ASP 526 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 2ske s ASP 527 N -0.48 6.78 0.21 -2.24 -1.08 -0.37 -4.92 116.67 114.57 2ske s ASP 527 Ca 0.05 1.87 -0.08 0.00 -0.52 0.00 0.00 52.55 53.87 2ske s ASP 527 Cb 0.03 -2.54 0.15 0.00 -1.46 0.00 0.00 42.92 39.11 2ske s ASP 527 CO 0.05 -0.88 1.77 -0.08 0.52 0.00 0.00 175.17 176.55 2ske h GLU 528 N 8.98 1.18 -0.28 4.34 4.57 -1.94 -2.27 114.58 129.16 2ske h GLU 528 Ca -0.32 -0.23 -0.05 0.00 -1.18 0.00 0.00 59.36 57.59 2ske h GLU 528 Cb 1.14 -0.19 -0.01 0.00 -0.16 0.00 0.00 28.75 29.53 2ske h GLU 528 CO 0.97 0.97 -0.02 0.00 -1.18 0.00 0.00 179.01 179.75 2ske h ALA 529 N 1.16 0.38 -0.10 2.92 0.00 -1.95 -2.50 119.26 119.17 2ske h ALA 529 Ca 0.26 -0.24 -0.00 0.00 0.00 0.00 0.00 54.91 54.93 2ske h ALA 529 Cb 0.24 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 17.92 2ske h ALA 529 CO -0.02 0.14 0.05 0.35 0.00 0.00 0.00 179.25 179.78 2ske h PHE 530 N 0.29 0.14 -0.89 0.00 3.57 -1.86 -0.51 116.94 117.67 2ske h PHE 530 Ca 0.08 -0.00 0.11 0.00 3.53 0.00 0.00 57.97 61.68 2ske h PHE 530 Cb 0.46 -0.04 -0.08 0.00 2.79 0.00 0.00 35.95 39.08 2ske h PHE 530 CO 0.04 0.17 0.53 0.82 -2.23 0.00 0.00 178.31 177.64 2ske h ILE 531 N 0.06 0.91 -0.61 1.41 2.04 -1.43 0.51 117.51 120.40 2ske h ILE 531 Ca 0.03 -0.30 -0.06 0.00 1.00 0.00 0.00 64.86 65.54 2ske h ILE 531 Cb 0.08 -0.03 -0.03 0.00 -0.74 0.00 0.00 36.82 36.10 2ske h ILE 531 CO -0.01 0.16 0.17 -0.09 0.00 0.00 0.00 178.15 178.38 2ske h ARG 532 N 0.86 0.97 -0.03 2.37 2.43 -1.13 -2.06 114.38 117.79 2ske h ARG 532 Ca 0.44 -0.22 -0.01 0.00 -0.81 0.00 0.00 59.98 59.37 2ske h ARG 532 Cb 0.42 -0.13 -0.00 0.00 -0.42 0.00 0.00 29.97 29.84 2ske h ARG 532 CO -0.26 0.88 -0.03 -0.44 -1.51 0.00 0.00 179.97 178.61 2ske h ASP 533 N 0.89 0.08 -0.59 -3.80 3.32 0.54 -0.65 116.42 116.21 2ske h ASP 533 Ca 0.19 -0.50 0.07 0.00 0.02 0.00 0.00 57.03 56.82 2ske h ASP 533 Cb 0.33 -0.02 -0.06 0.00 0.22 0.00 0.00 39.33 39.80 2ske h ASP 533 CO -0.00 0.56 0.26 0.58 -1.72 0.00 0.00 179.24 178.92 2ske h VAL 534 N -0.40 0.85 -0.16 -1.35 2.07 -0.07 -0.67 116.25 116.52 2ske h VAL 534 Ca 0.00 -0.16 -0.07 0.00 0.82 0.00 0.00 66.70 67.29 2ske h VAL 534 Cb 0.54 0.34 -0.01 0.00 -1.52 0.00 0.00 31.29 30.63 2ske h VAL 534 CO 0.01 0.09 -0.23 0.00 0.02 0.00 0.00 177.57 177.45 2ske h ALA 535 N 1.36 1.32 -0.27 1.67 0.00 -1.35 -2.94 119.26 119.05 2ske h ALA 535 Ca 0.28 -0.29 -0.12 0.00 0.00 0.00 0.00 54.91 54.78 2ske h ALA 535 Cb 0.28 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 17.97 2ske h ALA 535 CO -0.24 0.46 -0.28 -0.22 0.00 0.00 0.00 179.25 178.96 2ske h LYS 536 N 0.26 0.68 -0.25 0.00 3.64 0.32 -2.33 116.57 118.88 2ske h LYS 536 Ca 0.04 -0.36 -0.09 0.00 -1.27 0.00 0.00 60.65 58.97 2ske h LYS 536 Cb 0.55 0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 32.38 2ske h LYS 536 CO 0.04 0.97 -0.24 -0.39 -2.27 0.00 0.00 179.45 177.56 2ske h VAL 537 N 0.41 1.26 -0.17 2.00 -1.51 -1.18 0.29 116.25 117.35 2ske h VAL 537 Ca 0.04 -1.24 -0.10 0.00 -1.23 0.00 0.00 66.70 64.17 2ske h VAL 537 Cb 0.85 1.34 -0.01 0.00 -2.13 0.00 0.00 31.29 31.34 2ske h VAL 537 CO 0.07 0.39 -0.34 0.50 -1.23 0.00 0.00 177.57 176.96 2ske h LYS 538 N 0.42 0.36 -0.16 5.19 1.63 -1.50 0.13 116.57 122.63 2ske h LYS 538 Ca 0.06 -0.15 -0.20 0.00 -0.85 0.00 0.00 60.65 59.51 2ske h LYS 538 Cb 0.65 -0.01 0.00 0.00 -0.60 0.00 0.00 32.23 32.27 2ske h LYS 538 CO 0.05 0.66 -0.70 0.37 -3.45 0.00 0.00 179.45 176.38 2ske h GLN 539 N 0.31 0.69 -0.40 1.90 5.75 -0.85 -1.54 115.11 120.97 2ske h GLN 539 Ca 0.04 -0.52 -0.11 0.00 -0.15 0.00 0.00 58.65 57.91 2ske h GLN 539 Cb 0.76 0.10 -0.01 0.00 1.07 0.00 0.00 27.48 29.39 2ske h GLN 539 CO 0.06 1.14 -0.20 0.93 -2.65 0.00 0.00 178.83 178.11 2ske h GLU 540 N 0.49 0.77 -0.26 1.69 5.08 -0.57 -2.11 114.58 119.67 2ske h GLU 540 Ca -0.03 -0.30 -0.06 0.00 -1.00 0.00 0.00 59.36 57.98 2ske h GLU 540 Cb 1.30 -0.04 -0.01 0.00 0.50 0.00 0.00 28.75 30.50 2ske h GLU 540 CO 0.14 0.91 -0.06 -0.91 -1.00 0.00 0.00 179.01 178.08 2ske h ASN 541 N 0.68 0.50 -0.60 1.42 2.35 -0.68 -2.39 115.58 116.86 2ske h ASN 541 Ca 0.10 -0.37 -0.03 0.00 -0.55 0.00 0.00 56.30 55.45 2ske h ASN 541 Cb 0.70 -0.14 -0.03 0.00 0.05 0.00 0.00 38.32 38.91 2ske h ASN 541 CO 0.05 0.75 0.28 0.11 -1.65 0.00 0.00 177.43 176.97 2ske h LYS 542 N 0.24 0.90 -0.58 0.81 1.57 -1.17 -1.46 116.57 116.88 2ske h LYS 542 Ca 0.06 -0.13 -0.10 0.00 -1.87 0.00 0.00 60.65 58.61 2ske h LYS 542 Cb 0.53 -0.16 -0.02 0.00 0.08 0.00 0.00 32.23 32.66 2ske h LYS 542 CO 0.03 0.72 -0.02 -0.07 -0.57 0.00 0.00 179.45 179.53 2ske h LEU 543 N 0.90 1.02 -0.64 2.94 3.38 -1.32 0.04 115.31 121.63 2ske h LEU 543 Ca 0.22 -0.30 -0.14 0.00 0.09 0.00 0.00 57.88 57.75 2ske h LEU 543 Cb 0.14 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 40.60 2ske h LEU 543 CO -0.02 1.08 -0.44 0.50 0.09 0.00 0.00 178.44 179.66 2ske h LYS 544 N 0.94 0.56 -0.09 1.13 3.11 -1.08 -2.20 116.57 118.94 2ske h LYS 544 Ca 0.16 -0.30 -0.19 0.00 -2.81 0.00 0.00 60.65 57.51 2ske h LYS 544 Cb 0.58 0.01 0.01 0.00 -1.00 0.00 0.00 32.23 31.83 2ske h LYS 544 CO 0.03 0.89 -0.70 0.35 -2.81 0.00 0.00 179.45 177.21 2ske h PHE 545 N 0.46 0.89 -0.14 1.91 3.57 -1.10 -1.54 116.94 120.98 2ske h PHE 545 Ca 0.03 -0.42 0.02 0.00 3.53 0.00 0.00 57.97 61.14 2ske h PHE 545 Cb 0.95 -0.13 -0.01 0.00 2.79 0.00 0.00 35.95 39.55 2ske h PHE 545 CO 0.04 1.23 0.10 0.00 -2.23 0.00 0.00 178.31 177.44 2ske h ALA 546 N 0.47 2.03 0.00 2.41 0.00 -0.94 -0.75 119.26 122.49 2ske h ALA 546 Ca -0.06 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.81 2ske h ALA 546 Cb 1.35 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.13 2ske h ALA 546 CO 0.14 -0.06 -0.12 0.00 0.00 0.00 0.00 179.25 179.21 2ske h ALA 547 N 1.92 0.01 -1.01 0.00 0.00 -1.26 -3.19 119.26 115.74 2ske h ALA 547 Ca 0.06 -0.45 0.17 0.00 0.00 0.00 0.00 54.91 54.69 2ske h ALA 547 Cb 0.15 0.01 -0.10 0.00 0.00 0.00 0.00 17.79 17.84 2ske h ALA 547 CO -0.01 -0.00 0.62 -0.92 0.00 0.00 0.00 179.25 178.94 2ske h TYR 548 N -0.70 1.10 -0.34 0.00 5.03 -0.72 0.47 116.97 121.81 2ske h TYR 548 Ca -0.02 0.03 0.06 0.00 2.58 0.00 0.00 58.73 61.38 2ske h TYR 548 Cb 0.93 -0.34 -0.05 0.00 1.55 0.00 0.00 36.73 38.82 2ske h TYR 548 CO 0.21 0.31 0.02 -0.07 -1.32 0.00 0.00 178.16 177.31 2ske h LEU 549 N 0.84 -0.09 -0.44 2.82 4.07 -1.17 -0.92 115.31 120.42 2ske h LEU 549 Ca 0.55 0.07 -0.17 0.00 0.08 0.00 0.00 57.88 58.41 2ske h LEU 549 Cb 0.77 0.12 -0.01 0.00 1.08 0.00 0.00 40.66 42.61 2ske h LEU 549 CO -0.34 -0.01 -0.76 -0.33 -1.08 0.00 0.00 178.44 175.92 2ske h GLU 550 N 0.13 0.21 0.16 1.13 5.08 -1.21 0.11 114.58 120.19 2ske h GLU 550 Ca 0.16 -0.19 -0.01 0.00 -1.00 0.00 0.00 59.36 58.33 2ske h GLU 550 Cb 0.21 0.04 0.00 0.00 0.50 0.00 0.00 28.75 29.51 2ske h GLU 550 CO -0.25 0.87 -0.09 0.00 -1.00 0.00 0.00 179.01 178.54 2ske h ARG 551 N 0.13 -0.22 0.00 2.33 3.08 -0.43 -3.01 114.38 116.27 2ske h ARG 551 Ca -0.03 0.01 0.00 0.00 0.07 0.00 0.00 59.98 60.04 2ske h ARG 551 Cb 1.33 0.05 0.00 0.00 0.08 0.00 0.00 29.97 31.43 2ske h ARG 551 CO 0.12 -0.15 -0.53 0.93 -1.07 0.00 0.00 179.97 179.27 2ske h GLU 552 N -0.23 0.00 0.00 0.04 3.07 -1.30 -3.41 114.58 112.75 2ske h GLU 552 Ca -0.02 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.84 2ske h GLU 552 Cb 0.18 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.09 2ske h GLU 552 CO 0.03 0.00 -0.79 0.66 -1.40 0.00 0.00 179.01 177.51 2ske n TYR 553 N -2.86 0.00 -2.64 4.33 4.01 -0.18 -5.08 117.16 114.74 2ske n TYR 553 Ca 0.02 0.00 -0.04 0.00 -0.16 0.00 0.00 57.90 57.71 2ske n TYR 553 Cb 0.54 0.00 -0.04 0.00 -0.31 0.00 0.00 39.34 39.53 2ske n TYR 553 CO 0.00 0.00 0.00 1.63 -0.46 0.00 0.00 176.86 178.03 2ske n LYS 554 N -1.25 -4.33 0.00 -0.72 4.76 0.21 -4.96 118.16 111.87 2ske n LYS 554 Ca 0.00 3.30 0.00 0.00 -2.87 0.00 0.00 58.31 58.74 2ske n LYS 554 Cb 0.05 -5.10 0.00 0.00 -1.84 0.00 0.00 35.03 28.14 2ske n LYS 554 CO 0.00 0.00 0.00 1.33 -1.37 0.00 0.00 177.40 177.36 2ske n VAL 555 N 1.50 0.00 -0.63 -0.18 0.24 -1.26 -5.01 118.33 112.99 2ske n VAL 555 Ca -0.33 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 61.97 2ske n VAL 555 Cb 0.51 0.00 0.00 0.00 -1.47 0.00 0.00 33.84 32.88 2ske n VAL 555 CO 0.00 0.00 0.00 1.57 -2.14 0.00 0.00 176.83 176.26 2ske n HIS 556 N 0.00 0.00 -3.75 6.34 -0.00 -1.26 -5.07 115.22 111.49 2ske n HIS 556 Ca 0.00 0.00 -0.10 0.00 0.46 0.00 0.00 57.72 58.08 2ske n HIS 556 Cb 0.00 -0.08 -0.06 0.00 -0.12 0.00 0.00 29.99 29.73 2ske n HIS 556 CO 0.00 0.00 0.00 0.96 0.46 0.00 0.00 176.34 177.76 2ske s ILE 557 N -2.37 0.10 -0.36 3.57 -4.36 -1.26 -5.09 121.20 111.43 2ske s ILE 557 Ca 0.00 -0.85 -0.13 0.00 -0.26 0.00 0.00 60.65 59.41 2ske s ILE 557 Cb 0.00 -1.21 -0.00 0.00 1.25 0.00 0.00 42.46 42.50 2ske s ILE 557 CO 0.00 -0.47 0.25 0.21 0.24 0.00 0.00 174.94 175.17 2ske s ASN 558 N -2.73 6.00 0.00 4.36 2.47 -1.26 -4.98 114.94 118.80 2ske s ASN 558 Ca 0.03 -0.60 0.14 0.00 0.42 0.00 0.00 52.86 52.85 2ske s ASN 558 Cb 0.03 -2.12 0.80 0.00 -1.45 0.00 0.00 41.25 38.50 2ske s ASN 558 CO -0.10 -0.30 1.34 -2.65 -3.72 0.00 0.00 177.10 171.67 2ske n PRO 559 N 5.10 0.33 0.05 0.43 -0.02 -1.26 -2.56 135.00 137.07 2ske n PRO 559 Ca -0.12 0.08 0.11 0.00 -2.02 0.00 0.00 63.50 61.55 2ske n PRO 559 Cb 0.49 -1.50 -0.01 0.00 -0.02 0.00 0.00 33.50 32.46 2ske n PRO 559 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 2ske n ASN 560 N -1.14 0.59 -4.68 2.55 5.03 -1.26 -4.89 115.26 111.46 2ske n ASN 560 Ca 0.09 0.02 -0.29 0.00 0.87 0.00 0.00 54.58 55.27 2ske n ASN 560 Cb 0.08 0.86 0.15 0.00 -1.02 0.00 0.00 39.78 39.85 2ske n ASN 560 CO 0.00 0.00 0.00 -0.94 -1.83 0.00 0.00 177.26 174.49 2ske s SER 561 N -4.51 3.18 0.00 6.41 1.04 -1.06 -4.97 113.70 113.80 2ske s SER 561 Ca 0.00 0.94 -0.30 0.00 0.48 0.00 0.00 55.95 57.07 2ske s SER 561 Cb 0.13 -1.48 -0.03 0.00 0.10 0.00 0.00 66.02 64.74 2ske s SER 561 CO 0.81 -2.75 0.99 -0.22 0.98 0.00 0.00 173.24 173.05 2ske s LEU 562 N -6.15 4.37 -0.70 2.42 0.20 -0.02 -4.83 118.68 113.98 2ske s LEU 562 Ca 0.65 1.68 -0.20 0.00 0.69 0.00 0.00 54.13 56.95 2ske s LEU 562 Cb -0.14 -3.57 0.10 0.00 -0.43 0.00 0.00 46.19 42.15 2ske s LEU 562 CO 0.54 -0.27 0.88 -0.36 -0.29 0.00 0.00 176.35 176.85 2ske s PHE 563 N 1.01 2.96 -0.62 5.38 0.40 -1.26 -0.64 117.98 125.20 2ske s PHE 563 Ca 0.52 -0.97 -0.21 0.00 -0.60 0.00 0.00 56.93 55.67 2ske s PHE 563 Cb -0.21 -4.16 0.08 0.00 0.51 0.00 0.00 43.02 39.24 2ske s PHE 563 CO 0.28 -1.44 0.83 0.34 0.70 0.00 0.00 175.22 175.93 2ske s ASP 564 N 3.57 6.18 -0.06 1.36 -1.08 -0.03 -1.64 116.67 124.98 2ske s ASP 564 Ca 0.20 -1.17 0.05 0.00 -0.52 0.00 0.00 52.55 51.11 2ske s ASP 564 Cb -0.17 -2.36 -0.01 0.00 -1.46 0.00 0.00 42.92 38.92 2ske s ASP 564 CO 0.03 -1.26 -0.23 0.54 0.52 0.00 0.00 175.17 174.77 2ske s VAL 565 N 3.36 1.89 -0.31 1.11 0.11 -0.69 0.22 120.40 126.09 2ske s VAL 565 Ca 0.17 -0.97 0.02 0.00 -2.93 0.00 0.00 61.98 58.27 2ske s VAL 565 Cb -0.20 -1.61 0.09 0.00 -1.53 0.00 0.00 36.38 33.13 2ske s VAL 565 CO 0.09 0.53 0.05 -1.58 -3.33 0.00 0.00 175.10 170.86 2ske s GLN 566 N -0.07 1.23 -0.16 1.54 0.74 -0.10 -2.45 119.66 120.40 2ske s GLN 566 Ca -0.05 -1.47 0.01 0.00 0.05 0.00 0.00 55.36 53.90 2ske s GLN 566 Cb -0.14 -2.69 0.02 0.00 1.10 0.00 0.00 33.01 31.31 2ske s GLN 566 CO 0.04 -0.91 -0.17 0.14 -0.55 0.00 0.00 175.29 173.84 2ske s VAL 567 N 1.22 1.78 -0.07 1.34 -7.23 -1.26 -1.92 120.40 114.27 2ske s VAL 567 Ca 0.08 -0.77 -0.31 0.00 -1.81 0.00 0.00 61.98 59.17 2ske s VAL 567 Cb -0.18 -1.63 0.12 0.00 0.56 0.00 0.00 36.38 35.24 2ske s VAL 567 CO -0.14 0.49 1.37 -1.59 -0.31 0.00 0.00 175.10 174.93 2ske s LYS 568 N 1.31 0.13 0.59 4.82 0.00 -0.76 -4.98 119.74 120.86 2ske s LYS 568 Ca 0.03 -0.08 -0.20 0.00 0.00 0.00 0.00 55.97 55.72 2ske s LYS 568 Cb -0.13 0.04 -0.03 0.00 0.00 0.00 0.00 37.83 37.71 2ske s LYS 568 CO -0.10 -0.06 1.31 1.03 0.00 0.00 0.00 175.35 177.53 2ske s ARG 569 N -2.07 2.87 -0.23 1.78 1.81 -1.26 -3.87 118.95 117.98 2ske s ARG 569 Ca 0.23 2.11 -0.29 0.00 -1.72 0.00 0.00 55.73 56.06 2ske s ARG 569 Cb 0.03 -2.04 0.00 0.00 -0.45 0.00 0.00 34.95 32.50 2ske s ARG 569 CO -0.04 -1.36 1.13 0.42 -0.68 0.00 0.00 175.30 174.76 2ske s ILE 570 N -1.37 4.51 0.06 1.52 -1.09 -0.73 -4.86 121.20 119.24 2ske s ILE 570 Ca 0.77 1.81 -0.04 0.00 -2.23 0.00 0.00 60.65 60.95 2ske s ILE 570 Cb -0.38 -4.22 -0.02 0.00 -1.58 0.00 0.00 42.46 36.26 2ske s ILE 570 CO 0.42 -0.22 0.07 -1.00 -1.23 0.00 0.00 174.94 172.98 2ske s HIS 571 N 3.41 0.34 0.15 3.97 3.76 -1.26 -4.78 115.29 120.88 2ske s HIS 571 Ca 0.48 -0.81 0.10 0.00 -0.15 0.00 0.00 55.06 54.68 2ske s HIS 571 Cb -0.17 -0.23 0.08 0.00 1.11 0.00 0.00 32.58 33.37 2ske s HIS 571 CO 0.11 -0.44 1.45 0.93 -0.85 0.00 0.00 174.74 175.93 2ske h GLU 572 N 3.08 0.00 0.00 1.40 5.08 -1.98 -3.16 114.58 119.00 2ske h GLU 572 Ca -0.34 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.02 2ske h GLU 572 Cb 1.17 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.42 2ske h GLU 572 CO 0.60 0.77 0.00 0.10 -1.00 0.00 0.00 179.01 179.48 2ske h TYR 573 N 0.00 0.00 0.00 4.33 -0.00 -1.97 -3.09 116.97 116.23 2ske h TYR 573 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 58.73 58.72 2ske h TYR 573 Cb 1.43 0.00 0.00 0.00 0.00 0.00 0.00 36.73 38.16 2ske h TYR 573 CO 0.00 0.00 -0.23 1.63 -0.00 0.00 0.00 178.16 179.56 2ske n LYS 574 N -3.05 0.26 -3.62 0.10 4.76 -1.20 -3.08 118.16 112.33 2ske n LYS 574 Ca 0.04 0.16 -0.20 0.00 -2.87 0.00 0.00 58.31 55.43 2ske n LYS 574 Cb 0.51 -1.75 0.05 0.00 -1.84 0.00 0.00 35.03 32.00 2ske n LYS 574 CO 0.00 0.00 0.00 0.54 -1.37 0.00 0.00 177.40 176.57 2ske n ARG 575 N -2.18 -5.56 0.29 1.97 1.74 -1.17 -4.09 116.66 107.67 2ske n ARG 575 Ca 0.05 0.70 0.14 0.00 -0.77 0.00 0.00 57.85 57.96 2ske n ARG 575 Cb 0.43 -5.42 0.87 0.00 -1.02 0.00 0.00 32.46 27.31 2ske n ARG 575 CO 0.00 0.00 0.00 1.96 -1.52 0.00 0.00 177.63 178.07 2ske h GLN 576 N -1.91 0.00 -0.44 5.56 7.50 -1.87 0.36 115.11 124.30 2ske h GLN 576 Ca -0.60 0.00 -0.03 0.00 0.50 0.00 0.00 58.65 58.52 2ske h GLN 576 Cb 1.35 0.00 -0.02 0.00 0.05 0.00 0.00 27.48 28.86 2ske h GLN 576 CO 0.55 0.01 0.14 -0.07 -1.50 0.00 0.00 178.83 177.96 2ske h LEU 577 N 0.00 0.58 -0.72 1.46 3.38 -1.89 0.33 115.31 118.45 2ske h LEU 577 Ca -0.00 -0.08 -0.12 0.00 0.09 0.00 0.00 57.88 57.78 2ske h LEU 577 Cb 0.03 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 40.62 2ske h LEU 577 CO 0.00 0.56 -0.26 0.25 0.09 0.00 0.00 178.44 179.08 2ske h LEU 578 N 0.63 0.70 -0.43 1.67 5.85 -1.29 -1.16 115.31 121.28 2ske h LEU 578 Ca 0.15 -0.26 -0.03 0.00 0.84 0.00 0.00 57.88 58.58 2ske h LEU 578 Cb 0.19 -0.19 -0.02 0.00 0.37 0.00 0.00 40.66 41.00 2ske h LEU 578 CO -0.01 0.94 0.16 -1.13 -0.34 0.00 0.00 178.44 178.06 2ske h ASN 579 N 0.60 0.61 -0.43 1.25 -0.00 -1.10 -2.55 115.58 113.95 2ske h ASN 579 Ca 0.08 -0.18 0.05 0.00 -0.00 0.00 0.00 56.30 56.25 2ske h ASN 579 Cb 0.76 -0.16 -0.05 0.00 -0.00 0.00 0.00 38.32 38.87 2ske h ASN 579 CO 0.06 0.63 0.16 0.00 -0.00 0.00 0.00 177.43 178.28 2ske h LEU 581 N 0.33 0.86 -0.30 0.00 3.38 -0.86 -1.00 115.31 117.72 2ske h LEU 581 Ca 0.20 0.02 -0.11 0.00 0.09 0.00 0.00 57.88 58.08 2ske h LEU 581 Cb 0.18 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 40.76 2ske h LEU 581 CO -0.19 0.51 -0.25 -0.74 0.09 0.00 0.00 178.44 177.86 2ske h HIS 582 N 0.95 0.84 -0.61 1.13 2.76 -0.94 -1.87 115.15 117.40 2ske h HIS 582 Ca 0.42 -0.24 0.02 0.00 -2.20 0.00 0.00 60.37 58.38 2ske h HIS 582 Cb 0.36 -0.18 -0.04 0.00 1.55 0.00 0.00 27.41 29.10 2ske h HIS 582 CO -0.00 0.97 0.39 0.28 -1.30 0.00 0.00 177.93 178.27 2ske h VAL 583 N 0.46 1.10 -0.21 5.26 2.07 -0.25 -1.10 116.25 123.57 2ske h VAL 583 Ca 0.06 -0.26 -0.08 0.00 0.82 0.00 0.00 66.70 67.23 2ske h VAL 583 Cb 0.81 0.26 -0.01 0.00 -1.52 0.00 0.00 31.29 30.83 2ske h VAL 583 CO 0.06 0.14 -0.24 0.40 0.02 0.00 0.00 177.57 177.96 2ske h ILE 584 N 0.77 1.25 -0.27 4.57 2.04 -1.17 -2.17 117.51 122.52 2ske h ILE 584 Ca 0.24 -1.18 -0.02 0.00 1.00 0.00 0.00 64.86 64.90 2ske h ILE 584 Cb -0.01 1.35 -0.01 0.00 -0.74 0.00 0.00 36.82 37.41 2ske h ILE 584 CO -0.09 0.37 0.08 0.74 0.00 0.00 0.00 178.15 179.26 2ske h THR 585 N 0.35 1.20 -0.79 -0.27 2.02 -0.56 -0.51 112.91 114.35 2ske h THR 585 Ca 0.06 -0.64 0.04 0.00 0.77 0.00 0.00 66.41 66.63 2ske h THR 585 Cb 0.61 1.11 -0.05 0.00 -1.74 0.00 0.00 68.15 68.08 2ske h THR 585 CO 0.04 0.21 0.50 -0.07 0.37 0.00 0.00 175.52 176.58 2ske h LEU 586 N 0.27 0.82 0.34 2.58 4.07 -0.99 -0.77 115.31 121.64 2ske h LEU 586 Ca 0.09 -0.00 -0.02 0.00 0.08 0.00 0.00 57.88 58.03 2ske h LEU 586 Cb 0.24 -0.18 0.00 0.00 1.08 0.00 0.00 40.66 41.81 2ske h LEU 586 CO -0.00 0.56 -0.17 0.22 -1.08 0.00 0.00 178.44 177.98 2ske h TYR 587 N 0.97 -0.43 -0.25 1.13 3.20 -1.08 -2.09 116.97 118.42 2ske h TYR 587 Ca 0.32 -0.01 -0.00 0.00 3.14 0.00 0.00 58.73 62.18 2ske h TYR 587 Cb 0.03 0.14 -0.01 0.00 1.54 0.00 0.00 36.73 38.43 2ske h TYR 587 CO -0.03 -0.27 0.13 -0.91 -1.64 0.00 0.00 178.16 175.45 2ske h ASN 588 N -0.46 0.30 0.21 -2.11 2.35 -0.72 -1.51 115.58 113.64 2ske h ASN 588 Ca -0.05 -0.01 -0.17 0.00 -0.55 0.00 0.00 56.30 55.52 2ske h ASN 588 Cb 0.35 -0.07 -0.01 0.00 0.05 0.00 0.00 38.32 38.64 2ske h ASN 588 CO 0.07 0.25 -0.64 0.03 -1.65 0.00 0.00 177.43 175.49 2ske h ARG 589 N 0.34 0.41 -0.38 0.81 3.08 -0.95 -2.43 114.38 115.26 2ske h ARG 589 Ca 0.09 -0.29 -0.15 0.00 0.07 0.00 0.00 59.98 59.70 2ske h ARG 589 Cb 0.02 0.05 -0.01 0.00 0.08 0.00 0.00 29.97 30.11 2ske h ARG 589 CO -0.01 0.91 -0.33 0.82 -1.07 0.00 0.00 179.97 180.29 2ske h ILE 590 N 0.30 1.28 0.00 2.04 2.04 -0.69 -2.35 117.51 120.12 2ske h ILE 590 Ca -0.01 -1.50 -0.03 0.00 1.00 0.00 0.00 64.86 64.32 2ske h ILE 590 Cb 1.18 1.38 -0.00 0.00 -0.74 0.00 0.00 36.82 38.64 2ske h ILE 590 CO 0.11 0.50 -0.14 0.11 0.00 0.00 0.00 178.15 178.73 2ske h LYS 591 N 0.70 0.00 0.02 2.37 1.79 -1.25 -0.50 116.57 119.70 2ske h LYS 591 Ca 0.07 0.00 -0.06 0.00 -2.18 0.00 0.00 60.65 58.48 2ske h LYS 591 Cb 0.92 0.00 0.01 0.00 -1.58 0.00 0.00 32.23 31.57 2ske h LYS 591 CO 0.08 0.14 -0.24 -0.22 -1.08 0.00 0.00 179.45 178.14 2ske h LYS 592 N 0.00 0.13 -2.64 3.15 1.63 -1.22 -3.39 116.57 114.24 2ske h LYS 592 Ca -0.00 -0.17 -0.60 0.00 -0.85 0.00 0.00 60.65 59.03 2ske h LYS 592 Cb 0.50 0.05 -0.40 0.00 -0.60 0.00 0.00 32.23 31.78 2ske h LYS 592 CO 0.02 0.96 -0.79 0.39 -3.45 0.00 0.00 179.45 176.58 2ske n GLU 593 N -4.50 1.09 -0.20 1.90 1.02 -0.91 -4.99 120.64 114.05 2ske n GLU 593 Ca -0.10 -3.85 -0.01 0.00 -0.02 0.00 0.00 57.16 53.18 2ske n GLU 593 Cb 0.52 -1.95 0.10 0.00 -0.02 0.00 0.00 31.44 30.10 2ske n GLU 593 CO 0.00 0.00 0.00 -1.35 1.18 0.00 0.00 177.13 176.96 2ske h PRO 594 N 5.32 0.44 -0.89 3.49 0.11 -1.30 -2.74 132.00 136.42 2ske h PRO 594 Ca 0.20 -0.03 -0.01 0.00 0.11 0.00 0.00 66.00 66.28 2ske h PRO 594 Cb 0.82 -0.10 -0.01 0.00 0.11 0.00 0.00 31.00 31.83 2ske h PRO 594 CO 0.56 0.29 0.01 0.09 -0.21 0.00 0.00 178.00 178.74 2ske n ASN 595 N -4.96 2.35 -4.85 -2.05 4.13 -1.26 -4.83 115.26 103.79 2ske n ASN 595 Ca 0.08 -2.27 -0.37 0.00 1.68 0.00 0.00 54.58 53.71 2ske n ASN 595 Cb 0.25 -0.55 -0.06 0.00 -1.54 0.00 0.00 39.78 37.87 2ske n ASN 595 CO 0.00 0.00 0.00 -0.75 0.28 0.00 0.00 177.26 176.79 2ske s LYS 596 N -1.45 3.48 0.15 3.52 2.36 -1.04 -5.08 119.74 121.69 2ske s LYS 596 Ca 0.15 -0.15 -0.30 0.00 -2.55 0.00 0.00 55.97 53.11 2ske s LYS 596 Cb 0.11 -3.19 -0.07 0.00 -1.05 0.00 0.00 37.83 33.64 2ske s LYS 596 CO 0.04 0.73 1.04 0.12 1.55 0.00 0.00 175.35 178.84 2ske s PHE 597 N -0.90 3.69 0.01 4.03 5.36 -1.26 -5.04 117.98 123.87 2ske s PHE 597 Ca 0.14 1.68 -0.01 0.00 -0.96 0.00 0.00 56.93 57.79 2ske s PHE 597 Cb -0.12 -3.18 -0.01 0.00 -0.34 0.00 0.00 43.02 39.37 2ske s PHE 597 CO 0.03 -0.27 -0.01 0.14 -1.46 0.00 0.00 175.22 173.66 2ske s VAL 598 N -0.17 0.07 0.04 3.12 -7.23 -1.26 -5.12 120.40 109.85 2ske s VAL 598 Ca 0.48 -0.59 -0.30 0.00 -1.81 0.00 0.00 61.98 59.76 2ske s VAL 598 Cb -0.27 -0.19 -0.08 0.00 0.56 0.00 0.00 36.38 36.41 2ske s VAL 598 CO 0.33 -0.32 1.65 -0.69 -0.31 0.00 0.00 175.10 175.75 2ske s VAL 599 N -0.96 3.20 0.51 1.32 1.01 -1.26 -4.96 120.40 119.26 2ske s VAL 599 Ca -0.10 0.55 -0.23 0.00 0.00 0.00 0.00 61.98 62.20 2ske s VAL 599 Cb -0.06 -3.36 -0.06 0.00 0.00 0.00 0.00 36.38 32.90 2ske s VAL 599 CO -0.01 -0.01 1.31 -2.84 0.00 0.00 0.00 175.10 173.55 2ske s PRO 600 N 2.98 3.39 -0.03 2.72 0.02 -1.26 -4.91 135.00 137.91 2ske s PRO 600 Ca 0.74 2.13 -0.05 0.00 0.02 0.00 0.00 61.00 63.84 2ske s PRO 600 Cb -0.38 -2.36 0.01 0.00 0.02 0.00 0.00 34.50 31.79 2ske s PRO 600 CO 0.32 -0.96 0.12 1.03 -0.33 0.00 0.00 177.00 177.18 2ske s ARG 601 N -2.78 0.28 -0.29 5.54 0.52 -0.36 -0.84 118.95 121.02 2ske s ARG 601 Ca 0.68 -0.08 0.01 0.00 -0.52 0.00 0.00 55.73 55.81 2ske s ARG 601 Cb -0.38 0.12 0.06 0.00 0.52 0.00 0.00 34.95 35.28 2ske s ARG 601 CO 0.45 -0.05 -0.03 0.99 0.02 0.00 0.00 175.30 176.68 2ske s THR 602 N -0.56 2.60 -0.29 0.02 2.01 0.19 -1.85 115.64 117.76 2ske s THR 602 Ca -0.06 -1.62 -0.11 0.00 0.31 0.00 0.00 61.69 60.20 2ske s THR 602 Cb -0.04 -2.57 -0.04 0.00 0.01 0.00 0.00 72.50 69.86 2ske s THR 602 CO 0.01 -0.16 0.19 0.68 -0.69 0.00 0.00 174.62 174.65 2ske s VAL 603 N 1.15 5.24 -0.21 3.82 -7.23 -0.37 -0.85 120.40 121.94 2ske s VAL 603 Ca -0.04 0.08 -0.04 0.00 -1.81 0.00 0.00 61.98 60.16 2ske s VAL 603 Cb -0.20 -3.53 -0.01 0.00 0.56 0.00 0.00 36.38 33.20 2ske s VAL 603 CO -0.04 0.21 -0.03 -0.04 -0.31 0.00 0.00 175.10 174.89 2ske s MET 604 N 1.74 3.47 -0.15 4.82 -1.94 0.13 -1.56 119.30 125.81 2ske s MET 604 Ca 0.07 -0.59 0.02 0.00 -1.71 0.00 0.00 55.69 53.48 2ske s MET 604 Cb -0.16 -3.02 0.01 0.00 2.01 0.00 0.00 34.83 33.67 2ske s MET 604 CO 0.10 -0.11 -0.21 0.42 -0.01 0.00 0.00 175.02 175.21 2ske s ILE 605 N 1.27 2.08 0.03 2.53 1.01 -0.52 -0.92 121.20 126.68 2ske s ILE 605 Ca 0.03 -0.96 0.00 0.00 0.00 0.00 0.00 60.65 59.72 2ske s ILE 605 Cb -0.14 -1.84 -0.03 0.00 0.01 0.00 0.00 42.46 40.46 2ske s ILE 605 CO -0.01 0.55 -0.04 -0.83 0.00 0.00 0.00 174.94 174.61 2ske s GLY 606 N 0.93 0.37 0.00 6.18 0.00 -0.81 -0.91 107.32 113.08 2ske s GLY 606 Ca -0.04 -0.80 0.00 0.00 0.00 0.00 0.00 44.72 43.88 2ske s GLY 606 CO -0.05 -0.87 0.00 0.61 0.00 0.00 0.00 173.10 172.79 2ske n GLY 607 N 1.16 3.27 3.77 0.20 0.00 -1.25 -1.83 105.19 110.52 2ske n GLY 607 Ca -0.21 -0.97 -0.33 0.00 0.00 0.00 0.00 46.02 44.51 2ske n GLY 607 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2ske s LYS 608 N -2.12 3.06 -0.09 1.61 1.02 -1.26 -4.70 119.74 117.25 2ske s LYS 608 Ca 0.00 -0.48 -0.02 0.00 0.02 0.00 0.00 55.97 55.50 2ske s LYS 608 Cb 0.00 -2.86 -0.03 0.00 -0.52 0.00 0.00 37.83 34.42 2ske s LYS 608 CO 0.00 0.65 -0.01 0.00 -0.92 0.00 0.00 175.35 175.07 2ske s ALA 609 N -1.16 3.20 0.33 5.17 0.00 -1.26 -1.77 121.76 126.26 2ske s ALA 609 Ca 0.22 -0.82 -0.29 0.00 0.00 0.00 0.00 51.96 51.07 2ske s ALA 609 Cb -0.12 -1.46 -0.11 0.00 0.00 0.00 0.00 23.12 21.43 2ske s ALA 609 CO 0.13 0.52 1.52 0.00 0.00 0.00 0.00 175.76 177.93 2ske s ALA 610 N -0.66 3.65 0.46 0.00 0.00 -1.26 -4.87 121.76 119.07 2ske s ALA 610 Ca 0.10 1.54 0.26 0.00 0.00 0.00 0.00 51.96 53.86 2ske s ALA 610 Cb -0.12 -3.62 1.29 0.00 0.00 0.00 0.00 23.12 20.68 2ske s ALA 610 CO 0.02 -0.98 1.78 -1.35 0.00 0.00 0.00 175.76 175.23 2ske h PRO 611 N 3.94 0.22 -0.01 0.00 0.11 -1.98 -1.40 132.00 132.88 2ske h PRO 611 Ca -0.49 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.61 2ske h PRO 611 Cb 1.23 -0.05 0.00 0.00 0.11 0.00 0.00 31.00 32.29 2ske h PRO 611 CO 0.72 0.15 -0.35 0.41 -0.21 0.00 0.00 178.00 178.71 2ske n GLY 612 N -1.59 -0.27 3.55 -0.55 0.00 -1.26 -4.78 105.19 100.29 2ske n GLY 612 Ca 0.26 -0.52 -0.41 0.00 0.00 0.00 0.00 46.02 45.35 2ske n GLY 612 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 2ske s TYR 613 N -2.47 2.46 0.11 1.61 6.14 -0.53 -4.88 117.35 119.79 2ske s TYR 613 Ca 0.22 -0.61 -0.21 0.00 0.64 0.00 0.00 57.07 57.11 2ske s TYR 613 Cb 0.19 -4.67 -0.09 0.00 0.42 0.00 0.00 41.96 37.80 2ske s TYR 613 CO 0.54 -1.97 1.75 1.25 0.64 0.00 0.00 175.55 177.75 2ske h HIS 614 N 9.85 0.18 -0.46 4.97 -0.00 -1.86 -2.47 115.15 125.37 2ske h HIS 614 Ca 0.05 0.00 0.03 0.00 -0.00 0.00 0.00 60.37 60.45 2ske h HIS 614 Cb 1.02 -0.06 -0.03 0.00 -0.00 0.00 0.00 27.41 28.34 2ske h HIS 614 CO 1.23 0.14 0.25 1.98 -0.00 0.00 0.00 177.93 181.53 2ske h MET 615 N 0.18 0.48 -0.98 5.26 -1.53 -1.98 -1.01 114.93 115.35 2ske h MET 615 Ca 0.05 -0.03 0.05 0.00 -3.44 0.00 0.00 59.70 56.33 2ske h MET 615 Cb 0.00 -0.11 -0.06 0.00 -0.55 0.00 0.00 31.60 30.88 2ske h MET 615 CO -0.01 0.32 0.64 0.00 0.14 0.00 0.00 176.91 178.00 2ske h ALA 616 N 1.22 1.39 0.00 0.39 0.00 -1.87 -0.73 119.26 119.66 2ske h ALA 616 Ca 0.19 -0.04 -0.08 0.00 0.00 0.00 0.00 54.91 54.98 2ske h ALA 616 Cb 0.06 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 17.51 2ske h ALA 616 CO -0.11 0.50 -0.38 0.87 0.00 0.00 0.00 179.25 180.13 2ske h LYS 617 N 1.21 0.00 -0.03 0.00 1.57 -0.94 -2.63 116.57 115.75 2ske h LYS 617 Ca 0.40 0.00 -0.17 0.00 -1.87 0.00 0.00 60.65 59.02 2ske h LYS 617 Cb 0.07 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.37 2ske h LYS 617 CO -0.14 0.38 -0.73 0.52 -0.57 0.00 0.00 179.45 178.91 2ske h MET 618 N 0.00 0.20 -0.35 3.15 2.86 0.13 -2.98 114.93 117.94 2ske h MET 618 Ca -0.00 -0.17 -0.16 0.00 -2.06 0.00 0.00 59.70 57.31 2ske h MET 618 Cb 0.89 0.04 -0.01 0.00 0.06 0.00 0.00 31.60 32.59 2ske h MET 618 CO 0.05 0.84 -0.40 0.82 1.06 0.00 0.00 176.91 179.28 2ske h ILE 619 N 0.13 1.28 -0.52 -1.22 2.04 -0.85 -2.15 117.51 116.21 2ske h ILE 619 Ca -0.02 -1.58 -0.03 0.00 1.00 0.00 0.00 64.86 64.23 2ske h ILE 619 Cb 1.29 1.43 -0.02 0.00 -0.74 0.00 0.00 36.82 38.77 2ske h ILE 619 CO 0.11 0.52 0.20 0.40 0.00 0.00 0.00 178.15 179.38 2ske h ILE 620 N 0.70 1.19 -0.08 -0.67 2.04 -1.46 -0.93 117.51 118.31 2ske h ILE 620 Ca 0.05 -0.62 -0.12 0.00 1.00 0.00 0.00 64.86 65.17 2ske h ILE 620 Cb 0.98 0.59 -0.01 0.00 -0.74 0.00 0.00 36.82 37.64 2ske h ILE 620 CO 0.09 0.24 -0.51 0.50 0.00 0.00 0.00 178.15 178.47 2ske h LYS 621 N 0.74 0.20 -0.20 2.37 1.63 -1.35 -2.40 116.57 117.55 2ske h LYS 621 Ca 0.18 -0.12 -0.07 0.00 -0.85 0.00 0.00 60.65 59.79 2ske h LYS 621 Cb 0.16 0.01 -0.00 0.00 -0.60 0.00 0.00 32.23 31.80 2ske h LYS 621 CO -0.02 0.67 -0.15 1.25 -3.45 0.00 0.00 179.45 177.76 2ske h LEU 622 N 0.16 0.48 0.20 5.20 6.46 -0.69 0.03 115.31 127.15 2ske h LEU 622 Ca 0.00 -0.44 0.01 0.00 -0.12 0.00 0.00 57.88 57.33 2ske h LEU 622 Cb 0.96 -0.13 -0.03 0.00 -0.73 0.00 0.00 40.66 40.73 2ske h LEU 622 CO 0.08 0.82 -0.27 0.40 -0.62 0.00 0.00 178.44 178.85 2ske h ILE 623 N 0.15 0.42 -0.60 4.05 2.04 -1.09 0.76 117.51 123.23 2ske h ILE 623 Ca 0.04 0.00 -0.01 0.00 1.00 0.00 0.00 64.86 65.89 2ske h ILE 623 Cb 0.66 0.42 -0.03 0.00 -0.74 0.00 0.00 36.82 37.13 2ske h ILE 623 CO 0.04 0.00 0.32 0.71 0.00 0.00 0.00 178.15 179.22 2ske h THR 624 N -0.53 1.18 -0.91 -0.27 1.35 -1.43 -2.02 112.91 110.28 2ske h THR 624 Ca 0.01 -0.47 -0.01 0.00 -0.55 0.00 0.00 66.41 65.39 2ske h THR 624 Cb 0.52 0.38 -0.04 0.00 -1.73 0.00 0.00 68.15 67.28 2ske h THR 624 CO -0.10 0.21 0.54 0.00 -0.25 0.00 0.00 175.52 175.92 2ske h ALA 625 N 1.52 1.16 -0.45 6.62 0.00 -0.13 -1.37 119.26 126.62 2ske h ALA 625 Ca 0.21 -0.11 -0.05 0.00 0.00 0.00 0.00 54.91 54.96 2ske h ALA 625 Cb 0.03 -0.37 -0.02 0.00 0.00 0.00 0.00 17.79 17.44 2ske h ALA 625 CO -0.03 0.63 0.07 0.82 0.00 0.00 0.00 179.25 180.74 2ske h ILE 626 N 1.26 1.25 -0.22 0.00 2.04 -0.24 -2.84 117.51 118.76 2ske h ILE 626 Ca 0.33 -0.90 -0.03 0.00 1.00 0.00 0.00 64.86 65.26 2ske h ILE 626 Cb -0.04 0.95 -0.01 0.00 -0.74 0.00 0.00 36.82 36.98 2ske h ILE 626 CO -0.06 0.32 0.02 1.23 0.00 0.00 0.00 178.15 179.66 2ske h GLY 627 N 0.62 0.34 1.04 5.37 0.00 -0.84 0.13 103.07 109.72 2ske h GLY 627 Ca 0.14 -0.17 -0.04 0.00 0.00 0.00 0.00 47.33 47.27 2ske h GLY 627 CO 0.01 0.16 0.36 -0.55 0.00 0.00 0.00 176.54 176.52 2ske h ASP 628 N 0.31 1.08 0.04 0.19 3.32 -1.02 -0.27 116.42 120.06 2ske h ASP 628 Ca 0.07 -0.15 -0.00 0.00 0.02 0.00 0.00 57.03 56.97 2ske h ASP 628 Cb 0.18 -0.28 0.00 0.00 0.22 0.00 0.00 39.33 39.45 2ske h ASP 628 CO 0.00 0.93 -0.02 0.58 -1.72 0.00 0.00 179.24 179.01 2ske h VAL 629 N 1.15 0.86 -0.02 -1.35 2.07 -1.32 -3.34 116.25 114.31 2ske h VAL 629 Ca 0.27 -1.55 0.00 0.00 0.82 0.00 0.00 66.70 66.24 2ske h VAL 629 Cb 0.16 1.60 -0.00 0.00 -1.52 0.00 0.00 31.29 31.53 2ske h VAL 629 CO -0.03 0.28 0.01 0.58 0.02 0.00 0.00 177.57 178.43 2ske h VAL 630 N -0.98 1.02 0.00 2.57 2.07 -0.79 -3.00 116.25 117.14 2ske h VAL 630 Ca -0.01 -0.06 0.00 0.00 0.82 0.00 0.00 66.70 67.46 2ske h VAL 630 Cb 0.50 1.03 0.00 0.00 -1.52 0.00 0.00 31.29 31.30 2ske h VAL 630 CO 0.01 0.02 0.00 0.59 0.02 0.00 0.00 177.57 178.21 2ske n ASN 631 N -5.07 0.00 -0.04 0.57 3.02 -0.11 -2.73 115.26 110.90 2ske n ASN 631 Ca -0.07 0.39 0.04 0.00 -0.03 0.00 0.00 54.58 54.91 2ske n ASN 631 Cb 0.04 -0.44 0.05 0.00 -0.61 0.00 0.00 39.78 38.82 2ske n ASN 631 CO 0.00 0.00 0.00 1.41 -2.62 0.00 0.00 177.26 176.05 2ske n HIS 632 N -1.44 0.00 -3.03 3.10 8.25 -1.14 -4.96 115.22 116.00 2ske n HIS 632 Ca 0.03 -0.65 -0.42 0.00 -0.26 0.00 0.00 57.72 56.42 2ske n HIS 632 Cb 0.11 -0.08 -0.06 0.00 1.12 0.00 0.00 29.99 31.07 2ske n HIS 632 CO 0.00 0.00 0.00 0.34 0.64 0.00 0.00 176.34 177.32 2ske s ASP 633 N -1.65 6.50 0.37 0.41 -1.08 -1.11 -4.93 116.67 115.18 2ske s ASP 633 Ca 0.12 0.27 0.05 0.00 -0.52 0.00 0.00 52.55 52.47 2ske s ASP 633 Cb 0.10 -2.36 0.70 0.00 -1.46 0.00 0.00 42.92 39.90 2ske s ASP 633 CO 0.01 -0.66 1.98 -0.65 0.52 0.00 0.00 175.17 176.37 2ske h PRO 634 N 8.45 0.62 -0.05 4.34 0.11 -1.93 -2.29 132.00 141.24 2ske h PRO 634 Ca -0.25 -0.07 -0.06 0.00 0.11 0.00 0.00 66.00 65.73 2ske h PRO 634 Cb 1.10 -0.12 -0.01 0.00 0.11 0.00 0.00 31.00 32.08 2ske h PRO 634 CO 0.87 0.48 -0.24 0.28 -0.21 0.00 0.00 178.00 179.18 2ske h VAL 635 N 0.62 1.20 -0.22 3.15 2.07 -1.97 -2.72 116.25 118.39 2ske h VAL 635 Ca 0.16 -0.95 -0.18 0.00 0.82 0.00 0.00 66.70 66.55 2ske h VAL 635 Cb 0.07 1.44 -0.00 0.00 -1.52 0.00 0.00 31.29 31.28 2ske h VAL 635 CO -0.02 0.28 -0.59 0.58 0.02 0.00 0.00 177.57 177.84 2ske h VAL 636 N 0.08 1.30 0.00 2.57 2.07 -1.76 -3.48 116.25 117.04 2ske h VAL 636 Ca 0.01 -1.82 0.00 0.00 0.82 0.00 0.00 66.70 65.72 2ske h VAL 636 Cb 0.48 1.76 0.00 0.00 -1.52 0.00 0.00 31.29 32.02 2ske h VAL 636 CO 0.03 0.58 0.00 0.61 0.02 0.00 0.00 177.57 178.81 2ske n GLY 637 N 0.37 2.71 1.42 2.17 0.00 -1.03 -2.73 105.19 108.10 2ske n GLY 637 Ca -0.04 -0.32 0.09 0.00 0.00 0.00 0.00 46.02 45.75 2ske n GLY 637 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2ske n ASP 638 N 4.22 4.48 0.15 1.61 5.68 -1.26 -4.45 116.55 126.98 2ske n ASP 638 Ca 0.00 -2.45 0.13 0.00 -0.50 0.00 0.00 54.79 51.97 2ske n ASP 638 Cb 0.00 -0.54 0.31 0.00 -1.14 0.00 0.00 41.12 39.75 2ske n ASP 638 CO 0.00 0.00 0.00 0.03 -1.33 0.00 0.00 177.20 175.90 2ske h ARG 639 N 3.65 0.00 -2.23 0.11 3.08 -1.86 -3.43 114.38 113.70 2ske h ARG 639 Ca 0.00 0.00 -0.00 0.00 0.07 0.00 0.00 59.98 60.05 2ske h ARG 639 Cb 1.37 0.00 -0.23 0.00 0.08 0.00 0.00 29.97 31.18 2ske h ARG 639 CO 0.20 0.00 -0.24 -1.17 -1.07 0.00 0.00 179.97 177.69 2ske s LEU 640 N -5.17 -0.92 -0.02 3.04 2.96 -1.26 -1.22 118.68 116.10 2ske s LEU 640 Ca 0.09 1.31 0.05 0.00 -0.22 0.00 0.00 54.13 55.36 2ske s LEU 640 Cb 0.10 1.87 -0.01 0.00 0.50 0.00 0.00 46.19 48.65 2ske s LEU 640 CO 0.63 -0.23 -0.17 -0.13 -1.32 0.00 0.00 176.35 175.14 2ske s ARG 641 N 2.75 1.39 -0.28 1.98 1.81 -0.77 -4.63 118.95 121.21 2ske s ARG 641 Ca -0.04 -0.59 0.00 0.00 -1.72 0.00 0.00 55.73 53.38 2ske s ARG 641 Cb -0.12 -1.32 0.05 0.00 -0.45 0.00 0.00 34.95 33.11 2ske s ARG 641 CO -0.16 0.34 -0.06 0.08 -0.68 0.00 0.00 175.30 174.82 2ske s VAL 642 N -0.33 2.62 -0.07 3.52 1.01 -1.26 -1.24 120.40 124.65 2ske s VAL 642 Ca 0.05 -1.45 0.05 0.00 0.00 0.00 0.00 61.98 60.64 2ske s VAL 642 Cb -0.07 -2.50 -0.01 0.00 0.00 0.00 0.00 36.38 33.80 2ske s VAL 642 CO -0.00 -0.03 -0.23 -0.63 0.00 0.00 0.00 175.10 174.20 2ske s ILE 643 N 1.20 2.21 -0.33 2.22 1.09 -0.60 -4.53 121.20 122.44 2ske s ILE 643 Ca -0.06 -1.00 -0.14 0.00 -1.10 0.00 0.00 60.65 58.35 2ske s ILE 643 Cb -0.19 -1.82 -0.02 0.00 -1.06 0.00 0.00 42.46 39.37 2ske s ILE 643 CO -0.03 0.57 0.29 0.12 -0.10 0.00 0.00 174.94 175.78 2ske s PHE 644 N -0.10 3.22 -0.49 3.97 5.36 -1.26 -1.43 117.98 127.25 2ske s PHE 644 Ca -0.05 -0.07 -0.28 0.00 -0.96 0.00 0.00 56.93 55.56 2ske s PHE 644 Cb -0.14 -2.54 0.01 0.00 -0.34 0.00 0.00 43.02 40.00 2ske s PHE 644 CO 0.04 -0.36 1.45 -0.51 -1.46 0.00 0.00 175.22 174.38 2ske s LEU 645 N 1.85 3.48 0.41 6.12 1.02 -0.09 -4.95 118.68 126.53 2ske s LEU 645 Ca 0.09 0.55 -0.25 0.00 0.02 0.00 0.00 54.13 54.53 2ske s LEU 645 Cb -0.17 -3.25 -0.08 0.00 0.02 0.00 0.00 46.19 42.70 2ske s LEU 645 CO 0.11 -1.62 1.28 -0.70 0.02 0.00 0.00 176.35 175.43 2ske s GLU 646 N 5.34 3.93 -1.48 1.70 2.12 -1.26 -3.96 118.70 125.09 2ske s GLU 646 Ca 0.58 2.09 -0.04 0.00 0.36 0.00 0.00 54.97 57.96 2ske s GLU 646 Cb -0.12 -2.70 0.03 0.00 0.26 0.00 0.00 34.13 31.60 2ske s GLU 646 CO 0.28 -0.50 0.44 -1.71 -0.54 0.00 0.00 175.26 173.23 2ske n ASN 647 N 0.03 -0.74 -4.68 -1.70 5.15 -1.25 -4.84 115.26 107.24 2ske n ASN 647 Ca 0.04 -1.04 -0.46 0.00 -0.60 0.00 0.00 54.58 52.52 2ske n ASN 647 Cb 0.44 -2.81 -0.04 0.00 -0.53 0.00 0.00 39.78 36.84 2ske n ASN 647 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 2ske n TYR 648 N -4.42 2.33 -3.97 1.20 9.36 -1.25 -4.87 117.16 115.53 2ske n TYR 648 Ca -0.24 0.12 -0.12 0.00 3.32 0.00 0.00 57.90 60.98 2ske n TYR 648 Cb 0.65 -2.61 -0.01 0.00 -0.63 0.00 0.00 39.34 36.74 2ske n TYR 648 CO 0.00 0.00 0.00 -0.98 0.22 0.00 0.00 176.86 176.10 2ske s ARG 649 N 2.33 2.08 0.14 2.98 1.70 -1.26 -4.78 118.95 122.15 2ske s ARG 649 Ca 0.85 -1.64 -0.25 0.00 -0.47 0.00 0.00 55.73 54.21 2ske s ARG 649 Cb -0.66 0.53 -0.00 0.00 -0.57 0.00 0.00 34.95 34.24 2ske s ARG 649 CO 0.43 -0.92 1.61 0.28 -1.08 0.00 0.00 175.30 175.62 2ske h VAL 650 N 2.05 0.27 0.00 4.99 2.07 -1.96 0.08 116.25 123.75 2ske h VAL 650 Ca -0.30 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.21 2ske h VAL 650 Cb 1.24 0.27 -0.00 0.00 -1.52 0.00 0.00 31.29 31.28 2ske h VAL 650 CO 0.40 0.00 -0.05 0.77 0.02 0.00 0.00 177.57 178.71 2ske h SER 651 N -0.36 0.00 0.55 0.57 4.64 -1.96 -0.49 113.55 116.50 2ske h SER 651 Ca 0.11 0.00 -0.22 0.00 -0.47 0.00 0.00 61.79 61.21 2ske h SER 651 Cb 0.54 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.63 2ske h SER 651 CO -0.40 0.05 -0.99 0.25 -0.87 0.00 0.00 176.83 174.87 2ske h LEU 652 N 0.00 0.36 -1.12 5.97 5.85 -1.66 -3.21 115.31 121.51 2ske h LEU 652 Ca -0.00 -0.31 -0.03 0.00 0.84 0.00 0.00 57.88 58.38 2ske h LEU 652 Cb 0.09 -0.11 -0.03 0.00 0.37 0.00 0.00 40.66 40.98 2ske h LEU 652 CO 0.01 1.15 0.26 0.00 -0.34 0.00 0.00 178.44 179.52 2ske h ALA 653 N 0.82 1.31 0.00 1.25 0.00 0.59 -0.69 119.26 122.53 2ske h ALA 653 Ca -0.07 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.69 2ske h ALA 653 Cb 1.65 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 19.19 2ske h ALA 653 CO 0.16 0.52 0.00 0.93 0.00 0.00 0.00 179.25 180.86 2ske h GLU 654 N 0.87 0.00 0.03 0.00 5.08 -1.34 -2.63 114.58 116.60 2ske h GLU 654 Ca 0.21 0.00 -0.37 0.00 -1.00 0.00 0.00 59.36 58.20 2ske h GLU 654 Cb 0.14 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 29.35 2ske h GLU 654 CO -0.02 0.00 -2.10 1.63 -1.00 0.00 0.00 179.01 177.52 2ske n LYS 655 N -2.49 0.64 0.02 2.33 5.02 -0.34 -4.51 118.16 118.82 2ske n LYS 655 Ca 0.00 0.30 -0.18 0.00 -2.02 0.00 0.00 58.31 56.41 2ske n LYS 655 Cb 0.16 -1.61 -0.11 0.00 -0.02 0.00 0.00 35.03 33.44 2ske n LYS 655 CO 0.00 0.00 0.00 -0.39 -0.52 0.00 0.00 177.40 176.49 2ske h VAL 656 N -0.46 1.39 -0.52 -0.18 -1.51 -1.30 -3.34 116.25 110.32 2ske h VAL 656 Ca -0.52 -2.15 0.06 0.00 -1.23 0.00 0.00 66.70 62.87 2ske h VAL 656 Cb 1.73 2.57 -0.06 0.00 -2.13 0.00 0.00 31.29 33.40 2ske h VAL 656 CO -0.16 0.63 0.21 0.40 -1.23 0.00 0.00 177.57 177.43 2ske h ILE 657 N 0.02 0.86 0.00 7.19 2.04 -1.73 -0.32 117.51 125.57 2ske h ILE 657 Ca -0.09 -0.14 0.00 0.00 1.00 0.00 0.00 64.86 65.62 2ske h ILE 657 Cb 1.44 0.41 0.00 0.00 -0.74 0.00 0.00 36.82 37.93 2ske h ILE 657 CO 0.14 0.08 0.00 -0.65 0.00 0.00 0.00 178.15 177.72 2ske h PRO 658 N 0.41 0.00 -0.28 2.37 0.11 -1.79 -2.49 132.00 130.34 2ske h PRO 658 Ca 0.25 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.36 2ske h PRO 658 Cb 0.23 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.34 2ske h PRO 658 CO -0.22 0.00 0.00 0.00 -0.21 0.00 0.00 178.00 177.57 2ske n ALA 659 N -1.84 2.39 -2.26 -0.75 0.00 -0.21 -4.72 120.51 113.11 2ske n ALA 659 Ca 0.00 -0.91 -0.38 0.00 0.00 0.00 0.00 53.44 52.15 2ske n ALA 659 Cb 0.17 -0.68 -0.06 0.00 0.00 0.00 0.00 19.45 18.88 2ske n ALA 659 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2ske s ALA 660 N -1.31 3.57 -0.25 0.00 0.00 -0.69 -4.66 121.76 118.42 2ske s ALA 660 Ca 0.30 0.03 -0.05 0.00 0.00 0.00 0.00 51.96 52.24 2ske s ALA 660 Cb 0.18 -2.64 -0.16 0.00 0.00 0.00 0.00 23.12 20.49 2ske s ALA 660 CO 0.25 0.40 -0.20 -0.25 0.00 0.00 0.00 175.76 175.96 2ske n ASP 661 N 1.51 1.98 -4.20 0.00 8.00 -0.70 -4.07 116.55 119.07 2ske n ASP 661 Ca -0.09 0.06 -0.33 0.00 0.71 0.00 0.00 54.79 55.14 2ske n ASP 661 Cb 0.51 -0.60 -0.16 0.00 -0.02 0.00 0.00 41.12 40.85 2ske n ASP 661 CO 0.00 0.00 0.00 -0.22 -0.39 0.00 0.00 177.20 176.59 2ske s LEU 662 N -6.93 2.23 -0.21 0.64 0.20 -0.65 -0.11 118.68 113.85 2ske s LEU 662 Ca -0.35 -0.56 -0.09 0.00 0.69 0.00 0.00 54.13 53.83 2ske s LEU 662 Cb 0.11 -1.48 -0.04 0.00 -0.43 0.00 0.00 46.19 44.34 2ske s LEU 662 CO 0.58 0.08 0.10 -0.55 -0.29 0.00 0.00 176.35 176.27 2ske s SER 663 N 0.80 5.77 -0.42 3.68 0.15 0.74 -1.70 113.70 122.72 2ske s SER 663 Ca -0.07 0.07 -0.16 0.00 0.70 0.00 0.00 55.95 56.50 2ske s SER 663 Cb -0.16 -2.01 0.03 0.00 -1.71 0.00 0.00 66.02 62.17 2ske s SER 663 CO -0.01 0.12 0.36 -1.61 1.20 0.00 0.00 173.24 173.30 2ske s GLU 664 N 0.69 3.01 -0.56 5.44 0.41 -1.03 -1.52 118.70 125.14 2ske s GLU 664 Ca 0.05 -0.98 0.07 0.00 -0.41 0.00 0.00 54.97 53.70 2ske s GLU 664 Cb -0.13 -4.00 0.27 0.00 -1.78 0.00 0.00 34.13 28.49 2ske s GLU 664 CO 0.02 -0.82 0.73 1.04 -0.49 0.00 0.00 175.26 175.73 2ske n GLN 665 N 5.31 2.13 -1.61 1.61 1.13 -0.99 -4.77 117.38 120.20 2ske n GLN 665 Ca -0.10 -4.30 -0.34 0.00 -1.94 0.00 0.00 57.00 50.33 2ske n GLN 665 Cb 0.47 -1.98 0.06 0.00 0.11 0.00 0.00 30.24 28.89 2ske n GLN 665 CO 0.00 0.00 0.00 0.44 -1.44 0.00 0.00 177.06 176.06 2ske n ILE 666 N 0.78 3.39 -1.69 5.09 -5.35 -1.26 -2.66 119.36 117.66 2ske n ILE 666 Ca 0.28 -3.49 -0.31 0.00 -0.27 0.00 0.00 62.75 58.95 2ske n ILE 666 Cb 0.45 -1.18 0.04 0.00 -1.74 0.00 0.00 39.64 37.21 2ske n ILE 666 CO 0.00 0.00 0.00 -0.94 -1.76 0.00 0.00 176.55 173.85 2ske s SER 667 N -2.07 5.55 0.11 7.28 1.04 -1.26 -4.60 113.70 119.76 2ske s SER 667 Ca 0.59 1.62 -0.31 0.00 0.48 0.00 0.00 55.95 58.34 2ske s SER 667 Cb 0.48 -2.50 -0.09 0.00 0.10 0.00 0.00 66.02 64.01 2ske s SER 667 CO -0.09 -1.33 1.55 -0.89 0.98 0.00 0.00 173.24 173.46 2ske s THR 668 N -2.97 2.99 -0.18 2.02 2.01 -1.18 -4.68 115.64 113.65 2ske s THR 668 Ca 0.58 0.61 -0.40 0.00 0.31 0.00 0.00 61.69 62.79 2ske s THR 668 Cb -0.14 -3.39 -0.17 0.00 0.01 0.00 0.00 72.50 68.81 2ske s THR 668 CO 0.52 0.03 1.54 0.00 -0.69 0.00 0.00 174.62 176.02 2ske n ALA 669 N 4.63 -0.94 0.00 7.40 0.00 -1.26 -1.67 120.51 128.67 2ske n ALA 669 Ca 0.14 0.46 0.00 0.00 0.00 0.00 0.00 53.44 54.04 2ske n ALA 669 Cb 0.40 -2.09 0.00 0.00 0.00 0.00 0.00 19.45 17.76 2ske n ALA 669 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2ske n GLY 670 N 3.42 0.31 0.09 0.00 0.00 -1.26 -4.67 105.19 103.09 2ske n GLY 670 Ca 0.24 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 46.17 2ske n GLY 670 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2ske n THR 671 N -1.96 1.23 -3.12 2.61 -2.24 -0.67 -4.89 114.28 105.24 2ske n THR 671 Ca 0.00 -0.74 -0.43 0.00 -2.27 0.00 0.00 64.05 60.61 2ske n THR 671 Cb 0.00 -0.58 -0.07 0.00 -2.10 0.00 0.00 70.33 67.58 2ske n THR 671 CO 0.00 0.00 0.00 -0.70 -0.57 0.00 0.00 175.07 173.80 2ske s GLU 672 N -2.43 3.31 0.23 -0.78 2.56 -1.26 -4.70 118.70 115.63 2ske s GLU 672 Ca -0.10 -0.36 -0.06 0.00 0.00 0.00 0.00 54.97 54.45 2ske s GLU 672 Cb 0.05 -3.94 0.41 0.00 2.00 0.00 0.00 34.13 32.65 2ske s GLU 672 CO 0.72 -0.97 1.70 0.00 -0.56 0.00 0.00 175.26 176.14 2ske h ALA 673 N 8.83 0.90 0.00 6.30 0.00 -1.90 -3.02 119.26 130.37 2ske h ALA 673 Ca -0.26 0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.80 2ske h ALA 673 Cb 1.10 0.19 0.00 0.00 0.00 0.00 0.00 17.79 19.07 2ske h ALA 673 CO 0.88 -0.30 0.00 0.45 0.00 0.00 0.00 179.25 180.28 2ske n SER 674 N -5.12 -2.44 0.00 0.00 2.88 -1.26 -4.14 113.62 103.54 2ske n SER 674 Ca 0.13 0.58 0.00 0.00 -1.33 0.00 0.00 58.87 58.25 2ske n SER 674 Cb 0.41 2.42 0.00 0.00 -0.75 0.00 0.00 64.21 66.29 2ske n SER 674 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2ske n GLY 675 N -0.91 -0.59 0.00 0.46 0.00 -1.26 -2.00 105.19 100.89 2ske n GLY 675 Ca 0.00 -1.48 0.00 0.00 0.00 0.00 0.00 46.02 44.54 2ske n GLY 675 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2ske n THR 676 N 0.08 0.00 -0.26 2.61 -2.24 -1.26 -4.73 114.28 108.48 2ske n THR 676 Ca 0.00 0.00 -0.00 0.00 -2.27 0.00 0.00 64.05 61.78 2ske n THR 676 Cb 0.00 0.06 0.21 0.00 -2.10 0.00 0.00 70.33 68.50 2ske n THR 676 CO 0.00 0.00 0.00 1.23 -0.57 0.00 0.00 175.07 175.73 2ske h GLY 677 N 0.00 1.15 0.62 3.38 0.00 -1.94 -1.49 103.07 104.78 2ske h GLY 677 Ca 0.00 -0.43 0.09 0.00 0.00 0.00 0.00 47.33 46.99 2ske h GLY 677 CO 0.00 0.42 0.64 3.45 0.00 0.00 0.00 176.54 181.05 2ske h ASN 678 N 1.10 1.00 0.14 0.19 -0.00 -1.94 -0.42 115.58 115.66 2ske h ASN 678 Ca 0.30 0.03 -0.15 0.00 -0.00 0.00 0.00 56.30 56.47 2ske h ASN 678 Cb -0.13 -0.18 -0.01 0.00 -0.00 0.00 0.00 38.32 38.00 2ske h ASN 678 CO -0.06 0.59 -0.56 0.24 -0.00 0.00 0.00 177.43 177.63 2ske h MET 679 N 1.10 0.44 -0.74 4.14 2.86 -1.61 -2.49 114.93 118.64 2ske h MET 679 Ca 0.46 -0.28 -0.05 0.00 -2.06 0.00 0.00 59.70 57.77 2ske h MET 679 Cb 0.31 0.03 -0.03 0.00 0.06 0.00 0.00 31.60 31.97 2ske h MET 679 CO -0.21 0.89 0.26 0.87 1.06 0.00 0.00 176.91 179.77 2ske h LYS 680 N 0.34 1.14 -0.44 1.72 1.57 -0.23 -2.56 116.57 118.11 2ske h LYS 680 Ca 0.00 -0.23 -0.08 0.00 -1.87 0.00 0.00 60.65 58.47 2ske h LYS 680 Cb 1.09 -0.17 -0.02 0.00 0.08 0.00 0.00 32.23 33.21 2ske h LYS 680 CO 0.10 0.95 -0.03 0.74 -0.57 0.00 0.00 179.45 180.64 2ske h PHE 681 N 1.09 0.88 -0.91 -1.35 0.04 -1.26 -2.93 116.94 112.49 2ske h PHE 681 Ca 0.24 -0.16 0.01 0.00 2.80 0.00 0.00 57.97 60.86 2ske h PHE 681 Cb 0.27 -0.22 -0.05 0.00 2.20 0.00 0.00 35.95 38.15 2ske h PHE 681 CO 0.02 0.87 0.59 1.98 -0.60 0.00 0.00 178.31 181.17 2ske h MET 682 N 0.63 1.21 0.00 1.51 4.05 -1.28 -2.23 114.93 118.82 2ske h MET 682 Ca 0.12 -0.08 0.00 0.00 -0.28 0.00 0.00 59.70 59.46 2ske h MET 682 Cb 0.54 -0.27 0.00 0.00 -0.80 0.00 0.00 31.60 31.07 2ske h MET 682 CO 0.03 0.81 0.00 1.25 0.23 0.00 0.00 176.91 179.23 2ske h LEU 683 N 1.25 0.00 -3.16 3.39 5.85 -1.40 -3.27 115.31 117.96 2ske h LEU 683 Ca 0.33 0.00 0.00 0.00 0.84 0.00 0.00 57.88 59.05 2ske h LEU 683 Cb -0.12 0.00 0.00 0.00 0.37 0.00 0.00 40.66 40.91 2ske h LEU 683 CO -0.07 0.00 0.00 0.59 -0.34 0.00 0.00 178.44 178.62 2ske n ASN 684 N -2.40 3.99 -0.01 1.25 3.02 -0.91 -4.92 115.26 115.28 2ske n ASN 684 Ca 0.04 -2.62 0.00 0.00 -0.03 0.00 0.00 54.58 51.98 2ske n ASN 684 Cb 0.39 -0.48 0.00 0.00 -0.61 0.00 0.00 39.78 39.08 2ske n ASN 684 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2ske n GLY 685 N 0.22 0.98 3.53 7.41 0.00 -1.14 -4.78 105.19 111.42 2ske n GLY 685 Ca 0.20 -0.55 -0.30 0.00 0.00 0.00 0.00 46.02 45.37 2ske n GLY 685 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2ske s ALA 686 N -2.02 2.82 0.13 4.61 0.00 -0.89 -4.74 121.76 121.67 2ske s ALA 686 Ca 0.00 -1.24 -0.06 0.00 0.00 0.00 0.00 51.96 50.66 2ske s ALA 686 Cb 0.00 -0.82 -0.06 0.00 0.00 0.00 0.00 23.12 22.24 2ske s ALA 686 CO 0.00 0.61 0.38 -0.51 0.00 0.00 0.00 175.76 176.25 2ske s LEU 687 N -1.96 4.27 -0.20 0.00 1.02 0.84 -4.38 118.68 118.28 2ske s LEU 687 Ca 0.19 0.63 -0.06 0.00 0.02 0.00 0.00 54.13 54.91 2ske s LEU 687 Cb -0.11 -3.27 -0.03 0.00 0.02 0.00 0.00 46.19 42.80 2ske s LEU 687 CO 0.10 0.07 0.02 -0.89 0.02 0.00 0.00 176.35 175.67 2ske s THR 688 N -1.62 4.21 -0.27 5.49 2.01 -1.26 -0.18 115.64 124.02 2ske s THR 688 Ca 0.40 -0.23 -0.05 0.00 0.31 0.00 0.00 61.69 62.12 2ske s THR 688 Cb -0.12 -2.90 0.01 0.00 0.01 0.00 0.00 72.50 69.49 2ske s THR 688 CO 0.23 0.43 0.02 -0.51 -0.69 0.00 0.00 174.62 174.10 2ske s ILE 689 N 0.83 3.55 0.25 1.82 2.07 -0.58 -1.93 121.20 127.21 2ske s ILE 689 Ca 0.02 -0.76 -0.11 0.00 -1.41 0.00 0.00 60.65 58.39 2ske s ILE 689 Cb -0.14 -2.79 0.04 0.00 0.13 0.00 0.00 42.46 39.70 2ske s ILE 689 CO 0.02 0.17 0.56 0.61 -1.91 0.00 0.00 174.94 174.39 2ske n GLY 690 N 4.79 1.24 3.98 1.50 0.00 -0.62 -2.34 105.19 113.75 2ske n GLY 690 Ca -0.16 -1.16 -0.20 0.00 0.00 0.00 0.00 46.02 44.50 2ske n GLY 690 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2ske s THR 691 N -2.37 4.14 -1.34 2.61 -4.23 -1.09 -1.98 115.64 111.38 2ske s THR 691 Ca 0.11 -0.91 -0.16 0.00 -1.18 0.00 0.00 61.69 59.56 2ske s THR 691 Cb -0.03 -3.45 0.01 0.00 1.34 0.00 0.00 72.50 70.37 2ske s THR 691 CO 0.08 -0.20 2.13 0.23 -0.54 0.00 0.00 174.62 176.32 2ske n MET 692 N -1.70 2.66 -4.26 3.99 2.81 -1.26 -4.70 117.12 114.66 2ske n MET 692 Ca -0.00 -2.55 -0.19 0.00 -1.81 0.00 0.00 57.70 53.15 2ske n MET 692 Cb 0.58 -3.26 -0.11 0.00 -0.71 0.00 0.00 33.22 29.71 2ske n MET 692 CO 0.00 0.00 0.00 0.34 1.51 0.00 0.00 175.97 177.82 2ske s ASP 693 N 3.63 2.10 0.14 7.83 2.15 -1.26 -4.66 116.67 126.59 2ske s ASP 693 Ca 0.50 -0.82 0.00 0.00 0.43 0.00 0.00 52.55 52.66 2ske s ASP 693 Cb 0.13 -0.08 0.00 0.00 -0.30 0.00 0.00 42.92 42.67 2ske s ASP 693 CO -0.04 -0.13 0.00 0.61 -0.17 0.00 0.00 175.17 175.44 2ske n GLY 694 N 0.50 1.80 0.00 2.66 0.00 -1.14 -0.83 105.19 108.18 2ske n GLY 694 Ca -0.15 -0.20 0.09 0.00 0.00 0.00 0.00 46.02 45.76 2ske n GLY 694 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2ske n ALA 695 N 6.07 1.94 -0.10 4.61 0.00 -0.85 -3.10 120.51 129.08 2ske n ALA 695 Ca 0.00 -0.08 0.05 0.00 0.00 0.00 0.00 53.44 53.41 2ske n ALA 695 Cb 0.00 -1.29 0.39 0.00 0.00 0.00 0.00 19.45 18.54 2ske n ALA 695 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 177.50 176.59 2ske h ASN 696 N 0.00 0.58 -0.49 0.00 4.21 -1.21 -0.46 115.58 118.21 2ske h ASN 696 Ca 0.00 -0.01 -0.03 0.00 1.21 0.00 0.00 56.30 57.47 2ske h ASN 696 Cb 0.20 -0.13 -0.02 0.00 -1.12 0.00 0.00 38.32 37.25 2ske h ASN 696 CO 0.00 0.39 0.17 0.58 -1.29 0.00 0.00 177.43 177.28 2ske h VAL 697 N 0.67 1.22 -0.07 2.81 2.07 -1.61 -1.12 116.25 120.22 2ske h VAL 697 Ca 0.24 -0.71 -0.16 0.00 0.82 0.00 0.00 66.70 66.89 2ske h VAL 697 Cb 0.13 0.78 -0.01 0.00 -1.52 0.00 0.00 31.29 30.66 2ske h VAL 697 CO -0.07 0.26 -0.66 -0.33 0.02 0.00 0.00 177.57 176.79 2ske h GLU 698 N 0.65 0.28 0.08 1.57 5.08 -1.57 -0.89 114.58 119.78 2ske h GLU 698 Ca 0.16 -0.21 -0.00 0.00 -1.00 0.00 0.00 59.36 58.30 2ske h GLU 698 Cb 0.24 0.04 0.00 0.00 0.50 0.00 0.00 28.75 29.53 2ske h GLU 698 CO -0.01 0.84 -0.04 0.52 -1.00 0.00 0.00 179.01 179.33 2ske h MET 699 N 0.20 -0.11 -0.77 2.33 2.86 -0.95 -0.28 114.93 118.21 2ske h MET 699 Ca -0.02 0.01 0.01 0.00 -2.06 0.00 0.00 59.70 57.65 2ske h MET 699 Cb 1.20 0.02 -0.04 0.00 0.06 0.00 0.00 31.60 32.85 2ske h MET 699 CO 0.11 0.21 0.51 0.00 1.06 0.00 0.00 176.91 178.79 2ske h ALA 700 N 0.45 1.48 -0.10 6.32 0.00 -1.18 0.32 119.26 126.55 2ske h ALA 700 Ca -0.01 -0.05 -0.09 0.00 0.00 0.00 0.00 54.91 54.76 2ske h ALA 700 Cb 0.36 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 17.84 2ske h ALA 700 CO 0.02 0.47 -0.32 1.49 0.00 0.00 0.00 179.25 180.91 2ske h GLU 701 N 1.01 0.20 0.24 0.00 4.81 -0.99 0.34 114.58 120.19 2ske h GLU 701 Ca 0.29 -0.08 -0.33 0.00 -0.13 0.00 0.00 59.36 59.11 2ske h GLU 701 Cb -0.08 -0.01 0.04 0.00 0.63 0.00 0.00 28.75 29.33 2ske h GLU 701 CO -0.07 0.51 -1.49 0.93 -0.73 0.00 0.00 179.01 178.16 2ske h GLU 702 N 0.18 0.52 0.00 1.92 4.39 0.50 -3.35 114.58 118.73 2ske h GLU 702 Ca 0.02 -0.88 -0.00 0.00 0.34 0.00 0.00 59.36 58.84 2ske h GLU 702 Cb 0.66 0.33 -0.00 0.00 -0.10 0.00 0.00 28.75 29.64 2ske h GLU 702 CO 0.05 1.42 -0.84 0.00 -1.16 0.00 0.00 179.01 178.48 2ske h ALA 703 N 0.14 0.58 0.00 3.43 0.00 -0.98 -3.48 119.26 118.95 2ske h ALA 703 Ca -0.26 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.64 2ske h ALA 703 Cb 2.14 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.93 2ske h ALA 703 CO 0.26 0.01 0.00 0.41 0.00 0.00 0.00 179.25 179.93 2ske n GLY 704 N 1.17 1.83 0.34 0.00 0.00 0.12 -4.59 105.19 104.05 2ske n GLY 704 Ca 0.01 -1.40 0.19 0.00 0.00 0.00 0.00 46.02 44.83 2ske n GLY 704 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 2ske h GLU 705 N 0.00 0.00 0.00 1.61 5.08 -1.84 -0.73 114.58 118.69 2ske h GLU 705 Ca 0.00 0.00 -0.04 0.00 -1.00 0.00 0.00 59.36 58.32 2ske h GLU 705 Cb 0.00 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.24 2ske h GLU 705 CO 0.00 0.00 -0.17 0.93 -1.00 0.00 0.00 179.01 178.77 2ske h GLU 706 N 0.00 0.00 -0.54 2.33 3.07 -1.89 -2.71 114.58 114.83 2ske h GLU 706 Ca 0.01 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.87 2ske h GLU 706 Cb 0.29 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.20 2ske h GLU 706 CO -0.00 0.17 0.00 0.09 -1.40 0.00 0.00 179.01 177.87 2ske n ASN 707 N -3.31 4.78 -4.09 1.42 3.02 -0.28 -4.92 115.26 111.88 2ske n ASN 707 Ca 0.00 -2.65 -0.18 0.00 -0.03 0.00 0.00 54.58 51.72 2ske n ASN 707 Cb 0.41 -0.58 -0.13 0.00 -0.61 0.00 0.00 39.78 38.87 2ske n ASN 707 CO 0.00 0.00 0.00 0.12 -2.62 0.00 0.00 177.26 174.76 2ske s PHE 708 N -2.22 0.98 -1.08 3.10 5.36 -1.02 -4.81 117.98 118.30 2ske s PHE 708 Ca 0.49 -0.32 -0.07 0.00 -0.96 0.00 0.00 56.93 56.06 2ske s PHE 708 Cb 0.34 -0.60 0.27 0.00 -0.34 0.00 0.00 43.02 42.70 2ske s PHE 708 CO 0.19 0.00 1.06 1.19 -1.46 0.00 0.00 175.22 176.20 2ske n PHE 709 N 2.10 5.05 -3.22 10.12 3.72 -0.81 -4.92 117.46 129.50 2ske n PHE 709 Ca -0.18 -3.95 -0.38 0.00 -0.05 0.00 0.00 57.45 52.90 2ske n PHE 709 Cb 0.55 -1.59 -0.06 0.00 -0.94 0.00 0.00 39.48 37.44 2ske n PHE 709 CO 0.00 0.00 0.00 0.42 -0.05 0.00 0.00 176.76 177.13 2ske s ILE 710 N -1.34 4.67 0.31 4.37 1.09 -1.26 -1.59 121.20 127.45 2ske s ILE 710 Ca 0.30 1.28 -0.08 0.00 -1.10 0.00 0.00 60.65 61.05 2ske s ILE 710 Cb -0.09 -3.92 0.01 0.00 -1.06 0.00 0.00 42.46 37.39 2ske s ILE 710 CO -0.09 0.50 0.51 0.72 -0.10 0.00 0.00 174.94 176.48 2ske s PHE 711 N -1.18 0.65 0.11 3.97 -0.71 -0.84 -4.96 117.98 115.01 2ske s PHE 711 Ca 0.32 -1.00 0.00 0.00 -1.04 0.00 0.00 56.93 55.21 2ske s PHE 711 Cb -0.20 0.15 0.00 0.00 -1.21 0.00 0.00 43.02 41.76 2ske s PHE 711 CO 0.20 -1.13 0.00 0.41 -1.34 0.00 0.00 175.22 173.36 2ske n GLY 712 N -0.48 -1.98 3.74 1.99 0.00 -1.26 -4.35 105.19 102.85 2ske n GLY 712 Ca -0.01 -1.34 -0.37 0.00 0.00 0.00 0.00 46.02 44.29 2ske n GLY 712 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 2ske s MET 713 N -1.12 2.88 0.44 1.61 -1.94 -1.26 -4.90 119.30 115.01 2ske s MET 713 Ca 0.00 2.09 0.08 0.00 -1.71 0.00 0.00 55.69 56.15 2ske s MET 713 Cb 0.00 -2.04 0.02 0.00 2.01 0.00 0.00 34.83 34.82 2ske s MET 713 CO 0.00 -1.35 0.60 1.03 -0.01 0.00 0.00 175.02 175.29 2ske s ARG 714 N -3.16 2.77 0.24 2.03 1.81 -1.26 -4.56 118.95 116.82 2ske s ARG 714 Ca 0.77 -1.23 -0.05 0.00 -1.72 0.00 0.00 55.73 53.49 2ske s ARG 714 Cb -0.38 -2.73 0.44 0.00 -0.45 0.00 0.00 34.95 31.84 2ske s ARG 714 CO 0.42 -0.34 1.69 0.28 -0.68 0.00 0.00 175.30 176.66 2ske h VAL 715 N 0.56 0.54 -0.96 3.52 2.07 -1.83 -0.72 116.25 119.43 2ske h VAL 715 Ca -0.39 -0.10 0.02 0.00 0.82 0.00 0.00 66.70 67.05 2ske h VAL 715 Cb 1.28 0.23 -0.05 0.00 -1.52 0.00 0.00 31.29 31.23 2ske h VAL 715 CO 0.45 0.05 0.64 1.05 0.02 0.00 0.00 177.57 179.78 2ske h GLU 716 N 0.28 1.24 -0.63 1.57 9.09 -1.95 -1.89 114.58 122.29 2ske h GLU 716 Ca 0.40 -0.07 -0.06 0.00 0.05 0.00 0.00 59.36 59.68 2ske h GLU 716 Cb 0.68 -0.28 -0.03 0.00 -1.65 0.00 0.00 28.75 27.47 2ske h GLU 716 CO -0.49 0.82 0.17 -0.44 0.05 0.00 0.00 179.01 179.11 2ske h ASP 717 N 1.28 0.91 -0.32 3.06 3.32 -1.52 -0.62 116.42 122.53 2ske h ASP 717 Ca 0.36 -0.17 -0.02 0.00 0.02 0.00 0.00 57.03 57.23 2ske h ASP 717 Cb -0.10 -0.24 -0.01 0.00 0.22 0.00 0.00 39.33 39.20 2ske h ASP 717 CO -0.09 0.87 0.14 0.58 -1.72 0.00 0.00 179.24 179.02 2ske h VAL 718 N 0.94 1.17 -0.75 -1.35 2.07 -0.80 -1.37 116.25 116.16 2ske h VAL 718 Ca 0.20 -0.52 -0.06 0.00 0.82 0.00 0.00 66.70 67.14 2ske h VAL 718 Cb 0.31 0.92 -0.03 0.00 -1.52 0.00 0.00 31.29 30.97 2ske h VAL 718 CO -0.00 0.18 0.24 0.44 0.02 0.00 0.00 177.57 178.45 2ske h ASP 719 N 0.38 1.10 -0.30 0.57 3.32 -1.10 -1.47 116.42 118.91 2ske h ASP 719 Ca 0.11 -0.21 0.01 0.00 0.02 0.00 0.00 57.03 56.97 2ske h ASP 719 Cb 0.16 -0.29 -0.02 0.00 0.22 0.00 0.00 39.33 39.40 2ske h ASP 719 CO -0.01 1.01 0.16 -0.09 -1.72 0.00 0.00 179.24 178.60 2ske h ARG 720 N 1.12 0.33 -0.36 3.56 2.43 -0.86 -1.11 114.38 119.50 2ske h ARG 720 Ca 0.24 -0.02 -0.00 0.00 -0.81 0.00 0.00 59.98 59.39 2ske h ARG 720 Cb 0.31 -0.07 -0.02 0.00 -0.42 0.00 0.00 29.97 29.77 2ske h ARG 720 CO -0.01 0.22 0.22 1.25 -1.51 0.00 0.00 179.97 180.14 2ske h LEU 721 N 0.34 0.42 -0.18 3.80 6.46 -0.86 -1.55 115.31 123.74 2ske h LEU 721 Ca 0.12 -0.02 -0.22 0.00 -0.12 0.00 0.00 57.88 57.64 2ske h LEU 721 Cb 0.01 -0.10 0.01 0.00 -0.73 0.00 0.00 40.66 39.85 2ske h LEU 721 CO -0.06 0.32 -0.83 0.44 -0.62 0.00 0.00 178.44 177.68 2ske h ASP 722 N 0.49 0.81 0.32 1.25 3.32 -0.62 0.71 116.42 122.70 2ske h ASP 722 Ca 0.13 -0.56 -0.00 0.00 0.02 0.00 0.00 57.03 56.61 2ske h ASP 722 Cb -0.02 -0.24 -0.01 0.00 0.22 0.00 0.00 39.33 39.27 2ske h ASP 722 CO -0.03 1.35 -0.26 1.56 -1.72 0.00 0.00 179.24 180.14 2ske h GLN 723 N 0.43 -0.57 -0.04 3.56 1.08 -0.65 -2.77 115.11 116.15 2ske h GLN 723 Ca -0.06 0.04 0.03 0.00 -1.45 0.00 0.00 58.65 57.20 2ske h GLN 723 Cb 1.46 0.13 -0.03 0.00 -0.05 0.00 0.00 27.48 28.98 2ske h GLN 723 CO 0.16 -0.38 -0.12 -0.09 -0.95 0.00 0.00 178.83 177.45 2ske h ARG 724 N -0.59 -0.18 0.00 1.46 2.43 -1.27 -3.49 114.38 112.75 2ske h ARG 724 Ca -0.02 0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.16 2ske h ARG 724 Cb 0.52 0.04 0.00 0.00 -0.42 0.00 0.00 29.97 30.11 2ske h ARG 724 CO -0.02 -0.12 0.00 0.41 -1.51 0.00 0.00 179.97 178.73 2ske n GLY 725 N -1.26 3.03 3.67 2.80 0.00 0.25 -5.05 105.19 108.63 2ske n GLY 725 Ca -0.05 -1.14 -0.43 0.00 0.00 0.00 0.00 46.02 44.40 2ske n GLY 725 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 2ske s TYR 726 N 0.00 3.32 -0.29 1.61 5.04 -1.20 -4.88 117.35 120.95 2ske s TYR 726 Ca 0.00 1.44 0.01 0.00 -2.44 0.00 0.00 57.07 56.08 2ske s TYR 726 Cb 0.00 -3.28 0.09 0.00 0.35 0.00 0.00 41.96 39.11 2ske s TYR 726 CO 0.00 -0.60 0.03 1.21 -1.34 0.00 0.00 175.55 174.85 2ske s ASN 727 N 1.28 4.22 0.50 4.32 3.84 -1.26 -5.00 114.94 122.85 2ske s ASN 727 Ca 0.47 -1.66 0.26 0.00 0.21 0.00 0.00 52.86 52.14 2ske s ASN 727 Cb -0.17 -1.23 1.31 0.00 -0.55 0.00 0.00 41.25 40.61 2ske s ASN 727 CO 0.12 -0.34 2.01 0.00 -2.79 0.00 0.00 177.10 176.09 2ske h ALA 728 N 7.88 1.21 -0.97 1.71 0.00 -1.88 -2.97 119.26 124.25 2ske h ALA 728 Ca -0.12 -0.14 0.07 0.00 0.00 0.00 0.00 54.91 54.73 2ske h ALA 728 Cb 1.04 -0.02 -0.07 0.00 0.00 0.00 0.00 17.79 18.73 2ske h ALA 728 CO 0.47 0.19 0.62 0.37 0.00 0.00 0.00 179.25 180.90 2ske h GLN 729 N 0.00 1.07 -0.44 0.00 5.75 -1.93 -1.83 115.11 117.74 2ske h GLN 729 Ca -0.00 -0.06 0.09 0.00 -0.15 0.00 0.00 58.65 58.52 2ske h GLN 729 Cb 0.44 -0.24 -0.08 0.00 1.07 0.00 0.00 27.48 28.67 2ske h GLN 729 CO 0.02 0.71 -0.12 1.49 -2.65 0.00 0.00 178.83 178.28 2ske h GLU 730 N 1.10 -0.01 -0.30 1.69 4.81 -1.95 0.44 114.58 120.36 2ske h GLU 730 Ca 0.43 0.00 -0.10 0.00 -0.13 0.00 0.00 59.36 59.56 2ske h GLU 730 Cb 0.22 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.59 2ske h GLU 730 CO -0.19 -0.01 -0.23 1.88 -0.73 0.00 0.00 179.01 179.73 2ske h TYR 731 N -0.01 0.65 -0.56 0.92 0.05 -1.57 -2.01 116.97 114.42 2ske h TYR 731 Ca 0.21 -0.14 -0.08 0.00 0.05 0.00 0.00 58.73 58.78 2ske h TYR 731 Cb 0.33 -0.16 -0.02 0.00 1.01 0.00 0.00 36.73 37.89 2ske h TYR 731 CO -0.39 0.76 0.05 -0.92 -1.05 0.00 0.00 178.16 176.61 2ske h TYR 732 N 0.51 0.99 -0.28 4.88 5.03 -0.37 -2.46 116.97 125.28 2ske h TYR 732 Ca 0.07 -0.14 -0.14 0.00 2.58 0.00 0.00 58.73 61.10 2ske h TYR 732 Cb 0.68 -0.27 -0.00 0.00 1.55 0.00 0.00 36.73 38.69 2ske h TYR 732 CO 0.03 0.87 -0.39 -0.44 -1.32 0.00 0.00 178.16 176.91 2ske h ASP 733 N 0.87 0.82 0.35 -2.11 3.32 0.18 -3.34 116.42 116.51 2ske h ASP 733 Ca 0.17 -0.51 0.00 0.00 0.02 0.00 0.00 57.03 56.72 2ske h ASP 733 Cb 0.45 -0.23 0.00 0.00 0.22 0.00 0.00 39.33 39.76 2ske h ASP 733 CO 0.02 1.17 -0.40 0.54 -1.72 0.00 0.00 179.24 178.84 2ske n ARG 734 N -4.17 0.42 -4.03 3.56 5.12 -0.79 -4.74 116.66 112.03 2ske n ARG 734 Ca -0.04 -0.25 -0.31 0.00 -1.93 0.00 0.00 57.85 55.31 2ske n ARG 734 Cb 0.53 -1.49 -0.15 0.00 -1.16 0.00 0.00 32.46 30.19 2ske n ARG 734 CO 0.00 0.00 0.00 0.42 -1.93 0.00 0.00 177.63 176.12 2ske s ILE 735 N -2.75 2.18 0.23 0.55 1.01 -0.93 -4.99 121.20 116.49 2ske s ILE 735 Ca 0.17 -2.03 -0.07 0.00 0.00 0.00 0.00 60.65 58.73 2ske s ILE 735 Cb 0.18 -2.48 0.20 0.00 0.01 0.00 0.00 42.46 40.37 2ske s ILE 735 CO 0.62 -0.37 1.85 -0.65 0.00 0.00 0.00 174.94 176.38 2ske h PRO 736 N 7.69 1.25 -0.67 2.79 0.11 -1.85 -1.35 132.00 139.96 2ske h PRO 736 Ca -0.10 -0.15 -0.01 0.00 0.11 0.00 0.00 66.00 65.85 2ske h PRO 736 Cb 1.03 -0.24 -0.03 0.00 0.11 0.00 0.00 31.00 31.87 2ske h PRO 736 CO 0.49 0.92 0.40 0.93 -0.21 0.00 0.00 178.00 180.53 2ske h GLU 737 N 1.25 0.92 -0.32 1.05 5.08 -1.95 0.17 114.58 120.78 2ske h GLU 737 Ca 0.31 -0.09 -0.03 0.00 -1.00 0.00 0.00 59.36 58.55 2ske h GLU 737 Cb 0.05 -0.19 -0.01 0.00 0.50 0.00 0.00 28.75 29.09 2ske h GLU 737 CO -0.05 0.67 0.08 1.25 -1.00 0.00 0.00 179.01 179.96 2ske h LEU 738 N 0.92 0.48 -0.59 1.33 5.85 -1.87 -2.42 115.31 119.01 2ske h LEU 738 Ca 0.24 -0.23 0.03 0.00 0.84 0.00 0.00 57.88 58.76 2ske h LEU 738 Cb -0.01 -0.13 -0.04 0.00 0.37 0.00 0.00 40.66 40.86 2ske h LEU 738 CO -0.04 0.59 0.35 -0.09 -0.34 0.00 0.00 178.44 178.91 2ske h ARG 739 N 0.36 0.67 -0.70 1.25 2.43 -0.82 -1.93 114.38 115.63 2ske h ARG 739 Ca 0.10 -0.04 0.04 0.00 -0.81 0.00 0.00 59.98 59.27 2ske h ARG 739 Cb 0.29 -0.15 -0.05 0.00 -0.42 0.00 0.00 29.97 29.65 2ske h ARG 739 CO 0.00 0.44 0.43 0.37 -1.51 0.00 0.00 179.97 179.70 2ske h GLN 740 N 0.69 0.81 -0.38 0.20 4.15 -0.51 -1.68 115.11 118.39 2ske h GLN 740 Ca 0.24 -0.05 -0.03 0.00 0.77 0.00 0.00 58.65 59.59 2ske h GLN 740 Cb 0.05 -0.18 -0.02 0.00 0.21 0.00 0.00 27.48 27.54 2ske h GLN 740 CO -0.11 0.53 0.13 0.82 -1.93 0.00 0.00 178.83 178.27 2ske h ILE 741 N 0.83 1.20 -0.44 2.39 2.04 -0.92 -1.86 117.51 120.76 2ske h ILE 741 Ca 0.29 -0.64 -0.06 0.00 1.00 0.00 0.00 64.86 65.45 2ske h ILE 741 Cb 0.06 0.92 -0.02 0.00 -0.74 0.00 0.00 36.82 37.03 2ske h ILE 741 CO -0.12 0.23 0.03 0.40 0.00 0.00 0.00 178.15 178.68 2ske h ILE 742 N 0.46 1.22 0.00 -0.67 5.03 -1.08 -1.54 117.51 120.93 2ske h ILE 742 Ca 0.12 -0.87 0.00 0.00 -0.12 0.00 0.00 64.86 63.99 2ske h ILE 742 Cb 0.22 0.86 0.00 0.00 -3.03 0.00 0.00 36.82 34.87 2ske h ILE 742 CO -0.01 0.31 0.00 -0.33 -0.68 0.00 0.00 178.15 177.44 2ske h GLU 743 N 0.66 0.00 0.00 2.37 5.08 -1.16 -1.35 114.58 120.17 2ske h GLU 743 Ca 0.14 0.00 -0.22 0.00 -1.00 0.00 0.00 59.36 58.28 2ske h GLU 743 Cb 0.37 0.00 0.02 0.00 0.50 0.00 0.00 28.75 29.63 2ske h GLU 743 CO 0.01 0.00 -0.86 1.96 -1.00 0.00 0.00 179.01 179.12 2ske h GLN 744 N 0.00 0.58 -0.37 2.33 4.20 -0.45 -2.42 115.11 118.98 2ske h GLN 744 Ca 0.00 -0.63 -0.11 0.00 0.06 0.00 0.00 58.65 57.97 2ske h GLN 744 Cb 0.76 0.18 -0.01 0.00 0.30 0.00 0.00 27.48 28.71 2ske h GLN 744 CO 0.00 1.24 -0.21 -0.07 -0.67 0.00 0.00 178.83 179.12 2ske h LEU 745 N 0.18 0.83 -1.38 1.46 3.38 -1.21 -1.70 115.31 116.87 2ske h LEU 745 Ca -0.11 -0.42 -0.06 0.00 0.09 0.00 0.00 57.88 57.38 2ske h LEU 745 Cb 1.54 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 42.06 2ske h LEU 745 CO 0.17 1.06 -0.25 0.28 0.09 0.00 0.00 178.44 179.79 2ske h SER 746 N 0.59 0.08 0.03 -0.43 0.02 -1.30 -3.15 113.55 109.39 2ske h SER 746 Ca 0.08 -0.02 0.00 0.00 -0.84 0.00 0.00 61.79 61.01 2ske h SER 746 Cb 0.76 -0.02 0.00 0.00 0.14 0.00 0.00 62.40 63.28 2ske h SER 746 CO 0.06 0.34 -0.13 -1.54 -1.14 0.00 0.00 176.83 174.42 2ske n SER 747 N -4.21 1.96 0.00 3.07 3.41 -0.91 -4.76 113.62 112.18 2ske n SER 747 Ca -0.02 -1.54 0.00 0.00 -0.26 0.00 0.00 58.87 57.05 2ske n SER 747 Cb 0.33 0.10 0.00 0.00 -0.26 0.00 0.00 64.21 64.38 2ske n SER 747 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2ske n GLY 748 N 1.30 0.65 0.23 5.00 0.00 -1.16 -4.88 105.19 106.32 2ske n GLY 748 Ca 0.15 -0.67 0.06 0.00 0.00 0.00 0.00 46.02 45.56 2ske n GLY 748 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 2ske h PHE 749 N 0.00 0.00 -0.02 1.61 3.57 -1.57 -2.29 116.94 118.24 2ske h PHE 749 Ca 0.00 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.50 2ske h PHE 749 Cb 0.06 0.00 0.00 0.00 2.79 0.00 0.00 35.95 38.80 2ske h PHE 749 CO 0.00 0.19 -0.26 1.19 -2.23 0.00 0.00 178.31 177.21 2ske n PHE 750 N -4.17 0.00 -3.10 0.41 3.72 -1.26 -4.66 117.46 108.41 2ske n PHE 750 Ca -0.02 0.00 -0.19 0.00 -0.05 0.00 0.00 57.45 57.19 2ske n PHE 750 Cb 0.26 0.00 -0.04 0.00 -0.94 0.00 0.00 39.48 38.76 2ske n PHE 750 CO 0.00 0.00 0.00 -1.13 -0.05 0.00 0.00 176.76 175.58 2ske n SER 751 N 0.35 -1.04 -0.04 4.37 3.41 -0.90 -4.80 113.62 114.97 2ske n SER 751 Ca 0.09 -2.77 -0.08 0.00 -0.26 0.00 0.00 58.87 55.85 2ske n SER 751 Cb 0.43 0.16 -0.03 0.00 -0.26 0.00 0.00 64.21 64.52 2ske n SER 751 CO 0.00 0.00 0.00 -0.65 -0.16 0.00 0.00 175.04 174.23 2ske h PRO 752 N 4.50 -0.04 -0.12 4.33 0.11 -1.72 -2.28 132.00 136.77 2ske h PRO 752 Ca 0.07 0.00 -0.10 0.00 0.11 0.00 0.00 66.00 66.08 2ske h PRO 752 Cb 0.94 0.01 -0.01 0.00 0.11 0.00 0.00 31.00 32.05 2ske h PRO 752 CO 0.36 -0.03 -0.37 0.87 -0.21 0.00 0.00 178.00 178.63 2ske h LYS 753 N -0.04 0.26 -2.91 1.05 1.57 -1.96 -3.34 116.57 111.21 2ske h LYS 753 Ca 0.10 -0.11 -0.61 0.00 -1.87 0.00 0.00 60.65 58.16 2ske h LYS 753 Cb 0.19 -0.01 -0.41 0.00 0.08 0.00 0.00 32.23 32.09 2ske h LYS 753 CO -0.23 0.60 -0.68 -0.65 -0.57 0.00 0.00 179.45 177.92 2ske s GLN 754 N -4.23 2.01 0.54 3.15 -0.21 -1.09 -4.99 119.66 114.84 2ske s GLN 754 Ca -0.05 -2.96 0.26 0.00 0.02 0.00 0.00 55.36 52.64 2ske s GLN 754 Cb 0.14 -2.87 1.43 0.00 1.00 0.00 0.00 33.01 32.71 2ske s GLN 754 CO 0.77 -1.30 1.99 -1.35 -2.12 0.00 0.00 175.29 173.27 2ske h PRO 755 N 5.55 0.00 -0.60 2.91 0.11 -1.55 -1.74 132.00 136.69 2ske h PRO 755 Ca 0.16 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.27 2ske h PRO 755 Cb 0.80 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.91 2ske h PRO 755 CO 0.62 0.00 0.00 -0.40 -0.21 0.00 0.00 178.00 178.01 2ske n ASP 756 N -4.29 4.60 -0.34 -2.05 5.75 -1.26 -3.30 116.55 115.66 2ske n ASP 756 Ca 0.10 -2.47 0.09 0.00 -0.01 0.00 0.00 54.79 52.49 2ske n ASP 756 Cb 0.63 -0.55 0.26 0.00 -1.03 0.00 0.00 41.12 40.42 2ske n ASP 756 CO 0.00 0.00 0.00 0.25 -0.11 0.00 0.00 177.20 177.34 2ske h LEU 757 N 3.76 0.80 -3.94 -2.12 5.85 -1.64 -2.57 115.31 115.44 2ske h LEU 757 Ca 0.00 0.07 -0.53 0.00 0.84 0.00 0.00 57.88 58.27 2ske h LEU 757 Cb 1.42 -0.08 -0.29 0.00 0.37 0.00 0.00 40.66 42.08 2ske h LEU 757 CO 0.22 0.37 0.62 0.49 -0.34 0.00 0.00 178.44 179.80 2ske n PHE 758 N -4.72 2.94 0.11 1.25 3.72 -1.26 -4.58 117.46 114.91 2ske n PHE 758 Ca 0.20 -2.08 -0.02 0.00 -0.05 0.00 0.00 57.45 55.49 2ske n PHE 758 Cb 0.44 -1.01 0.21 0.00 -0.94 0.00 0.00 39.48 38.18 2ske n PHE 758 CO 0.00 0.00 0.00 1.57 -0.05 0.00 0.00 176.76 178.28 2ske h LYS 759 N 1.23 0.19 -0.20 -1.08 2.10 -1.79 -2.71 116.57 114.30 2ske h LYS 759 Ca 0.59 -0.10 -0.11 0.00 -2.00 0.00 0.00 60.65 59.03 2ske h LYS 759 Cb 2.33 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 33.65 2ske h LYS 759 CO 1.15 0.62 -0.36 -0.44 -2.00 0.00 0.00 179.45 178.42 2ske h ASP 760 N 0.15 0.44 0.02 7.07 3.32 -1.85 0.39 116.42 125.97 2ske h ASP 760 Ca 0.01 -0.18 -0.00 0.00 0.02 0.00 0.00 57.03 56.88 2ske h ASP 760 Cb 0.89 -0.12 0.00 0.00 0.22 0.00 0.00 39.33 40.32 2ske h ASP 760 CO 0.07 0.77 -0.01 0.40 -1.72 0.00 0.00 179.24 178.75 2ske h ILE 761 N 0.36 1.37 -0.33 0.35 2.04 -1.88 -1.02 117.51 118.40 2ske h ILE 761 Ca 0.04 -1.28 0.01 0.00 1.00 0.00 0.00 64.86 64.63 2ske h ILE 761 Cb 0.80 2.22 -0.02 0.00 -0.74 0.00 0.00 36.82 39.08 2ske h ILE 761 CO 0.06 0.32 0.21 0.58 0.00 0.00 0.00 178.15 179.33 2ske h VAL 762 N -0.59 1.07 -0.36 1.67 2.07 -1.47 0.85 116.25 119.48 2ske h VAL 762 Ca -0.00 -0.15 0.05 0.00 0.82 0.00 0.00 66.70 67.42 2ske h VAL 762 Cb 0.56 0.60 -0.04 0.00 -1.52 0.00 0.00 31.29 30.89 2ske h VAL 762 CO 0.01 0.08 0.10 -1.13 0.02 0.00 0.00 177.57 176.65 2ske h ASN 763 N 0.43 0.08 0.08 0.57 -0.00 -0.96 -1.47 115.58 114.31 2ske h ASN 763 Ca 0.12 0.05 -0.00 0.00 -0.00 0.00 0.00 56.30 56.47 2ske h ASN 763 Cb -0.03 0.05 0.00 0.00 -0.00 0.00 0.00 38.32 38.34 2ske h ASN 763 CO -0.04 0.08 -0.04 -0.03 -0.00 0.00 0.00 177.43 177.41 2ske h MET 764 N 0.24 -0.10 -0.96 6.67 4.05 -0.79 -0.70 114.93 123.35 2ske h MET 764 Ca 0.17 0.01 0.12 0.00 -0.28 0.00 0.00 59.70 59.72 2ske h MET 764 Cb 0.16 0.02 -0.08 0.00 -0.80 0.00 0.00 31.60 30.91 2ske h MET 764 CO -0.19 0.04 0.61 -0.07 0.23 0.00 0.00 176.91 177.53 2ske h LEU 765 N -0.22 0.84 0.10 3.39 4.07 -0.58 0.23 115.31 123.14 2ske h LEU 765 Ca -0.01 0.04 -0.30 0.00 0.08 0.00 0.00 57.88 57.70 2ske h LEU 765 Cb 0.18 -0.13 -0.01 0.00 1.08 0.00 0.00 40.66 41.78 2ske h LEU 765 CO 0.02 0.45 -1.50 0.24 -1.08 0.00 0.00 178.44 176.57 2ske h MET 766 N 0.90 0.20 0.00 1.13 2.86 -1.21 -3.41 114.93 115.41 2ske h MET 766 Ca 0.47 -0.34 -0.05 0.00 -2.06 0.00 0.00 59.70 57.72 2ske h MET 766 Cb 0.54 0.13 -0.01 0.00 0.06 0.00 0.00 31.60 32.32 2ske h MET 766 CO -0.24 1.05 -1.28 0.72 1.06 0.00 0.00 176.91 178.22 2ske n HIS 767 N -3.41 0.00 -2.65 -0.22 8.25 -0.28 -4.33 115.22 112.59 2ske n HIS 767 Ca -0.15 0.00 -0.09 0.00 -0.26 0.00 0.00 57.72 57.22 2ske n HIS 767 Cb 1.03 -0.18 0.03 0.00 1.12 0.00 0.00 29.99 32.00 2ske n HIS 767 CO 0.00 0.00 0.00 0.72 0.64 0.00 0.00 176.34 177.70 2ske n HIS 768 N -1.94 1.54 -2.70 4.41 8.25 0.74 -5.04 115.22 120.49 2ske n HIS 768 Ca -0.04 -2.60 -0.42 0.00 -0.26 0.00 0.00 57.72 54.39 2ske n HIS 768 Cb 0.41 -0.30 -0.03 0.00 1.12 0.00 0.00 29.99 31.19 2ske n HIS 768 CO 0.00 0.00 0.00 0.34 0.64 0.00 0.00 176.34 177.32 2ske s ASP 769 N -3.40 6.25 0.39 0.41 -1.08 -0.81 -4.82 116.67 113.60 2ske s ASP 769 Ca 0.31 -0.49 0.28 0.00 -0.52 0.00 0.00 52.55 52.13 2ske s ASP 769 Cb 0.41 -2.49 1.03 0.00 -1.46 0.00 0.00 42.92 40.41 2ske s ASP 769 CO -0.01 -1.54 1.82 0.03 0.52 0.00 0.00 175.17 175.98 2ske h ARG 770 N 9.67 0.00 -0.14 4.34 3.08 -1.96 -3.19 114.38 126.17 2ske h ARG 770 Ca -0.27 0.00 -0.04 0.00 0.07 0.00 0.00 59.98 59.74 2ske h ARG 770 Cb 1.06 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 31.09 2ske h ARG 770 CO 1.20 0.00 -0.11 1.19 -1.07 0.00 0.00 179.97 181.17 2ske n PHE 771 N -2.69 0.48 -3.03 3.04 3.72 -1.26 -5.03 117.46 112.69 2ske n PHE 771 Ca 0.02 -1.20 -0.09 0.00 -0.05 0.00 0.00 57.45 56.14 2ske n PHE 771 Cb 0.32 -0.29 0.00 0.00 -0.94 0.00 0.00 39.48 38.58 2ske n PHE 771 CO 0.00 0.00 0.00 0.36 -0.05 0.00 0.00 176.76 177.07 2ske n LYS 772 N -1.08 -0.52 0.03 -1.08 2.85 -1.21 -4.80 118.16 112.36 2ske n LYS 772 Ca 0.22 0.14 -0.12 0.00 -1.05 0.00 0.00 58.31 57.50 2ske n LYS 772 Cb 0.80 -0.58 -0.07 0.00 -0.65 0.00 0.00 35.03 34.53 2ske n LYS 772 CO 0.00 0.00 0.00 0.28 -0.05 0.00 0.00 177.40 177.63 2ske h VAL 773 N 0.72 1.01 -0.98 0.58 2.07 -1.92 -2.99 116.25 114.73 2ske h VAL 773 Ca -0.20 -0.01 0.09 0.00 0.82 0.00 0.00 66.70 67.40 2ske h VAL 773 Cb 0.43 0.97 -0.07 0.00 -1.52 0.00 0.00 31.29 31.09 2ske h VAL 773 CO 0.12 0.01 0.62 -0.26 0.02 0.00 0.00 177.57 178.08 2ske h PHE 774 N 0.03 1.15 -0.16 1.57 0.04 -1.91 -2.57 116.94 115.09 2ske h PHE 774 Ca 0.01 0.03 0.05 0.00 2.80 0.00 0.00 57.97 60.86 2ske h PHE 774 Cb -0.00 -0.37 -0.01 0.00 2.20 0.00 0.00 35.95 37.77 2ske h PHE 774 CO -0.08 0.54 0.19 0.00 -0.60 0.00 0.00 178.31 178.36 2ske h ALA 775 N 1.48 1.75 -0.02 2.45 0.00 -1.90 -1.77 119.26 121.26 2ske h ALA 775 Ca 0.45 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.35 2ske h ALA 775 Cb 0.29 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.09 2ske h ALA 775 CO -0.21 -0.28 -0.00 -0.25 0.00 0.00 0.00 179.25 178.51 2ske n ASP 776 N -3.75 2.29 0.20 0.00 8.00 -0.98 -4.70 116.55 117.61 2ske n ASP 776 Ca 0.01 -1.64 -0.15 0.00 0.71 0.00 0.00 54.79 53.72 2ske n ASP 776 Cb 0.31 0.00 -0.07 0.00 -0.02 0.00 0.00 41.12 41.34 2ske n ASP 776 CO 0.00 0.00 0.00 0.22 -0.39 0.00 0.00 177.20 177.03 2ske h TYR 777 N 3.04 -0.87 -0.12 1.24 3.20 -1.22 -1.51 116.97 120.73 2ske h TYR 777 Ca 0.00 0.01 0.04 0.00 3.14 0.00 0.00 58.73 61.92 2ske h TYR 777 Cb 0.65 0.34 -0.04 0.00 1.54 0.00 0.00 36.73 39.22 2ske h TYR 777 CO 0.00 -0.46 -0.13 0.93 -1.64 0.00 0.00 178.16 176.86 2ske h GLU 778 N -0.66 -0.15 0.00 1.82 5.08 -1.84 -2.31 114.58 116.51 2ske h GLU 778 Ca -0.01 0.01 -0.03 0.00 -1.00 0.00 0.00 59.36 58.33 2ske h GLU 778 Cb 0.61 0.03 -0.00 0.00 0.50 0.00 0.00 28.75 29.89 2ske h GLU 778 CO -0.07 -0.10 -0.13 0.93 -1.00 0.00 0.00 179.01 178.63 2ske h GLU 779 N -0.16 0.00 -0.01 2.33 5.08 -1.86 -2.20 114.58 117.75 2ske h GLU 779 Ca 0.09 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.43 2ske h GLU 779 Cb 0.28 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.54 2ske h GLU 779 CO -0.22 0.13 -0.07 -0.92 -1.00 0.00 0.00 179.01 176.93 2ske h TYR 780 N 0.00 0.10 -0.08 4.33 3.20 -0.75 -1.80 116.97 121.98 2ske h TYR 780 Ca -0.00 -0.04 -0.11 0.00 3.14 0.00 0.00 58.73 61.71 2ske h TYR 780 Cb 0.40 -0.01 -0.01 0.00 1.54 0.00 0.00 36.73 38.65 2ske h TYR 780 CO 0.00 0.74 -0.47 -0.39 -1.64 0.00 0.00 178.16 176.41 2ske h VAL 781 N -0.57 1.33 -0.28 1.81 -1.51 -1.39 0.10 116.25 115.74 2ske h VAL 781 Ca -0.01 -1.65 -0.02 0.00 -1.23 0.00 0.00 66.70 63.80 2ske h VAL 781 Cb 0.75 1.80 -0.01 0.00 -2.13 0.00 0.00 31.29 31.70 2ske h VAL 781 CO 0.02 0.49 0.11 0.50 -1.23 0.00 0.00 177.57 177.45 2ske h LYS 782 N 0.15 0.42 -0.11 5.19 1.63 -1.45 -1.96 116.57 120.44 2ske h LYS 782 Ca 0.01 -0.08 -0.08 0.00 -0.85 0.00 0.00 60.65 59.65 2ske h LYS 782 Cb 0.89 -0.07 -0.01 0.00 -0.60 0.00 0.00 32.23 32.44 2ske h LYS 782 CO 0.07 0.45 -0.30 0.00 -3.45 0.00 0.00 179.45 176.22 2ske h GLN 784 N 0.19 0.00 -0.44 0.00 1.08 -0.60 -2.51 115.11 112.83 2ske h GLN 784 Ca 0.03 0.00 -0.10 0.00 -1.45 0.00 0.00 58.65 57.13 2ske h GLN 784 Cb 0.62 0.00 -0.02 0.00 -0.05 0.00 0.00 27.48 28.04 2ske h GLN 784 CO 0.05 0.42 -0.13 0.93 -0.95 0.00 0.00 178.83 179.14 2ske h GLU 785 N 0.00 0.80 -0.25 1.46 5.08 -0.98 -2.65 114.58 118.05 2ske h GLU 785 Ca -0.00 -0.28 -0.07 0.00 -1.00 0.00 0.00 59.36 58.01 2ske h GLU 785 Cb 0.79 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.97 2ske h GLU 785 CO 0.05 0.89 -0.15 0.00 -1.00 0.00 0.00 179.01 178.80 2ske h ARG 786 N 0.72 0.42 -0.04 2.33 3.08 -1.38 -1.34 114.38 118.18 2ske h ARG 786 Ca 0.12 -0.12 -0.19 0.00 0.07 0.00 0.00 59.98 59.85 2ske h ARG 786 Cb 0.62 -0.04 -0.01 0.00 0.08 0.00 0.00 29.97 30.62 2ske h ARG 786 CO 0.04 0.57 -0.80 -0.39 -1.07 0.00 0.00 179.97 178.32 2ske h VAL 787 N 0.39 1.42 -0.80 2.04 -1.51 -1.38 -2.45 116.25 113.96 2ske h VAL 787 Ca 0.07 -2.32 -0.04 0.00 -1.23 0.00 0.00 66.70 63.18 2ske h VAL 787 Cb 0.50 2.27 -0.04 0.00 -2.13 0.00 0.00 31.29 31.89 2ske h VAL 787 CO 0.03 0.69 0.34 0.28 -1.23 0.00 0.00 177.57 177.69 2ske h SER 788 N 0.21 1.08 -0.50 4.19 0.02 -1.13 -0.06 113.55 117.35 2ske h SER 788 Ca -0.04 -0.16 -0.01 0.00 -0.84 0.00 0.00 61.79 60.74 2ske h SER 788 Cb 1.40 -0.28 -0.02 0.00 0.14 0.00 0.00 62.40 63.64 2ske h SER 788 CO 0.13 0.94 0.27 0.00 -1.14 0.00 0.00 176.83 177.03 2ske h ALA 789 N 1.18 0.65 0.00 3.77 0.00 -1.15 -2.71 119.26 121.01 2ske h ALA 789 Ca 0.27 -0.10 -0.09 0.00 0.00 0.00 0.00 54.91 54.99 2ske h ALA 789 Cb 0.18 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.75 2ske h ALA 789 CO -0.03 0.18 -0.45 1.25 0.00 0.00 0.00 179.25 180.21 2ske h LEU 790 N 0.67 0.00 -1.06 0.00 6.46 -1.03 -2.87 115.31 117.47 2ske h LEU 790 Ca 0.18 0.00 -0.04 0.00 -0.12 0.00 0.00 57.88 57.90 2ske h LEU 790 Cb 0.07 0.00 -0.01 0.00 -0.73 0.00 0.00 40.66 39.99 2ske h LEU 790 CO -0.03 0.45 -0.17 0.22 -0.62 0.00 0.00 178.44 178.29 2ske h TYR 791 N 0.00 0.00 0.00 1.25 3.20 -0.72 -2.09 116.97 118.62 2ske h TYR 791 Ca -0.00 0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.87 2ske h TYR 791 Cb 0.91 0.00 0.00 0.00 1.54 0.00 0.00 36.73 39.18 2ske h TYR 791 CO 0.00 0.17 0.00 1.63 -1.64 0.00 0.00 178.16 178.32 2ske n LYS 792 N -3.29 0.12 -3.59 1.82 5.02 -1.05 -3.73 118.16 113.45 2ske n LYS 792 Ca 0.01 0.32 -0.30 0.00 -2.02 0.00 0.00 58.31 56.32 2ske n LYS 792 Cb 0.42 -1.71 -0.08 0.00 -0.02 0.00 0.00 35.03 33.64 2ske n LYS 792 CO 0.00 0.00 0.00 -1.71 -0.52 0.00 0.00 177.40 175.17 2ske n ASN 793 N -1.93 3.78 -0.29 4.39 2.85 -0.78 -4.98 115.26 118.30 2ske n ASN 793 Ca 0.03 -3.32 0.10 0.00 -0.11 0.00 0.00 54.58 51.28 2ske n ASN 793 Cb 0.23 -0.80 0.20 0.00 1.24 0.00 0.00 39.78 40.64 2ske n ASN 793 CO 0.00 0.00 0.00 -2.65 -2.11 0.00 0.00 177.26 172.50 2ske n PRO 794 N 1.47 -0.07 -0.27 1.20 -0.02 -1.24 -1.15 135.00 134.92 2ske n PRO 794 Ca 0.25 1.28 -0.06 0.00 -2.02 0.00 0.00 63.50 62.94 2ske n PRO 794 Cb 0.38 -1.98 0.06 0.00 -0.02 0.00 0.00 33.50 31.93 2ske n PRO 794 CO 0.00 0.00 0.00 -0.09 1.98 0.00 0.00 175.50 177.39 2ske h ARG 795 N 0.00 1.13 0.05 -0.52 2.43 -1.93 -1.40 114.38 114.14 2ske h ARG 795 Ca 0.47 -0.22 -0.24 0.00 -0.81 0.00 0.00 59.98 59.18 2ske h ARG 795 Cb 0.88 -0.18 -0.00 0.00 -0.42 0.00 0.00 29.97 30.25 2ske h ARG 795 CO -0.82 0.94 -1.05 0.93 -1.51 0.00 0.00 179.97 178.47 2ske h GLU 796 N 1.09 0.30 0.42 0.20 4.39 -1.45 -2.17 114.58 117.36 2ske h GLU 796 Ca 0.25 -0.39 -0.02 0.00 0.34 0.00 0.00 59.36 59.54 2ske h GLU 796 Cb 0.25 0.13 0.00 0.00 -0.10 0.00 0.00 28.75 29.03 2ske h GLU 796 CO -0.02 1.12 -0.20 2.35 -1.16 0.00 0.00 179.01 181.10 2ske h TRP 797 N 0.14 -0.52 -0.48 4.33 2.91 -1.17 -1.48 115.95 119.68 2ske h TRP 797 Ca -0.09 -0.01 0.04 0.00 1.13 0.00 0.00 58.89 59.96 2ske h TRP 797 Cb 1.72 0.17 -0.03 0.00 -0.51 0.00 0.00 29.16 30.52 2ske h TRP 797 CO 0.05 -0.28 0.32 1.15 -1.03 0.00 0.00 178.44 178.65 2ske h THR 798 N -0.64 1.03 -0.01 2.65 2.02 -1.32 -0.16 112.91 116.48 2ske h THR 798 Ca -0.06 -0.17 -0.11 0.00 0.77 0.00 0.00 66.41 66.84 2ske h THR 798 Cb 0.47 0.48 -0.01 0.00 -1.74 0.00 0.00 68.15 67.35 2ske h THR 798 CO 0.09 0.09 -0.51 0.03 0.37 0.00 0.00 175.52 175.60 2ske h ARG 799 N 0.50 0.03 -0.04 6.66 3.08 -1.06 -1.20 114.38 122.35 2ske h ARG 799 Ca 0.20 -0.02 -0.21 0.00 0.07 0.00 0.00 59.98 60.02 2ske h ARG 799 Cb 0.16 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.22 2ske h ARG 799 CO -0.05 0.54 -0.86 1.98 -1.07 0.00 0.00 179.97 180.51 2ske h MET 800 N 0.03 0.47 -0.14 0.04 4.05 -0.09 -2.84 114.93 116.44 2ske h MET 800 Ca -0.00 -0.44 0.02 0.00 -0.28 0.00 0.00 59.70 58.99 2ske h MET 800 Cb 0.91 0.11 -0.02 0.00 -0.80 0.00 0.00 31.60 31.81 2ske h MET 800 CO 0.07 1.09 0.04 0.28 0.23 0.00 0.00 176.91 178.61 2ske h VAL 801 N 0.29 0.95 -0.36 -5.77 2.07 -0.67 -1.04 116.25 111.72 2ske h VAL 801 Ca -0.06 -0.04 0.07 0.00 0.82 0.00 0.00 66.70 67.49 2ske h VAL 801 Cb 1.47 0.84 -0.02 0.00 -1.52 0.00 0.00 31.29 32.06 2ske h VAL 801 CO 0.15 0.02 0.25 0.40 0.02 0.00 0.00 177.57 178.41 2ske h ILE 802 N 0.10 0.90 -0.04 4.57 2.04 -1.20 0.07 117.51 123.95 2ske h ILE 802 Ca 0.06 -0.06 -0.12 0.00 1.00 0.00 0.00 64.86 65.75 2ske h ILE 802 Cb 0.05 0.72 -0.01 0.00 -0.74 0.00 0.00 36.82 36.84 2ske h ILE 802 CO -0.07 0.03 -0.50 -0.09 0.00 0.00 0.00 178.15 177.51 2ske h ARG 803 N 0.17 0.12 0.03 2.37 9.65 -0.97 -1.38 114.38 124.37 2ske h ARG 803 Ca 0.16 -0.06 -0.00 0.00 -1.10 0.00 0.00 59.98 58.98 2ske h ARG 803 Cb 0.44 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 29.03 2ske h ARG 803 CO -0.02 0.59 -0.01 -0.91 2.80 0.00 0.00 179.97 182.42 2ske h ASN 804 N 0.09 -0.03 -0.16 -3.80 2.35 -0.28 -3.20 115.58 110.55 2ske h ASN 804 Ca 0.00 -0.55 0.05 0.00 -0.55 0.00 0.00 56.30 55.25 2ske h ASN 804 Cb 0.92 0.01 -0.06 0.00 0.05 0.00 0.00 38.32 39.24 2ske h ASN 804 CO 0.07 0.72 -0.22 0.40 -1.65 0.00 0.00 177.43 176.75 2ske h ILE 805 N -0.97 0.44 0.00 2.81 2.04 -1.22 -0.18 117.51 120.43 2ske h ILE 805 Ca -0.00 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.86 2ske h ILE 805 Cb 0.58 0.44 0.00 0.00 -0.74 0.00 0.00 36.82 37.10 2ske h ILE 805 CO 0.01 0.00 0.00 0.00 0.00 0.00 0.00 178.15 178.16 2ske n ALA 806 N -2.72 1.08 -0.11 1.87 0.00 -0.52 -1.93 120.51 118.18 2ske n ALA 806 Ca -0.02 0.10 0.02 0.00 0.00 0.00 0.00 53.44 53.53 2ske n ALA 806 Cb 0.27 -1.18 0.03 0.00 0.00 0.00 0.00 19.45 18.58 2ske n ALA 806 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 177.50 175.13 2ske n THR 807 N -1.89 1.08 1.29 0.00 5.66 -0.15 -2.34 114.28 117.92 2ske n THR 807 Ca -0.00 -1.10 0.13 0.00 -3.05 0.00 0.00 64.05 60.03 2ske n THR 807 Cb 0.03 0.44 0.47 0.00 -1.55 0.00 0.00 70.33 69.72 2ske n THR 807 CO 0.00 0.00 0.00 -1.54 -3.05 0.00 0.00 175.07 170.48 2ske n SER 808 N -0.43 0.78 -0.37 1.09 3.41 -0.74 -4.41 113.62 112.95 2ske n SER 808 Ca 0.03 -0.73 0.28 0.00 -0.26 0.00 0.00 58.87 58.19 2ske n SER 808 Cb 0.31 0.05 0.54 0.00 -0.26 0.00 0.00 64.21 64.85 2ske n SER 808 CO 0.00 0.00 0.00 1.23 -0.16 0.00 0.00 175.04 176.11 2ske h GLY 809 N 4.94 1.50 2.00 5.00 0.00 -1.77 -0.67 103.07 114.07 2ske h GLY 809 Ca 0.00 -0.19 0.00 0.00 0.00 0.00 0.00 47.33 47.14 2ske h GLY 809 CO 0.00 -0.33 0.00 1.70 0.00 0.00 0.00 176.54 177.91 2ske h LYS 810 N 0.28 0.00 -0.80 4.80 3.64 -1.88 -3.04 116.57 119.57 2ske h LYS 810 Ca 0.71 0.00 -0.23 0.00 -1.27 0.00 0.00 60.65 59.86 2ske h LYS 810 Cb 1.90 0.00 -0.14 0.00 -0.41 0.00 0.00 32.23 33.58 2ske h LYS 810 CO -0.43 0.00 0.30 1.19 -2.27 0.00 0.00 179.45 178.24 2ske n PHE 811 N -2.38 2.39 -3.09 1.91 3.72 -0.26 -4.83 117.46 114.93 2ske n PHE 811 Ca -0.00 -1.20 -0.39 0.00 -0.05 0.00 0.00 57.45 55.81 2ske n PHE 811 Cb 0.12 -0.69 -0.06 0.00 -0.94 0.00 0.00 39.48 37.91 2ske n PHE 811 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 176.76 177.16 2ske s SER 812 N -0.92 7.26 0.00 4.37 0.15 -1.15 -0.84 113.70 122.56 2ske s SER 812 Ca 0.52 1.49 0.12 0.00 0.70 0.00 0.00 55.95 58.78 2ske s SER 812 Cb 0.42 -2.44 0.57 0.00 -1.71 0.00 0.00 66.02 62.86 2ske s SER 812 CO 0.13 0.23 1.35 -1.54 1.20 0.00 0.00 173.24 174.60 2ske n SER 813 N 1.70 0.00 0.08 5.45 3.41 0.64 -1.74 113.62 123.15 2ske n SER 813 Ca -0.07 0.30 -0.09 0.00 -0.26 0.00 0.00 58.87 58.75 2ske n SER 813 Cb 0.49 -0.39 0.01 0.00 -0.26 0.00 0.00 64.21 64.07 2ske n SER 813 CO 0.00 0.00 0.00 0.44 -0.16 0.00 0.00 175.04 175.32 2ske h ASP 814 N 0.00 0.35 -0.14 4.04 3.32 -1.92 0.08 116.42 122.14 2ske h ASP 814 Ca 0.00 -0.26 -0.16 0.00 0.02 0.00 0.00 57.03 56.63 2ske h ASP 814 Cb 0.16 -0.10 0.01 0.00 0.22 0.00 0.00 39.33 39.61 2ske h ASP 814 CO 0.00 1.02 -0.55 -0.09 -1.72 0.00 0.00 179.24 177.91 2ske h ARG 815 N 0.17 0.61 -0.12 3.56 1.12 -1.67 -2.04 114.38 116.01 2ske h ARG 815 Ca -0.04 -0.47 -0.00 0.00 -1.11 0.00 0.00 59.98 58.35 2ske h ARG 815 Cb 1.41 0.09 -0.01 0.00 -0.01 0.00 0.00 29.97 31.46 2ske h ARG 815 CO 0.13 1.10 0.08 1.15 -3.11 0.00 0.00 179.97 179.31 2ske h THR 816 N 0.26 1.05 -0.51 0.20 2.02 -1.47 -2.48 112.91 111.99 2ske h THR 816 Ca -0.03 -0.13 -0.07 0.00 0.77 0.00 0.00 66.41 66.96 2ske h THR 816 Cb 1.18 0.92 -0.02 0.00 -1.74 0.00 0.00 68.15 68.48 2ske h THR 816 CO 0.11 0.05 0.05 0.40 0.37 0.00 0.00 175.52 176.50 2ske h ILE 817 N 0.14 1.24 -0.19 3.11 1.08 -1.01 -1.69 117.51 120.19 2ske h ILE 817 Ca 0.04 -0.95 -0.04 0.00 -0.39 0.00 0.00 64.86 63.53 2ske h ILE 817 Cb 0.01 0.80 -0.01 0.00 -3.07 0.00 0.00 36.82 34.55 2ske h ILE 817 CO -0.01 0.34 -0.04 0.00 -0.69 0.00 0.00 178.15 177.75 2ske h ALA 818 N 1.27 1.58 0.07 1.87 0.00 -1.16 -0.08 119.26 122.82 2ske h ALA 818 Ca 0.16 -0.15 -0.23 0.00 0.00 0.00 0.00 54.91 54.69 2ske h ALA 818 Cb 0.40 -0.09 0.02 0.00 0.00 0.00 0.00 17.79 18.12 2ske h ALA 818 CO 0.01 0.31 -0.93 1.96 0.00 0.00 0.00 179.25 180.60 2ske h GLN 819 N 0.28 0.51 -0.27 0.00 4.20 -0.98 -2.26 115.11 116.59 2ske h GLN 819 Ca 0.06 -0.64 0.03 0.00 0.06 0.00 0.00 58.65 58.16 2ske h GLN 819 Cb 0.26 0.20 -0.03 0.00 0.30 0.00 0.00 27.48 28.21 2ske h GLN 819 CO 0.01 1.26 0.09 1.88 -0.67 0.00 0.00 178.83 181.40 2ske h TYR 820 N 0.05 0.16 0.24 2.96 0.05 -1.08 0.23 116.97 119.59 2ske h TYR 820 Ca -0.14 0.01 0.01 0.00 0.05 0.00 0.00 58.73 58.67 2ske h TYR 820 Cb 1.64 -0.03 -0.03 0.00 1.01 0.00 0.00 36.73 39.32 2ske h TYR 820 CO 0.14 0.07 -0.34 0.00 -1.05 0.00 0.00 178.16 176.98 2ske h ALA 821 N 1.17 -0.67 -0.07 3.88 0.00 -1.05 0.11 119.26 122.64 2ske h ALA 821 Ca 0.12 -0.09 -0.05 0.00 0.00 0.00 0.00 54.91 54.89 2ske h ALA 821 Cb 0.09 0.52 0.00 0.00 0.00 0.00 0.00 17.79 18.40 2ske h ALA 821 CO -0.13 -0.92 -0.14 0.00 0.00 0.00 0.00 179.25 178.06 2ske h ARG 822 N -0.65 0.22 0.00 0.00 3.08 -1.23 0.85 114.38 116.66 2ske h ARG 822 Ca 0.00 -0.15 0.00 0.00 0.07 0.00 0.00 59.98 59.91 2ske h ARG 822 Cb 0.62 0.02 0.00 0.00 0.08 0.00 0.00 29.97 30.69 2ske h ARG 822 CO -0.12 0.73 -0.39 0.39 -1.07 0.00 0.00 179.97 179.51 2ske n GLU 823 N -4.61 0.09 0.05 0.04 1.02 0.80 -4.08 120.64 113.95 2ske n GLU 823 Ca -0.08 0.04 0.00 0.00 -0.02 0.00 0.00 57.16 57.10 2ske n GLU 823 Cb 0.38 -1.57 0.00 0.00 -0.02 0.00 0.00 31.44 30.23 2ske n GLU 823 CO 0.00 0.00 0.00 -0.89 1.18 0.00 0.00 177.13 177.42 2ske n ILE 824 N -1.71 0.41 0.10 -3.67 5.41 0.07 -4.88 119.36 115.09 2ske n ILE 824 Ca 0.05 0.13 -0.04 0.00 1.00 0.00 0.00 62.75 63.90 2ske n ILE 824 Cb 0.37 -1.14 0.06 0.00 -0.71 0.00 0.00 39.64 38.22 2ske n ILE 824 CO 0.00 0.00 0.00 -0.50 0.00 0.00 0.00 176.55 176.05 2ske h TRP 825 N 0.00 0.07 -1.09 1.39 6.55 -0.74 -3.48 115.95 118.65 2ske h TRP 825 Ca 0.00 -0.04 -0.01 0.00 0.95 0.00 0.00 58.89 59.80 2ske h TRP 825 Cb 0.28 -0.01 0.00 0.00 -0.86 0.00 0.00 29.16 28.58 2ske h TRP 825 CO 0.00 0.79 -0.01 0.41 -1.05 0.00 0.00 178.44 178.57 2ske n GLY 826 N 0.63 0.93 3.14 1.49 0.00 0.29 -4.98 105.19 106.68 2ske n GLY 826 Ca -0.01 -0.66 -0.14 0.00 0.00 0.00 0.00 46.02 45.20 2ske n GLY 826 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2ske s VAL 827 N -3.01 0.83 -0.23 1.61 -7.23 -0.59 -5.00 120.40 106.78 2ske s VAL 827 Ca 0.01 -1.43 -0.09 0.00 -1.81 0.00 0.00 61.98 58.66 2ske s VAL 827 Cb -0.00 -1.10 -0.04 0.00 0.56 0.00 0.00 36.38 35.79 2ske s VAL 827 CO 0.01 -0.46 0.11 -1.61 -0.31 0.00 0.00 175.10 172.83 2ske s GLU 828 N -2.30 3.88 0.79 4.82 0.41 -1.26 -3.45 118.70 121.59 2ske s GLU 828 Ca -0.00 -0.37 -0.12 0.00 -0.41 0.00 0.00 54.97 54.06 2ske s GLU 828 Cb -0.06 -3.39 0.07 0.00 -1.78 0.00 0.00 34.13 28.98 2ske s GLU 828 CO 0.00 -0.00 1.15 -1.25 -0.49 0.00 0.00 175.26 174.67 2ske s PRO 829 N 1.16 1.86 -0.15 0.39 0.04 -1.26 -4.97 135.00 132.08 2ske s PRO 829 Ca 0.06 1.51 -0.07 0.00 0.04 0.00 0.00 61.00 62.54 2ske s PRO 829 Cb -0.14 -1.83 0.06 0.00 0.04 0.00 0.00 34.50 32.64 2ske s PRO 829 CO 0.04 -1.99 0.34 0.45 0.04 0.00 0.00 177.00 175.88 2ske s SER 830 N -2.62 -0.23 -0.44 6.66 0.15 -0.63 -5.02 113.70 111.57 2ske s SER 830 Ca 0.68 0.76 0.00 0.00 0.70 0.00 0.00 55.95 58.09 2ske s SER 830 Cb -0.23 0.78 0.41 0.00 -1.71 0.00 0.00 66.02 65.27 2ske s SER 830 CO 0.51 -0.20 1.90 0.54 1.20 0.00 0.00 173.24 177.19 2ske n ARG 831 N 4.68 2.16 -3.16 5.44 5.12 -1.26 -3.48 116.66 126.17 2ske n ARG 831 Ca -0.18 -2.43 -0.40 0.00 -1.93 0.00 0.00 57.85 52.91 2ske n ARG 831 Cb 0.52 -1.95 -0.06 0.00 -1.16 0.00 0.00 32.46 29.81 2ske n ARG 831 CO 0.00 0.00 0.00 -0.65 -1.93 0.00 0.00 177.63 175.05 2ske s GLN 832 N -2.77 4.22 0.13 5.56 -0.21 -1.26 -5.03 119.66 120.30 2ske s GLN 832 Ca 0.47 0.57 -0.31 0.00 0.02 0.00 0.00 55.36 56.11 2ske s GLN 832 Cb 0.38 -3.56 -0.10 0.00 1.00 0.00 0.00 33.01 30.73 2ske s GLN 832 CO 0.03 -0.19 1.70 1.03 -2.12 0.00 0.00 175.29 175.74 2ske s ARG 833 N 1.74 4.17 0.49 2.91 3.00 -1.26 -4.96 118.95 125.03 2ske s ARG 833 Ca 0.28 2.46 -0.22 0.00 0.00 0.00 0.00 55.73 58.25 2ske s ARG 833 Cb -0.16 -3.40 -0.07 0.00 0.00 0.00 0.00 34.95 31.33 2ske s ARG 833 CO 0.10 -0.74 1.19 -1.17 0.00 0.00 0.00 175.30 174.69 2ske s LEU 834 N 2.05 3.94 -0.14 2.53 2.96 0.88 -4.77 118.68 126.14 2ske s LEU 834 Ca 0.75 2.35 -0.13 0.00 -0.22 0.00 0.00 54.13 56.88 2ske s LEU 834 Cb -0.44 -4.30 -0.15 0.00 0.50 0.00 0.00 46.19 41.79 2ske s LEU 834 CO 0.33 -1.07 1.13 -0.81 -1.32 0.00 0.00 176.35 174.62 2ske n PRO 835 N -0.70 0.01 -0.66 0.98 -0.04 -1.26 -4.75 135.00 128.57 2ske n PRO 835 Ca 0.08 -0.54 0.06 0.00 -0.04 0.00 0.00 63.50 63.06 2ske n PRO 835 Cb 0.48 -1.86 -0.02 0.00 -0.04 0.00 0.00 33.50 32.06 2ske n PRO 835 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2ske n ALA 836 N 7.55 -2.54 0.03 0.55 0.00 -1.26 -4.64 120.51 120.19 2ske n ALA 836 Ca 0.20 0.19 0.10 0.00 0.00 0.00 0.00 53.44 53.93 2ske n ALA 836 Cb 0.37 -0.77 -0.10 0.00 0.00 0.00 0.00 19.45 18.95 2ske n ALA 836 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 2ske n PRO 837 N -2.31 0.64 0.00 0.00 -0.04 -1.26 -4.95 135.00 127.08 2ske n PRO 837 Ca -0.01 -0.06 0.00 0.00 -0.04 0.00 0.00 63.50 63.40 2ske n PRO 837 Cb 0.55 -1.65 0.00 0.00 -0.04 0.00 0.00 33.50 32.37 2ske n PRO 837 CO 0.00 0.00 0.00 -3.47 -0.04 0.00 0.00 175.50 171.99 2ske n ASP 838 N -2.46 0.00 0.00 3.54 2.03 -1.26 -4.56 116.55 113.84 2ske n ASP 838 Ca -0.04 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.27 2ske n ASP 838 Cb 0.59 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.99 2ske n ASP 838 CO 0.00 0.00 0.00 1.21 -1.92 0.00 0.00 177.20 176.49 2ske n GLU 839 N 0.00 0.00 -1.74 -0.67 0.00 -1.26 -4.95 120.64 112.02 2ske n GLU 839 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57.16 57.16 2ske n GLU 839 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31.44 31.44 2ske n GLU 839 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.13 177.49 2ske n LYS 840 N 0.00 -3.72 -3.24 5.31 -0.00 -1.26 -5.03 118.16 110.22 2ske n LYS 840 Ca 0.00 2.71 -0.12 0.00 -0.00 0.00 0.00 58.31 60.90 2ske n LYS 840 Cb 0.00 -3.15 -0.05 0.00 -0.00 0.00 0.00 35.03 31.83 2ske n LYS 840 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 177.40 175.90 2ske s ILE 841 N -2.14 -0.52 -2.00 0.58 -1.16 -1.26 -5.15 121.20 109.55 2ske s ILE 841 Ca 0.00 -0.94 0.31 0.00 -0.51 0.00 0.00 60.65 59.52 2ske s ILE 841 Cb 0.00 -0.47 0.89 0.00 0.61 0.00 0.00 42.46 43.49 2ske s ILE 841 CO 0.00 -0.43 2.19 -2.65 -2.81 0.00 0.00 174.94 171.24