#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wut n SER 14 N 0.00 0.00 -2.89 7.28 7.64 -1.26 -4.90 113.62 119.49 1wut n SER 14 Ca 0.00 0.00 -0.38 0.00 1.01 0.00 0.00 58.87 59.50 1wut n SER 14 Cb 0.00 0.00 0.03 0.00 -1.01 0.00 0.00 64.21 63.23 1wut n SER 14 CO 0.00 0.00 0.00 0.55 -3.01 0.00 0.00 175.04 172.58 1wut n VAL 15 N -0.55 3.66 -0.46 0.44 3.14 -1.26 -4.50 118.33 118.80 1wut n VAL 15 Ca 0.00 -4.20 -0.03 0.00 -2.96 0.00 0.00 64.34 57.16 1wut n VAL 15 Cb 0.00 -1.30 0.24 0.00 -1.06 0.00 0.00 33.84 31.72 1wut n VAL 15 CO 0.00 0.00 0.00 0.54 -6.46 0.00 0.00 176.83 170.91 1wut n ARG 16 N -0.34 3.19 0.00 1.45 1.74 -1.26 -5.01 116.66 116.43 1wut n ARG 16 Ca 0.53 -2.26 0.00 0.00 -0.77 0.00 0.00 57.85 55.35 1wut n ARG 16 Cb 0.27 -1.99 0.00 0.00 -1.02 0.00 0.00 32.46 29.72 1wut n ARG 16 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1wut n GLY 17 N 0.06 -3.09 3.89 -0.13 0.00 -1.26 -1.55 105.19 103.11 1wut n GLY 17 Ca 0.28 -2.17 -0.33 0.00 0.00 0.00 0.00 46.02 43.80 1wut n GLY 17 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1wut s LEU 18 N 0.00 4.30 -0.90 0.99 2.01 -1.26 -4.69 118.68 119.13 1wut s LEU 18 Ca 0.00 0.65 0.00 0.00 0.01 0.00 0.00 54.13 54.80 1wut s LEU 18 Cb 0.00 -3.13 0.30 0.00 0.01 0.00 0.00 46.19 43.37 1wut s LEU 18 CO 0.00 0.11 1.33 0.00 1.01 0.00 0.00 176.35 178.80 1wut n ALA 19 N 0.48 5.08 -1.66 4.21 0.00 -1.26 -3.73 120.51 123.62 1wut n ALA 19 Ca -0.05 -4.74 -0.40 0.00 0.00 0.00 0.00 53.44 48.25 1wut n ALA 19 Cb 0.52 -1.77 0.03 0.00 0.00 0.00 0.00 19.45 18.23 1wut n ALA 19 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1wut n GLY 20 N 0.68 0.14 0.09 0.00 0.00 -1.26 -4.84 105.19 100.00 1wut n GLY 20 Ca 0.32 0.06 -0.13 0.00 0.00 0.00 0.00 46.02 46.28 1wut n GLY 20 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 1wut h VAL 21 N 1.40 0.89 -0.48 1.61 2.07 -2.00 -1.25 116.25 118.49 1wut h VAL 21 Ca -0.48 0.00 -0.08 0.00 0.82 0.00 0.00 66.70 66.96 1wut h VAL 21 Cb 1.33 0.89 -0.02 0.00 -1.52 0.00 0.00 31.29 31.97 1wut h VAL 21 CO 0.56 0.00 -0.04 -0.33 0.02 0.00 0.00 177.57 177.78 1wut h GLU 22 N -0.13 0.82 0.00 1.57 3.07 -2.00 -3.00 114.58 114.91 1wut h GLU 22 Ca -0.01 -0.24 -0.13 0.00 -0.50 0.00 0.00 59.36 58.48 1wut h GLU 22 Cb 0.11 -0.08 -0.02 0.00 -0.84 0.00 0.00 28.75 27.92 1wut h GLU 22 CO 0.00 0.84 -0.63 -0.91 -1.40 0.00 0.00 179.01 176.92 1wut h ASN 23 N 0.75 0.00 0.32 1.42 4.21 -1.91 -1.42 115.58 118.96 1wut h ASN 23 Ca 0.14 0.00 -0.17 0.00 1.21 0.00 0.00 56.30 57.47 1wut h ASN 23 Cb 0.51 0.00 -0.01 0.00 -1.12 0.00 0.00 38.32 37.70 1wut h ASN 23 CO 0.03 0.63 -0.71 0.58 -1.29 0.00 0.00 177.43 176.67 1wut h VAL 24 N 0.00 1.39 -0.16 2.81 2.07 -1.21 -1.06 116.25 120.09 1wut h VAL 24 Ca -0.01 -2.15 -0.06 0.00 0.82 0.00 0.00 66.70 65.31 1wut h VAL 24 Cb 1.38 2.12 -0.00 0.00 -1.52 0.00 0.00 31.29 33.27 1wut h VAL 24 CO 0.08 0.64 -0.11 0.74 0.02 0.00 0.00 177.57 178.94 1wut h THR 25 N 0.23 1.33 -0.40 2.57 2.02 -1.47 -2.23 112.91 114.96 1wut h THR 25 Ca -0.02 -1.21 -0.00 0.00 0.77 0.00 0.00 66.41 65.94 1wut h THR 25 Cb 1.27 1.77 -0.02 0.00 -1.74 0.00 0.00 68.15 69.43 1wut h THR 25 CO 0.12 0.36 0.23 -0.08 0.37 0.00 0.00 175.52 176.52 1wut h GLU 26 N 0.03 0.55 -0.52 6.66 4.57 -1.24 -2.63 114.58 121.99 1wut h GLU 26 Ca 0.03 -0.06 0.06 0.00 -1.18 0.00 0.00 59.36 58.21 1wut h GLU 26 Cb 0.62 -0.11 -0.05 0.00 -0.16 0.00 0.00 28.75 29.04 1wut h GLU 26 CO 0.03 0.42 0.24 -0.07 -1.18 0.00 0.00 179.01 178.45 1wut h LEU 27 N 0.52 0.31 -0.67 1.64 4.07 -1.13 -2.22 115.31 117.83 1wut h LEU 27 Ca 0.14 0.04 -0.01 0.00 0.08 0.00 0.00 57.88 58.13 1wut h LEU 27 Cb 0.03 -0.01 -0.03 0.00 1.08 0.00 0.00 40.66 41.73 1wut h LEU 27 CO -0.02 0.21 0.37 0.11 -1.08 0.00 0.00 178.44 178.03 1wut h LYS 28 N 0.46 0.93 -0.04 1.13 1.57 -1.15 0.21 116.57 119.68 1wut h LYS 28 Ca 0.24 -0.11 -0.12 0.00 -1.87 0.00 0.00 60.65 58.79 1wut h LYS 28 Cb 0.20 -0.18 -0.01 0.00 0.08 0.00 0.00 32.23 32.31 1wut h LYS 28 CO -0.20 0.70 -0.52 1.57 -0.57 0.00 0.00 179.45 180.43 1wut h LYS 29 N 0.92 0.11 -0.02 3.15 2.10 -1.21 -1.59 116.57 120.03 1wut h LYS 29 Ca 0.24 -0.07 -0.17 0.00 -2.00 0.00 0.00 60.65 58.66 1wut h LYS 29 Cb 0.03 0.01 -0.01 0.00 -0.90 0.00 0.00 32.23 31.35 1wut h LYS 29 CO -0.04 0.61 -0.74 -0.91 -2.00 0.00 0.00 179.45 176.37 1wut h ASN 30 N 0.09 0.19 -0.40 7.07 2.35 -1.09 0.26 115.58 124.03 1wut h ASN 30 Ca -0.00 -0.13 -0.03 0.00 -0.55 0.00 0.00 56.30 55.59 1wut h ASN 30 Cb 0.96 -0.06 -0.02 0.00 0.05 0.00 0.00 38.32 39.25 1wut h ASN 30 CO 0.07 0.86 0.14 0.15 -1.65 0.00 0.00 177.43 177.00 1wut h PHE 31 N 0.10 0.64 -0.06 1.19 3.57 -0.61 -1.76 116.94 120.01 1wut h PHE 31 Ca -0.02 -0.06 -0.12 0.00 3.53 0.00 0.00 57.97 61.30 1wut h PHE 31 Cb 1.30 -0.19 -0.01 0.00 2.79 0.00 0.00 35.95 39.84 1wut h PHE 31 CO 0.02 0.59 -0.52 -0.91 -2.23 0.00 0.00 178.31 175.25 1wut h ASN 32 N 0.51 0.19 0.18 0.41 2.35 -1.08 -1.26 115.58 116.87 1wut h ASN 32 Ca 0.13 -0.09 -0.01 0.00 -0.55 0.00 0.00 56.30 55.78 1wut h ASN 32 Cb 0.24 -0.05 0.00 0.00 0.05 0.00 0.00 38.32 38.56 1wut h ASN 32 CO -0.01 0.68 -0.09 -0.09 -1.65 0.00 0.00 177.43 176.28 1wut h ARG 33 N 0.14 -0.23 -0.67 0.81 1.12 -0.14 -2.24 114.38 113.17 1wut h ARG 33 Ca 0.00 0.02 -0.07 0.00 -1.11 0.00 0.00 59.98 58.82 1wut h ARG 33 Cb 0.97 0.05 -0.03 0.00 -0.01 0.00 0.00 29.97 30.95 1wut h ARG 33 CO 0.08 -0.12 0.14 0.45 -3.11 0.00 0.00 179.97 177.40 1wut h HIS 34 N -0.27 1.15 -0.62 2.20 3.86 -1.22 0.18 115.15 120.43 1wut h HIS 34 Ca -0.02 -0.15 0.03 0.00 -1.16 0.00 0.00 60.37 59.06 1wut h HIS 34 Cb 0.21 -0.32 -0.03 0.00 1.06 0.00 0.00 27.41 28.33 1wut h HIS 34 CO -0.06 0.95 0.41 1.25 0.86 0.00 0.00 177.93 181.35 1wut h LEU 35 N 1.02 0.66 0.00 2.43 5.85 -1.13 0.18 115.31 124.31 1wut h LEU 35 Ca 0.21 -0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.92 1wut h LEU 35 Cb 0.40 -0.16 0.00 0.00 0.37 0.00 0.00 40.66 41.27 1wut h LEU 35 CO 0.01 0.46 -0.06 -0.74 -0.34 0.00 0.00 178.44 177.76 1wut h HIS 36 N 0.77 0.00 0.01 1.25 2.76 -1.03 -0.95 115.15 117.96 1wut h HIS 36 Ca 0.24 0.00 -0.22 0.00 -2.20 0.00 0.00 60.37 58.20 1wut h HIS 36 Cb 0.03 0.00 -0.00 0.00 1.55 0.00 0.00 27.41 28.99 1wut h HIS 36 CO -0.00 0.00 -0.94 0.74 -1.30 0.00 0.00 177.93 176.43 1wut h PHE 37 N -0.59 0.47 0.05 5.26 0.04 -0.72 -1.46 116.94 119.99 1wut h PHE 37 Ca 0.00 -0.26 -0.26 0.00 2.80 0.00 0.00 57.97 60.25 1wut h PHE 37 Cb 0.06 -0.05 -0.02 0.00 2.20 0.00 0.00 35.95 38.14 1wut h PHE 37 CO -0.03 1.09 -1.38 1.15 -0.60 0.00 0.00 178.31 178.55 1wut h THR 38 N 0.17 0.92 -0.01 -1.55 2.02 -1.01 -3.38 112.91 110.07 1wut h THR 38 Ca -0.07 -2.26 0.00 0.00 0.77 0.00 0.00 66.41 64.85 1wut h THR 38 Cb 1.58 2.43 0.00 0.00 -1.74 0.00 0.00 68.15 70.41 1wut h THR 38 CO 0.15 0.52 -0.41 0.18 0.37 0.00 0.00 175.52 176.33 1wut n LEU 39 N -4.15 1.00 -4.13 2.58 4.32 0.41 -4.95 117.00 112.07 1wut n LEU 39 Ca -0.30 -0.27 -0.32 0.00 -0.02 0.00 0.00 56.01 55.10 1wut n LEU 39 Cb 0.79 -0.13 -0.03 0.00 -1.62 0.00 0.00 43.42 42.43 1wut n LEU 39 CO 0.29 0.20 -0.11 0.52 -1.22 0.00 0.00 177.39 177.07 1wut n VAL 40 N -0.88 -1.71 -4.53 4.08 0.31 -0.55 -4.94 118.33 110.11 1wut n VAL 40 Ca 0.09 -0.18 -0.25 0.00 -0.01 0.00 0.00 64.34 63.99 1wut n VAL 40 Cb 0.36 -2.01 -0.11 0.00 -0.91 0.00 0.00 33.84 31.17 1wut n VAL 40 CO 0.00 0.00 0.00 -0.54 -1.32 0.00 0.00 176.83 174.97 1wut s LYS 41 N -6.82 1.78 0.05 5.55 -0.14 -0.37 -5.00 119.74 114.78 1wut s LYS 41 Ca 0.47 -1.96 0.06 0.00 -1.36 0.00 0.00 55.97 53.18 1wut s LYS 41 Cb -0.26 -1.38 -0.03 0.00 -1.68 0.00 0.00 37.83 34.48 1wut s LYS 41 CO 0.91 -0.02 -0.17 0.34 -0.76 0.00 0.00 175.35 175.65 1wut s ASP 42 N -3.58 2.03 0.46 2.83 2.15 -1.26 -4.00 116.67 115.29 1wut s ASP 42 Ca 0.34 -0.53 0.39 0.00 0.43 0.00 0.00 52.55 53.18 1wut s ASP 42 Cb 0.07 -0.13 1.34 0.00 -0.30 0.00 0.00 42.92 43.90 1wut s ASP 42 CO 0.16 0.06 1.24 0.54 -0.17 0.00 0.00 175.17 177.00 1wut n ARG 43 N 1.68 0.00 0.22 4.34 5.12 -1.26 -0.13 116.66 126.63 1wut n ARG 43 Ca -0.18 0.87 0.08 0.00 -1.93 0.00 0.00 57.85 56.69 1wut n ARG 43 Cb 0.54 -2.04 0.51 0.00 -1.16 0.00 0.00 32.46 30.31 1wut n ARG 43 CO 0.00 0.00 0.00 -0.91 -1.93 0.00 0.00 177.63 174.79 1wut h ASN 44 N 0.00 0.00 0.00 0.55 2.35 -2.04 -3.30 115.58 113.13 1wut h ASN 44 Ca 0.73 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 56.48 1wut h ASN 44 Cb 3.01 0.00 0.00 0.00 0.05 0.00 0.00 38.32 41.38 1wut h ASN 44 CO -0.01 0.25 0.00 1.33 -1.65 0.00 0.00 177.43 177.36 1wut n VAL 45 N -3.72 0.48 -2.29 2.81 0.24 0.82 -5.03 118.33 111.64 1wut n VAL 45 Ca -0.01 -0.54 -0.42 0.00 -2.04 0.00 0.00 64.34 61.33 1wut n VAL 45 Cb 0.36 0.83 -0.03 0.00 -1.47 0.00 0.00 33.84 33.54 1wut n VAL 45 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1wut s ALA 46 N -0.48 3.49 0.27 2.33 0.00 -0.99 -4.91 121.76 121.47 1wut s ALA 46 Ca 0.00 0.98 -0.02 0.00 0.00 0.00 0.00 51.96 52.92 1wut s ALA 46 Cb 0.00 -3.49 -0.04 0.00 0.00 0.00 0.00 23.12 19.58 1wut s ALA 46 CO 0.00 -0.53 0.49 0.95 0.00 0.00 0.00 175.76 176.66 1wut s THR 47 N 1.12 5.11 0.59 0.00 -4.23 -1.26 -4.95 115.64 112.03 1wut s THR 47 Ca 0.62 -0.23 0.29 0.00 -1.18 0.00 0.00 61.69 61.18 1wut s THR 47 Cb -0.33 -3.76 0.38 0.00 1.34 0.00 0.00 72.50 70.12 1wut s THR 47 CO 0.30 -0.32 1.89 -0.65 -0.54 0.00 0.00 174.62 175.30 1wut h PRO 48 N 1.59 0.00 -0.21 3.99 0.11 -2.00 0.42 132.00 135.90 1wut h PRO 48 Ca -0.48 0.00 -0.13 0.00 0.11 0.00 0.00 66.00 65.50 1wut h PRO 48 Cb 1.20 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.30 1wut h PRO 48 CO 0.66 0.00 -0.42 -0.09 -0.21 0.00 0.00 178.00 177.94 1wut h ARG 49 N 0.00 0.50 -0.55 1.05 9.65 -1.97 -1.25 114.38 121.81 1wut h ARG 49 Ca 0.21 -0.26 -0.08 0.00 -1.10 0.00 0.00 59.98 58.75 1wut h ARG 49 Cb 1.17 0.01 -0.02 0.00 -1.39 0.00 0.00 29.97 29.73 1wut h ARG 49 CO -0.00 0.83 0.02 -0.44 2.80 0.00 0.00 179.97 183.18 1wut h ASP 50 N 0.41 0.93 -0.69 -3.80 5.19 -0.54 -2.20 116.42 115.73 1wut h ASP 50 Ca 0.03 -0.30 -0.06 0.00 -0.62 0.00 0.00 57.03 56.09 1wut h ASP 50 Cb 0.91 -0.25 -0.03 0.00 0.18 0.00 0.00 39.33 40.14 1wut h ASP 50 CO 0.08 1.00 0.20 1.88 -3.12 0.00 0.00 179.24 179.28 1wut h TYR 51 N 0.83 1.12 -0.70 4.55 0.05 -1.24 -0.49 116.97 121.10 1wut h TYR 51 Ca 0.16 -0.12 -0.01 0.00 0.05 0.00 0.00 58.73 58.81 1wut h TYR 51 Cb 0.51 -0.32 -0.03 0.00 1.01 0.00 0.00 36.73 37.90 1wut h TYR 51 CO 0.04 0.90 0.41 -0.92 -1.05 0.00 0.00 178.16 177.54 1wut h TYR 52 N 1.01 0.93 -0.44 4.88 3.20 -1.02 -2.11 116.97 123.43 1wut h TYR 52 Ca 0.22 -0.01 -0.13 0.00 3.14 0.00 0.00 58.73 61.95 1wut h TYR 52 Cb 0.32 -0.30 -0.01 0.00 1.54 0.00 0.00 36.73 38.27 1wut h TYR 52 CO 0.02 0.64 -0.23 0.74 -1.64 0.00 0.00 178.16 177.69 1wut h PHE 53 N 0.95 1.02 -0.82 -3.82 -1.00 -0.95 -0.60 116.94 111.71 1wut h PHE 53 Ca 0.25 -0.25 0.01 0.00 2.81 0.00 0.00 57.97 60.79 1wut h PHE 53 Cb -0.01 -0.24 -0.04 0.00 3.61 0.00 0.00 35.95 39.27 1wut h PHE 53 CO -0.01 1.03 0.54 0.00 -1.61 0.00 0.00 178.31 178.26 1wut h ALA 54 N 0.96 1.05 -0.27 2.45 0.00 -0.84 0.52 119.26 123.13 1wut h ALA 54 Ca 0.10 -0.05 -0.10 0.00 0.00 0.00 0.00 54.91 54.86 1wut h ALA 54 Cb 0.78 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 18.24 1wut h ALA 54 CO 0.06 0.44 -0.21 1.25 0.00 0.00 0.00 179.25 180.79 1wut h LEU 55 N 1.10 0.65 -0.47 0.00 5.85 -1.21 -1.80 115.31 119.43 1wut h LEU 55 Ca 0.31 -0.45 0.02 0.00 0.84 0.00 0.00 57.88 58.60 1wut h LEU 55 Cb -0.10 -0.18 -0.03 0.00 0.37 0.00 0.00 40.66 40.71 1wut h LEU 55 CO -0.07 0.96 0.28 0.00 -0.34 0.00 0.00 178.44 179.27 1wut h ALA 56 N 0.71 0.60 -0.13 1.25 0.00 -0.62 0.14 119.26 121.22 1wut h ALA 56 Ca 0.05 -0.01 -0.08 0.00 0.00 0.00 0.00 54.91 54.87 1wut h ALA 56 Cb 0.75 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.40 1wut h ALA 56 CO 0.05 -0.03 -0.28 0.45 0.00 0.00 0.00 179.25 179.44 1wut h HIS 57 N 0.56 0.26 -0.31 0.00 3.86 -0.88 -0.07 115.15 118.57 1wut h HIS 57 Ca 0.19 -0.05 -0.13 0.00 -1.16 0.00 0.00 60.37 59.22 1wut h HIS 57 Cb 0.01 -0.07 -0.01 0.00 1.06 0.00 0.00 27.41 28.41 1wut h HIS 57 CO -0.07 0.50 -0.29 1.15 0.86 0.00 0.00 177.93 180.08 1wut h THR 58 N 0.21 1.29 -0.27 2.45 2.02 -0.39 -2.06 112.91 116.17 1wut h THR 58 Ca 0.03 -1.46 -0.18 0.00 0.77 0.00 0.00 66.41 65.57 1wut h THR 58 Cb 0.62 1.52 -0.00 0.00 -1.74 0.00 0.00 68.15 68.54 1wut h THR 58 CO 0.04 0.47 -0.53 0.58 0.37 0.00 0.00 175.52 176.46 1wut h VAL 59 N 0.52 1.29 -0.56 3.16 2.07 -0.53 -3.07 116.25 119.13 1wut h VAL 59 Ca 0.05 -1.73 -0.02 0.00 0.82 0.00 0.00 66.70 65.82 1wut h VAL 59 Cb 0.87 1.64 -0.03 0.00 -1.52 0.00 0.00 31.29 32.25 1wut h VAL 59 CO 0.07 0.56 0.27 -0.09 0.02 0.00 0.00 177.57 178.40 1wut h ARG 60 N 0.61 0.79 -0.67 1.57 2.43 -0.99 -1.98 114.38 116.13 1wut h ARG 60 Ca 0.02 -0.10 0.12 0.00 -0.81 0.00 0.00 59.98 59.21 1wut h ARG 60 Cb 1.12 -0.15 -0.04 0.00 -0.42 0.00 0.00 29.97 30.48 1wut h ARG 60 CO 0.11 0.61 0.45 -0.44 -1.51 0.00 0.00 179.97 179.20 1wut h ASP 61 N 0.79 0.40 0.96 -3.80 3.45 -1.27 -1.65 116.42 115.31 1wut h ASP 61 Ca 0.20 0.01 0.00 0.00 0.43 0.00 0.00 57.03 57.67 1wut h ASP 61 Cb 0.08 -0.07 0.00 0.00 -0.56 0.00 0.00 39.33 38.78 1wut h ASP 61 CO -0.03 0.23 0.00 1.41 -1.57 0.00 0.00 179.24 179.29 1wut n HIS 62 N -4.48 0.86 0.48 4.55 8.25 -0.74 -3.52 115.22 120.62 1wut n HIS 62 Ca 0.12 0.31 0.05 0.00 -0.26 0.00 0.00 57.72 57.94 1wut n HIS 62 Cb 0.42 -1.00 -0.02 0.00 1.12 0.00 0.00 29.99 30.51 1wut n HIS 62 CO 0.00 0.00 0.00 1.47 0.64 0.00 0.00 176.34 178.45 1wut n LEU 63 N -2.26 0.96 -0.13 2.41 -0.00 -0.63 -4.52 117.00 112.84 1wut n LEU 63 Ca 0.03 -0.66 -0.06 0.00 -0.00 0.00 0.00 56.01 55.32 1wut n LEU 63 Cb 0.29 0.00 0.13 0.00 -0.00 0.00 0.00 43.42 43.84 1wut n LEU 63 CO 0.23 0.20 0.85 -0.37 -0.00 0.00 0.00 177.39 178.30 1wut h VAL 64 N 0.73 1.25 -0.84 1.47 -1.51 -1.57 0.30 116.25 116.08 1wut h VAL 64 Ca 0.00 -1.07 0.01 0.00 -1.23 0.00 0.00 66.70 64.41 1wut h VAL 64 Cb 0.32 0.89 -0.04 0.00 -2.13 0.00 0.00 31.29 30.33 1wut h VAL 64 CO 0.00 0.38 0.56 1.23 -1.23 0.00 0.00 177.57 178.51 1wut h GLY 65 N 0.98 1.19 1.54 5.19 0.00 -1.79 -1.30 103.07 108.88 1wut h GLY 65 Ca 0.15 -0.44 -0.22 0.00 0.00 0.00 0.00 47.33 46.81 1wut h GLY 65 CO 0.03 0.43 -0.93 3.21 0.00 0.00 0.00 176.54 179.28 1wut h ARG 66 N 1.14 0.41 -0.08 4.80 3.08 -1.67 -2.99 114.38 119.07 1wut h ARG 66 Ca 0.31 -0.44 0.01 0.00 0.07 0.00 0.00 59.98 59.93 1wut h ARG 66 Cb -0.13 0.12 -0.01 0.00 0.08 0.00 0.00 29.97 30.03 1wut h ARG 66 CO -0.07 1.10 0.01 2.35 -1.07 0.00 0.00 179.97 182.29 1wut h TRP 67 N 0.23 0.01 -0.47 3.04 7.01 -0.08 -0.48 115.95 125.21 1wut h TRP 67 Ca -0.08 0.01 0.01 0.00 2.11 0.00 0.00 58.89 60.94 1wut h TRP 67 Cb 1.56 0.01 -0.03 0.00 -2.10 0.00 0.00 29.16 28.60 1wut h TRP 67 CO 0.06 -0.00 0.29 0.82 -2.79 0.00 0.00 178.44 176.82 1wut h ILE 68 N 0.03 1.08 0.00 2.65 2.04 -1.29 -2.27 117.51 119.75 1wut h ILE 68 Ca 0.03 -0.20 -0.13 0.00 1.00 0.00 0.00 64.86 65.56 1wut h ILE 68 Cb 0.04 0.43 -0.02 0.00 -0.74 0.00 0.00 36.82 36.53 1wut h ILE 68 CO -0.05 0.11 -0.60 0.08 0.00 0.00 0.00 178.15 177.69 1wut h ARG 69 N 0.59 0.00 -0.17 2.37 0.11 -1.37 -1.25 114.38 114.66 1wut h ARG 69 Ca 0.18 0.00 -0.03 0.00 0.10 0.00 0.00 59.98 60.23 1wut h ARG 69 Cb -0.02 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 31.05 1wut h ARG 69 CO -0.07 0.60 -0.02 1.15 0.10 0.00 0.00 179.97 181.73 1wut h THR 70 N 0.00 1.27 -0.59 0.08 2.02 -0.86 0.30 112.91 115.14 1wut h THR 70 Ca -0.01 -0.94 -0.07 0.00 0.77 0.00 0.00 66.41 66.16 1wut h THR 70 Cb 1.16 1.55 -0.02 0.00 -1.74 0.00 0.00 68.15 69.09 1wut h THR 70 CO 0.08 0.28 0.09 1.56 0.37 0.00 0.00 175.52 177.89 1wut h GLN 71 N 0.05 0.98 -0.28 6.66 1.08 -1.37 -1.99 115.11 120.24 1wut h GLN 71 Ca 0.05 -0.27 -0.05 0.00 -1.45 0.00 0.00 58.65 56.93 1wut h GLN 71 Cb 0.44 -0.11 -0.02 0.00 -0.05 0.00 0.00 27.48 27.74 1wut h GLN 71 CO 0.01 0.94 -0.03 -0.56 -0.95 0.00 0.00 178.83 178.24 1wut h GLN 72 N 0.89 0.44 -0.11 1.46 3.07 -1.16 -2.56 115.11 117.13 1wut h GLN 72 Ca 0.18 -0.09 -0.01 0.00 0.09 0.00 0.00 58.65 58.82 1wut h GLN 72 Cb 0.44 -0.06 -0.00 0.00 0.08 0.00 0.00 27.48 27.93 1wut h GLN 72 CO 0.01 0.49 0.03 1.25 0.09 0.00 0.00 178.83 180.70 1wut h HIS 73 N 0.42 0.18 0.00 0.06 2.76 -0.33 -2.11 115.15 116.12 1wut h HIS 73 Ca 0.09 -0.02 -0.03 0.00 -2.20 0.00 0.00 60.37 58.21 1wut h HIS 73 Cb 0.32 -0.05 -0.00 0.00 1.55 0.00 0.00 27.41 29.22 1wut h HIS 73 CO 0.01 0.32 -0.15 1.88 -1.30 0.00 0.00 177.93 178.69 1wut h TYR 74 N -0.01 0.00 -0.22 5.26 0.05 -1.15 -0.80 116.97 120.10 1wut h TYR 74 Ca 0.04 0.00 -0.15 0.00 0.05 0.00 0.00 58.73 58.67 1wut h TYR 74 Cb 0.22 0.00 0.00 0.00 1.01 0.00 0.00 36.73 37.97 1wut h TYR 74 CO -0.00 0.15 -0.43 -0.92 -1.05 0.00 0.00 178.16 175.90 1wut h TYR 75 N 0.00 0.87 0.09 4.88 3.20 -1.14 0.35 116.97 125.22 1wut h TYR 75 Ca -0.00 -0.31 -0.00 0.00 3.14 0.00 0.00 58.73 61.55 1wut h TYR 75 Cb 0.29 -0.16 0.00 0.00 1.54 0.00 0.00 36.73 38.39 1wut h TYR 75 CO 0.00 1.09 -0.04 0.93 -1.64 0.00 0.00 178.16 178.49 1wut h GLU 76 N 0.40 -0.12 0.00 1.82 4.39 -0.80 -3.30 114.58 116.98 1wut h GLU 76 Ca 0.01 0.01 -0.14 0.00 0.34 0.00 0.00 59.36 59.58 1wut h GLU 76 Cb 1.04 0.03 -0.02 0.00 -0.10 0.00 0.00 28.75 29.69 1wut h GLU 76 CO 0.10 0.33 -0.67 0.87 -1.16 0.00 0.00 179.01 178.48 1wut h LYS 77 N -0.62 0.00 -5.84 2.33 1.79 -1.28 -3.49 116.57 109.47 1wut h LYS 77 Ca -0.01 0.00 -0.33 0.00 -2.18 0.00 0.00 60.65 58.13 1wut h LYS 77 Cb 0.50 0.00 0.13 0.00 -1.58 0.00 0.00 32.23 31.29 1wut h LYS 77 CO 0.02 0.67 -0.85 -3.47 -1.08 0.00 0.00 179.45 174.73 1wut n ASP 78 N -3.63 -6.08 -4.43 0.86 2.03 0.11 -5.01 116.55 100.40 1wut n ASP 78 Ca -0.01 -0.82 -0.28 0.00 0.52 0.00 0.00 54.79 54.20 1wut n ASP 78 Cb 0.68 -4.28 0.14 0.00 -0.72 0.00 0.00 41.12 36.94 1wut n ASP 78 CO 0.00 0.00 0.00 -2.16 -1.92 0.00 0.00 177.20 173.12 1wut s PRO 79 N -5.07 1.20 0.19 -0.67 0.04 -1.26 -5.00 135.00 124.43 1wut s PRO 79 Ca 0.43 -0.54 -0.30 0.00 0.04 0.00 0.00 61.00 60.63 1wut s PRO 79 Cb -0.11 -2.02 -0.09 0.00 0.04 0.00 0.00 34.50 32.32 1wut s PRO 79 CO 0.80 -1.95 1.34 0.21 0.04 0.00 0.00 177.00 177.44 1wut s LYS 80 N -5.59 4.36 -0.09 4.56 2.20 -1.26 -4.95 119.74 118.97 1wut s LYS 80 Ca 0.69 2.09 -0.11 0.00 -0.36 0.00 0.00 55.97 58.28 1wut s LYS 80 Cb -0.06 -3.20 -0.05 0.00 -1.51 0.00 0.00 37.83 33.02 1wut s LYS 80 CO 0.49 -0.31 0.26 1.03 -0.36 0.00 0.00 175.35 176.46 1wut s ARG 81 N 0.12 3.77 -0.23 4.03 3.00 0.36 -4.52 118.95 125.48 1wut s ARG 81 Ca 0.59 0.10 -0.07 0.00 0.00 0.00 0.00 55.73 56.35 1wut s ARG 81 Cb -0.37 -3.25 -0.03 0.00 0.00 0.00 0.00 34.95 31.30 1wut s ARG 81 CO 0.37 0.64 0.05 0.42 0.00 0.00 0.00 175.30 176.78 1wut s ILE 82 N -0.75 4.25 -0.26 1.52 -1.09 -0.04 -1.53 121.20 123.29 1wut s ILE 82 Ca 0.18 -0.20 -0.04 0.00 -2.23 0.00 0.00 60.65 58.36 1wut s ILE 82 Cb -0.14 -2.96 0.01 0.00 -1.58 0.00 0.00 42.46 37.80 1wut s ILE 82 CO 0.07 0.38 0.00 -0.31 -1.23 0.00 0.00 174.94 173.85 1wut s TYR 83 N 1.30 3.08 -0.53 3.97 2.02 0.14 -0.94 117.35 126.39 1wut s TYR 83 Ca 0.05 -1.21 -0.16 0.00 -0.37 0.00 0.00 57.07 55.38 1wut s TYR 83 Cb -0.15 -2.15 0.13 0.00 -0.40 0.00 0.00 41.96 39.39 1wut s TYR 83 CO 0.03 -0.63 0.49 -0.47 -1.57 0.00 0.00 175.55 173.39 1wut s TYR 84 N 1.42 3.25 -0.19 2.71 5.04 -0.50 -0.21 117.35 128.88 1wut s TYR 84 Ca 0.02 -1.28 -0.20 0.00 -2.44 0.00 0.00 57.07 53.17 1wut s TYR 84 Cb -0.16 -3.75 -0.03 0.00 0.35 0.00 0.00 41.96 38.37 1wut s TYR 84 CO -0.01 -1.00 0.60 -0.51 -1.34 0.00 0.00 175.55 173.28 1wut s LEU 85 N 1.60 4.16 -0.07 6.97 1.02 -0.72 -1.70 118.68 129.94 1wut s LEU 85 Ca 0.03 0.82 -0.19 0.00 0.02 0.00 0.00 54.13 54.82 1wut s LEU 85 Cb -0.29 -2.85 0.04 0.00 0.02 0.00 0.00 46.19 43.10 1wut s LEU 85 CO 0.03 -0.23 0.43 -0.55 0.02 0.00 0.00 176.35 176.06 1wut s SER 86 N 1.13 -0.38 0.00 2.29 0.15 -1.02 -1.96 113.70 113.92 1wut s SER 86 Ca 0.28 0.48 0.19 0.00 0.70 0.00 0.00 55.95 57.60 1wut s SER 86 Cb -0.16 0.55 0.65 0.00 -1.71 0.00 0.00 66.02 65.35 1wut s SER 86 CO 0.11 -0.39 1.49 0.18 1.20 0.00 0.00 173.24 175.82 1wut n LEU 87 N 1.68 1.82 -3.80 3.45 4.32 -1.26 -4.22 117.00 118.99 1wut n LEU 87 Ca -0.18 -0.79 -0.13 0.00 -0.02 0.00 0.00 56.01 54.88 1wut n LEU 87 Cb 0.56 -0.14 -0.14 0.00 -1.62 0.00 0.00 43.42 42.09 1wut n LEU 87 CO 0.19 0.40 -0.25 -1.61 -1.22 0.00 0.00 177.39 174.90 1wut s GLU 88 N -1.72 0.09 -0.34 3.23 2.02 -1.26 -4.76 118.70 115.96 1wut s GLU 88 Ca 0.31 0.24 0.00 0.00 0.02 0.00 0.00 54.97 55.54 1wut s GLU 88 Cb 0.17 -0.06 0.14 0.00 0.10 0.00 0.00 34.13 34.47 1wut s GLU 88 CO 0.25 -0.09 0.26 -0.06 0.02 0.00 0.00 175.26 175.64 1wut s PHE 89 N 0.58 0.23 -1.26 1.61 0.40 -0.37 -4.59 117.98 114.58 1wut s PHE 89 Ca -0.04 -1.14 -0.17 0.00 -0.60 0.00 0.00 56.93 54.98 1wut s PHE 89 Cb -0.06 -0.70 0.09 0.00 0.51 0.00 0.00 43.02 42.86 1wut s PHE 89 CO -0.03 -0.88 1.65 -0.47 0.70 0.00 0.00 175.22 176.19 1wut s TYR 90 N 1.44 2.93 0.11 0.36 6.14 0.08 -3.79 117.35 124.62 1wut s TYR 90 Ca 0.16 -1.70 -0.03 0.00 0.64 0.00 0.00 57.07 56.13 1wut s TYR 90 Cb -0.19 -4.65 -0.17 0.00 0.42 0.00 0.00 41.96 37.37 1wut s TYR 90 CO -0.08 -1.72 1.24 0.52 0.64 0.00 0.00 175.55 176.14 1wut h MET 91 N 7.60 0.31 0.00 4.97 2.86 -1.80 -3.41 114.93 125.45 1wut h MET 91 Ca 0.41 -0.41 0.00 0.00 -2.06 0.00 0.00 59.70 57.63 1wut h MET 91 Cb 0.88 0.14 0.00 0.00 0.06 0.00 0.00 31.60 32.68 1wut h MET 91 CO 1.41 1.14 0.00 0.41 1.06 0.00 0.00 176.91 180.92 1wut n GLY 92 N 1.22 -0.99 3.79 8.32 0.00 -0.96 -4.82 105.19 111.76 1wut n GLY 92 Ca -0.07 -1.20 -0.32 0.00 0.00 0.00 0.00 46.02 44.42 1wut n GLY 92 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1wut s ARG 93 N 0.00 3.10 0.00 1.61 0.52 -1.26 -2.30 118.95 120.62 1wut s ARG 93 Ca 0.00 1.22 0.00 0.00 -0.52 0.00 0.00 55.73 56.43 1wut s ARG 93 Cb 0.00 -2.00 0.00 0.00 0.52 0.00 0.00 34.95 33.47 1wut s ARG 93 CO 0.00 -0.99 0.24 0.25 0.02 0.00 0.00 175.30 174.82 1wut n THR 94 N -2.32 0.00 0.44 0.02 -2.24 -1.26 -4.73 114.28 104.19 1wut n THR 94 Ca 0.09 -0.44 -0.18 0.00 -2.27 0.00 0.00 64.05 61.24 1wut n THR 94 Cb 0.53 1.06 -0.09 0.00 -2.10 0.00 0.00 70.33 69.73 1wut n THR 94 CO 0.00 0.00 0.00 0.25 -0.57 0.00 0.00 175.07 174.75 1wut h LEU 95 N 0.00 -0.96 -0.58 3.22 5.85 -1.96 -2.73 115.31 118.14 1wut h LEU 95 Ca 0.00 0.03 0.00 0.00 0.84 0.00 0.00 57.88 58.75 1wut h LEU 95 Cb 0.03 0.25 -0.03 0.00 0.37 0.00 0.00 40.66 41.28 1wut h LEU 95 CO 0.00 -0.62 0.38 -0.61 -0.34 0.00 0.00 178.44 177.25 1wut h GLN 96 N -1.25 0.77 -0.58 1.25 4.15 -1.97 -2.24 115.11 115.24 1wut h GLN 96 Ca -0.12 -0.05 0.05 0.00 0.77 0.00 0.00 58.65 59.30 1wut h GLN 96 Cb 0.87 -0.17 -0.03 0.00 0.21 0.00 0.00 27.48 28.36 1wut h GLN 96 CO 0.19 0.52 0.38 -0.97 -1.93 0.00 0.00 178.83 177.02 1wut h ASN 97 N 0.79 0.53 -0.17 -0.69 -0.73 -1.85 0.71 115.58 114.17 1wut h ASN 97 Ca 0.21 -0.00 -0.19 0.00 1.87 0.00 0.00 56.30 58.19 1wut h ASN 97 Cb -0.08 -0.12 0.00 0.00 0.27 0.00 0.00 38.32 38.39 1wut h ASN 97 CO -0.05 0.36 -0.61 0.74 -0.37 0.00 0.00 177.43 177.50 1wut h THR 98 N 0.61 1.29 -0.36 -3.57 2.02 -1.13 -1.99 112.91 109.78 1wut h THR 98 Ca 0.24 -1.82 -0.02 0.00 0.77 0.00 0.00 66.41 65.58 1wut h THR 98 Cb 0.18 1.76 -0.02 0.00 -1.74 0.00 0.00 68.15 68.34 1wut h THR 98 CO -0.07 0.58 0.16 0.24 0.37 0.00 0.00 175.52 176.80 1wut h MET 99 N 0.58 0.54 0.23 6.66 2.86 -0.72 -1.92 114.93 123.15 1wut h MET 99 Ca -0.01 -0.09 -0.01 0.00 -2.06 0.00 0.00 59.70 57.54 1wut h MET 99 Cb 1.22 -0.09 -0.00 0.00 0.06 0.00 0.00 31.60 32.78 1wut h MET 99 CO 0.13 0.51 -0.13 0.28 1.06 0.00 0.00 176.91 178.75 1wut h VAL 100 N 0.44 0.72 0.00 -2.22 2.07 -0.84 0.31 116.25 116.73 1wut h VAL 100 Ca 0.12 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.64 1wut h VAL 100 Cb 0.17 0.72 0.00 0.00 -1.52 0.00 0.00 31.29 30.65 1wut h VAL 100 CO -0.01 0.00 0.00 0.59 0.02 0.00 0.00 177.57 178.17 1wut n ASN 101 N -5.25 0.62 -0.52 0.57 4.13 -0.75 -1.94 115.26 112.12 1wut n ASN 101 Ca -0.09 0.68 0.07 0.00 1.68 0.00 0.00 54.58 56.92 1wut n ASN 101 Cb 0.17 -0.80 0.04 0.00 -1.54 0.00 0.00 39.78 37.66 1wut n ASN 101 CO 0.00 0.00 0.00 0.18 0.28 0.00 0.00 177.26 177.72 1wut n LEU 102 N -2.21 2.03 -3.50 3.41 4.32 -0.73 -0.60 117.00 119.73 1wut n LEU 102 Ca 0.01 -0.94 -0.23 0.00 -0.02 0.00 0.00 56.01 54.84 1wut n LEU 102 Cb 0.19 0.00 0.08 0.00 -1.62 0.00 0.00 43.42 42.07 1wut n LEU 102 CO 0.18 0.37 0.24 0.00 -1.22 0.00 0.00 177.39 176.96 1wut n ALA 103 N 0.56 -1.28 0.52 -1.18 0.00 0.27 -4.91 120.51 114.49 1wut n ALA 103 Ca 0.08 0.39 0.08 0.00 0.00 0.00 0.00 53.44 53.99 1wut n ALA 103 Cb 0.35 -5.34 -0.10 0.00 0.00 0.00 0.00 19.45 14.36 1wut n ALA 103 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1wut n LEU 104 N -4.86 0.53 -0.28 0.00 4.32 0.82 -4.42 117.00 113.11 1wut n LEU 104 Ca 0.00 -0.35 0.10 0.00 -0.02 0.00 0.00 56.01 55.75 1wut n LEU 104 Cb 0.56 0.00 0.25 0.00 -1.62 0.00 0.00 43.42 42.61 1wut n LEU 104 CO 0.63 0.13 0.93 -0.08 -1.22 0.00 0.00 177.39 177.78 1wut h GLU 105 N 0.00 0.22 -0.02 3.23 4.81 -1.56 -0.25 114.58 121.01 1wut h GLU 105 Ca 0.00 -0.01 -0.12 0.00 -0.13 0.00 0.00 59.36 59.10 1wut h GLU 105 Cb 0.49 -0.05 0.01 0.00 0.63 0.00 0.00 28.75 29.83 1wut h GLU 105 CO 0.00 0.14 -0.44 -0.91 -0.73 0.00 0.00 179.01 177.07 1wut h ASN 106 N 0.22 0.43 -0.74 1.04 2.35 -1.56 -1.42 115.58 115.90 1wut h ASN 106 Ca 0.50 -0.73 0.05 0.00 -0.55 0.00 0.00 56.30 55.58 1wut h ASN 106 Cb 0.97 -0.13 -0.05 0.00 0.05 0.00 0.00 38.32 39.15 1wut h ASN 106 CO -0.62 1.10 0.45 0.00 -1.65 0.00 0.00 177.43 176.71 1wut h ALA 107 N 0.34 1.00 -0.44 -0.83 0.00 -1.57 0.27 119.26 118.04 1wut h ALA 107 Ca -0.05 -0.00 -0.13 0.00 0.00 0.00 0.00 54.91 54.73 1wut h ALA 107 Cb 1.15 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.74 1wut h ALA 107 CO 0.09 0.17 -0.24 0.00 0.00 0.00 0.00 179.25 179.27 1wut h ASP 109 N 0.78 0.26 0.12 0.00 1.82 -0.51 -1.57 116.42 117.32 1wut h ASP 109 Ca 0.10 -0.15 -0.01 0.00 -0.39 0.00 0.00 57.03 56.59 1wut h ASP 109 Cb 0.79 -0.07 0.00 0.00 0.68 0.00 0.00 39.33 40.74 1wut h ASP 109 CO 0.07 0.34 -0.06 -0.08 -1.61 0.00 0.00 179.24 177.90 1wut h GLU 110 N 0.17 -0.15 -0.47 0.28 4.57 -0.37 -1.99 114.58 116.61 1wut h GLU 110 Ca 0.07 0.01 0.05 0.00 -1.18 0.00 0.00 59.36 58.30 1wut h GLU 110 Cb 0.15 0.04 -0.04 0.00 -0.16 0.00 0.00 28.75 28.73 1wut h GLU 110 CO -0.01 -0.00 0.22 0.00 -1.18 0.00 0.00 179.01 178.04 1wut h ALA 111 N 0.59 0.59 0.00 2.92 0.00 -0.97 -0.76 119.26 121.64 1wut h ALA 111 Ca -0.02 0.03 -0.08 0.00 0.00 0.00 0.00 54.91 54.85 1wut h ALA 111 Cb 0.23 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 17.97 1wut h ALA 111 CO 0.03 -0.14 -0.37 1.79 0.00 0.00 0.00 179.25 180.56 1wut h THR 112 N 0.44 1.15 -0.09 0.00 1.35 -1.28 -1.54 112.91 112.94 1wut h THR 112 Ca 0.21 -1.30 -0.01 0.00 -0.55 0.00 0.00 66.41 64.76 1wut h THR 112 Cb 0.15 1.72 -0.00 0.00 -1.73 0.00 0.00 68.15 68.29 1wut h THR 112 CO -0.17 0.36 0.02 0.22 -0.25 0.00 0.00 175.52 175.70 1wut h TYR 113 N 0.00 0.15 -0.04 4.73 3.20 -0.52 0.64 116.97 125.13 1wut h TYR 113 Ca -0.00 -0.02 -0.04 0.00 3.14 0.00 0.00 58.73 61.81 1wut h TYR 113 Cb 0.70 -0.04 -0.01 0.00 1.54 0.00 0.00 36.73 38.92 1wut h TYR 113 CO 0.00 0.32 -0.14 1.96 -1.64 0.00 0.00 178.16 178.66 1wut h GLN 114 N -0.07 0.06 0.00 1.82 4.20 -0.84 0.26 115.11 120.54 1wut h GLN 114 Ca 0.03 -0.01 0.00 0.00 0.06 0.00 0.00 58.65 58.73 1wut h GLN 114 Cb 0.25 -0.01 0.00 0.00 0.30 0.00 0.00 27.48 28.02 1wut h GLN 114 CO 0.00 0.20 0.00 1.28 -0.67 0.00 0.00 178.83 179.64 1wut n LEU 115 N -4.34 0.00 -0.37 1.46 4.32 -0.61 -4.88 117.00 112.59 1wut n LEU 115 Ca -0.02 0.00 -0.04 0.00 -0.02 0.00 0.00 56.01 55.93 1wut n LEU 115 Cb 0.23 0.00 -0.01 0.00 -1.62 0.00 0.00 43.42 42.02 1wut n LEU 115 CO 0.36 0.00 -0.04 0.61 -1.22 0.00 0.00 177.39 177.10 1wut n GLY 116 N 0.91 0.35 3.39 -0.72 0.00 0.91 -5.05 105.19 104.98 1wut n GLY 116 Ca 0.21 -0.79 -0.24 0.00 0.00 0.00 0.00 46.02 45.20 1wut n GLY 116 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1wut s LEU 117 N -0.96 2.46 -0.44 0.99 1.43 0.22 -4.99 118.68 117.39 1wut s LEU 117 Ca 0.00 -0.89 -0.16 0.00 -1.03 0.00 0.00 54.13 52.05 1wut s LEU 117 Cb 0.00 -1.02 0.04 0.00 0.03 0.00 0.00 46.19 45.24 1wut s LEU 117 CO 0.00 0.05 0.37 -0.62 0.23 0.00 0.00 176.35 176.37 1wut s ASP 118 N -2.79 6.14 0.26 2.29 3.68 -1.26 -3.43 116.67 121.56 1wut s ASP 118 Ca 0.20 -1.02 -0.01 0.00 2.13 0.00 0.00 52.55 53.85 1wut s ASP 118 Cb -0.07 -2.18 0.49 0.00 -1.45 0.00 0.00 42.92 39.71 1wut s ASP 118 CO 0.09 -0.56 1.81 -0.03 0.13 0.00 0.00 175.17 176.61 1wut h MET 119 N 8.71 0.80 -0.52 4.34 1.85 -1.90 -1.41 114.93 126.80 1wut h MET 119 Ca -0.27 -0.05 -0.01 0.00 -0.61 0.00 0.00 59.70 58.75 1wut h MET 119 Cb 1.11 -0.18 -0.03 0.00 0.43 0.00 0.00 31.60 32.94 1wut h MET 119 CO 0.80 0.53 0.27 0.93 -0.40 0.00 0.00 176.91 179.04 1wut h GLU 120 N 0.83 0.71 -0.35 0.39 5.08 -2.00 -0.96 114.58 118.29 1wut h GLU 120 Ca 0.45 -0.08 -0.12 0.00 -1.00 0.00 0.00 59.36 58.62 1wut h GLU 120 Cb 0.48 -0.14 -0.01 0.00 0.50 0.00 0.00 28.75 29.58 1wut h GLU 120 CO -0.28 0.54 -0.27 1.49 -1.00 0.00 0.00 179.01 179.49 1wut h GLU 121 N 0.72 0.71 -0.14 2.33 4.81 -1.69 -3.00 114.58 118.31 1wut h GLU 121 Ca 0.18 -0.30 -0.18 0.00 -0.13 0.00 0.00 59.36 58.93 1wut h GLU 121 Cb 0.05 -0.03 -0.00 0.00 0.63 0.00 0.00 28.75 29.40 1wut h GLU 121 CO -0.03 0.90 -0.65 -0.07 -0.73 0.00 0.00 179.01 178.43 1wut h LEU 122 N 0.61 0.63 -1.08 1.64 4.07 -1.06 -3.18 115.31 116.94 1wut h LEU 122 Ca 0.08 -0.37 0.03 0.00 0.08 0.00 0.00 57.88 57.70 1wut h LEU 122 Cb 0.77 -0.18 -0.05 0.00 1.08 0.00 0.00 40.66 42.27 1wut h LEU 122 CO 0.06 1.11 0.62 -0.33 -1.08 0.00 0.00 178.44 178.83 1wut h GLU 123 N 0.39 1.16 0.00 1.13 5.08 -1.07 -1.46 114.58 119.82 1wut h GLU 123 Ca -0.02 -0.07 0.00 0.00 -1.00 0.00 0.00 59.36 58.27 1wut h GLU 123 Cb 1.22 -0.26 0.00 0.00 0.50 0.00 0.00 28.75 30.21 1wut h GLU 123 CO 0.12 0.77 0.00 0.39 -1.00 0.00 0.00 179.01 179.29 1wut n GLU 124 N -4.44 0.11 0.15 2.33 -0.58 -1.15 -2.22 120.64 114.84 1wut n GLU 124 Ca 0.12 0.49 0.05 0.00 -0.42 0.00 0.00 57.16 57.40 1wut n GLU 124 Cb 0.09 -1.78 0.05 0.00 -0.57 0.00 0.00 31.44 29.23 1wut n GLU 124 CO 0.00 0.00 0.00 0.82 -0.48 0.00 0.00 177.13 177.47 1wut h ILE 125 N 0.00 0.61 -3.35 -3.67 2.04 -1.37 -3.46 117.51 108.30 1wut h ILE 125 Ca 0.00 -1.88 -0.52 0.00 1.00 0.00 0.00 64.86 63.46 1wut h ILE 125 Cb 0.15 2.26 0.05 0.00 -0.74 0.00 0.00 36.82 38.54 1wut h ILE 125 CO 0.00 0.35 0.72 -0.70 0.00 0.00 0.00 178.15 178.51 1wut s GLU 126 N -3.03 4.32 0.27 2.37 2.12 -0.94 -4.99 118.70 118.81 1wut s GLU 126 Ca 0.04 2.19 -0.24 0.00 0.36 0.00 0.00 54.97 57.32 1wut s GLU 126 Cb 0.07 -3.15 -0.09 0.00 0.26 0.00 0.00 34.13 31.22 1wut s GLU 126 CO 0.74 -0.35 0.86 -2.00 -0.54 0.00 0.00 175.26 173.96 1wut s GLU 127 N -0.18 4.51 0.30 4.30 2.56 -1.26 -4.93 118.70 124.00 1wut s GLU 127 Ca 0.59 1.18 -0.29 0.00 0.00 0.00 0.00 54.97 56.45 1wut s GLU 127 Cb -0.39 -2.92 -0.10 0.00 2.00 0.00 0.00 34.13 32.72 1wut s GLU 127 CO 0.40 0.37 1.19 -0.51 -0.56 0.00 0.00 175.26 176.15 1wut s ASP 128 N -1.53 7.05 -1.01 -1.70 -0.00 -1.26 -4.55 116.67 113.67 1wut s ASP 128 Ca 0.45 2.46 -0.17 0.00 -0.00 0.00 0.00 52.55 55.29 1wut s ASP 128 Cb -0.19 -2.64 0.15 0.00 -0.00 0.00 0.00 42.92 40.24 1wut s ASP 128 CO 0.24 -0.32 1.19 0.00 -0.00 0.00 0.00 175.17 176.29 1wut s ALA 129 N -1.15 3.63 -0.86 5.23 0.00 -0.97 -4.88 121.76 122.75 1wut s ALA 129 Ca 0.46 -3.00 -0.05 0.00 0.00 0.00 0.00 51.96 49.38 1wut s ALA 129 Cb -0.35 -4.03 0.07 0.00 0.00 0.00 0.00 23.12 18.80 1wut s ALA 129 CO 0.46 -2.86 2.65 0.41 0.00 0.00 0.00 175.76 176.42 1wut n GLY 130 N 4.94 4.67 1.93 0.00 0.00 -1.26 -2.27 105.19 113.20 1wut n GLY 130 Ca 0.27 -1.91 -0.14 0.00 0.00 0.00 0.00 46.02 44.23 1wut n GLY 130 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1wut n LEU 131 N 1.43 6.10 -3.75 0.99 4.77 -1.25 -0.79 117.00 124.51 1wut n LEU 131 Ca 0.56 -3.24 -0.09 0.00 -0.03 0.00 0.00 56.01 53.21 1wut n LEU 131 Cb 0.42 -1.14 -0.03 0.00 -2.33 0.00 0.00 43.42 40.33 1wut n LEU 131 CO 0.50 1.32 0.31 -0.83 -1.33 0.00 0.00 177.39 177.36 1wut s GLY 132 N 0.79 -0.09 -0.23 -0.72 0.00 -1.26 -1.23 107.32 104.58 1wut s GLY 132 Ca 0.33 -0.22 -0.05 0.00 0.00 0.00 0.00 44.72 44.78 1wut s GLY 132 CO -0.04 -0.23 -0.10 0.70 0.00 0.00 0.00 173.10 173.44 1wut n ASN 133 N -0.37 2.00 0.00 1.64 3.02 -1.26 -4.51 115.26 115.79 1wut n ASN 133 Ca -0.09 0.07 0.00 0.00 -0.03 0.00 0.00 54.58 54.53 1wut n ASN 133 Cb 0.62 -0.63 0.00 0.00 -0.61 0.00 0.00 39.78 39.16 1wut n ASN 133 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1wut n GLY 134 N 1.95 0.64 0.18 7.41 0.00 -1.26 -4.93 105.19 109.18 1wut n GLY 134 Ca -0.44 0.47 -0.04 0.00 0.00 0.00 0.00 46.02 46.02 1wut n GLY 134 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1wut h GLY 135 N 0.00 0.48 0.99 -0.02 0.00 -1.99 -1.73 103.07 100.80 1wut h GLY 135 Ca 0.00 0.02 -0.00 0.00 0.00 0.00 0.00 47.33 47.35 1wut h GLY 135 CO 0.00 -0.09 0.30 -2.00 0.00 0.00 0.00 176.54 174.75 1wut h LEU 136 N 0.16 0.60 -0.42 3.11 6.46 -1.99 -1.37 115.31 121.86 1wut h LEU 136 Ca 0.22 -0.06 -0.17 0.00 -0.12 0.00 0.00 57.88 57.74 1wut h LEU 136 Cb 0.30 -0.15 -0.02 0.00 -0.73 0.00 0.00 40.66 40.06 1wut h LEU 136 CO -0.32 0.48 -0.79 1.23 -0.62 0.00 0.00 178.44 178.42 1wut h GLY 137 N 0.67 0.14 1.75 3.75 0.00 -1.77 -3.06 103.07 104.54 1wut h GLY 137 Ca 0.18 -0.22 -0.15 0.00 0.00 0.00 0.00 47.33 47.13 1wut h GLY 137 CO -0.03 0.20 -0.64 -0.09 0.00 0.00 0.00 176.54 175.98 1wut h ARG 138 N 0.08 0.25 -0.27 4.80 1.12 -1.17 0.30 114.38 119.49 1wut h ARG 138 Ca -0.02 -0.18 -0.00 0.00 -1.11 0.00 0.00 59.98 58.66 1wut h ARG 138 Cb 1.37 0.03 -0.01 0.00 -0.01 0.00 0.00 29.97 31.35 1wut h ARG 138 CO 0.11 0.81 0.16 1.25 -3.11 0.00 0.00 179.97 179.19 1wut h LEU 139 N 0.18 0.32 -1.16 3.80 5.85 -1.21 -0.62 115.31 122.46 1wut h LEU 139 Ca -0.01 -0.04 0.10 0.00 0.84 0.00 0.00 57.88 58.77 1wut h LEU 139 Cb 1.16 -0.08 -0.07 0.00 0.37 0.00 0.00 40.66 42.04 1wut h LEU 139 CO 0.10 0.27 0.59 0.00 -0.34 0.00 0.00 178.44 179.06 1wut h ALA 140 N 1.06 1.61 -0.23 1.25 0.00 -1.47 0.18 119.26 121.66 1wut h ALA 140 Ca 0.10 -0.00 -0.17 0.00 0.00 0.00 0.00 54.91 54.83 1wut h ALA 140 Cb 0.01 -0.21 -0.00 0.00 0.00 0.00 0.00 17.79 17.58 1wut h ALA 140 CO -0.02 0.19 -0.55 0.00 0.00 0.00 0.00 179.25 178.88 1wut h ALA 141 N 1.55 0.60 -0.30 0.00 0.00 -1.19 -1.89 119.26 118.02 1wut h ALA 141 Ca 0.43 -0.51 -0.15 0.00 0.00 0.00 0.00 54.91 54.68 1wut h ALA 141 Cb 0.42 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.12 1wut h ALA 141 CO -0.19 0.69 -0.41 0.00 0.00 0.00 0.00 179.25 179.34 1wut h PHE 143 N 0.60 0.97 -0.63 0.00 -1.00 -0.59 -1.88 116.94 114.41 1wut h PHE 143 Ca 0.05 -0.09 0.01 0.00 2.81 0.00 0.00 57.97 60.75 1wut h PHE 143 Cb 0.96 -0.28 -0.03 0.00 3.61 0.00 0.00 35.95 40.20 1wut h PHE 143 CO 0.05 0.79 0.41 -0.07 -1.61 0.00 0.00 178.31 177.88 1wut h LEU 144 N 0.87 0.69 -0.47 1.54 4.07 -1.28 0.15 115.31 120.88 1wut h LEU 144 Ca 0.20 -0.01 -0.01 0.00 0.08 0.00 0.00 57.88 58.14 1wut h LEU 144 Cb 0.26 -0.16 -0.02 0.00 1.08 0.00 0.00 40.66 41.82 1wut h LEU 144 CO -0.01 0.49 0.26 -0.78 -1.08 0.00 0.00 178.44 177.32 1wut h ASP 145 N 0.82 0.59 -0.40 -0.43 3.58 -1.34 -2.50 116.42 116.74 1wut h ASP 145 Ca 0.24 -0.09 -0.14 0.00 0.42 0.00 0.00 57.03 57.46 1wut h ASP 145 Cb -0.05 -0.15 -0.01 0.00 1.72 0.00 0.00 39.33 40.84 1wut h ASP 145 CO -0.07 0.51 -0.29 0.28 -2.88 0.00 0.00 179.24 176.79 1wut h SER 146 N 0.62 0.97 -0.40 2.28 0.02 -0.83 -1.58 113.55 114.63 1wut h SER 146 Ca 0.16 -0.40 -0.03 0.00 -0.84 0.00 0.00 61.79 60.68 1wut h SER 146 Cb 0.05 -0.27 -0.02 0.00 0.14 0.00 0.00 62.40 62.30 1wut h SER 146 CO -0.03 1.18 0.15 0.24 -1.14 0.00 0.00 176.83 177.24 1wut h MET 147 N 0.79 0.66 -0.12 3.45 2.86 -0.61 0.22 114.93 122.18 1wut h MET 147 Ca 0.09 -0.10 -0.11 0.00 -2.06 0.00 0.00 59.70 57.51 1wut h MET 147 Cb 0.87 -0.12 0.00 0.00 0.06 0.00 0.00 31.60 32.41 1wut h MET 147 CO 0.08 0.57 -0.35 0.00 1.06 0.00 0.00 176.91 178.27 1wut h ALA 148 N 1.51 0.21 0.00 6.32 0.00 -1.31 -0.35 119.26 125.65 1wut h ALA 148 Ca 0.15 -0.44 -0.03 0.00 0.00 0.00 0.00 54.91 54.59 1wut h ALA 148 Cb 0.18 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 17.94 1wut h ALA 148 CO -0.01 0.28 -0.16 1.15 0.00 0.00 0.00 179.25 180.50 1wut h THR 149 N 0.05 0.90 -0.55 0.00 2.02 -1.00 -1.64 112.91 112.70 1wut h THR 149 Ca -0.01 -0.61 0.00 0.00 0.77 0.00 0.00 66.41 66.56 1wut h THR 149 Cb 0.97 1.35 0.00 0.00 -1.74 0.00 0.00 68.15 68.73 1wut h THR 149 CO 0.08 0.16 0.00 0.18 0.37 0.00 0.00 175.52 176.31 1wut n LEU 150 N -4.03 3.82 -3.71 2.58 4.77 0.04 -4.72 117.00 115.76 1wut n LEU 150 Ca -0.02 -1.93 -0.24 0.00 -0.03 0.00 0.00 56.01 53.79 1wut n LEU 150 Cb 0.25 -0.50 0.05 0.00 -2.33 0.00 0.00 43.42 40.88 1wut n LEU 150 CO 0.34 0.70 0.06 0.61 -1.33 0.00 0.00 177.39 177.77 1wut n GLY 151 N 1.08 -0.40 3.90 -0.72 0.00 -0.62 -0.98 105.19 107.45 1wut n GLY 151 Ca 0.21 0.16 -0.35 0.00 0.00 0.00 0.00 46.02 46.05 1wut n GLY 151 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1wut s LEU 152 N -6.92 4.38 -1.34 0.99 1.43 -0.16 -4.64 118.68 112.42 1wut s LEU 152 Ca 0.29 0.39 -0.17 0.00 -1.03 0.00 0.00 54.13 53.62 1wut s LEU 152 Cb -0.14 -2.44 0.07 0.00 0.03 0.00 0.00 46.19 43.70 1wut s LEU 152 CO 0.79 0.31 1.87 0.00 0.23 0.00 0.00 176.35 179.55 1wut n ALA 153 N 1.28 4.15 -2.48 4.21 0.00 -1.26 -4.69 120.51 121.73 1wut n ALA 153 Ca -0.14 -3.88 -0.31 0.00 0.00 0.00 0.00 53.44 49.12 1wut n ALA 153 Cb 0.53 -3.56 -0.12 0.00 0.00 0.00 0.00 19.45 16.30 1wut n ALA 153 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1wut s ALA 154 N 3.79 2.66 -0.04 0.00 0.00 -1.26 -0.86 121.76 126.05 1wut s ALA 154 Ca 0.51 -1.19 0.03 0.00 0.00 0.00 0.00 51.96 51.31 1wut s ALA 154 Cb 0.07 -0.77 0.00 0.00 0.00 0.00 0.00 23.12 22.41 1wut s ALA 154 CO 0.03 0.58 -0.13 0.71 0.00 0.00 0.00 175.76 176.95 1wut s TYR 155 N -0.96 1.31 -0.15 0.00 2.02 -0.12 -4.09 117.35 115.36 1wut s TYR 155 Ca 0.15 -0.37 -0.15 0.00 -0.37 0.00 0.00 57.07 56.34 1wut s TYR 155 Cb -0.11 -0.91 -0.05 0.00 -0.40 0.00 0.00 41.96 40.50 1wut s TYR 155 CO 0.06 -0.14 0.34 0.20 -1.57 0.00 0.00 175.55 174.44 1wut s GLY 156 N 0.18 2.25 -0.11 0.71 0.00 -0.84 -1.41 107.32 108.10 1wut s GLY 156 Ca -0.04 -0.39 0.03 0.00 0.00 0.00 0.00 44.72 44.32 1wut s GLY 156 CO 0.01 0.53 -0.21 -0.19 0.00 0.00 0.00 173.10 173.24 1wut s TYR 157 N 0.53 2.40 0.00 1.90 2.02 -0.69 -0.06 117.35 123.46 1wut s TYR 157 Ca 0.19 -1.05 0.00 0.00 -0.37 0.00 0.00 57.07 55.84 1wut s TYR 157 Cb -0.13 -1.63 0.00 0.00 -0.40 0.00 0.00 41.96 39.79 1wut s TYR 157 CO 0.05 -0.45 0.00 0.41 -1.57 0.00 0.00 175.55 173.99 1wut n GLY 158 N 3.74 3.14 3.55 0.71 0.00 -0.84 -2.42 105.19 113.08 1wut n GLY 158 Ca -0.20 -0.78 -0.34 0.00 0.00 0.00 0.00 46.02 44.71 1wut n GLY 158 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1wut s ILE 159 N -2.82 3.57 -0.94 -0.61 1.01 -1.26 -1.13 121.20 119.02 1wut s ILE 159 Ca 0.00 -0.53 -0.15 0.00 0.00 0.00 0.00 60.65 59.97 1wut s ILE 159 Cb 0.00 -2.45 0.18 0.00 0.01 0.00 0.00 42.46 40.20 1wut s ILE 159 CO 0.00 0.59 1.03 -0.60 0.00 0.00 0.00 174.94 175.96 1wut s ARG 160 N -0.73 3.72 0.30 2.79 3.52 0.20 -4.72 118.95 124.02 1wut s ARG 160 Ca 0.11 -2.26 -0.29 0.00 -0.13 0.00 0.00 55.73 53.16 1wut s ARG 160 Cb -0.11 -4.72 -0.10 0.00 -1.56 0.00 0.00 34.95 28.47 1wut s ARG 160 CO 0.01 -1.54 1.12 0.71 -0.81 0.00 0.00 175.30 174.79 1wut s TYR 161 N 1.22 3.48 -0.69 5.12 2.02 -1.26 -4.74 117.35 122.51 1wut s TYR 161 Ca 0.28 1.66 0.25 0.00 -0.37 0.00 0.00 57.07 58.89 1wut s TYR 161 Cb -0.07 -3.32 0.56 0.00 -0.40 0.00 0.00 41.96 38.74 1wut s TYR 161 CO -0.08 -0.71 1.53 -0.85 -1.57 0.00 0.00 175.55 173.87 1wut n GLU 162 N 1.00 0.28 -3.90 -0.62 0.28 -1.04 -4.61 120.64 112.03 1wut n GLU 162 Ca -0.00 0.15 -0.28 0.00 -0.16 0.00 0.00 57.16 56.86 1wut n GLU 162 Cb 0.45 -1.74 -0.17 0.00 1.43 0.00 0.00 31.44 31.41 1wut n GLU 162 CO 0.00 0.00 0.00 -0.06 -0.16 0.00 0.00 177.13 176.91 1wut s PHE 163 N -3.13 1.64 0.00 -1.84 0.40 -0.58 -4.16 117.98 110.32 1wut s PHE 163 Ca 0.08 -0.97 0.00 0.00 -0.60 0.00 0.00 56.93 55.44 1wut s PHE 163 Cb 0.13 -1.30 0.00 0.00 0.51 0.00 0.00 43.02 42.36 1wut s PHE 163 CO 0.66 -0.58 0.00 0.41 0.70 0.00 0.00 175.22 176.41 1wut n GLY 164 N 4.89 1.18 3.73 4.36 0.00 -1.21 -2.22 105.19 115.93 1wut n GLY 164 Ca -0.12 -1.70 -0.42 0.00 0.00 0.00 0.00 46.02 43.78 1wut n GLY 164 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 1wut s ILE 165 N 1.27 2.33 0.71 -0.61 1.10 0.03 -4.55 121.20 121.48 1wut s ILE 165 Ca 0.00 0.25 -0.16 0.00 -0.51 0.00 0.00 60.65 60.23 1wut s ILE 165 Cb 0.00 -3.16 -0.03 0.00 0.15 0.00 0.00 42.46 39.42 1wut s ILE 165 CO 0.00 0.03 0.68 2.22 -2.11 0.00 0.00 174.94 175.76 1wut n PHE 166 N 3.26 -0.27 -3.01 3.50 1.16 -1.26 -4.63 117.46 116.22 1wut n PHE 166 Ca 0.12 0.37 -0.40 0.00 -1.87 0.00 0.00 57.45 55.67 1wut n PHE 166 Cb 0.38 -1.98 -0.05 0.00 -1.61 0.00 0.00 39.48 36.22 1wut n PHE 166 CO 0.00 0.00 0.00 -0.80 -1.87 0.00 0.00 176.76 174.09 1wut s ASN 167 N -1.50 6.93 -0.08 5.98 0.01 -0.45 -4.90 114.94 120.93 1wut s ASN 167 Ca 0.69 1.13 -0.20 0.00 -0.71 0.00 0.00 52.86 53.76 1wut s ASN 167 Cb -0.36 -2.41 -0.04 0.00 0.41 0.00 0.00 41.25 38.85 1wut s ASN 167 CO 0.55 -0.23 0.55 -1.58 -1.51 0.00 0.00 177.10 174.88 1wut s GLN 168 N 1.39 4.35 0.02 -0.60 0.74 -1.26 -2.08 119.66 122.21 1wut s GLN 168 Ca 0.36 0.60 0.07 0.00 0.05 0.00 0.00 55.36 56.45 1wut s GLN 168 Cb -0.17 -3.41 -0.02 0.00 1.10 0.00 0.00 33.01 30.50 1wut s GLN 168 CO 0.15 0.19 -0.21 0.15 -0.55 0.00 0.00 175.29 175.02 1wut s LYS 169 N 0.47 1.54 -0.33 1.67 1.02 0.29 -3.81 119.74 120.59 1wut s LYS 169 Ca 0.30 -0.88 -0.07 0.00 0.02 0.00 0.00 55.97 55.34 1wut s LYS 169 Cb -0.16 -1.59 0.03 0.00 -0.52 0.00 0.00 37.83 35.58 1wut s LYS 169 CO 0.13 0.42 0.10 0.42 -0.92 0.00 0.00 175.35 175.50 1wut s ILE 170 N -0.68 3.84 -0.23 2.17 -1.09 -1.25 0.25 121.20 124.20 1wut s ILE 170 Ca 0.08 -1.00 -0.02 0.00 -2.23 0.00 0.00 60.65 57.48 1wut s ILE 170 Cb -0.09 -3.11 0.01 0.00 -1.58 0.00 0.00 42.46 37.69 1wut s ILE 170 CO 0.01 -0.10 -0.07 0.00 -1.23 0.00 0.00 174.94 173.55 1wut n GLY 172 N 4.71 -0.51 2.60 0.00 0.00 -1.26 -0.90 105.19 109.83 1wut n GLY 172 Ca -0.17 0.09 0.00 0.00 0.00 0.00 0.00 46.02 45.94 1wut n GLY 172 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1wut n GLY 173 N -1.33 1.42 3.82 -0.02 0.00 -1.26 -5.03 105.19 102.79 1wut n GLY 173 Ca -0.14 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.58 1wut n GLY 173 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1wut s TRP 174 N -3.48 3.30 0.06 1.61 0.52 -0.07 -3.84 118.94 117.03 1wut s TRP 174 Ca 0.00 0.13 -0.30 0.00 0.02 0.00 0.00 56.10 55.95 1wut s TRP 174 Cb 0.00 -1.67 -0.04 0.00 -1.15 0.00 0.00 33.47 30.61 1wut s TRP 174 CO 0.00 0.54 0.97 -1.14 0.02 0.00 0.00 176.95 177.34 1wut s GLN 175 N -2.43 4.63 -0.08 4.98 0.74 -1.26 0.11 119.66 126.36 1wut s GLN 175 Ca 0.31 1.44 0.04 0.00 0.05 0.00 0.00 55.36 57.20 1wut s GLN 175 Cb -0.12 -3.42 -0.01 0.00 1.10 0.00 0.00 33.01 30.55 1wut s GLN 175 CO 0.24 0.08 -0.20 -1.64 -0.55 0.00 0.00 175.29 173.23 1wut s MET 176 N 0.50 2.77 -0.06 1.67 -1.94 0.70 -4.88 119.30 118.06 1wut s MET 176 Ca 0.49 -0.80 -0.04 0.00 -1.71 0.00 0.00 55.69 53.63 1wut s MET 176 Cb -0.22 -2.33 -0.04 0.00 2.01 0.00 0.00 34.83 34.25 1wut s MET 176 CO 0.29 0.39 0.16 -1.21 -0.01 0.00 0.00 175.02 174.63 1wut s GLU 177 N -0.14 3.41 -0.07 2.03 8.01 -1.26 -0.55 118.70 130.13 1wut s GLU 177 Ca -0.03 -0.25 -0.07 0.00 0.01 0.00 0.00 54.97 54.63 1wut s GLU 177 Cb -0.14 -3.12 0.02 0.00 -4.31 0.00 0.00 34.13 26.59 1wut s GLU 177 CO 0.04 0.72 0.20 -1.83 0.01 0.00 0.00 175.26 174.40 1wut s GLU 178 N -1.54 0.26 0.09 1.61 -1.05 -0.89 -4.98 118.70 112.20 1wut s GLU 178 Ca 0.22 0.24 -0.36 0.00 -0.15 0.00 0.00 54.97 54.91 1wut s GLU 178 Cb -0.12 0.12 -0.16 0.00 -0.44 0.00 0.00 34.13 33.52 1wut s GLU 178 CO 0.12 -0.03 1.36 0.00 0.95 0.00 0.00 175.26 177.66 1wut n ALA 179 N 2.87 -0.77 -3.09 -0.84 0.00 -1.26 -1.34 120.51 116.08 1wut n ALA 179 Ca -0.13 0.51 -0.45 0.00 0.00 0.00 0.00 53.44 53.37 1wut n ALA 179 Cb 0.58 -2.10 -0.01 0.00 0.00 0.00 0.00 19.45 17.92 1wut n ALA 179 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 1wut s ASP 180 N 0.52 6.94 -1.44 0.00 3.68 -1.26 -4.75 116.67 120.36 1wut s ASP 180 Ca 0.84 -2.79 -0.10 0.00 2.13 0.00 0.00 52.55 52.63 1wut s ASP 180 Cb -0.93 -2.33 0.05 0.00 -1.45 0.00 0.00 42.92 38.26 1wut s ASP 180 CO 0.46 -0.71 2.39 -0.67 0.13 0.00 0.00 175.17 176.77 1wut n ASP 181 N 5.02 6.45 0.11 -0.34 -0.08 -1.26 -3.31 116.55 123.13 1wut n ASP 181 Ca 0.26 -2.89 0.10 0.00 -1.51 0.00 0.00 54.79 50.75 1wut n ASP 181 Cb 0.45 -1.52 0.45 0.00 2.34 0.00 0.00 41.12 42.83 1wut n ASP 181 CO 0.00 0.00 0.00 -2.67 0.12 0.00 0.00 177.20 174.65 1wut n TRP 182 N 3.92 0.60 1.07 -0.67 4.27 -1.26 -2.01 117.44 123.35 1wut n TRP 182 Ca 0.59 0.26 0.12 0.00 -3.89 0.00 0.00 57.50 54.58 1wut n TRP 182 Cb 0.31 -0.92 0.10 0.00 -1.36 0.00 0.00 31.31 29.44 1wut n TRP 182 CO 0.00 0.00 0.00 1.28 -2.29 0.00 0.00 177.69 176.68 1wut n LEU 183 N -2.07 1.76 -0.24 5.67 4.77 -1.26 -4.66 117.00 120.98 1wut n LEU 183 Ca 0.01 -0.62 -0.06 0.00 -0.03 0.00 0.00 56.01 55.31 1wut n LEU 183 Cb 0.14 -0.03 -0.05 0.00 -2.33 0.00 0.00 43.42 41.15 1wut n LEU 183 CO 0.14 0.33 0.27 -1.14 -1.33 0.00 0.00 177.39 175.66 1wut n ARG 184 N -0.19 -0.24 0.00 3.23 0.63 -0.85 -0.50 116.66 118.73 1wut n ARG 184 Ca 0.10 0.85 0.13 0.00 -0.92 0.00 0.00 57.85 58.02 1wut n ARG 184 Cb 0.44 -1.25 0.39 0.00 0.45 0.00 0.00 32.46 32.49 1wut n ARG 184 CO 0.00 0.00 0.00 0.66 -2.51 0.00 0.00 177.63 175.78 1wut n TYR 185 N -4.71 0.00 0.00 -0.14 4.02 -1.26 -5.06 117.16 110.01 1wut n TYR 185 Ca 0.01 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.90 1wut n TYR 185 Cb 0.15 -0.00 0.00 0.00 -0.02 0.00 0.00 39.34 39.47 1wut n TYR 185 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1wut n GLY 186 N 1.23 2.55 3.08 2.72 0.00 0.34 -5.00 105.19 110.11 1wut n GLY 186 Ca 0.17 -1.79 -0.34 0.00 0.00 0.00 0.00 46.02 44.06 1wut n GLY 186 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1wut s ASN 187 N 0.00 4.95 0.11 1.61 3.84 -1.26 -4.90 114.94 119.29 1wut s ASN 187 Ca 0.00 -1.93 0.17 0.00 0.21 0.00 0.00 52.86 51.31 1wut s ASN 187 Cb 0.00 -1.71 0.74 0.00 -0.55 0.00 0.00 41.25 39.72 1wut s ASN 187 CO 0.00 -0.41 1.53 -0.81 -2.79 0.00 0.00 177.10 174.62 1wut n PRO 188 N 4.45 0.08 0.00 0.43 -0.04 -1.26 -3.41 135.00 135.25 1wut n PRO 188 Ca -0.02 0.35 -0.04 0.00 -0.04 0.00 0.00 63.50 63.74 1wut n PRO 188 Cb 0.42 -1.66 -0.11 0.00 -0.04 0.00 0.00 33.50 32.11 1wut n PRO 188 CO 0.00 0.00 0.00 0.91 -0.04 0.00 0.00 175.50 176.37 1wut n TRP 189 N -1.81 0.98 -2.49 0.54 7.02 -1.26 -4.95 117.44 115.47 1wut n TRP 189 Ca 0.02 0.34 -0.29 0.00 -1.02 0.00 0.00 57.50 56.55 1wut n TRP 189 Cb 0.17 -1.14 -0.01 0.00 -2.42 0.00 0.00 31.31 27.92 1wut n TRP 189 CO 0.00 0.00 0.00 -1.83 -2.02 0.00 0.00 177.69 173.84 1wut s GLU 190 N -2.75 3.64 -0.20 -0.99 -1.05 -1.22 -4.33 118.70 111.79 1wut s GLU 190 Ca -0.04 0.45 -0.03 0.00 -0.15 0.00 0.00 54.97 55.20 1wut s GLU 190 Cb 0.08 -2.29 0.06 0.00 -0.44 0.00 0.00 34.13 31.55 1wut s GLU 190 CO 0.82 -0.26 0.05 0.21 0.95 0.00 0.00 175.26 177.03 1wut s LYS 191 N -4.59 0.54 0.44 -4.83 2.47 -0.14 -4.95 119.74 108.69 1wut s LYS 191 Ca 0.51 -0.42 -0.26 0.00 -1.56 0.00 0.00 55.97 54.24 1wut s LYS 191 Cb -0.10 -2.02 -0.09 0.00 -1.46 0.00 0.00 37.83 34.16 1wut s LYS 191 CO 0.43 -0.69 1.44 0.00 0.16 0.00 0.00 175.35 176.69 1wut n ALA 192 N 5.08 2.09 -3.63 3.13 0.00 -1.26 -1.51 120.51 124.40 1wut n ALA 192 Ca -0.08 0.26 -0.28 0.00 0.00 0.00 0.00 53.44 53.34 1wut n ALA 192 Cb 0.47 -2.40 -0.11 0.00 0.00 0.00 0.00 19.45 17.41 1wut n ALA 192 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 1wut s ARG 193 N -2.41 1.53 0.00 0.00 0.52 -0.07 -4.90 118.95 113.63 1wut s ARG 193 Ca 0.60 -2.54 0.00 0.00 -0.52 0.00 0.00 55.73 53.27 1wut s ARG 193 Cb -0.45 -2.30 0.00 0.00 0.52 0.00 0.00 34.95 32.72 1wut s ARG 193 CO 0.58 -1.31 0.38 -0.35 0.02 0.00 0.00 175.30 174.62 1wut n PRO 194 N 2.65 0.74 -0.02 3.54 -0.04 -1.26 -3.06 135.00 137.55 1wut n PRO 194 Ca 0.23 0.00 -0.00 0.00 -0.04 0.00 0.00 63.50 63.68 1wut n PRO 194 Cb 0.41 -1.36 -0.05 0.00 -0.04 0.00 0.00 33.50 32.45 1wut n PRO 194 CO 0.00 0.00 0.00 -0.85 -0.04 0.00 0.00 175.50 174.61 1wut n GLU 195 N 0.14 1.73 -0.77 0.54 0.28 -1.26 -4.35 120.64 116.95 1wut n GLU 195 Ca 0.00 -0.03 0.08 0.00 -0.16 0.00 0.00 57.16 57.05 1wut n GLU 195 Cb 0.19 -1.17 0.38 0.00 1.43 0.00 0.00 31.44 32.27 1wut n GLU 195 CO 0.00 0.00 0.00 1.19 -0.16 0.00 0.00 177.13 178.16 1wut n PHE 196 N -2.03 1.80 -1.70 -1.84 0.99 -1.17 -5.00 117.46 108.52 1wut n PHE 196 Ca -0.07 -0.69 -0.41 0.00 -0.00 0.00 0.00 57.45 56.28 1wut n PHE 196 Cb 0.49 -0.40 0.01 0.00 -1.00 0.00 0.00 39.48 38.58 1wut n PHE 196 CO 0.00 0.00 0.00 2.41 -0.00 0.00 0.00 176.76 179.17 1wut n THR 197 N 0.78 2.55 -4.13 4.37 -1.04 -1.26 -4.75 114.28 110.80 1wut n THR 197 Ca 0.27 -0.50 -0.16 0.00 -2.04 0.00 0.00 64.05 61.62 1wut n THR 197 Cb 1.07 -1.55 -0.12 0.00 -1.82 0.00 0.00 70.33 67.91 1wut n THR 197 CO 0.00 0.00 0.00 -0.76 -0.64 0.00 0.00 175.07 173.67 1wut s LEU 198 N -1.63 2.29 -0.01 -4.42 1.02 -0.13 -4.94 118.68 110.86 1wut s LEU 198 Ca 0.61 -0.62 -0.14 0.00 0.02 0.00 0.00 54.13 54.00 1wut s LEU 198 Cb -0.51 -0.35 -0.06 0.00 0.02 0.00 0.00 46.19 45.29 1wut s LEU 198 CO 0.58 -0.15 0.39 -2.16 0.02 0.00 0.00 176.35 175.03 1wut s PRO 199 N -1.84 3.90 -0.03 1.29 0.04 -1.26 0.10 135.00 137.20 1wut s PRO 199 Ca -0.04 0.38 0.06 0.00 0.04 0.00 0.00 61.00 61.43 1wut s PRO 199 Cb -0.09 -3.22 -0.01 0.00 0.04 0.00 0.00 34.50 31.22 1wut s PRO 199 CO 0.01 0.68 -0.20 0.08 0.04 0.00 0.00 177.00 177.61 1wut s VAL 200 N -1.03 1.62 0.05 -0.36 1.01 0.14 -4.91 120.40 116.92 1wut s VAL 200 Ca 0.23 -0.85 0.02 0.00 0.00 0.00 0.00 61.98 61.38 1wut s VAL 200 Cb -0.16 -1.37 -0.04 0.00 0.00 0.00 0.00 36.38 34.81 1wut s VAL 200 CO 0.13 0.46 0.09 -1.00 0.00 0.00 0.00 175.10 174.78 1wut s HIS 201 N -0.26 3.25 0.03 5.22 3.76 -1.26 -1.23 115.29 124.80 1wut s HIS 201 Ca 0.02 0.14 -0.00 0.00 -0.15 0.00 0.00 55.06 55.06 1wut s HIS 201 Cb -0.10 -1.67 -0.03 0.00 1.11 0.00 0.00 32.58 31.89 1wut s HIS 201 CO 0.01 0.54 -0.03 -0.06 -0.85 0.00 0.00 174.74 174.34 1wut s PHE 202 N -1.33 0.37 0.00 1.40 0.40 -0.59 -4.96 117.98 113.27 1wut s PHE 202 Ca 0.27 -0.72 0.00 0.00 -0.60 0.00 0.00 56.93 55.88 1wut s PHE 202 Cb -0.12 -0.27 0.00 0.00 0.51 0.00 0.00 43.02 43.14 1wut s PHE 202 CO 0.19 -0.25 0.00 0.66 0.70 0.00 0.00 175.22 176.52 1wut n TYR 203 N 1.06 0.00 -4.43 0.36 4.01 0.12 -0.82 117.16 117.47 1wut n TYR 203 Ca -0.20 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.54 1wut n TYR 203 Cb 0.57 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.60 1wut n TYR 203 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1wut n GLY 204 N 0.00 -0.37 3.69 2.72 0.00 -1.20 -4.53 105.19 105.50 1wut n GLY 204 Ca 0.00 -1.08 -0.08 0.00 0.00 0.00 0.00 46.02 44.86 1wut n GLY 204 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1wut s ARG 205 N 0.00 1.63 -0.21 1.61 1.70 0.89 -4.88 118.95 119.69 1wut s ARG 205 Ca 0.00 -1.09 -0.05 0.00 -0.47 0.00 0.00 55.73 54.12 1wut s ARG 205 Cb 0.00 0.54 -0.02 0.00 -0.57 0.00 0.00 34.95 34.89 1wut s ARG 205 CO 0.00 -0.71 0.01 0.08 -1.08 0.00 0.00 175.30 173.60 1wut s VAL 206 N -3.96 3.95 -0.23 4.99 1.01 -1.26 0.07 120.40 124.97 1wut s VAL 206 Ca 0.16 -0.31 -0.09 0.00 0.00 0.00 0.00 61.98 61.74 1wut s VAL 206 Cb -0.03 -2.81 -0.04 0.00 0.00 0.00 0.00 36.38 33.50 1wut s VAL 206 CO 0.07 0.41 0.12 -1.61 0.00 0.00 0.00 175.10 174.08 1wut s GLU 207 N 1.21 3.96 -0.57 2.72 2.02 0.04 -4.91 118.70 123.16 1wut s GLU 207 Ca 0.03 -0.33 -0.18 0.00 0.02 0.00 0.00 54.97 54.52 1wut s GLU 207 Cb -0.15 -3.43 0.12 0.00 0.10 0.00 0.00 34.13 30.77 1wut s GLU 207 CO 0.01 0.04 0.61 -1.01 0.02 0.00 0.00 175.26 174.94 1wut s HIS 208 N 1.06 3.11 0.00 1.61 3.76 -1.26 0.13 115.29 123.70 1wut s HIS 208 Ca 0.06 -1.11 0.00 0.00 -0.15 0.00 0.00 55.06 53.86 1wut s HIS 208 Cb -0.14 -3.92 0.00 0.00 1.11 0.00 0.00 32.58 29.63 1wut s HIS 208 CO 0.04 -1.17 0.00 0.25 -0.85 0.00 0.00 174.74 173.01 1wut n THR 209 N 5.41 0.00 -0.29 1.30 -2.24 -0.04 -4.97 114.28 113.45 1wut n THR 209 Ca -0.12 0.00 -0.02 0.00 -2.27 0.00 0.00 64.05 61.65 1wut n THR 209 Cb 0.41 -1.15 0.10 0.00 -2.10 0.00 0.00 70.33 67.60 1wut n THR 209 CO 0.00 0.00 0.00 0.28 -0.57 0.00 0.00 175.07 174.78 1wut h SER 210 N 0.00 0.83 -1.94 3.42 0.02 -2.01 -3.20 113.55 110.67 1wut h SER 210 Ca 0.00 0.00 -0.55 0.00 -0.84 0.00 0.00 61.79 60.40 1wut h SER 210 Cb 0.00 -0.18 -0.41 0.00 0.14 0.00 0.00 62.40 61.95 1wut h SER 210 CO 0.00 0.56 -0.80 1.67 -1.14 0.00 0.00 176.83 177.12 1wut n GLN 211 N -4.61 2.73 0.00 3.45 -0.06 -1.26 -5.08 117.38 112.56 1wut n GLN 211 Ca 0.10 -4.39 0.00 0.00 -2.00 0.00 0.00 57.00 50.71 1wut n GLN 211 Cb 0.10 -2.07 0.00 0.00 -4.06 0.00 0.00 30.24 24.22 1wut n GLN 211 CO 0.00 0.00 0.00 0.41 -0.20 0.00 0.00 177.06 177.27 1wut n GLY 212 N -0.20 2.62 3.87 1.69 0.00 -1.21 -5.06 105.19 106.89 1wut n GLY 212 Ca 0.30 -2.06 -0.31 0.00 0.00 0.00 0.00 46.02 43.95 1wut n GLY 212 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1wut s ALA 213 N -2.39 3.31 -0.04 4.61 0.00 -1.26 -0.86 121.76 125.13 1wut s ALA 213 Ca 0.00 -0.13 0.01 0.00 0.00 0.00 0.00 51.96 51.84 1wut s ALA 213 Cb 0.00 -2.76 0.02 0.00 0.00 0.00 0.00 23.12 20.37 1wut s ALA 213 CO 0.00 -0.00 -0.06 0.15 0.00 0.00 0.00 175.76 175.85 1wut s LYS 214 N -3.79 0.87 -0.35 0.00 1.02 0.12 -4.90 119.74 112.71 1wut s LYS 214 Ca 0.52 -0.16 -0.21 0.00 0.02 0.00 0.00 55.97 56.14 1wut s LYS 214 Cb -0.10 -0.84 0.00 0.00 -0.52 0.00 0.00 37.83 36.37 1wut s LYS 214 CO 0.30 -0.03 0.67 -0.46 -0.92 0.00 0.00 175.35 174.91 1wut s TRP 215 N 0.70 3.15 0.29 3.18 -0.00 -1.26 -0.78 118.94 124.23 1wut s TRP 215 Ca -0.10 0.42 0.09 0.00 -0.00 0.00 0.00 56.10 56.51 1wut s TRP 215 Cb -0.13 -3.18 -0.06 0.00 -0.00 0.00 0.00 33.47 30.10 1wut s TRP 215 CO 0.01 -0.63 -0.11 0.54 -0.00 0.00 0.00 176.95 176.75 1wut s VAL 216 N 2.78 2.01 -1.44 5.86 0.11 0.11 -4.82 120.40 125.02 1wut s VAL 216 Ca 0.26 -2.21 -0.07 0.00 -2.93 0.00 0.00 61.98 57.03 1wut s VAL 216 Cb -0.14 -2.44 0.04 0.00 -1.53 0.00 0.00 36.38 32.31 1wut s VAL 216 CO 0.15 -0.32 0.76 0.47 -3.33 0.00 0.00 175.10 172.82 1wut n ASP 217 N -0.64 -2.47 -4.92 3.54 8.00 -1.26 -0.07 116.55 118.73 1wut n ASP 217 Ca -0.06 -0.86 -0.27 0.00 0.71 0.00 0.00 54.79 54.32 1wut n ASP 217 Cb 0.62 -3.70 -0.02 0.00 -0.02 0.00 0.00 41.12 38.01 1wut n ASP 217 CO 0.00 0.00 0.00 0.42 -0.39 0.00 0.00 177.20 177.23 1wut s THR 218 N -3.56 5.01 -0.08 -3.53 -4.23 -1.26 -3.22 115.64 104.76 1wut s THR 218 Ca 0.30 -0.05 -0.16 0.00 -1.18 0.00 0.00 61.69 60.60 1wut s THR 218 Cb -0.15 -3.81 -0.05 0.00 1.34 0.00 0.00 72.50 69.83 1wut s THR 218 CO 0.84 -0.55 0.42 -1.58 -0.54 0.00 0.00 174.62 173.21 1wut s GLN 219 N -4.13 4.16 -0.15 3.99 0.74 -0.00 -4.88 119.66 119.39 1wut s GLN 219 Ca 0.44 0.37 -0.05 0.00 0.05 0.00 0.00 55.36 56.17 1wut s GLN 219 Cb -0.10 -3.35 -0.04 0.00 1.10 0.00 0.00 33.01 30.62 1wut s GLN 219 CO 0.36 0.38 0.04 0.08 -0.55 0.00 0.00 175.29 175.60 1wut s VAL 220 N -0.07 4.58 -0.02 1.34 1.01 -1.26 -1.55 120.40 124.43 1wut s VAL 220 Ca 0.23 -0.12 0.06 0.00 0.00 0.00 0.00 61.98 62.15 1wut s VAL 220 Cb -0.15 -3.02 -0.01 0.00 0.00 0.00 0.00 36.38 33.20 1wut s VAL 220 CO 0.10 0.52 -0.19 -0.69 0.00 0.00 0.00 175.10 174.84 1wut s VAL 221 N -0.09 1.49 0.14 2.92 1.01 -0.37 -4.41 120.40 121.10 1wut s VAL 221 Ca 0.06 -0.80 -0.06 0.00 0.00 0.00 0.00 61.98 61.17 1wut s VAL 221 Cb -0.12 -1.24 -0.06 0.00 0.00 0.00 0.00 36.38 34.95 1wut s VAL 221 CO 0.01 0.42 0.40 -0.76 0.00 0.00 0.00 175.10 175.17 1wut s LEU 222 N -0.38 4.27 -0.26 3.92 1.43 0.63 0.25 118.68 128.53 1wut s LEU 222 Ca 0.06 0.65 -0.00 0.00 -1.03 0.00 0.00 54.13 53.81 1wut s LEU 222 Cb -0.08 -3.29 0.04 0.00 0.03 0.00 0.00 46.19 42.89 1wut s LEU 222 CO -0.00 0.06 -0.07 0.00 0.23 0.00 0.00 176.35 176.56 1wut s ALA 223 N -1.63 2.66 -0.23 4.21 0.00 0.29 -0.79 121.76 126.27 1wut s ALA 223 Ca 0.40 -1.57 -0.09 0.00 0.00 0.00 0.00 51.96 50.70 1wut s ALA 223 Cb -0.12 -1.67 -0.04 0.00 0.00 0.00 0.00 23.12 21.29 1wut s ALA 223 CO 0.23 -0.95 0.11 1.41 0.00 0.00 0.00 175.76 176.55 1wut s MET 224 N 1.25 3.92 0.18 0.00 1.75 0.58 -0.95 119.30 126.02 1wut s MET 224 Ca -0.03 -0.36 -0.19 0.00 -1.25 0.00 0.00 55.69 53.87 1wut s MET 224 Cb -0.18 -3.39 -0.08 0.00 2.84 0.00 0.00 34.83 34.03 1wut s MET 224 CO -0.05 0.04 0.66 -1.25 -0.65 0.00 0.00 175.02 173.77 1wut s PRO 225 N 1.05 4.20 -0.09 4.11 0.04 -1.26 -0.11 135.00 142.94 1wut s PRO 225 Ca 0.05 0.77 0.02 0.00 0.04 0.00 0.00 61.00 61.88 1wut s PRO 225 Cb -0.14 -2.98 0.02 0.00 0.04 0.00 0.00 34.50 31.44 1wut s PRO 225 CO 0.04 0.47 -0.13 0.71 0.04 0.00 0.00 177.00 178.12 1wut s TYR 226 N -1.42 1.70 -0.18 0.56 1.51 0.04 -0.89 117.35 118.67 1wut s TYR 226 Ca 0.39 -0.74 -0.08 0.00 -1.01 0.00 0.00 57.07 55.62 1wut s TYR 226 Cb -0.17 -1.26 -0.04 0.00 -0.11 0.00 0.00 41.96 40.38 1wut s TYR 226 CO 0.21 -0.40 0.10 -0.51 -1.11 0.00 0.00 175.55 173.84 1wut s ASP 227 N 0.96 5.98 -0.08 2.29 -0.00 -0.57 -1.01 116.67 124.24 1wut s ASP 227 Ca -0.08 0.20 0.04 0.00 -0.00 0.00 0.00 52.55 52.71 1wut s ASP 227 Cb -0.15 -2.02 -0.01 0.00 -0.00 0.00 0.00 42.92 40.74 1wut s ASP 227 CO -0.00 0.21 -0.20 -0.89 -0.00 0.00 0.00 175.17 174.28 1wut s THR 228 N 0.16 2.46 0.29 -1.27 2.01 -0.17 -0.97 115.64 118.15 1wut s THR 228 Ca 0.07 -0.91 -0.29 0.00 0.31 0.00 0.00 61.69 60.87 1wut s THR 228 Cb -0.12 -1.95 -0.10 0.00 0.01 0.00 0.00 72.50 70.35 1wut s THR 228 CO -0.00 0.56 1.14 -2.16 -0.69 0.00 0.00 174.62 173.46 1wut s PRO 229 N -0.08 4.59 -0.49 4.92 0.04 -1.26 -1.08 135.00 141.64 1wut s PRO 229 Ca -0.05 1.88 0.03 0.00 0.04 0.00 0.00 61.00 62.90 1wut s PRO 229 Cb -0.14 -3.17 0.13 0.00 0.04 0.00 0.00 34.50 31.36 1wut s PRO 229 CO 0.04 0.14 0.26 0.08 0.04 0.00 0.00 177.00 177.56 1wut s VAL 230 N -1.14 2.05 0.17 -0.36 1.01 0.12 -4.89 120.40 117.36 1wut s VAL 230 Ca 0.45 -3.00 -0.30 0.00 0.00 0.00 0.00 61.98 59.13 1wut s VAL 230 Cb -0.33 -2.43 -0.08 0.00 0.00 0.00 0.00 36.38 33.54 1wut s VAL 230 CO 0.43 -0.85 1.17 -2.16 0.00 0.00 0.00 175.10 173.69 1wut s PRO 231 N -0.04 4.51 0.78 2.72 0.04 -1.26 -0.49 135.00 141.26 1wut s PRO 231 Ca 0.18 1.82 -0.12 0.00 0.04 0.00 0.00 61.00 62.92 1wut s PRO 231 Cb -0.24 -3.26 0.06 0.00 0.04 0.00 0.00 34.50 31.09 1wut s PRO 231 CO -0.00 -0.06 1.11 0.20 0.04 0.00 0.00 177.00 178.28 1wut s GLY 232 N 0.16 1.62 -0.60 0.56 0.00 0.17 -4.79 107.32 104.44 1wut s GLY 232 Ca 0.53 -0.33 -0.28 0.00 0.00 0.00 0.00 44.72 44.64 1wut s GLY 232 CO 0.35 0.10 1.38 -0.47 0.00 0.00 0.00 173.10 174.47 1wut s TYR 233 N -3.28 2.29 -1.41 1.90 6.14 -1.26 -4.15 117.35 117.58 1wut s TYR 233 Ca 0.60 0.38 -0.11 0.00 0.64 0.00 0.00 57.07 58.58 1wut s TYR 233 Cb -0.13 -4.44 0.08 0.00 0.42 0.00 0.00 41.96 37.89 1wut s TYR 233 CO 0.53 -1.96 0.63 0.54 0.64 0.00 0.00 175.55 175.93 1wut n ARG 234 N 8.81 -3.91 0.00 4.97 3.00 0.24 -4.84 116.66 124.93 1wut n ARG 234 Ca 0.10 0.52 0.00 0.00 -0.01 0.00 0.00 57.85 58.47 1wut n ARG 234 Cb 0.49 -5.28 0.00 0.00 0.00 0.00 0.00 32.46 27.67 1wut n ARG 234 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.63 177.90 1wut n ASN 235 N -2.46 1.09 -1.31 0.55 2.04 -1.26 -4.95 115.26 108.96 1wut n ASN 235 Ca 0.00 -1.40 -0.14 0.00 -0.44 0.00 0.00 54.58 52.60 1wut n ASN 235 Cb 0.54 0.00 -0.04 0.00 -2.53 0.00 0.00 39.78 37.75 1wut n ASN 235 CO 0.00 0.00 0.00 0.59 -0.44 0.00 0.00 177.26 177.41 1wut n ASN 236 N -0.20 -4.57 -4.64 0.53 3.02 -1.26 0.38 115.26 108.52 1wut n ASN 236 Ca 0.00 0.21 -0.35 0.00 -0.03 0.00 0.00 54.58 54.41 1wut n ASN 236 Cb 0.22 -3.49 -0.10 0.00 -0.61 0.00 0.00 39.78 35.80 1wut n ASN 236 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 1wut s VAL 237 N -2.60 4.61 -0.21 2.41 1.01 -1.26 -4.61 120.40 119.75 1wut s VAL 237 Ca 0.00 -0.11 -0.02 0.00 0.00 0.00 0.00 61.98 61.85 1wut s VAL 237 Cb 0.00 -3.04 0.06 0.00 0.00 0.00 0.00 36.38 33.40 1wut s VAL 237 CO 0.00 0.50 0.03 -0.69 0.00 0.00 0.00 175.10 174.94 1wut s VAL 238 N 0.08 0.66 0.74 2.92 1.01 -1.26 0.41 120.40 124.97 1wut s VAL 238 Ca 0.04 -0.69 0.00 0.00 0.00 0.00 0.00 61.98 61.33 1wut s VAL 238 Cb -0.12 -1.16 0.15 0.00 0.00 0.00 0.00 36.38 35.24 1wut s VAL 238 CO 0.01 -0.22 1.02 0.20 0.00 0.00 0.00 175.10 176.11 1wut s ASN 239 N 1.79 4.21 -0.02 3.32 0.01 0.35 -4.66 114.94 119.94 1wut s ASN 239 Ca -0.01 -0.52 0.07 0.00 -0.71 0.00 0.00 52.86 51.69 1wut s ASN 239 Cb -0.17 0.24 -0.02 0.00 0.41 0.00 0.00 41.25 41.71 1wut s ASN 239 CO -0.09 -1.98 -0.22 -0.89 -1.51 0.00 0.00 177.10 172.41 1wut s THR 240 N -3.17 1.77 -0.27 1.60 2.01 -1.26 0.13 115.64 116.45 1wut s THR 240 Ca 0.68 -0.97 -0.03 0.00 0.31 0.00 0.00 61.69 61.69 1wut s THR 240 Cb -0.04 -1.47 0.03 0.00 0.01 0.00 0.00 72.50 71.02 1wut s THR 240 CO 0.45 0.50 -0.02 -0.32 -0.69 0.00 0.00 174.62 174.54 1wut s MET 241 N -0.54 2.79 -0.29 4.92 1.75 -0.24 -1.98 119.30 125.71 1wut s MET 241 Ca 0.09 -1.02 -0.10 0.00 -1.25 0.00 0.00 55.69 53.40 1wut s MET 241 Cb -0.09 -3.10 -0.03 0.00 2.84 0.00 0.00 34.83 34.45 1wut s MET 241 CO -0.01 -0.46 0.16 0.50 -0.65 0.00 0.00 175.02 174.56 1wut s ARG 242 N 1.34 3.67 -0.15 4.11 3.52 0.92 -1.00 118.95 131.37 1wut s ARG 242 Ca -0.01 -0.49 -0.01 0.00 -0.13 0.00 0.00 55.73 55.08 1wut s ARG 242 Cb -0.17 -3.57 -0.02 0.00 -1.56 0.00 0.00 34.95 29.63 1wut s ARG 242 CO -0.02 -0.27 -0.10 -0.51 -0.81 0.00 0.00 175.30 173.59 1wut s LEU 243 N 1.68 2.87 0.06 -0.88 1.02 -0.18 -1.98 118.68 121.26 1wut s LEU 243 Ca 0.06 -0.29 -0.20 0.00 0.02 0.00 0.00 54.13 53.72 1wut s LEU 243 Cb -0.16 -1.67 -0.06 0.00 0.02 0.00 0.00 46.19 44.32 1wut s LEU 243 CO 0.08 0.14 0.60 0.26 0.02 0.00 0.00 176.35 177.45 1wut s TRP 244 N 0.50 3.78 -0.03 0.29 0.52 -0.28 -0.78 118.94 122.94 1wut s TRP 244 Ca -0.07 1.29 0.06 0.00 0.02 0.00 0.00 56.10 57.40 1wut s TRP 244 Cb -0.15 -2.56 -0.02 0.00 -1.15 0.00 0.00 33.47 29.58 1wut s TRP 244 CO 0.04 0.51 -0.21 0.45 0.02 0.00 0.00 176.95 177.76 1wut s SER 245 N -0.82 3.50 -0.01 2.95 0.15 0.84 -0.63 113.70 119.69 1wut s SER 245 Ca 0.30 -0.35 -0.23 0.00 0.70 0.00 0.00 55.95 56.38 1wut s SER 245 Cb -0.19 -0.59 -0.05 0.00 -1.71 0.00 0.00 66.02 63.48 1wut s SER 245 CO 0.19 0.33 0.70 0.00 1.20 0.00 0.00 173.24 175.66 1wut s ALA 246 N -0.65 3.39 -0.02 5.45 0.00 -1.26 -0.31 121.76 128.36 1wut s ALA 246 Ca 0.10 0.17 0.02 0.00 0.00 0.00 0.00 51.96 52.25 1wut s ALA 246 Cb -0.10 -2.92 0.00 0.00 0.00 0.00 0.00 23.12 20.10 1wut s ALA 246 CO -0.00 0.03 -0.06 0.15 0.00 0.00 0.00 175.76 175.88 1wut s LYS 247 N 0.22 0.66 0.22 0.00 -0.14 0.03 -4.67 119.74 116.06 1wut s LYS 247 Ca 0.36 -0.20 -0.26 0.00 -1.36 0.00 0.00 55.97 54.51 1wut s LYS 247 Cb -0.19 -0.65 -0.09 0.00 -1.68 0.00 0.00 37.83 35.22 1wut s LYS 247 CO 0.20 0.07 0.84 0.00 -0.76 0.00 0.00 175.35 175.70 1wut s ALA 248 N 0.21 3.38 0.68 5.17 0.00 -1.26 -0.27 121.76 129.67 1wut s ALA 248 Ca -0.03 0.44 -0.14 0.00 0.00 0.00 0.00 51.96 52.23 1wut s ALA 248 Cb -0.07 -3.05 0.01 0.00 0.00 0.00 0.00 23.12 20.01 1wut s ALA 248 CO -0.00 0.26 1.10 -1.25 0.00 0.00 0.00 175.76 175.87 1wut s PRO 249 N -1.39 2.71 0.13 0.00 0.04 -1.26 -4.88 135.00 130.35 1wut s PRO 249 Ca 0.40 1.34 0.25 0.00 0.04 0.00 0.00 61.00 63.03 1wut s PRO 249 Cb -0.23 -1.94 0.49 0.00 0.04 0.00 0.00 34.50 32.87 1wut s PRO 249 CO 0.27 -1.31 1.46 0.09 0.04 0.00 0.00 177.00 177.54 1wut n ASN 250 N -2.62 0.70 0.00 6.66 5.03 -1.26 -4.02 115.26 119.74 1wut n ASN 250 Ca 0.10 0.23 0.00 0.00 0.87 0.00 0.00 54.58 55.78 1wut n ASN 250 Cb 0.52 -0.09 0.00 0.00 -1.02 0.00 0.00 39.78 39.19 1wut n ASN 250 CO 0.00 0.00 0.00 -0.90 -1.83 0.00 0.00 177.26 174.53 1wut n ASP 251 N -2.10 0.00 -0.46 6.41 5.75 -1.26 -4.38 116.55 120.51 1wut n ASP 251 Ca 0.04 0.00 0.40 0.00 -0.01 0.00 0.00 54.79 55.22 1wut n ASP 251 Cb 0.43 0.00 0.67 0.00 -1.03 0.00 0.00 41.12 41.19 1wut n ASP 251 CO 0.00 0.00 0.00 0.49 -0.11 0.00 0.00 177.20 177.58 1wut n PHE 252 N 0.00 0.72 -0.96 2.11 0.99 -1.26 0.23 117.46 119.30 1wut n PHE 252 Ca 0.00 0.73 -0.14 0.00 -0.00 0.00 0.00 57.45 58.04 1wut n PHE 252 Cb 0.00 -1.16 -0.14 0.00 -1.00 0.00 0.00 39.48 37.18 1wut n PHE 252 CO 0.00 0.00 0.00 -1.71 -0.00 0.00 0.00 176.76 175.05 1wut n ASN 253 N -4.74 5.24 0.00 4.37 5.15 -1.26 -2.80 115.26 121.23 1wut n ASN 253 Ca 0.40 -2.42 0.00 0.00 -0.60 0.00 0.00 54.58 51.96 1wut n ASN 253 Cb 1.55 -1.33 0.00 0.00 -0.53 0.00 0.00 39.78 39.47 1wut n ASN 253 CO 0.00 0.00 0.00 -0.11 1.40 0.00 0.00 177.26 178.55 1wut n LEU 254 N 2.69 0.00 0.23 1.20 -0.00 0.13 -4.72 117.00 116.53 1wut n LEU 254 Ca 0.44 0.00 0.14 0.00 -0.00 0.00 0.00 56.01 56.59 1wut n LEU 254 Cb 0.77 0.00 0.36 0.00 -0.00 0.00 0.00 43.42 44.55 1wut n LEU 254 CO 0.22 0.00 0.88 0.50 -0.00 0.00 0.00 177.39 178.99 1wut h LYS 255 N 0.00 0.00 -5.75 1.96 3.64 0.31 -3.40 116.57 113.33 1wut h LYS 255 Ca 0.00 0.00 -0.35 0.00 -1.27 0.00 0.00 60.65 59.03 1wut h LYS 255 Cb 0.00 0.00 -0.06 0.00 -0.41 0.00 0.00 32.23 31.76 1wut h LYS 255 CO 0.00 0.00 0.90 0.34 -2.27 0.00 0.00 179.45 178.42 1wut s ASP 256 N -5.91 5.34 1.13 4.20 -1.08 -1.12 -4.88 116.67 114.35 1wut s ASP 256 Ca 0.05 -0.92 -0.18 0.00 -0.52 0.00 0.00 52.55 50.98 1wut s ASP 256 Cb 0.07 -2.56 0.26 0.00 -1.46 0.00 0.00 42.92 39.22 1wut s ASP 256 CO 0.62 -2.58 1.15 2.22 0.52 0.00 0.00 175.17 177.09 1wut n PHE 257 N 13.23 -3.92 -0.37 -5.34 -1.74 -1.26 -4.93 117.46 113.13 1wut n PHE 257 Ca 0.40 -1.03 0.00 0.00 -0.56 0.00 0.00 57.45 56.26 1wut n PHE 257 Cb 0.47 -1.04 0.00 0.00 1.52 0.00 0.00 39.48 40.43 1wut n PHE 257 CO 0.00 0.00 0.00 0.09 -0.56 0.00 0.00 176.76 176.29 1wut n ASN 258 N -4.36 -0.49 -1.48 5.98 4.13 -1.26 -5.05 115.26 112.73 1wut n ASN 258 Ca 0.15 0.00 0.00 0.00 1.68 0.00 0.00 54.58 56.41 1wut n ASN 258 Cb 0.56 -0.19 0.00 0.00 -1.54 0.00 0.00 39.78 38.61 1wut n ASN 258 CO 0.00 0.00 0.00 0.52 0.28 0.00 0.00 177.26 178.06 1wut n VAL 259 N -0.30 -3.56 0.00 2.41 0.31 -1.26 -5.03 118.33 110.90 1wut n VAL 259 Ca 0.00 1.69 0.00 0.00 -0.01 0.00 0.00 64.34 66.02 1wut n VAL 259 Cb 0.12 -2.57 0.00 0.00 -0.91 0.00 0.00 33.84 30.48 1wut n VAL 259 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1wut n GLY 260 N -1.95 1.64 0.00 2.92 0.00 -1.26 -5.10 105.19 101.44 1wut n GLY 260 Ca 0.00 -0.14 0.00 0.00 0.00 0.00 0.00 46.02 45.88 1wut n GLY 260 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1wut n GLY 261 N 0.00 3.31 0.13 -0.02 0.00 -1.26 -4.79 105.19 102.56 1wut n GLY 261 Ca 0.00 -1.37 -0.13 0.00 0.00 0.00 0.00 46.02 44.52 1wut n GLY 261 CO 0.00 0.00 0.00 -1.82 0.00 0.00 0.00 173.32 171.50 1wut h TYR 262 N 0.00 0.39 0.00 1.61 3.20 -1.99 -2.44 116.97 117.75 1wut h TYR 262 Ca 0.00 -0.13 0.02 0.00 3.14 0.00 0.00 58.73 61.76 1wut h TYR 262 Cb 0.00 -0.08 -0.02 0.00 1.54 0.00 0.00 36.73 38.17 1wut h TYR 262 CO 0.00 0.76 -0.10 0.82 -1.64 0.00 0.00 178.16 178.00 1wut h ILE 263 N -0.08 0.75 -0.69 1.81 1.08 -2.00 -2.33 117.51 116.05 1wut h ILE 263 Ca 0.01 0.00 0.08 0.00 -0.39 0.00 0.00 64.86 64.56 1wut h ILE 263 Cb 0.71 0.75 -0.06 0.00 -3.07 0.00 0.00 36.82 35.15 1wut h ILE 263 CO 0.04 0.00 0.36 1.56 -0.69 0.00 0.00 178.15 179.42 1wut h GLN 264 N -0.17 0.62 -0.99 2.37 1.08 -1.87 -0.85 115.11 115.30 1wut h GLN 264 Ca 0.04 -0.04 0.05 0.00 -1.45 0.00 0.00 58.65 57.25 1wut h GLN 264 Cb 0.21 -0.14 -0.06 0.00 -0.05 0.00 0.00 27.48 27.44 1wut h GLN 264 CO -0.10 0.41 0.64 0.00 -0.95 0.00 0.00 178.83 178.84 1wut h ALA 265 N 1.40 1.34 -0.26 3.87 0.00 -1.09 0.14 119.26 124.66 1wut h ALA 265 Ca 0.33 -0.04 -0.15 0.00 0.00 0.00 0.00 54.91 55.05 1wut h ALA 265 Cb 0.29 -0.33 -0.00 0.00 0.00 0.00 0.00 17.79 17.75 1wut h ALA 265 CO -0.23 0.49 -0.43 0.28 0.00 0.00 0.00 179.25 179.36 1wut h VAL 266 N 1.21 1.30 0.00 0.00 2.07 -0.80 -3.09 116.25 116.95 1wut h VAL 266 Ca 0.41 -1.63 -0.07 0.00 0.82 0.00 0.00 66.70 66.23 1wut h VAL 266 Cb 0.08 1.71 -0.01 0.00 -1.52 0.00 0.00 31.29 31.55 1wut h VAL 266 CO -0.15 0.52 -0.34 -0.07 0.02 0.00 0.00 177.57 177.55 1wut h LEU 267 N 0.48 0.00 0.00 2.57 3.38 -0.69 -2.63 115.31 118.42 1wut h LEU 267 Ca 0.02 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.99 1wut h LEU 267 Cb 1.03 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.78 1wut h LEU 267 CO 0.10 0.34 0.00 0.47 0.09 0.00 0.00 178.44 179.43 1wut n ASP 268 N -3.99 0.00 0.23 -0.43 8.00 0.44 -2.98 116.55 117.83 1wut n ASP 268 Ca -0.02 -0.05 0.06 0.00 0.71 0.00 0.00 54.79 55.49 1wut n ASP 268 Cb 0.39 -0.27 0.54 0.00 -0.02 0.00 0.00 41.12 41.76 1wut n ASP 268 CO 0.00 0.00 0.00 0.03 -0.39 0.00 0.00 177.20 176.84 1wut h ARG 269 N 0.00 0.02 -4.48 -1.24 3.08 -1.48 -3.12 114.38 107.15 1wut h ARG 269 Ca 0.00 -0.00 -0.69 0.00 0.07 0.00 0.00 59.98 59.35 1wut h ARG 269 Cb 0.19 -0.00 -0.04 0.00 0.08 0.00 0.00 29.97 30.20 1wut h ARG 269 CO 0.00 0.13 2.84 0.09 -1.07 0.00 0.00 179.97 181.96 1wut n ASN 270 N -4.40 4.01 0.00 7.04 3.02 -1.16 -2.06 115.26 121.72 1wut n ASN 270 Ca -0.02 -2.85 0.00 0.00 -0.03 0.00 0.00 54.58 51.68 1wut n ASN 270 Cb 0.19 -1.65 0.00 0.00 -0.61 0.00 0.00 39.78 37.71 1wut n ASN 270 CO 0.00 0.00 0.00 -0.11 -2.62 0.00 0.00 177.26 174.53 1wut n LEU 271 N 6.86 0.00 0.04 3.41 7.94 -1.18 -4.78 117.00 129.29 1wut n LEU 271 Ca 0.51 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 55.42 1wut n LEU 271 Cb 0.41 0.00 -0.07 0.00 0.53 0.00 0.00 43.42 44.28 1wut n LEU 271 CO 0.88 0.00 -0.24 0.00 -1.11 0.00 0.00 177.39 176.92 1wut h ALA 272 N 0.00 0.65 -0.01 1.96 0.00 -1.62 -3.32 119.26 116.92 1wut h ALA 272 Ca 0.00 -0.79 0.00 0.00 0.00 0.00 0.00 54.91 54.12 1wut h ALA 272 Cb 0.00 0.25 0.00 0.00 0.00 0.00 0.00 17.79 18.04 1wut h ALA 272 CO 0.00 0.87 -0.21 0.39 0.00 0.00 0.00 179.25 180.30 1wut n GLU 273 N -2.90 0.86 0.13 0.00 1.02 -1.14 -3.61 120.64 115.00 1wut n GLU 273 Ca -0.09 -0.46 0.13 0.00 -0.02 0.00 0.00 57.16 56.72 1wut n GLU 273 Cb 0.82 -1.49 0.47 0.00 -0.02 0.00 0.00 31.44 31.22 1wut n GLU 273 CO 0.00 0.00 0.00 -0.91 1.18 0.00 0.00 177.13 177.40 1wut h ASN 274 N 1.13 0.00 -0.76 1.62 2.35 -1.85 -3.20 115.58 114.87 1wut h ASN 274 Ca 0.00 0.00 0.07 0.00 -0.55 0.00 0.00 56.30 55.82 1wut h ASN 274 Cb 0.47 0.00 -0.05 0.00 0.05 0.00 0.00 38.32 38.79 1wut h ASN 274 CO 0.00 0.00 0.50 0.40 -1.65 0.00 0.00 177.43 176.68 1wut h ILE 275 N 0.00 1.01 -0.31 2.81 2.04 -1.80 -2.32 117.51 118.94 1wut h ILE 275 Ca 0.00 -0.27 0.00 0.00 1.00 0.00 0.00 64.86 65.59 1wut h ILE 275 Cb 0.50 0.16 0.00 0.00 -0.74 0.00 0.00 36.82 36.75 1wut h ILE 275 CO 0.00 0.14 0.00 -1.54 0.00 0.00 0.00 178.15 176.75 1wut n SER 276 N -4.49 4.12 -0.03 1.72 3.41 -1.21 -4.69 113.62 112.45 1wut n SER 276 Ca 0.11 -2.99 -0.14 0.00 -0.26 0.00 0.00 58.87 55.60 1wut n SER 276 Cb 0.25 -0.56 -0.09 0.00 -0.26 0.00 0.00 64.21 63.55 1wut n SER 276 CO 0.00 0.00 0.00 -0.09 -0.16 0.00 0.00 175.04 174.79 1wut h ARG 277 N 2.11 0.26 -3.68 4.33 9.65 -1.53 -2.76 114.38 122.76 1wut h ARG 277 Ca 0.00 -0.19 -0.17 0.00 -1.10 0.00 0.00 59.98 58.52 1wut h ARG 277 Cb 1.50 0.03 -0.22 0.00 -1.39 0.00 0.00 29.97 29.89 1wut h ARG 277 CO 0.25 0.81 -0.60 0.54 2.80 0.00 0.00 179.97 183.78 1wut s VAL 278 N -3.78 0.07 0.17 0.20 0.11 -1.26 -1.52 120.40 114.40 1wut s VAL 278 Ca -0.15 -0.60 -0.24 0.00 -2.93 0.00 0.00 61.98 58.06 1wut s VAL 278 Cb 0.03 -0.30 -0.08 0.00 -1.53 0.00 0.00 36.38 34.51 1wut s VAL 278 CO 0.75 -0.33 0.77 -0.22 -3.33 0.00 0.00 175.10 172.73 1wut s LEU 279 N -1.06 4.55 -0.12 2.54 2.96 -0.94 -5.00 118.68 121.60 1wut s LEU 279 Ca -0.12 1.61 -0.29 0.00 -0.22 0.00 0.00 54.13 55.11 1wut s LEU 279 Cb -0.07 -3.34 -0.02 0.00 0.50 0.00 0.00 46.19 43.26 1wut s LEU 279 CO 0.00 0.18 1.27 -0.31 -1.32 0.00 0.00 176.35 176.18 1wut s TYR 280 N -1.21 2.89 -0.40 5.38 1.51 -1.26 -4.88 117.35 119.38 1wut s TYR 280 Ca 0.37 1.01 0.00 0.00 -1.01 0.00 0.00 57.07 57.44 1wut s TYR 280 Cb -0.22 -3.51 0.00 0.00 -0.11 0.00 0.00 41.96 38.12 1wut s TYR 280 CO 0.25 -1.75 0.64 -0.35 -1.11 0.00 0.00 175.55 173.23 1wut n PRO 281 N 6.21 0.81 -3.39 -1.71 -0.04 -1.26 -4.87 135.00 130.74 1wut n PRO 281 Ca 0.13 0.00 -0.38 0.00 -0.04 0.00 0.00 63.50 63.21 1wut n PRO 281 Cb 0.45 -1.22 -0.07 0.00 -0.04 0.00 0.00 33.50 32.62 1wut n PRO 281 CO 0.00 0.00 0.00 -0.80 -0.04 0.00 0.00 175.50 174.66 1wut s ASN 282 N 0.52 6.49 -0.20 3.54 0.01 -1.26 -4.39 114.94 119.65 1wut s ASN 282 Ca 0.00 0.58 -0.04 0.00 -0.71 0.00 0.00 52.86 52.69 1wut s ASN 282 Cb 0.00 -2.24 -0.02 0.00 0.41 0.00 0.00 41.25 39.41 1wut s ASN 282 CO 0.00 -0.04 -0.03 -0.62 -1.51 0.00 0.00 177.10 174.90 1wut s ASP 283 N 0.87 4.52 -1.43 -1.22 2.15 -1.26 -4.61 116.67 115.69 1wut s ASP 283 Ca 0.20 -0.30 -0.06 0.00 0.43 0.00 0.00 52.55 52.83 1wut s ASP 283 Cb -0.15 -1.77 0.04 0.00 -0.30 0.00 0.00 42.92 40.74 1wut s ASP 283 CO 0.08 0.03 0.72 0.59 -0.17 0.00 0.00 175.17 176.42 1wut n ASN 284 N 4.44 -2.16 -3.66 -0.34 3.02 -1.26 -4.97 115.26 110.33 1wut n ASN 284 Ca -0.18 -0.87 -0.10 0.00 -0.03 0.00 0.00 54.58 53.41 1wut n ASN 284 Cb 0.51 -3.65 -0.08 0.00 -0.61 0.00 0.00 39.78 35.95 1wut n ASN 284 CO 0.00 0.00 0.00 0.12 -2.62 0.00 0.00 177.26 174.76 1wut s PHE 285 N -3.60 -0.83 -0.19 3.10 5.36 -1.26 -4.31 117.98 116.24 1wut s PHE 285 Ca 0.25 1.76 -0.11 0.00 -0.96 0.00 0.00 56.93 57.87 1wut s PHE 285 Cb -0.13 0.43 -0.05 0.00 -0.34 0.00 0.00 43.02 42.93 1wut s PHE 285 CO 0.85 -0.42 0.17 0.12 -1.46 0.00 0.00 175.22 174.47 1wut s PHE 286 N 1.23 3.41 -0.23 10.12 2.19 0.11 -4.86 117.98 129.96 1wut s PHE 286 Ca -0.07 0.38 0.01 0.00 0.33 0.00 0.00 56.93 57.58 1wut s PHE 286 Cb -0.06 -2.21 0.05 0.00 -1.31 0.00 0.00 43.02 39.50 1wut s PHE 286 CO -0.13 0.26 -0.09 -2.00 1.83 0.00 0.00 175.22 175.10 1wut s GLU 287 N 0.44 1.94 -1.54 10.12 2.12 -1.26 -4.98 118.70 125.53 1wut s GLU 287 Ca 0.10 -1.02 -0.10 0.00 0.36 0.00 0.00 54.97 54.30 1wut s GLU 287 Cb -0.12 -2.60 -0.03 0.00 0.26 0.00 0.00 34.13 31.64 1wut s GLU 287 CO -0.00 -0.53 2.69 0.41 -0.54 0.00 0.00 175.26 177.29 1wut n GLY 288 N 4.62 4.41 3.89 -1.50 0.00 -1.26 -4.92 105.19 110.43 1wut n GLY 288 Ca -0.14 -1.60 -0.32 0.00 0.00 0.00 0.00 46.02 43.96 1wut n GLY 288 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1wut s LYS 289 N 2.01 3.63 0.22 1.61 -0.14 -1.26 -5.00 119.74 120.80 1wut s LYS 289 Ca 0.62 -0.07 -0.08 0.00 -1.36 0.00 0.00 55.97 55.08 1wut s LYS 289 Cb 0.17 -2.89 0.17 0.00 -1.68 0.00 0.00 37.83 33.60 1wut s LYS 289 CO -0.07 0.50 1.83 1.49 -0.76 0.00 0.00 175.35 178.35 1wut h GLU 290 N 3.04 1.15 -0.90 1.68 4.81 -2.00 -2.58 114.58 119.77 1wut h GLU 290 Ca -0.47 -0.14 0.10 0.00 -0.13 0.00 0.00 59.36 58.72 1wut h GLU 290 Cb 1.17 -0.22 -0.07 0.00 0.63 0.00 0.00 28.75 30.26 1wut h GLU 290 CO 0.71 0.85 0.58 1.25 -0.73 0.00 0.00 179.01 181.68 1wut h LEU 291 N 1.14 0.82 -0.21 1.64 5.85 -1.98 -0.40 115.31 122.17 1wut h LEU 291 Ca 0.29 0.02 -0.02 0.00 0.84 0.00 0.00 57.88 59.01 1wut h LEU 291 Cb 0.04 -0.14 -0.01 0.00 0.37 0.00 0.00 40.66 40.92 1wut h LEU 291 CO -0.05 0.48 0.05 -0.09 -0.34 0.00 0.00 178.44 178.49 1wut h ARG 292 N 0.90 0.35 -0.82 1.25 1.12 -1.82 -1.65 114.38 113.70 1wut h ARG 292 Ca 0.42 -0.09 -0.01 0.00 -1.11 0.00 0.00 59.98 59.20 1wut h ARG 292 Cb 0.41 -0.04 -0.04 0.00 -0.01 0.00 0.00 29.97 30.29 1wut h ARG 292 CO -0.18 0.47 0.49 1.25 -3.11 0.00 0.00 179.97 178.89 1wut h LEU 293 N 0.16 0.99 -0.69 3.80 5.85 -1.14 -1.06 115.31 123.22 1wut h LEU 293 Ca 0.07 -0.06 -0.04 0.00 0.84 0.00 0.00 57.88 58.69 1wut h LEU 293 Cb 0.28 -0.25 -0.03 0.00 0.37 0.00 0.00 40.66 41.03 1wut h LEU 293 CO 0.00 0.76 0.28 0.11 -0.34 0.00 0.00 178.44 179.25 1wut h LYS 294 N 1.13 1.03 -0.68 1.25 1.57 -0.84 -1.19 116.57 118.85 1wut h LYS 294 Ca 0.30 -0.18 -0.05 0.00 -1.87 0.00 0.00 60.65 58.84 1wut h LYS 294 Cb -0.04 -0.17 -0.03 0.00 0.08 0.00 0.00 32.23 32.07 1wut h LYS 294 CO -0.06 0.85 0.24 1.96 -0.57 0.00 0.00 179.45 181.87 1wut h GLN 295 N 0.99 1.04 -0.52 3.15 4.20 -0.67 0.71 115.11 124.00 1wut h GLN 295 Ca 0.23 -0.21 -0.04 0.00 0.06 0.00 0.00 58.65 58.70 1wut h GLN 295 Cb 0.20 -0.16 -0.02 0.00 0.30 0.00 0.00 27.48 27.80 1wut h GLN 295 CO -0.02 0.88 0.18 0.93 -0.67 0.00 0.00 178.83 180.14 1wut h GLU 296 N 0.98 0.79 -0.22 1.46 5.08 -0.78 -1.92 114.58 119.96 1wut h GLU 296 Ca 0.22 -0.16 -0.21 0.00 -1.00 0.00 0.00 59.36 58.22 1wut h GLU 296 Cb 0.26 -0.12 0.01 0.00 0.50 0.00 0.00 28.75 29.40 1wut h GLU 296 CO -0.01 0.72 -0.67 -0.92 -1.00 0.00 0.00 179.01 177.13 1wut h TYR 297 N 0.70 1.10 -0.10 4.33 3.20 -1.07 -2.99 116.97 122.15 1wut h TYR 297 Ca 0.17 -0.44 0.04 0.00 3.14 0.00 0.00 58.73 61.64 1wut h TYR 297 Cb 0.24 -0.19 -0.06 0.00 1.54 0.00 0.00 36.73 38.26 1wut h TYR 297 CO 0.01 1.27 -0.29 0.35 -1.64 0.00 0.00 178.16 177.87 1wut h PHE 298 N 0.61 -0.78 -0.30 -3.82 3.57 -0.66 0.32 116.94 115.88 1wut h PHE 298 Ca -0.02 0.03 -0.06 0.00 3.53 0.00 0.00 57.97 61.46 1wut h PHE 298 Cb 1.29 0.36 -0.02 0.00 2.79 0.00 0.00 35.95 40.37 1wut h PHE 298 CO 0.08 -0.37 -0.06 -0.24 -2.23 0.00 0.00 178.31 175.49 1wut h VAL 299 N -0.38 1.21 -0.03 1.41 3.04 -1.42 -2.60 116.25 117.48 1wut h VAL 299 Ca 0.09 -0.86 -0.02 0.00 -1.01 0.00 0.00 66.70 64.90 1wut h VAL 299 Cb 0.51 1.04 -0.00 0.00 -2.01 0.00 0.00 31.29 30.84 1wut h VAL 299 CO -0.31 0.29 -0.05 0.58 -1.01 0.00 0.00 177.57 177.07 1wut h VAL 300 N 0.45 1.42 -0.35 1.51 2.07 -1.25 -2.38 116.25 117.73 1wut h VAL 300 Ca 0.09 -1.33 -0.00 0.00 0.82 0.00 0.00 66.70 66.28 1wut h VAL 300 Cb 0.39 2.25 -0.02 0.00 -1.52 0.00 0.00 31.29 32.39 1wut h VAL 300 CO 0.02 0.36 0.21 0.00 0.02 0.00 0.00 177.57 178.17 1wut h ALA 301 N 0.47 0.45 -0.34 1.67 0.00 -0.35 -1.80 119.26 119.35 1wut h ALA 301 Ca 0.00 -0.05 -0.10 0.00 0.00 0.00 0.00 54.91 54.76 1wut h ALA 301 Cb 0.60 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.24 1wut h ALA 301 CO 0.01 -0.05 -0.17 0.00 0.00 0.00 0.00 179.25 179.04 1wut h ALA 302 N 1.09 0.48 -0.55 0.00 0.00 -1.56 -2.98 119.26 115.74 1wut h ALA 302 Ca 0.13 -0.35 -0.01 0.00 0.00 0.00 0.00 54.91 54.68 1wut h ALA 302 Cb 0.01 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 17.66 1wut h ALA 302 CO -0.02 0.40 0.32 1.15 0.00 0.00 0.00 179.25 181.10 1wut h THR 303 N 0.50 1.17 -0.70 0.00 2.02 -1.34 -2.59 112.91 111.97 1wut h THR 303 Ca 0.08 -0.40 -0.06 0.00 0.77 0.00 0.00 66.41 66.80 1wut h THR 303 Cb 0.70 0.44 -0.03 0.00 -1.74 0.00 0.00 68.15 67.52 1wut h THR 303 CO 0.05 0.18 0.20 -0.07 0.37 0.00 0.00 175.52 176.24 1wut h LEU 304 N 0.74 1.03 -0.80 2.58 3.38 -1.34 0.28 115.31 121.19 1wut h LEU 304 Ca 0.20 -0.22 -0.00 0.00 0.09 0.00 0.00 57.88 57.94 1wut h LEU 304 Cb 0.00 -0.27 -0.04 0.00 0.09 0.00 0.00 40.66 40.44 1wut h LEU 304 CO -0.04 0.98 0.49 1.56 0.09 0.00 0.00 178.44 181.52 1wut h GLN 305 N 1.03 1.08 -0.36 1.13 4.20 -1.39 0.05 115.11 120.85 1wut h GLN 305 Ca 0.22 -0.09 -0.10 0.00 0.06 0.00 0.00 58.65 58.74 1wut h GLN 305 Cb 0.33 -0.23 -0.02 0.00 0.30 0.00 0.00 27.48 27.87 1wut h GLN 305 CO -0.00 0.75 -0.17 0.22 -0.67 0.00 0.00 178.83 178.96 1wut h ASP 306 N 1.09 0.66 -0.27 1.46 -0.00 -1.10 -0.75 116.42 117.51 1wut h ASP 306 Ca 0.29 -0.21 -0.11 0.00 -0.00 0.00 0.00 57.03 57.00 1wut h ASP 306 Cb -0.05 -0.18 -0.00 0.00 -0.00 0.00 0.00 39.33 39.09 1wut h ASP 306 CO -0.06 0.84 -0.25 0.40 -0.00 0.00 0.00 179.24 180.18 1wut h ILE 307 N 0.60 1.31 -0.27 2.25 2.04 -0.29 -2.53 117.51 120.61 1wut h ILE 307 Ca 0.10 -1.40 -0.15 0.00 1.00 0.00 0.00 64.86 64.40 1wut h ILE 307 Cb 0.62 1.60 -0.01 0.00 -0.74 0.00 0.00 36.82 38.30 1wut h ILE 307 CO 0.04 0.44 -0.45 0.40 0.00 0.00 0.00 178.15 178.58 1wut h ILE 308 N 0.38 1.29 -0.56 -0.67 2.04 -0.90 -2.04 117.51 117.06 1wut h ILE 308 Ca 0.05 -1.65 -0.00 0.00 1.00 0.00 0.00 64.86 64.26 1wut h ILE 308 Cb 0.80 1.57 -0.03 0.00 -0.74 0.00 0.00 36.82 38.43 1wut h ILE 308 CO 0.06 0.53 0.34 -0.09 0.00 0.00 0.00 178.15 178.99 1wut h ARG 309 N 0.56 0.75 -0.79 2.37 2.43 -1.15 0.29 114.38 118.85 1wut h ARG 309 Ca 0.03 -0.07 -0.02 0.00 -0.81 0.00 0.00 59.98 59.12 1wut h ARG 309 Cb 1.00 -0.16 -0.04 0.00 -0.42 0.00 0.00 29.97 30.36 1wut h ARG 309 CO 0.09 0.54 0.40 -0.09 -1.51 0.00 0.00 179.97 179.40 1wut h ARG 310 N 0.75 1.12 -0.26 0.20 2.43 -1.35 -2.86 114.38 114.41 1wut h ARG 310 Ca 0.20 -0.15 -0.04 0.00 -0.81 0.00 0.00 59.98 59.17 1wut h ARG 310 Cb -0.02 -0.21 -0.01 0.00 -0.42 0.00 0.00 29.97 29.31 1wut h ARG 310 CO -0.04 0.86 -0.00 0.35 -1.51 0.00 0.00 179.97 179.62 1wut h PHE 311 N 1.11 0.51 -0.15 2.20 3.57 -0.75 -2.02 116.94 121.40 1wut h PHE 311 Ca 0.27 -0.09 0.04 0.00 3.53 0.00 0.00 57.97 61.73 1wut h PHE 311 Cb 0.09 -0.13 -0.01 0.00 2.79 0.00 0.00 35.95 38.69 1wut h PHE 311 CO 0.01 0.63 0.23 0.87 -2.23 0.00 0.00 178.31 177.81 1wut h LYS 312 N 0.24 0.00 0.00 1.11 1.57 -0.26 -2.95 116.57 116.28 1wut h LYS 312 Ca 0.07 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.85 1wut h LYS 312 Cb 0.43 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.74 1wut h LYS 312 CO 0.01 0.00 0.00 0.43 -0.57 0.00 0.00 179.45 179.32 1wut n SER 313 N -3.54 0.00 0.00 0.86 7.64 -1.03 -5.10 113.62 112.45 1wut n SER 313 Ca 0.01 0.26 0.00 0.00 1.01 0.00 0.00 58.87 60.15 1wut n SER 313 Cb 0.33 -0.33 0.00 0.00 -1.01 0.00 0.00 64.21 63.21 1wut n SER 313 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 1wut n SER 314 N -1.62 0.00 -3.72 6.43 7.64 -0.79 -5.13 113.62 116.43 1wut n SER 314 Ca 0.00 0.00 -0.28 0.00 1.01 0.00 0.00 58.87 59.60 1wut n SER 314 Cb 0.00 0.00 -0.11 0.00 -1.01 0.00 0.00 64.21 63.09 1wut n SER 314 CO 0.00 0.00 0.00 -0.89 -3.01 0.00 0.00 175.04 171.14 1wut s THR 324 N 0.00 1.98 -0.43 0.44 2.01 -1.26 -5.06 115.64 113.33 1wut s THR 324 Ca 0.00 -3.66 -0.21 0.00 0.31 0.00 0.00 61.69 58.12 1wut s THR 324 Cb 0.00 -2.32 0.02 0.00 0.01 0.00 0.00 72.50 70.21 1wut s THR 324 CO 0.00 -1.08 0.68 0.20 -0.69 0.00 0.00 174.62 173.73 1wut s ASN 325 N -0.87 6.36 -0.00 3.53 0.02 -1.26 -4.90 114.94 117.82 1wut s ASN 325 Ca 0.27 -0.21 0.01 0.00 -1.02 0.00 0.00 52.86 51.91 1wut s ASN 325 Cb -0.03 -2.34 0.04 0.00 0.02 0.00 0.00 41.25 38.95 1wut s ASN 325 CO -0.17 -0.79 0.92 0.49 0.02 0.00 0.00 177.10 177.57 1wut n PHE 326 N 6.35 0.08 0.18 2.20 3.72 -1.26 -3.52 117.46 125.22 1wut n PHE 326 Ca -0.00 -0.03 0.02 0.00 -0.05 0.00 0.00 57.45 57.38 1wut n PHE 326 Cb 0.48 -0.03 0.35 0.00 -0.94 0.00 0.00 39.48 39.34 1wut n PHE 326 CO 0.00 0.00 0.00 -0.44 -0.05 0.00 0.00 176.76 176.27 1wut h ASP 327 N 0.26 0.00 0.21 4.37 5.19 -1.97 -2.13 116.42 122.34 1wut h ASP 327 Ca 0.00 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.41 1wut h ASP 327 Cb 0.19 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.70 1wut h ASP 327 CO 0.01 0.38 -0.20 0.00 -3.12 0.00 0.00 179.24 176.31 1wut n ALA 328 N -2.46 2.96 -0.08 3.45 0.00 -1.23 -4.40 120.51 118.75 1wut n ALA 328 Ca -0.02 -0.39 -0.08 0.00 0.00 0.00 0.00 53.44 52.95 1wut n ALA 328 Cb 0.42 -1.16 -0.02 0.00 0.00 0.00 0.00 19.45 18.69 1wut n ALA 328 CO 0.00 0.00 0.00 0.35 0.00 0.00 0.00 177.50 177.85 1wut h PHE 329 N 1.31 -0.78 0.00 0.00 3.04 -1.61 -0.63 116.94 118.28 1wut h PHE 329 Ca 0.00 0.05 0.00 0.00 3.98 0.00 0.00 57.97 62.00 1wut h PHE 329 Cb 0.49 0.39 0.00 0.00 2.56 0.00 0.00 35.95 39.39 1wut h PHE 329 CO 0.00 -0.36 0.00 -2.30 -2.02 0.00 0.00 178.31 173.63 1wut n PRO 330 N -5.40 0.15 0.07 6.41 -0.02 -1.26 -0.63 135.00 134.32 1wut n PRO 330 Ca -0.00 0.53 0.12 0.00 -2.02 0.00 0.00 63.50 62.13 1wut n PRO 330 Cb 0.32 -1.88 0.24 0.00 -0.02 0.00 0.00 33.50 32.16 1wut n PRO 330 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 1wut n ASP 331 N -2.17 0.73 -0.00 2.55 8.00 -0.26 -3.97 116.55 121.43 1wut n ASP 331 Ca 0.00 0.25 0.00 0.00 0.71 0.00 0.00 54.79 55.76 1wut n ASP 331 Cb 0.11 -0.12 -0.00 0.00 -0.02 0.00 0.00 41.12 41.09 1wut n ASP 331 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 1wut n LYS 332 N -2.15 4.99 -4.38 -1.24 4.76 -0.55 -4.59 118.16 114.99 1wut n LYS 332 Ca 0.04 -0.00 -0.20 0.00 -2.87 0.00 0.00 58.31 55.28 1wut n LYS 332 Cb 0.44 -0.66 -0.15 0.00 -1.84 0.00 0.00 35.03 32.81 1wut n LYS 332 CO 0.00 0.00 0.00 0.08 -1.37 0.00 0.00 177.40 176.11 1wut s VAL 333 N -1.33 0.75 -0.05 -0.18 1.01 0.20 -0.49 120.40 120.32 1wut s VAL 333 Ca 0.00 -0.37 -0.01 0.00 0.00 0.00 0.00 61.98 61.60 1wut s VAL 333 Cb 0.01 -0.66 0.03 0.00 0.00 0.00 0.00 36.38 35.76 1wut s VAL 333 CO 0.03 0.23 0.01 0.00 0.00 0.00 0.00 175.10 175.37 1wut s ALA 334 N 0.03 0.48 -0.17 5.51 0.00 -0.58 -4.48 121.76 122.55 1wut s ALA 334 Ca -0.00 0.04 0.01 0.00 0.00 0.00 0.00 51.96 52.01 1wut s ALA 334 Cb -0.06 -0.57 0.02 0.00 0.00 0.00 0.00 23.12 22.50 1wut s ALA 334 CO 0.00 -0.32 -0.20 0.96 0.00 0.00 0.00 175.76 176.20 1wut s ILE 335 N 1.66 2.13 -0.19 0.00 -4.36 -0.19 0.28 121.20 120.54 1wut s ILE 335 Ca -0.00 -0.93 -0.12 0.00 -0.26 0.00 0.00 60.65 59.34 1wut s ILE 335 Cb -0.13 -1.88 -0.05 0.00 1.25 0.00 0.00 42.46 41.65 1wut s ILE 335 CO -0.03 0.54 0.22 -1.58 0.24 0.00 0.00 174.94 174.32 1wut s GLN 336 N 1.14 4.21 -0.40 0.37 2.00 0.71 -2.43 119.66 125.26 1wut s GLN 336 Ca 0.01 -0.06 -0.18 0.00 -2.00 0.00 0.00 55.36 53.13 1wut s GLN 336 Cb -0.14 -3.44 0.01 0.00 0.80 0.00 0.00 33.01 30.24 1wut s GLN 336 CO -0.09 0.23 0.48 -0.51 -0.50 0.00 0.00 175.29 174.91 1wut s LEU 337 N 0.52 4.63 -0.99 3.68 1.02 0.42 -1.76 118.68 126.20 1wut s LEU 337 Ca 0.12 -0.42 -0.22 0.00 0.02 0.00 0.00 54.13 53.64 1wut s LEU 337 Cb -0.12 -2.48 0.08 0.00 0.02 0.00 0.00 46.19 43.68 1wut s LEU 337 CO 0.02 -0.56 1.34 0.21 0.02 0.00 0.00 176.35 177.37 1wut s ASN 338 N 1.83 6.55 0.03 2.29 2.47 -0.83 -1.65 114.94 125.63 1wut s ASN 338 Ca 0.15 -1.66 0.00 0.00 0.42 0.00 0.00 52.86 51.77 1wut s ASN 338 Cb -0.16 -2.51 0.00 0.00 -1.45 0.00 0.00 41.25 37.13 1wut s ASN 338 CO 0.14 -1.35 0.00 -0.67 -3.72 0.00 0.00 177.10 171.50 1wut n ASP 339 N 8.08 -0.16 -0.46 -4.21 4.64 -0.79 -4.34 116.55 119.31 1wut n ASP 339 Ca 0.30 0.00 0.14 0.00 -1.38 0.00 0.00 54.79 53.85 1wut n ASP 339 Cb 0.50 0.00 0.47 0.00 -1.04 0.00 0.00 41.12 41.05 1wut n ASP 339 CO 0.00 0.00 0.00 0.35 -0.82 0.00 0.00 177.20 176.73 1wut n THR 340 N -0.05 0.00 -0.30 5.18 -2.24 -1.26 -4.35 114.28 111.27 1wut n THR 340 Ca 0.00 -0.24 0.07 0.00 -2.27 0.00 0.00 64.05 61.61 1wut n THR 340 Cb 0.00 0.54 0.22 0.00 -2.10 0.00 0.00 70.33 68.99 1wut n THR 340 CO 0.00 0.00 0.00 0.45 -0.57 0.00 0.00 175.07 174.95 1wut h HIS 341 N 2.25 0.78 -0.57 4.78 3.86 -1.97 -0.55 115.15 123.73 1wut h HIS 341 Ca 0.00 0.03 -0.06 0.00 -1.16 0.00 0.00 60.37 59.18 1wut h HIS 341 Cb 0.53 -0.22 -0.04 0.00 1.06 0.00 0.00 27.41 28.74 1wut h HIS 341 CO 0.00 0.20 0.08 -0.35 0.86 0.00 0.00 177.93 178.72 1wut n PRO 342 N -4.86 4.19 0.34 2.45 -0.04 -1.26 -4.61 135.00 131.21 1wut n PRO 342 Ca 0.17 -2.82 0.21 0.00 -0.04 0.00 0.00 63.50 61.02 1wut n PRO 342 Cb 0.42 -2.18 1.13 0.00 -0.04 0.00 0.00 33.50 32.84 1wut n PRO 342 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 1wut h SER 343 N 3.22 0.00 0.14 3.54 4.64 -1.35 -1.90 113.55 121.84 1wut h SER 343 Ca 0.08 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.40 1wut h SER 343 Cb 1.96 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 64.05 1wut h SER 343 CO 0.52 0.00 0.00 0.18 -0.87 0.00 0.00 176.83 176.66 1wut n LEU 344 N -3.05 0.00 0.14 5.97 4.77 -1.26 -2.51 117.00 121.06 1wut n LEU 344 Ca -0.03 0.12 0.02 0.00 -0.03 0.00 0.00 56.01 56.09 1wut n LEU 344 Cb 0.14 -0.12 0.36 0.00 -2.33 0.00 0.00 43.42 41.47 1wut n LEU 344 CO 0.19 -0.05 0.80 0.00 -1.33 0.00 0.00 177.39 176.99 1wut h ALA 345 N 2.99 1.41 0.61 -1.18 0.00 -1.71 -0.72 119.26 120.67 1wut h ALA 345 Ca 0.00 -0.28 -0.03 0.00 0.00 0.00 0.00 54.91 54.60 1wut h ALA 345 Cb 0.07 -0.08 0.01 0.00 0.00 0.00 0.00 17.79 17.79 1wut h ALA 345 CO 0.00 0.42 -0.30 0.82 0.00 0.00 0.00 179.25 180.19 1wut h ILE 346 N 0.15 0.05 0.00 0.00 2.04 -1.74 0.82 117.51 118.83 1wut h ILE 346 Ca 0.02 -0.39 -0.03 0.00 1.00 0.00 0.00 64.86 65.47 1wut h ILE 346 Cb 0.53 0.08 -0.00 0.00 -0.74 0.00 0.00 36.82 36.68 1wut h ILE 346 CO 0.04 0.01 -0.13 1.55 0.00 0.00 0.00 178.15 179.61 1wut h PRO 347 N -1.20 0.00 -0.08 2.37 0.13 -1.75 -2.43 132.00 129.04 1wut h PRO 347 Ca -0.08 0.00 -0.21 0.00 -0.87 0.00 0.00 66.00 64.83 1wut h PRO 347 Cb 0.65 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.78 1wut h PRO 347 CO 0.14 0.13 -0.81 1.49 -0.23 0.00 0.00 178.00 178.72 1wut h GLU 348 N 0.00 0.56 -0.47 0.86 4.57 -1.11 -1.34 114.58 117.65 1wut h GLU 348 Ca -0.00 -0.49 -0.10 0.00 -1.18 0.00 0.00 59.36 57.59 1wut h GLU 348 Cb 0.52 0.11 -0.02 0.00 -0.16 0.00 0.00 28.75 29.21 1wut h GLU 348 CO 0.02 1.12 -0.10 1.25 -1.18 0.00 0.00 179.01 180.12 1wut h LEU 349 N 0.37 0.85 -0.48 1.64 5.85 -0.50 -2.34 115.31 120.69 1wut h LEU 349 Ca -0.05 -0.26 -0.06 0.00 0.84 0.00 0.00 57.88 58.35 1wut h LEU 349 Cb 1.42 -0.23 -0.02 0.00 0.37 0.00 0.00 40.66 42.20 1wut h LEU 349 CO 0.15 0.97 0.05 0.24 -0.34 0.00 0.00 178.44 179.51 1wut h MET 350 N 0.77 0.80 -0.10 1.25 2.86 -1.37 -1.97 114.93 117.16 1wut h MET 350 Ca 0.13 -0.23 0.03 0.00 -2.06 0.00 0.00 59.70 57.57 1wut h MET 350 Cb 0.60 -0.09 -0.03 0.00 0.06 0.00 0.00 31.60 32.15 1wut h MET 350 CO 0.04 0.83 -0.08 -0.09 1.06 0.00 0.00 176.91 178.66 1wut h ARG 351 N 0.67 -0.09 0.22 1.72 2.43 -0.96 0.26 114.38 118.62 1wut h ARG 351 Ca 0.14 0.01 -0.01 0.00 -0.81 0.00 0.00 59.98 59.31 1wut h ARG 351 Cb 0.43 0.02 0.00 0.00 -0.42 0.00 0.00 29.97 30.00 1wut h ARG 351 CO 0.01 -0.06 -0.11 0.28 -1.51 0.00 0.00 179.97 178.59 1wut h VAL 352 N -0.10 0.83 -0.61 0.20 2.07 -1.41 0.46 116.25 117.69 1wut h VAL 352 Ca 0.07 -0.25 0.04 0.00 0.82 0.00 0.00 66.70 67.39 1wut h VAL 352 Cb 0.20 0.98 -0.05 0.00 -1.52 0.00 0.00 31.29 30.90 1wut h VAL 352 CO -0.16 0.06 0.35 -0.07 0.02 0.00 0.00 177.57 177.76 1wut h LEU 353 N -0.42 0.53 0.00 2.57 3.38 -1.15 0.23 115.31 120.45 1wut h LEU 353 Ca -0.03 0.02 -0.03 0.00 0.09 0.00 0.00 57.88 57.93 1wut h LEU 353 Cb 0.32 -0.09 -0.00 0.00 0.09 0.00 0.00 40.66 40.97 1wut h LEU 353 CO 0.05 0.36 -0.23 0.58 0.09 0.00 0.00 178.44 179.29 1wut h VAL 354 N 0.66 0.90 -0.11 1.22 2.07 -0.44 0.43 116.25 120.99 1wut h VAL 354 Ca 0.26 -1.74 -0.11 0.00 0.82 0.00 0.00 66.70 65.93 1wut h VAL 354 Cb 0.11 1.77 0.00 0.00 -1.52 0.00 0.00 31.29 31.65 1wut h VAL 354 CO -0.15 0.30 -0.37 0.44 0.02 0.00 0.00 177.57 177.81 1wut h ASP 355 N -1.00 0.51 0.00 0.57 3.45 -0.17 -2.95 116.42 116.83 1wut h ASP 355 Ca -0.05 -0.62 -0.26 0.00 0.43 0.00 0.00 57.03 56.54 1wut h ASP 355 Cb 0.66 -0.15 -0.04 0.00 -0.56 0.00 0.00 39.33 39.24 1wut h ASP 355 CO -0.03 1.04 -1.41 0.18 -1.57 0.00 0.00 179.24 177.45 1wut n LEU 356 N -4.35 1.89 0.09 1.55 4.77 -0.36 -4.41 117.00 116.19 1wut n LEU 356 Ca -0.08 0.41 0.13 0.00 -0.03 0.00 0.00 56.01 56.44 1wut n LEU 356 Cb 0.52 -0.96 0.33 0.00 -2.33 0.00 0.00 43.42 40.99 1wut n LEU 356 CO 0.44 0.32 0.71 -0.62 -1.33 0.00 0.00 177.39 176.91 1wut n GLU 357 N -4.38 0.26 -3.13 3.23 -0.58 0.66 -4.97 120.64 111.72 1wut n GLU 357 Ca -0.34 0.16 -0.17 0.00 -0.42 0.00 0.00 57.16 56.39 1wut n GLU 357 Cb 0.71 -1.75 0.05 0.00 -0.57 0.00 0.00 31.44 29.88 1wut n GLU 357 CO 0.00 0.00 0.00 0.54 -0.48 0.00 0.00 177.13 177.19 1wut n ARG 358 N -2.18 -5.05 -2.87 3.49 1.74 -0.36 -4.95 116.66 106.48 1wut n ARG 358 Ca 0.05 0.62 -0.30 0.00 -0.77 0.00 0.00 57.85 57.44 1wut n ARG 358 Cb 0.43 -4.96 -0.03 0.00 -1.02 0.00 0.00 32.46 26.88 1wut n ARG 358 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 1wut s LEU 359 N -5.35 3.84 0.56 0.55 1.02 -0.00 -4.98 118.68 114.31 1wut s LEU 359 Ca 0.36 1.11 -0.18 0.00 0.02 0.00 0.00 54.13 55.43 1wut s LEU 359 Cb -0.16 -3.99 -0.05 0.00 0.02 0.00 0.00 46.19 42.01 1wut s LEU 359 CO 0.44 -0.39 1.09 1.51 0.02 0.00 0.00 176.35 179.02 1wut s ASP 360 N -3.17 5.81 0.14 2.29 -4.77 -1.26 -4.42 116.67 111.29 1wut s ASP 360 Ca 0.51 2.01 -0.32 0.00 -3.30 0.00 0.00 52.55 51.45 1wut s ASP 360 Cb -0.10 -2.56 -0.09 0.00 -1.09 0.00 0.00 42.92 39.07 1wut s ASP 360 CO 0.31 -1.15 1.54 -0.25 0.70 0.00 0.00 175.17 176.33 1wut h TRP 361 N 0.97 -1.79 -0.87 2.11 2.91 -1.97 -1.14 115.95 116.17 1wut h TRP 361 Ca -0.49 0.10 0.11 0.00 1.13 0.00 0.00 58.89 59.75 1wut h TRP 361 Cb 1.24 0.87 -0.06 0.00 -0.51 0.00 0.00 29.16 30.69 1wut h TRP 361 CO 0.55 -0.44 0.56 -0.44 -1.03 0.00 0.00 178.44 177.64 1wut h ASP 362 N -0.22 0.73 -0.22 2.65 5.19 -1.99 0.33 116.42 122.89 1wut h ASP 362 Ca 0.11 0.03 -0.15 0.00 -0.62 0.00 0.00 57.03 56.40 1wut h ASP 362 Cb 0.51 -0.12 0.00 0.00 0.18 0.00 0.00 39.33 39.90 1wut h ASP 362 CO -0.75 0.41 -0.44 0.50 -3.12 0.00 0.00 179.24 175.84 1wut h LYS 363 N 0.79 0.69 -0.56 3.56 3.11 -1.82 -2.28 116.57 120.06 1wut h LYS 363 Ca 0.41 -0.45 -0.00 0.00 -2.81 0.00 0.00 60.65 57.81 1wut h LYS 363 Cb 0.51 0.06 -0.03 0.00 -1.00 0.00 0.00 32.23 31.77 1wut h LYS 363 CO -0.18 1.07 0.35 0.00 -2.81 0.00 0.00 179.45 177.88 1wut h ALA 364 N 0.62 0.72 -0.34 5.00 0.00 0.03 -1.77 119.26 123.51 1wut h ALA 364 Ca 0.01 -0.06 -0.10 0.00 0.00 0.00 0.00 54.91 54.75 1wut h ALA 364 Cb 1.05 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 18.59 1wut h ALA 364 CO 0.10 0.19 -0.20 2.35 0.00 0.00 0.00 179.25 181.69 1wut h TRP 365 N 0.76 0.72 -0.47 0.00 2.91 -0.38 -0.95 115.95 118.55 1wut h TRP 365 Ca 0.20 -0.15 -0.05 0.00 1.13 0.00 0.00 58.89 60.02 1wut h TRP 365 Cb -0.03 -0.18 -0.02 0.00 -0.51 0.00 0.00 29.16 28.42 1wut h TRP 365 CO -0.03 0.80 0.09 1.49 -1.03 0.00 0.00 178.44 179.76 1wut h GLU 366 N 0.57 0.77 -0.12 2.65 4.81 -1.13 -0.68 114.58 121.45 1wut h GLU 366 Ca 0.09 -0.20 -0.01 0.00 -0.13 0.00 0.00 59.36 59.11 1wut h GLU 366 Cb 0.66 -0.09 -0.00 0.00 0.63 0.00 0.00 28.75 29.94 1wut h GLU 366 CO 0.05 0.77 0.02 0.28 -0.73 0.00 0.00 179.01 179.40 1wut h VAL 367 N 0.64 1.21 -0.11 0.32 2.07 -1.09 -2.37 116.25 116.93 1wut h VAL 367 Ca 0.14 -0.67 0.03 0.00 0.82 0.00 0.00 66.70 67.03 1wut h VAL 367 Cb 0.36 1.42 -0.03 0.00 -1.52 0.00 0.00 31.29 31.53 1wut h VAL 367 CO 0.01 0.19 -0.06 0.74 0.02 0.00 0.00 177.57 178.47 1wut h THR 368 N -0.01 0.81 -0.40 2.57 2.02 -1.02 -2.00 112.91 114.87 1wut h THR 368 Ca 0.04 0.00 -0.03 0.00 0.77 0.00 0.00 66.41 67.19 1wut h THR 368 Cb 0.28 0.81 -0.02 0.00 -1.74 0.00 0.00 68.15 67.48 1wut h THR 368 CO 0.00 0.00 0.12 0.58 0.37 0.00 0.00 175.52 176.59 1wut h VAL 369 N -0.06 1.17 0.00 3.16 2.07 -1.14 -2.13 116.25 119.32 1wut h VAL 369 Ca 0.06 -0.57 -0.02 0.00 0.82 0.00 0.00 66.70 66.99 1wut h VAL 369 Cb 0.15 0.74 -0.00 0.00 -1.52 0.00 0.00 31.29 30.66 1wut h VAL 369 CO -0.14 0.21 -0.09 0.11 0.02 0.00 0.00 177.57 177.68 1wut h LYS 370 N 0.57 0.00 0.00 1.57 1.57 -0.95 -2.09 116.57 117.24 1wut h LYS 370 Ca 0.14 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.92 1wut h LYS 370 Cb 0.18 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.49 1wut h LYS 370 CO -0.01 0.09 -1.71 0.25 -0.57 0.00 0.00 179.45 177.50 1wut n THR 371 N -3.16 0.00 -3.74 -0.16 -2.24 -0.80 -4.91 114.28 99.28 1wut n THR 371 Ca 0.02 -0.36 -0.36 0.00 -2.27 0.00 0.00 64.05 61.08 1wut n THR 371 Cb 0.45 0.27 -0.06 0.00 -2.10 0.00 0.00 70.33 68.90 1wut n THR 371 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1wut s ALA 373 N -1.18 -0.12 -0.05 0.00 0.00 -1.02 -1.22 121.76 118.18 1wut s ALA 373 Ca 0.23 0.05 0.06 0.00 0.00 0.00 0.00 51.96 52.31 1wut s ALA 373 Cb -0.14 -0.05 -0.01 0.00 0.00 0.00 0.00 23.12 22.92 1wut s ALA 373 CO 0.12 -0.05 -0.25 -0.47 0.00 0.00 0.00 175.76 175.11 1wut s TYR 374 N -0.22 2.43 -0.19 0.00 6.04 -0.26 -0.44 117.35 124.71 1wut s TYR 374 Ca -0.03 -0.65 -0.02 0.00 0.04 0.00 0.00 57.07 56.41 1wut s TYR 374 Cb -0.02 -1.58 -0.01 0.00 -1.04 0.00 0.00 41.96 39.31 1wut s TYR 374 CO 0.00 -0.17 -0.08 0.99 -1.54 0.00 0.00 175.55 174.75 1wut s THR 375 N -0.26 3.17 -0.03 4.34 2.01 -0.66 -1.80 115.64 122.41 1wut s THR 375 Ca -0.00 -0.58 -0.15 0.00 0.31 0.00 0.00 61.69 61.27 1wut s THR 375 Cb -0.13 -2.41 -0.05 0.00 0.01 0.00 0.00 72.50 69.92 1wut s THR 375 CO 0.03 0.46 0.40 0.21 -0.69 0.00 0.00 174.62 175.03 1wut s ASN 376 N 1.16 6.76 0.00 3.53 3.84 -0.65 -1.89 114.94 127.69 1wut s ASN 376 Ca 0.02 0.90 0.05 0.00 0.21 0.00 0.00 52.86 54.04 1wut s ASN 376 Cb -0.14 -2.25 -0.05 0.00 -0.55 0.00 0.00 41.25 38.25 1wut s ASN 376 CO -0.02 0.27 0.24 1.41 -2.79 0.00 0.00 177.10 176.21 1wut n HIS 377 N 2.17 0.00 -3.51 0.43 8.25 -1.26 -4.12 115.22 117.19 1wut n HIS 377 Ca -0.13 0.00 -0.11 0.00 -0.26 0.00 0.00 57.72 57.22 1wut n HIS 377 Cb 0.52 0.00 -0.02 0.00 1.12 0.00 0.00 29.99 31.61 1wut n HIS 377 CO 0.00 0.00 0.00 -0.08 0.64 0.00 0.00 176.34 176.90 1wut s THR 378 N -1.47 0.01 -0.30 1.59 -1.32 -1.26 -4.49 115.64 108.39 1wut s THR 378 Ca 0.02 -0.21 0.03 0.00 -1.21 0.00 0.00 61.69 60.32 1wut s THR 378 Cb 0.04 -1.17 0.01 0.00 -1.51 0.00 0.00 72.50 69.88 1wut s THR 378 CO 0.21 -0.03 0.48 1.33 -2.21 0.00 0.00 174.62 174.40 1wut n VAL 379 N -0.37 0.00 -2.37 5.08 0.24 -1.26 -5.00 118.33 114.64 1wut n VAL 379 Ca -0.15 -0.49 -0.42 0.00 -2.04 0.00 0.00 64.34 61.25 1wut n VAL 379 Cb 0.64 1.05 -0.03 0.00 -1.47 0.00 0.00 33.84 34.02 1wut n VAL 379 CO 0.00 0.00 0.00 0.27 -2.14 0.00 0.00 176.83 174.96 1wut s ILE 380 N -0.46 3.71 0.28 1.34 -4.36 -1.26 -4.92 121.20 115.53 1wut s ILE 380 Ca 0.03 1.34 0.00 0.00 -0.26 0.00 0.00 60.65 61.76 1wut s ILE 380 Cb 0.02 -3.86 0.28 0.00 1.25 0.00 0.00 42.46 40.16 1wut s ILE 380 CO 0.05 0.16 1.87 1.55 0.24 0.00 0.00 174.94 178.81 1wut h PRO 381 N 5.96 1.02 0.00 0.37 0.13 -1.98 -2.09 132.00 135.41 1wut h PRO 381 Ca -0.43 -0.06 0.00 0.00 -0.87 0.00 0.00 66.00 64.64 1wut h PRO 381 Cb 1.21 -0.23 0.00 0.00 0.13 0.00 0.00 31.00 32.11 1wut h PRO 381 CO 0.78 0.68 0.00 -0.85 -0.23 0.00 0.00 178.00 178.38 1wut n GLU 382 N -4.55 0.01 0.03 0.86 0.00 -1.26 -1.75 120.64 113.98 1wut n GLU 382 Ca 0.17 0.31 0.11 0.00 0.00 0.00 0.00 57.16 57.74 1wut n GLU 382 Cb 0.27 -1.53 0.01 0.00 0.00 0.00 0.00 31.44 30.19 1wut n GLU 382 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 1wut n ALA 383 N -1.52 3.40 -2.10 -1.84 0.00 -0.79 -0.71 120.51 116.95 1wut n ALA 383 Ca 0.03 -0.41 -0.42 0.00 0.00 0.00 0.00 53.44 52.64 1wut n ALA 383 Cb 0.15 -0.96 -0.03 0.00 0.00 0.00 0.00 19.45 18.61 1wut n ALA 383 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1wut s LEU 384 N -3.96 4.40 -0.39 0.00 2.01 -0.72 -4.35 118.68 115.67 1wut s LEU 384 Ca 0.03 2.34 -0.26 0.00 0.01 0.00 0.00 54.13 56.25 1wut s LEU 384 Cb 0.14 -3.60 0.02 0.00 0.01 0.00 0.00 46.19 42.76 1wut s LEU 384 CO 0.81 -0.56 0.94 -1.61 1.01 0.00 0.00 176.35 176.93 1wut s GLU 385 N 0.43 3.78 -0.37 1.70 2.02 -1.26 -4.78 118.70 120.23 1wut s GLU 385 Ca 0.60 0.51 0.01 0.00 0.02 0.00 0.00 54.97 56.10 1wut s GLU 385 Cb -0.36 -3.83 0.11 0.00 0.10 0.00 0.00 34.13 30.16 1wut s GLU 385 CO 0.34 -1.02 0.15 1.03 0.02 0.00 0.00 175.26 175.79 1wut s ARG 386 N 3.58 1.02 -0.13 1.61 0.52 -1.26 -1.87 118.95 122.42 1wut s ARG 386 Ca 0.38 -1.54 -0.26 0.00 -0.52 0.00 0.00 55.73 53.80 1wut s ARG 386 Cb -0.11 -2.25 -0.02 0.00 0.52 0.00 0.00 34.95 33.08 1wut s ARG 386 CO 0.21 -1.05 0.85 -1.58 0.02 0.00 0.00 175.30 173.74 1wut s TRP 387 N 1.03 3.48 0.26 -0.53 0.52 -0.90 -4.72 118.94 118.08 1wut s TRP 387 Ca 0.13 1.34 -0.30 0.00 0.02 0.00 0.00 56.10 57.29 1wut s TRP 387 Cb -0.20 -3.02 -0.13 0.00 -1.15 0.00 0.00 33.47 28.97 1wut s TRP 387 CO -0.13 -0.17 1.37 -2.30 0.02 0.00 0.00 176.95 175.74 1wut n PRO 388 N 4.86 2.03 -0.13 4.98 -0.02 -1.26 -0.93 135.00 144.53 1wut n PRO 388 Ca 0.04 0.72 0.01 0.00 -2.02 0.00 0.00 63.50 62.25 1wut n PRO 388 Cb 0.49 -2.35 0.29 0.00 -0.02 0.00 0.00 33.50 31.91 1wut n PRO 388 CO 0.00 0.00 0.00 0.28 1.98 0.00 0.00 175.50 177.76 1wut h VAL 389 N 2.90 1.18 0.00 -1.45 2.07 -1.38 -2.24 116.25 117.32 1wut h VAL 389 Ca -0.45 -0.40 -0.02 0.00 0.82 0.00 0.00 66.70 66.65 1wut h VAL 389 Cb 1.28 0.33 -0.00 0.00 -1.52 0.00 0.00 31.29 31.38 1wut h VAL 389 CO 0.72 0.19 -0.09 1.12 0.02 0.00 0.00 177.57 179.53 1wut h HIS 390 N 0.84 0.00 -0.04 1.57 2.07 -1.90 0.68 115.15 118.37 1wut h HIS 390 Ca 0.22 0.00 -0.04 0.00 -2.85 0.00 0.00 60.37 57.70 1wut h HIS 390 Cb -0.02 0.00 0.00 0.00 2.57 0.00 0.00 27.41 29.96 1wut h HIS 390 CO 0.00 0.09 -0.13 -0.07 -3.07 0.00 0.00 177.93 174.75 1wut h LEU 391 N 0.00 0.17 -1.19 6.12 3.38 -1.77 -2.76 115.31 119.26 1wut h LEU 391 Ca -0.00 -0.63 -0.08 0.00 0.09 0.00 0.00 57.88 57.26 1wut h LEU 391 Cb 0.19 -0.05 -0.01 0.00 0.09 0.00 0.00 40.66 40.88 1wut h LEU 391 CO 0.01 0.78 -0.26 -0.07 0.09 0.00 0.00 178.44 178.99 1wut h LEU 392 N -0.42 0.23 -1.04 1.67 3.38 -1.40 -1.87 115.31 115.86 1wut h LEU 392 Ca -0.01 -0.07 -0.04 0.00 0.09 0.00 0.00 57.88 57.85 1wut h LEU 392 Cb 0.76 -0.06 -0.03 0.00 0.09 0.00 0.00 40.66 41.42 1wut h LEU 392 CO 0.03 0.50 0.21 -0.08 0.09 0.00 0.00 178.44 179.18 1wut h GLU 393 N 0.21 0.90 0.07 1.13 4.81 -0.87 -0.34 114.58 120.49 1wut h GLU 393 Ca 0.03 -0.16 -0.22 0.00 -0.13 0.00 0.00 59.36 58.89 1wut h GLU 393 Cb 0.57 -0.15 -0.01 0.00 0.63 0.00 0.00 28.75 29.80 1wut h GLU 393 CO 0.04 0.76 -1.14 1.15 -0.73 0.00 0.00 179.01 179.09 1wut h THR 394 N 0.87 1.13 0.22 0.32 2.02 -1.24 -3.33 112.91 112.91 1wut h THR 394 Ca 0.20 -2.34 -0.30 0.00 0.77 0.00 0.00 66.41 64.74 1wut h THR 394 Cb 0.22 2.71 0.03 0.00 -1.74 0.00 0.00 68.15 69.38 1wut h THR 394 CO -0.01 0.59 -1.32 0.25 0.37 0.00 0.00 175.52 175.41 1wut h LEU 395 N -0.59 0.74 -5.99 2.58 5.85 -1.40 -3.38 115.31 113.13 1wut h LEU 395 Ca -0.26 -0.93 -0.56 0.00 0.84 0.00 0.00 57.88 56.97 1wut h LEU 395 Cb 1.52 -0.24 -0.40 0.00 0.37 0.00 0.00 40.66 41.91 1wut h LEU 395 CO -0.02 1.63 -0.96 0.18 -0.34 0.00 0.00 178.44 178.93 1wut n LEU 396 N -3.83 1.49 -0.27 2.25 4.77 -0.15 0.13 117.00 121.40 1wut n LEU 396 Ca -0.16 -5.01 0.07 0.00 -0.03 0.00 0.00 56.01 50.88 1wut n LEU 396 Cb 1.03 0.25 0.21 0.00 -2.33 0.00 0.00 43.42 42.58 1wut n LEU 396 CO 0.57 2.13 1.00 1.55 -1.33 0.00 0.00 177.39 181.31 1wut h PRO 397 N 3.79 0.37 -0.22 3.23 0.13 -1.65 -1.93 132.00 135.73 1wut h PRO 397 Ca 0.11 -0.02 -0.13 0.00 -0.87 0.00 0.00 66.00 65.09 1wut h PRO 397 Cb 0.81 -0.08 -0.01 0.00 0.13 0.00 0.00 31.00 31.85 1wut h PRO 397 CO 0.59 0.25 -0.42 -0.09 -0.23 0.00 0.00 178.00 178.09 1wut h ARG 398 N 0.38 0.53 -0.30 0.86 9.65 -1.92 -2.97 114.38 120.62 1wut h ARG 398 Ca 0.45 -0.27 -0.07 0.00 -1.10 0.00 0.00 59.98 58.98 1wut h ARG 398 Cb 0.76 0.01 -0.02 0.00 -1.39 0.00 0.00 29.97 29.33 1wut h ARG 398 CO -0.47 0.86 -0.12 0.45 2.80 0.00 0.00 179.97 183.49 1wut h HIS 399 N 0.43 0.54 -0.48 2.20 3.86 -1.71 -1.91 115.15 118.08 1wut h HIS 399 Ca 0.03 -0.08 -0.10 0.00 -1.16 0.00 0.00 60.37 59.06 1wut h HIS 399 Cb 0.92 -0.14 -0.02 0.00 1.06 0.00 0.00 27.41 29.22 1wut h HIS 399 CO 0.03 0.61 -0.10 1.25 0.86 0.00 0.00 177.93 180.58 1wut h LEU 400 N 0.46 0.87 -0.51 2.43 6.46 -1.35 -0.70 115.31 122.98 1wut h LEU 400 Ca 0.09 -0.27 -0.04 0.00 -0.12 0.00 0.00 57.88 57.54 1wut h LEU 400 Cb 0.49 -0.24 -0.02 0.00 -0.73 0.00 0.00 40.66 40.16 1wut h LEU 400 CO 0.03 0.99 0.18 1.56 -0.62 0.00 0.00 178.44 180.58 1wut h GLN 401 N 0.79 0.78 -0.41 1.25 4.20 -1.31 -1.53 115.11 118.88 1wut h GLN 401 Ca 0.13 -0.15 -0.09 0.00 0.06 0.00 0.00 58.65 58.60 1wut h GLN 401 Cb 0.62 -0.12 -0.02 0.00 0.30 0.00 0.00 27.48 28.26 1wut h GLN 401 CO 0.04 0.71 -0.10 0.82 -0.67 0.00 0.00 178.83 179.63 1wut h ILE 402 N 0.69 1.25 -0.44 2.54 2.04 -1.09 -1.92 117.51 120.59 1wut h ILE 402 Ca 0.17 -1.12 -0.11 0.00 1.00 0.00 0.00 64.86 64.80 1wut h ILE 402 Cb 0.24 1.05 -0.02 0.00 -0.74 0.00 0.00 36.82 37.35 1wut h ILE 402 CO -0.01 0.38 -0.16 0.40 0.00 0.00 0.00 178.15 178.76 1wut h ILE 403 N 0.66 1.27 -0.62 -0.67 2.04 -0.86 0.04 117.51 119.37 1wut h ILE 403 Ca 0.12 -1.26 -0.10 0.00 1.00 0.00 0.00 64.86 64.62 1wut h ILE 403 Cb 0.56 1.10 -0.02 0.00 -0.74 0.00 0.00 36.82 37.71 1wut h ILE 403 CO 0.03 0.43 0.01 1.88 0.00 0.00 0.00 178.15 180.51 1wut h TYR 404 N 0.74 1.18 -0.31 1.37 0.05 -1.05 -0.17 116.97 118.78 1wut h TYR 404 Ca 0.11 -0.20 -0.14 0.00 0.05 0.00 0.00 58.73 58.56 1wut h TYR 404 Cb 0.67 -0.31 -0.01 0.00 1.01 0.00 0.00 36.73 38.09 1wut h TYR 404 CO 0.04 1.03 -0.37 1.49 -1.05 0.00 0.00 178.16 179.30 1wut h GLU 405 N 0.99 0.71 -0.29 4.88 4.57 -1.12 -0.24 114.58 124.08 1wut h GLU 405 Ca 0.18 -0.35 -0.05 0.00 -1.18 0.00 0.00 59.36 57.96 1wut h GLU 405 Cb 0.55 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 29.13 1wut h GLU 405 CO 0.03 0.96 -0.00 0.82 -1.18 0.00 0.00 179.01 179.64 1wut h ILE 406 N 0.59 1.26 -0.49 2.32 2.04 -0.74 -2.53 117.51 119.96 1wut h ILE 406 Ca 0.06 -0.94 0.01 0.00 1.00 0.00 0.00 64.86 64.99 1wut h ILE 406 Cb 0.90 1.30 -0.03 0.00 -0.74 0.00 0.00 36.82 38.25 1wut h ILE 406 CO 0.08 0.30 0.31 -1.13 0.00 0.00 0.00 178.15 177.71 1wut h ASN 407 N 0.30 0.54 -0.31 1.72 -1.24 -0.88 -1.06 115.58 114.65 1wut h ASN 407 Ca 0.08 -0.01 0.04 0.00 0.71 0.00 0.00 56.30 57.13 1wut h ASN 407 Cb 0.43 -0.13 -0.04 0.00 0.73 0.00 0.00 38.32 39.31 1wut h ASN 407 CO 0.02 0.39 0.06 -0.61 -1.29 0.00 0.00 177.43 175.99 1wut h GLN 408 N 0.64 0.16 -0.10 6.67 4.15 -0.93 -0.18 115.11 125.52 1wut h GLN 408 Ca 0.18 -0.01 -0.15 0.00 0.77 0.00 0.00 58.65 59.44 1wut h GLN 408 Cb -0.05 -0.04 -0.01 0.00 0.21 0.00 0.00 27.48 27.59 1wut h GLN 408 CO -0.05 0.11 -0.58 0.00 -1.93 0.00 0.00 178.83 176.37 1wut h ARG 409 N 0.17 0.32 -0.06 1.69 3.08 -1.26 -2.70 114.38 115.62 1wut h ARG 409 Ca 0.14 -0.21 -0.02 0.00 0.07 0.00 0.00 59.98 59.97 1wut h ARG 409 Cb 0.15 0.03 -0.00 0.00 0.08 0.00 0.00 29.97 30.23 1wut h ARG 409 CO -0.19 0.81 -0.03 0.35 -1.07 0.00 0.00 179.97 179.84 1wut h PHE 410 N 0.24 0.13 0.00 3.04 3.57 -0.86 -2.65 116.94 120.41 1wut h PHE 410 Ca -0.00 -0.03 -0.02 0.00 3.53 0.00 0.00 57.97 61.44 1wut h PHE 410 Cb 1.09 -0.03 -0.00 0.00 2.79 0.00 0.00 35.95 39.80 1wut h PHE 410 CO 0.03 0.50 -0.09 -0.07 -2.23 0.00 0.00 178.31 176.44 1wut h LEU 411 N -0.27 0.00 -0.95 0.59 3.38 -1.06 0.11 115.31 117.11 1wut h LEU 411 Ca 0.01 0.00 -0.10 0.00 0.09 0.00 0.00 57.88 57.88 1wut h LEU 411 Cb 0.47 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.20 1wut h LEU 411 CO 0.01 0.09 -0.31 0.78 0.09 0.00 0.00 178.44 179.10 1wut h ASN 412 N 0.00 0.40 -0.38 -0.43 -0.26 -1.33 0.15 115.58 113.74 1wut h ASN 412 Ca -0.00 -0.15 -0.08 0.00 -0.56 0.00 0.00 56.30 55.52 1wut h ASN 412 Cb 0.18 -0.11 -0.01 0.00 -1.06 0.00 0.00 38.32 37.32 1wut h ASN 412 CO 0.01 0.70 -0.06 0.03 -1.06 0.00 0.00 177.43 177.05 1wut h ARG 413 N 0.34 0.71 0.07 0.81 3.08 -0.46 -1.95 114.38 116.99 1wut h ARG 413 Ca 0.05 -0.25 -0.00 0.00 0.07 0.00 0.00 59.98 59.84 1wut h ARG 413 Cb 0.71 -0.05 0.00 0.00 0.08 0.00 0.00 29.97 30.72 1wut h ARG 413 CO 0.05 0.84 -0.04 0.28 -1.07 0.00 0.00 179.97 180.04 1wut h VAL 414 N 0.52 1.00 -0.86 2.04 2.07 -0.81 -1.81 116.25 118.40 1wut h VAL 414 Ca 0.10 -0.27 0.09 0.00 0.82 0.00 0.00 66.70 67.44 1wut h VAL 414 Cb 0.56 1.18 -0.07 0.00 -1.52 0.00 0.00 31.29 31.43 1wut h VAL 414 CO 0.03 0.07 0.51 0.00 0.02 0.00 0.00 177.57 178.20 1wut h ALA 415 N 0.70 1.21 -0.35 1.67 0.00 -0.94 0.33 119.26 121.88 1wut h ALA 415 Ca -0.01 0.02 -0.06 0.00 0.00 0.00 0.00 54.91 54.86 1wut h ALA 415 Cb 0.19 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.78 1wut h ALA 415 CO 0.02 0.17 -0.03 0.00 0.00 0.00 0.00 179.25 179.41 1wut h ALA 416 N 1.45 1.30 0.12 0.00 0.00 -1.10 -2.49 119.26 118.53 1wut h ALA 416 Ca 0.40 -0.23 -0.28 0.00 0.00 0.00 0.00 54.91 54.80 1wut h ALA 416 Cb 0.31 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 17.95 1wut h ALA 416 CO -0.22 0.47 -1.31 0.00 0.00 0.00 0.00 179.25 178.18 1wut h ALA 417 N 1.44 0.17 -2.26 0.00 0.00 -0.27 -3.39 119.26 114.96 1wut h ALA 417 Ca 0.11 -0.96 -0.59 0.00 0.00 0.00 0.00 54.91 53.47 1wut h ALA 417 Cb 0.39 0.08 -0.41 0.00 0.00 0.00 0.00 17.79 17.85 1wut h ALA 417 CO 0.02 1.05 -0.75 1.19 0.00 0.00 0.00 179.25 180.76 1wut n PHE 418 N -3.49 2.30 -1.69 0.00 3.72 0.10 -5.09 117.46 113.31 1wut n PHE 418 Ca -0.10 -3.97 -0.53 0.00 -0.05 0.00 0.00 57.45 52.80 1wut n PHE 418 Cb 1.02 -0.47 -0.06 0.00 -0.94 0.00 0.00 39.48 39.04 1wut n PHE 418 CO 0.00 0.00 0.00 -2.30 -0.05 0.00 0.00 176.76 174.41 1wut n PRO 419 N 1.24 1.67 -0.12 -1.08 -0.02 -0.95 -1.74 135.00 134.00 1wut n PRO 419 Ca 0.26 0.61 0.00 0.00 -2.02 0.00 0.00 63.50 62.36 1wut n PRO 419 Cb 0.44 -2.37 0.00 0.00 -0.02 0.00 0.00 33.50 31.55 1wut n PRO 419 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1wut n GLY 420 N 4.20 1.96 3.09 -1.23 0.00 -1.26 -4.95 105.19 107.00 1wut n GLY 420 Ca 0.24 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.84 1wut n GLY 420 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1wut n ASP 421 N 0.00 4.30 0.24 1.61 4.64 -0.71 -4.76 116.55 121.86 1wut n ASP 421 Ca 0.00 -2.87 0.07 0.00 -1.38 0.00 0.00 54.79 50.61 1wut n ASP 421 Cb 0.00 -1.69 0.57 0.00 -1.04 0.00 0.00 41.12 38.96 1wut n ASP 421 CO 0.00 0.00 0.00 1.62 -0.82 0.00 0.00 177.20 178.00 1wut h VAL 422 N 4.67 1.00 0.00 5.18 3.04 -1.92 -2.64 116.25 125.58 1wut h VAL 422 Ca 0.52 -0.51 -0.18 0.00 -1.01 0.00 0.00 66.70 65.52 1wut h VAL 422 Cb 0.74 1.28 -0.03 0.00 -2.01 0.00 0.00 31.29 31.27 1wut h VAL 422 CO 1.71 0.14 -0.85 -0.78 -1.01 0.00 0.00 177.57 176.78 1wut h ASP 423 N 0.00 0.00 -0.33 3.17 3.58 -1.99 -3.10 116.42 117.74 1wut h ASP 423 Ca -0.00 0.00 -0.08 0.00 0.42 0.00 0.00 57.03 57.37 1wut h ASP 423 Cb 0.27 0.00 -0.02 0.00 1.72 0.00 0.00 39.33 41.30 1wut h ASP 423 CO 0.02 0.85 -0.05 -0.09 -2.88 0.00 0.00 179.24 177.08 1wut h ARG 424 N 0.00 0.73 -0.29 0.28 2.43 -1.88 -2.42 114.38 113.23 1wut h ARG 424 Ca -0.01 -0.21 0.01 0.00 -0.81 0.00 0.00 59.98 58.96 1wut h ARG 424 Cb 1.50 -0.08 -0.02 0.00 -0.42 0.00 0.00 29.97 30.96 1wut h ARG 424 CO 0.11 0.77 0.18 -0.07 -1.51 0.00 0.00 179.97 179.45 1wut h LEU 425 N 0.67 0.30 -0.71 3.80 4.07 -1.45 -1.11 115.31 120.88 1wut h LEU 425 Ca 0.13 -0.00 -0.12 0.00 0.08 0.00 0.00 57.88 57.97 1wut h LEU 425 Cb 0.49 -0.07 -0.02 0.00 1.08 0.00 0.00 40.66 42.15 1wut h LEU 425 CO 0.03 0.22 -0.55 0.08 -1.08 0.00 0.00 178.44 177.13 1wut h ARG 426 N 0.36 0.00 -0.11 1.13 -0.00 -1.55 -2.54 114.38 111.68 1wut h ARG 426 Ca 0.11 0.00 -0.16 0.00 -0.00 0.00 0.00 59.98 59.93 1wut h ARG 426 Cb -0.02 0.00 -0.01 0.00 -0.00 0.00 0.00 29.97 29.94 1wut h ARG 426 CO -0.04 0.55 -0.61 0.00 -0.00 0.00 0.00 179.97 179.87 1wut h ARG 427 N 0.00 0.38 0.00 0.08 3.08 -1.13 -3.22 114.38 113.56 1wut h ARG 427 Ca -0.01 -0.26 0.00 0.00 0.07 0.00 0.00 59.98 59.78 1wut h ARG 427 Cb 1.10 0.04 0.00 0.00 0.08 0.00 0.00 29.97 31.19 1wut h ARG 427 CO 0.07 0.87 -0.60 -1.33 -1.07 0.00 0.00 179.97 177.92 1wut n MET 428 N -3.89 0.20 -1.64 0.04 2.81 -0.45 -4.96 117.12 109.23 1wut n MET 428 Ca -0.03 0.05 -0.40 0.00 -1.81 0.00 0.00 57.70 55.51 1wut n MET 428 Cb 0.63 -1.62 0.02 0.00 -0.71 0.00 0.00 33.22 31.54 1wut n MET 428 CO 0.00 0.00 0.00 0.45 1.51 0.00 0.00 175.97 177.93 1wut n SER 429 N -1.90 1.52 0.20 7.83 2.88 -0.96 -4.88 113.62 118.31 1wut n SER 429 Ca 0.04 1.01 0.09 0.00 -1.33 0.00 0.00 58.87 58.68 1wut n SER 429 Cb 0.41 -1.40 0.20 0.00 -0.75 0.00 0.00 64.21 62.66 1wut n SER 429 CO 0.00 0.00 0.00 -0.07 -1.23 0.00 0.00 175.04 173.74 1wut h LEU 430 N 1.48 0.00 -8.91 2.46 3.38 -1.92 -3.43 115.31 108.37 1wut h LEU 430 Ca -0.46 0.00 -0.64 0.00 0.09 0.00 0.00 57.88 56.87 1wut h LEU 430 Cb 1.33 0.00 -0.17 0.00 0.09 0.00 0.00 40.66 41.91 1wut h LEU 430 CO 0.56 0.21 -0.49 -0.69 0.09 0.00 0.00 178.44 178.12 1wut s VAL 431 N -3.22 5.30 -0.24 1.22 1.01 -1.26 0.59 120.40 123.80 1wut s VAL 431 Ca 0.05 0.21 -0.11 0.00 0.00 0.00 0.00 61.98 62.13 1wut s VAL 431 Cb 0.07 -3.55 -0.05 0.00 0.00 0.00 0.00 36.38 32.85 1wut s VAL 431 CO 0.68 0.24 0.18 -1.61 0.00 0.00 0.00 175.10 174.60 1wut s GLU 432 N 1.76 4.08 0.52 2.72 2.02 0.33 -4.95 118.70 125.18 1wut s GLU 432 Ca 0.08 -0.23 -0.05 0.00 0.02 0.00 0.00 54.97 54.79 1wut s GLU 432 Cb -0.16 -3.54 -0.01 0.00 0.10 0.00 0.00 34.13 30.52 1wut s GLU 432 CO 0.11 0.06 0.82 -2.00 0.02 0.00 0.00 175.26 174.26 1wut s GLU 433 N 1.06 3.20 0.00 1.61 2.56 -1.26 -1.74 118.70 124.12 1wut s GLU 433 Ca 0.08 0.01 0.00 0.00 0.00 0.00 0.00 54.97 55.06 1wut s GLU 433 Cb -0.14 -2.36 0.00 0.00 2.00 0.00 0.00 34.13 33.64 1wut s GLU 433 CO 0.05 -0.43 0.00 0.41 -0.56 0.00 0.00 175.26 174.72 1wut n GLY 434 N -2.38 0.73 0.00 -1.50 0.00 -1.26 -4.92 105.19 95.86 1wut n GLY 434 Ca 0.02 -1.63 0.00 0.00 0.00 0.00 0.00 46.02 44.41 1wut n GLY 434 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1wut n ALA 435 N -0.94 0.00 -2.42 4.61 0.00 -1.26 -4.33 120.51 116.17 1wut n ALA 435 Ca 0.00 0.00 -0.27 0.00 0.00 0.00 0.00 53.44 53.17 1wut n ALA 435 Cb 0.00 0.35 -0.15 0.00 0.00 0.00 0.00 19.45 19.65 1wut n ALA 435 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.50 177.64 1wut s VAL 436 N -2.67 1.80 0.41 0.00 -7.23 -1.26 -5.11 120.40 106.33 1wut s VAL 436 Ca 0.00 -1.14 -0.25 0.00 -1.81 0.00 0.00 61.98 58.78 1wut s VAL 436 Cb 0.00 -1.53 -0.08 0.00 0.56 0.00 0.00 36.38 35.33 1wut s VAL 436 CO 0.00 0.35 1.16 -0.54 -0.31 0.00 0.00 175.10 175.76 1wut s LYS 437 N -0.94 4.03 0.15 4.82 1.02 -1.26 -4.82 119.74 122.75 1wut s LYS 437 Ca 0.09 1.80 0.01 0.00 0.02 0.00 0.00 55.97 57.88 1wut s LYS 437 Cb -0.09 -2.63 -0.04 0.00 -0.52 0.00 0.00 37.83 34.55 1wut s LYS 437 CO 0.01 -0.33 0.01 1.03 -0.92 0.00 0.00 175.35 175.15 1wut s ARG 438 N -2.36 1.03 -0.19 1.68 0.52 -0.71 -0.98 118.95 117.93 1wut s ARG 438 Ca 0.58 -1.49 -0.03 0.00 -0.52 0.00 0.00 55.73 54.28 1wut s ARG 438 Cb -0.30 -0.11 -0.01 0.00 0.52 0.00 0.00 34.95 35.06 1wut s ARG 438 CO 0.37 -0.16 -0.08 0.42 0.02 0.00 0.00 175.30 175.87 1wut s ILE 439 N -3.77 3.19 -0.68 1.52 -1.09 -0.10 -0.52 121.20 119.75 1wut s ILE 439 Ca 0.23 -0.57 -0.26 0.00 -2.23 0.00 0.00 60.65 57.82 1wut s ILE 439 Cb 0.06 -2.42 0.04 0.00 -1.58 0.00 0.00 42.46 38.57 1wut s ILE 439 CO 0.02 0.46 1.16 0.21 -1.23 0.00 0.00 174.94 175.56 1wut s ASN 440 N 1.18 6.22 0.51 3.58 3.84 0.20 -2.11 114.94 128.36 1wut s ASN 440 Ca 0.02 -0.49 0.16 0.00 0.21 0.00 0.00 52.86 52.76 1wut s ASN 440 Cb -0.14 -2.51 1.25 0.00 -0.55 0.00 0.00 41.25 39.29 1wut s ASN 440 CO -0.02 -1.63 2.13 0.24 -2.79 0.00 0.00 177.10 175.03 1wut h MET 441 N 9.77 0.00 -0.36 0.43 2.86 -1.67 -2.00 114.93 123.97 1wut h MET 441 Ca -0.28 0.00 -0.09 0.00 -2.06 0.00 0.00 59.70 57.27 1wut h MET 441 Cb 1.06 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 32.70 1wut h MET 441 CO 1.22 0.03 -0.17 0.00 1.06 0.00 0.00 176.91 179.06 1wut h ALA 442 N 1.97 1.04 -0.11 6.32 0.00 -1.90 -1.73 119.26 124.85 1wut h ALA 442 Ca -0.00 -0.33 -0.12 0.00 0.00 0.00 0.00 54.91 54.46 1wut h ALA 442 Cb 0.05 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.68 1wut h ALA 442 CO 0.00 0.58 -0.47 0.45 0.00 0.00 0.00 179.25 179.82 1wut h HIS 443 N 0.59 0.31 -0.15 0.00 3.86 -1.75 -2.42 115.15 115.60 1wut h HIS 443 Ca 0.10 -0.09 -0.01 0.00 -1.16 0.00 0.00 60.37 59.20 1wut h HIS 443 Cb 0.62 -0.07 -0.01 0.00 1.06 0.00 0.00 27.41 29.02 1wut h HIS 443 CO 0.03 0.68 0.06 1.25 0.86 0.00 0.00 177.93 180.81 1wut h LEU 444 N 0.21 0.21 -0.66 2.43 6.46 -1.15 -2.25 115.31 120.56 1wut h LEU 444 Ca 0.01 -0.17 -0.01 0.00 -0.12 0.00 0.00 57.88 57.59 1wut h LEU 444 Cb 0.91 -0.05 -0.03 0.00 -0.73 0.00 0.00 40.66 40.75 1wut h LEU 444 CO 0.07 0.32 0.37 0.00 -0.62 0.00 0.00 178.44 178.59 1wut h ILE 446 N 0.90 1.22 -0.60 0.00 2.04 -1.40 -1.78 117.51 117.90 1wut h ILE 446 Ca 0.23 -0.76 -0.07 0.00 1.00 0.00 0.00 64.86 65.27 1wut h ILE 446 Cb 0.03 0.99 -0.03 0.00 -0.74 0.00 0.00 36.82 37.07 1wut h ILE 446 CO -0.04 0.26 0.09 0.00 0.00 0.00 0.00 178.15 178.47 1wut h ALA 447 N 0.95 1.02 -0.52 1.87 0.00 -1.19 -3.17 119.26 118.22 1wut h ALA 447 Ca 0.12 -0.26 0.00 0.00 0.00 0.00 0.00 54.91 54.78 1wut h ALA 447 Cb 0.30 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 17.85 1wut h ALA 447 CO 0.00 0.62 0.00 0.41 0.00 0.00 0.00 179.25 180.28 1wut n GLY 448 N -0.66 1.63 3.42 0.00 0.00 -0.49 -4.92 105.19 104.16 1wut n GLY 448 Ca 0.04 -0.64 -0.30 0.00 0.00 0.00 0.00 46.02 45.12 1wut n GLY 448 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1wut s SER 449 N -1.15 3.52 0.00 1.61 0.01 -0.68 -3.79 113.70 113.22 1wut s SER 449 Ca 0.39 -0.60 0.28 0.00 1.31 0.00 0.00 55.95 57.33 1wut s SER 449 Cb 0.21 -0.40 1.02 0.00 0.21 0.00 0.00 66.02 67.06 1wut s SER 449 CO 0.28 0.21 1.73 0.00 0.41 0.00 0.00 173.24 175.87 1wut n HIS 450 N 1.22 0.00 -3.69 2.43 1.44 -0.36 -4.85 115.22 111.41 1wut n HIS 450 Ca -0.17 0.00 -0.13 0.00 -2.01 0.00 0.00 57.72 55.42 1wut n HIS 450 Cb 0.52 -0.09 -0.09 0.00 0.12 0.00 0.00 29.99 30.45 1wut n HIS 450 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 1wut s ALA 451 N -2.31 -1.28 -0.07 1.59 0.00 -1.26 -4.59 121.76 113.85 1wut s ALA 451 Ca 0.31 1.52 0.01 0.00 0.00 0.00 0.00 51.96 53.80 1wut s ALA 451 Cb 0.20 -0.89 0.02 0.00 0.00 0.00 0.00 23.12 22.45 1wut s ALA 451 CO 0.44 -0.25 -0.07 0.08 0.00 0.00 0.00 175.76 175.95 1wut s VAL 452 N 0.52 0.85 0.14 0.00 1.01 0.14 -1.10 120.40 121.95 1wut s VAL 452 Ca -0.02 -0.26 0.06 0.00 0.00 0.00 0.00 61.98 61.76 1wut s VAL 452 Cb -0.04 -0.84 -0.04 0.00 0.00 0.00 0.00 36.38 35.45 1wut s VAL 452 CO -0.03 0.31 -0.14 0.54 0.00 0.00 0.00 175.10 175.78 1wut s ASN 453 N 1.14 2.13 0.49 3.32 4.22 -0.75 -0.61 114.94 124.88 1wut s ASN 453 Ca -0.07 -0.88 0.07 0.00 -2.14 0.00 0.00 52.86 49.85 1wut s ASN 453 Cb -0.14 -0.08 0.04 0.00 1.28 0.00 0.00 41.25 42.34 1wut s ASN 453 CO -0.01 -0.16 0.67 -0.83 -2.04 0.00 0.00 177.10 174.72 1wut s GLY 454 N -2.71 1.87 0.00 0.45 0.00 -0.95 -1.64 107.32 104.34 1wut s GLY 454 Ca 0.13 -1.74 0.16 0.00 0.00 0.00 0.00 44.72 43.27 1wut s GLY 454 CO 0.04 -1.47 1.18 3.33 0.00 0.00 0.00 173.10 176.18 1wut n VAL 455 N -2.05 0.45 -3.55 1.40 0.24 -1.26 -2.25 118.33 111.31 1wut n VAL 455 Ca 0.10 -0.73 -0.15 0.00 -2.04 0.00 0.00 64.34 61.52 1wut n VAL 455 Cb 0.60 0.96 -0.06 0.00 -1.47 0.00 0.00 33.84 33.87 1wut n VAL 455 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1wut s ALA 456 N -1.20 -1.82 0.21 2.33 0.00 -1.26 -1.06 121.76 118.96 1wut s ALA 456 Ca 0.26 1.48 -0.12 0.00 0.00 0.00 0.00 51.96 53.57 1wut s ALA 456 Cb 0.15 -0.36 0.27 0.00 0.00 0.00 0.00 23.12 23.18 1wut s ALA 456 CO 0.22 -0.34 1.64 -0.09 0.00 0.00 0.00 175.76 177.18 1wut h ARG 457 N 3.11 0.04 -0.44 0.00 2.43 -1.90 0.69 114.38 118.31 1wut h ARG 457 Ca -0.25 -0.00 -0.09 0.00 -0.81 0.00 0.00 59.98 58.82 1wut h ARG 457 Cb 1.15 -0.01 -0.02 0.00 -0.42 0.00 0.00 29.97 30.67 1wut h ARG 457 CO 0.33 0.03 -0.11 0.97 -1.51 0.00 0.00 179.97 179.67 1wut h ILE 458 N 0.04 1.26 -0.56 1.20 2.10 -1.90 -1.84 117.51 117.80 1wut h ILE 458 Ca 0.32 -1.17 -0.11 0.00 1.08 0.00 0.00 64.86 64.97 1wut h ILE 458 Cb 0.50 1.03 -0.02 0.00 -1.09 0.00 0.00 36.82 37.25 1wut h ILE 458 CO -0.61 0.40 -0.08 -0.74 -1.08 0.00 0.00 178.15 176.04 1wut h HIS 459 N 0.72 1.16 -0.11 2.19 2.76 -1.53 -1.40 115.15 118.94 1wut h HIS 459 Ca 0.12 -0.23 -0.07 0.00 -2.20 0.00 0.00 60.37 57.99 1wut h HIS 459 Cb 0.59 -0.29 -0.01 0.00 1.55 0.00 0.00 27.41 29.25 1wut h HIS 459 CO 0.03 1.06 -0.25 0.77 -1.30 0.00 0.00 177.93 178.24 1wut h SER 460 N 0.93 0.20 0.01 3.26 0.02 -0.69 -1.59 113.55 115.69 1wut h SER 460 Ca 0.15 -0.06 -0.24 0.00 -0.84 0.00 0.00 61.79 60.80 1wut h SER 460 Cb 0.65 -0.05 0.01 0.00 0.14 0.00 0.00 62.40 63.15 1wut h SER 460 CO 0.04 0.46 -0.91 -0.33 -1.14 0.00 0.00 176.83 174.95 1wut h GLU 461 N 0.18 0.68 -0.54 3.45 4.39 -1.05 -3.06 114.58 118.63 1wut h GLU 461 Ca 0.03 -0.65 -0.02 0.00 0.34 0.00 0.00 59.36 59.06 1wut h GLU 461 Cb 0.55 0.16 -0.03 0.00 -0.10 0.00 0.00 28.75 29.34 1wut h GLU 461 CO 0.04 1.25 0.23 0.82 -1.16 0.00 0.00 179.01 180.19 1wut h ILE 462 N 0.42 1.19 -0.67 3.13 2.04 -0.96 -0.62 117.51 122.04 1wut h ILE 462 Ca -0.09 -0.57 -0.02 0.00 1.00 0.00 0.00 64.86 65.19 1wut h ILE 462 Cb 1.55 0.53 -0.03 0.00 -0.74 0.00 0.00 36.82 38.12 1wut h ILE 462 CO 0.18 0.23 0.35 -0.07 0.00 0.00 0.00 178.15 178.84 1wut h LEU 463 N 0.77 0.85 -0.41 1.44 3.38 -1.22 0.37 115.31 120.48 1wut h LEU 463 Ca 0.19 -0.11 -0.18 0.00 0.09 0.00 0.00 57.88 57.86 1wut h LEU 463 Cb 0.12 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 40.65 1wut h LEU 463 CO -0.02 0.72 -0.75 0.11 0.09 0.00 0.00 178.44 178.58 1wut h LYS 464 N 0.92 0.33 0.07 1.13 1.57 -1.34 0.46 116.57 119.71 1wut h LYS 464 Ca 0.23 -0.29 -0.29 0.00 -1.87 0.00 0.00 60.65 58.44 1wut h LYS 464 Cb 0.07 0.06 -0.02 0.00 0.08 0.00 0.00 32.23 32.42 1wut h LYS 464 CO -0.03 0.94 -1.49 0.87 -0.57 0.00 0.00 179.45 179.17 1wut h LYS 465 N 0.22 0.14 0.00 3.15 1.57 -0.97 -3.33 116.57 117.36 1wut h LYS 465 Ca -0.03 -0.24 0.00 0.00 -1.87 0.00 0.00 60.65 58.50 1wut h LYS 465 Cb 1.33 0.09 0.00 0.00 0.08 0.00 0.00 32.23 33.73 1wut h LYS 465 CO 0.12 0.95 0.00 2.41 -0.57 0.00 0.00 179.45 182.36 1wut n THR 466 N -3.34 0.00 -0.37 -0.16 -1.04 0.13 -4.71 114.28 104.79 1wut n THR 466 Ca -0.14 0.00 0.03 0.00 -2.04 0.00 0.00 64.05 61.90 1wut n THR 466 Cb 1.03 -0.04 0.10 0.00 -1.82 0.00 0.00 70.33 69.59 1wut n THR 466 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1wut n ILE 467 N 0.00 -0.46 -1.49 12.58 0.13 -1.24 -2.06 119.36 126.83 1wut n ILE 467 Ca 0.00 2.28 -0.05 0.00 -1.10 0.00 0.00 62.75 63.88 1wut n ILE 467 Cb 0.00 -3.09 0.19 0.00 -0.84 0.00 0.00 39.64 35.90 1wut n ILE 467 CO 0.00 0.00 0.00 0.49 2.80 0.00 0.00 176.55 179.84 1wut n PHE 468 N -5.54 1.11 -0.21 9.51 0.99 0.15 -4.79 117.46 118.68 1wut n PHE 468 Ca 0.13 -1.65 0.01 0.00 -0.00 0.00 0.00 57.45 55.95 1wut n PHE 468 Cb 0.45 -0.50 0.12 0.00 -1.00 0.00 0.00 39.48 38.56 1wut n PHE 468 CO 0.00 0.00 0.00 -0.22 -0.00 0.00 0.00 176.76 176.54 1wut h LYS 469 N 1.04 0.29 -0.70 -1.08 3.64 -1.39 -0.39 116.57 117.97 1wut h LYS 469 Ca 0.23 -0.02 -0.03 0.00 -1.27 0.00 0.00 60.65 59.56 1wut h LYS 469 Cb 1.63 -0.06 -0.03 0.00 -0.41 0.00 0.00 32.23 33.35 1wut h LYS 469 CO 0.40 0.19 0.33 -0.44 -2.27 0.00 0.00 179.45 177.66 1wut h ASP 470 N 0.30 0.91 -0.05 4.20 3.32 -1.86 -1.35 116.42 121.88 1wut h ASP 470 Ca 0.33 -0.10 -0.17 0.00 0.02 0.00 0.00 57.03 57.10 1wut h ASP 470 Cb 0.49 -0.23 -0.00 0.00 0.22 0.00 0.00 39.33 39.80 1wut h ASP 470 CO -0.40 0.78 -0.58 -0.26 -1.72 0.00 0.00 179.24 177.06 1wut h PHE 471 N 1.00 0.82 -0.70 4.55 0.04 -1.78 -2.35 116.94 118.51 1wut h PHE 471 Ca 0.24 -0.30 -0.06 0.00 2.80 0.00 0.00 57.97 60.65 1wut h PHE 471 Cb 0.11 -0.15 -0.03 0.00 2.20 0.00 0.00 35.95 38.08 1wut h PHE 471 CO 0.01 1.07 0.19 -0.92 -0.60 0.00 0.00 178.31 178.07 1wut h TYR 472 N 0.49 1.16 -0.30 -0.55 3.20 -0.71 -0.33 116.97 119.92 1wut h TYR 472 Ca 0.00 -0.13 -0.07 0.00 3.14 0.00 0.00 58.73 61.67 1wut h TYR 472 Cb 1.16 -0.33 -0.02 0.00 1.54 0.00 0.00 36.73 39.08 1wut h TYR 472 CO 0.06 0.93 -0.13 0.93 -1.64 0.00 0.00 178.16 178.31 1wut h GLU 473 N 1.05 0.52 0.02 1.82 5.08 -1.14 -1.24 114.58 120.68 1wut h GLU 473 Ca 0.22 -0.15 -0.00 0.00 -1.00 0.00 0.00 59.36 58.43 1wut h GLU 473 Cb 0.34 -0.05 0.00 0.00 0.50 0.00 0.00 28.75 29.54 1wut h GLU 473 CO -0.00 0.64 -0.01 1.25 -1.00 0.00 0.00 179.01 179.89 1wut h LEU 474 N 0.48 -0.02 -6.48 1.33 6.46 -1.04 -3.41 115.31 112.63 1wut h LEU 474 Ca 0.09 -0.58 -0.59 0.00 -0.12 0.00 0.00 57.88 56.68 1wut h LEU 474 Cb 0.51 0.00 -0.39 0.00 -0.73 0.00 0.00 40.66 40.06 1wut h LEU 474 CO 0.03 0.58 -0.92 -1.61 -0.62 0.00 0.00 178.44 175.90 1wut s GLU 475 N -3.79 1.04 0.49 1.25 2.02 -0.17 -4.98 118.70 114.56 1wut s GLU 475 Ca -0.16 -2.15 0.15 0.00 0.02 0.00 0.00 54.97 52.83 1wut s GLU 475 Cb 0.01 -1.64 1.17 0.00 0.10 0.00 0.00 34.13 33.77 1wut s GLU 475 CO 0.66 -1.35 2.09 -1.00 0.02 0.00 0.00 175.26 175.68 1wut h PRO 476 N 5.79 0.15 0.00 0.39 0.13 -1.44 -2.72 132.00 134.31 1wut h PRO 476 Ca 0.23 -0.01 -0.01 0.00 -0.87 0.00 0.00 66.00 65.34 1wut h PRO 476 Cb 0.90 -0.03 -0.00 0.00 0.13 0.00 0.00 31.00 31.99 1wut h PRO 476 CO 0.40 0.10 -0.04 1.12 -0.23 0.00 0.00 178.00 179.35 1wut h HIS 477 N 0.16 0.00 -0.08 1.56 2.07 -1.94 -3.05 115.15 113.88 1wut h HIS 477 Ca 0.09 0.00 -0.17 0.00 -2.85 0.00 0.00 60.37 57.44 1wut h HIS 477 Cb 0.17 0.00 -0.01 0.00 2.57 0.00 0.00 27.41 30.14 1wut h HIS 477 CO -0.00 0.04 -0.69 0.87 -3.07 0.00 0.00 177.93 175.09 1wut h LYS 478 N 0.00 0.34 -6.24 5.12 1.57 -1.73 -3.45 116.57 112.18 1wut h LYS 478 Ca -0.00 -0.26 -0.56 0.00 -1.87 0.00 0.00 60.65 57.95 1wut h LYS 478 Cb 0.25 0.05 -0.04 0.00 0.08 0.00 0.00 32.23 32.57 1wut h LYS 478 CO 0.01 0.90 0.63 -0.06 -0.57 0.00 0.00 179.45 180.36 1wut s PHE 479 N -3.66 3.42 0.37 -1.35 0.08 -1.15 -0.68 117.98 115.01 1wut s PHE 479 Ca -0.05 1.50 0.06 0.00 0.12 0.00 0.00 56.93 58.57 1wut s PHE 479 Cb 0.11 -3.24 -0.02 0.00 -0.57 0.00 0.00 43.02 39.29 1wut s PHE 479 CO 0.82 -0.46 0.24 -0.65 -0.10 0.00 0.00 175.22 175.07 1wut s GLN 480 N 2.27 1.88 0.02 0.44 -0.21 0.22 -4.95 119.66 119.33 1wut s GLN 480 Ca 0.49 -2.12 0.03 0.00 0.02 0.00 0.00 55.36 53.78 1wut s GLN 480 Cb -0.19 -0.01 -0.02 0.00 1.00 0.00 0.00 33.01 33.79 1wut s GLN 480 CO 0.17 -0.62 -0.11 1.21 -2.12 0.00 0.00 175.29 173.82 1wut s ASN 481 N -3.49 1.24 -0.34 5.90 3.84 -1.26 -2.25 114.94 118.59 1wut s ASN 481 Ca 0.33 -0.34 0.01 0.00 0.21 0.00 0.00 52.86 53.07 1wut s ASN 481 Cb 0.02 -0.08 0.14 0.00 -0.55 0.00 0.00 41.25 40.78 1wut s ASN 481 CO 0.24 0.02 0.32 -0.54 -2.79 0.00 0.00 177.10 174.35 1wut s LYS 482 N -0.81 0.51 0.31 0.43 -0.14 -0.96 -4.91 119.74 114.18 1wut s LYS 482 Ca 0.00 -0.71 -0.29 0.00 -1.36 0.00 0.00 55.97 53.61 1wut s LYS 482 Cb -0.06 -0.81 -0.11 0.00 -1.68 0.00 0.00 37.83 35.16 1wut s LYS 482 CO 0.00 -1.14 1.56 0.99 -0.76 0.00 0.00 175.35 176.01 1wut s THR 483 N 1.67 2.08 1.16 2.17 2.01 -1.26 -4.28 115.64 119.20 1wut s THR 483 Ca 0.15 0.07 -0.13 0.00 0.31 0.00 0.00 61.69 62.08 1wut s THR 483 Cb -0.16 -3.04 0.28 0.00 0.01 0.00 0.00 72.50 69.58 1wut s THR 483 CO -0.13 0.01 1.03 0.20 -0.69 0.00 0.00 174.62 175.05 1wut s ASN 484 N 0.34 1.09 0.37 3.53 0.02 -0.22 -4.64 114.94 115.43 1wut s ASN 484 Ca 0.61 1.35 -0.15 0.00 -1.02 0.00 0.00 52.86 53.65 1wut s ASN 484 Cb -0.47 -2.09 0.05 0.00 0.02 0.00 0.00 41.25 38.75 1wut s ASN 484 CO 0.51 -4.11 0.75 -0.83 0.02 0.00 0.00 177.10 173.45 1wut s GLY 485 N -2.78 0.44 0.11 0.66 0.00 -1.26 -4.83 107.32 99.66 1wut s GLY 485 Ca 0.68 -0.79 0.03 0.00 0.00 0.00 0.00 44.72 44.64 1wut s GLY 485 CO 0.63 -0.36 -0.09 -0.26 0.00 0.00 0.00 173.10 173.01 1wut s ILE 486 N -2.54 0.93 -0.15 0.90 -4.36 -0.09 -4.53 121.20 111.37 1wut s ILE 486 Ca 0.17 -1.82 -0.27 0.00 -0.26 0.00 0.00 60.65 58.47 1wut s ILE 486 Cb -0.05 -1.56 -0.01 0.00 1.25 0.00 0.00 42.46 42.09 1wut s ILE 486 CO 0.12 -0.69 0.89 0.28 0.24 0.00 0.00 174.94 175.79 1wut s THR 487 N -2.96 4.85 -0.74 8.37 -1.32 -1.26 -0.97 115.64 121.61 1wut s THR 487 Ca 0.10 1.78 0.17 0.00 -1.21 0.00 0.00 61.69 62.52 1wut s THR 487 Cb 0.01 -4.20 0.16 0.00 -1.51 0.00 0.00 72.50 66.96 1wut s THR 487 CO -0.01 0.02 1.52 -0.81 -2.21 0.00 0.00 174.62 173.13 1wut n PRO 488 N 5.16 0.08 0.08 7.08 -0.04 -1.26 -1.44 135.00 144.66 1wut n PRO 488 Ca 0.06 0.37 -0.04 0.00 -0.04 0.00 0.00 63.50 63.86 1wut n PRO 488 Cb 0.49 -1.68 -0.02 0.00 -0.04 0.00 0.00 33.50 32.25 1wut n PRO 488 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1wut h ARG 489 N 0.00 -0.23 -0.38 0.54 -0.00 -1.91 -2.68 114.38 109.72 1wut h ARG 489 Ca 0.00 0.02 -0.14 0.00 -0.50 0.00 0.00 59.98 59.35 1wut h ARG 489 Cb 0.24 0.05 -0.01 0.00 0.00 0.00 0.00 29.97 30.26 1wut h ARG 489 CO 0.00 -0.15 -0.32 -0.09 0.00 0.00 0.00 179.97 179.40 1wut h ARG 490 N -0.50 0.85 -0.56 0.04 2.43 -1.97 0.16 114.38 114.83 1wut h ARG 490 Ca -0.02 -0.41 0.00 0.00 -0.81 0.00 0.00 59.98 58.74 1wut h ARG 490 Cb 0.18 -0.01 0.00 0.00 -0.42 0.00 0.00 29.97 29.73 1wut h ARG 490 CO 0.04 1.05 0.00 0.91 -1.51 0.00 0.00 179.97 180.46 1wut n TRP 491 N -4.07 0.38 0.00 2.20 5.03 -0.52 -2.84 117.44 117.62 1wut n TRP 491 Ca -0.01 -0.15 0.00 0.00 3.03 0.00 0.00 57.50 60.37 1wut n TRP 491 Cb 0.50 -0.11 0.00 0.00 -1.03 0.00 0.00 31.31 30.68 1wut n TRP 491 CO 0.00 0.00 0.00 -0.11 -0.03 0.00 0.00 177.69 177.55 1wut n LEU 492 N 0.09 0.00 -0.21 -0.99 7.94 -1.03 -4.80 117.00 118.00 1wut n LEU 492 Ca 0.06 0.00 -0.01 0.00 -1.11 0.00 0.00 56.01 54.96 1wut n LEU 492 Cb 0.32 0.15 0.10 0.00 0.53 0.00 0.00 43.42 44.52 1wut n LEU 492 CO 0.06 -0.26 1.02 0.58 -1.11 0.00 0.00 177.39 177.69 1wut h VAL 493 N 0.00 0.85 0.31 1.96 2.07 -1.26 0.69 116.25 120.86 1wut h VAL 493 Ca 0.00 -0.17 -0.02 0.00 0.82 0.00 0.00 66.70 67.33 1wut h VAL 493 Cb 0.00 0.30 0.00 0.00 -1.52 0.00 0.00 31.29 30.08 1wut h VAL 493 CO 0.00 0.09 -0.15 0.25 0.02 0.00 0.00 177.57 177.78 1wut h LEU 494 N 0.50 -0.35 0.00 2.57 6.46 -1.09 -3.21 115.31 120.19 1wut h LEU 494 Ca 0.30 -0.19 0.00 0.00 -0.12 0.00 0.00 57.88 57.87 1wut h LEU 494 Cb 0.30 0.09 0.00 0.00 -0.73 0.00 0.00 40.66 40.33 1wut h LEU 494 CO -0.25 0.09 -0.24 0.00 -0.62 0.00 0.00 178.44 177.42 1wut n ASN 496 N -2.99 1.08 -0.03 0.00 2.85 0.24 -4.87 115.26 111.54 1wut n ASN 496 Ca 0.03 -2.95 0.02 0.00 -0.11 0.00 0.00 54.58 51.56 1wut n ASN 496 Cb 0.53 -0.63 0.34 0.00 1.24 0.00 0.00 39.78 41.26 1wut n ASN 496 CO 0.00 0.00 0.00 1.55 -2.11 0.00 0.00 177.26 176.70 1wut h PRO 497 N 3.59 0.61 -0.68 1.20 0.13 -1.63 -1.38 132.00 133.85 1wut h PRO 497 Ca 0.10 -0.07 0.02 0.00 -0.87 0.00 0.00 66.00 65.18 1wut h PRO 497 Cb 0.86 -0.12 -0.04 0.00 0.13 0.00 0.00 31.00 31.84 1wut h PRO 497 CO 0.54 0.49 0.43 0.78 -0.23 0.00 0.00 178.00 180.01 1wut h GLY 498 N 0.74 0.97 1.16 1.56 0.00 -1.91 0.22 103.07 105.82 1wut h GLY 498 Ca 0.15 -0.33 -0.22 0.00 0.00 0.00 0.00 47.33 46.93 1wut h GLY 498 CO -0.02 0.30 -0.73 -2.00 0.00 0.00 0.00 176.54 174.08 1wut h LEU 499 N 0.86 0.95 -1.21 3.11 5.85 -1.83 -2.87 115.31 120.16 1wut h LEU 499 Ca 0.27 -0.61 0.01 0.00 0.84 0.00 0.00 57.88 58.38 1wut h LEU 499 Cb -0.02 -0.28 -0.04 0.00 0.37 0.00 0.00 40.66 40.69 1wut h LEU 499 CO -0.09 1.41 0.52 0.00 -0.34 0.00 0.00 178.44 179.94 1wut h ALA 500 N 0.57 1.43 0.16 1.25 0.00 -0.77 -2.35 119.26 119.54 1wut h ALA 500 Ca -0.04 -0.06 -0.01 0.00 0.00 0.00 0.00 54.91 54.80 1wut h ALA 500 Cb 1.36 -0.32 0.00 0.00 0.00 0.00 0.00 17.79 18.83 1wut h ALA 500 CO 0.15 0.53 -0.08 1.49 0.00 0.00 0.00 179.25 181.35 1wut h GLU 501 N 1.08 -0.20 0.00 0.00 4.57 -0.51 -1.31 114.58 118.20 1wut h GLU 501 Ca 0.29 0.01 -0.03 0.00 -1.18 0.00 0.00 59.36 58.45 1wut h GLU 501 Cb -0.12 0.05 -0.00 0.00 -0.16 0.00 0.00 28.75 28.51 1wut h GLU 501 CO -0.06 0.09 -0.15 -0.84 -1.18 0.00 0.00 179.01 176.87 1wut h ILE 502 N -0.50 0.94 -0.10 2.32 3.07 -1.41 0.12 117.51 121.96 1wut h ILE 502 Ca -0.02 -0.54 -0.05 0.00 1.55 0.00 0.00 64.86 65.80 1wut h ILE 502 Cb 0.39 1.30 -0.00 0.00 -0.27 0.00 0.00 36.82 38.24 1wut h ILE 502 CO 0.04 0.15 -0.13 0.40 -1.05 0.00 0.00 178.15 177.56 1wut h ILE 503 N 0.00 1.37 -0.49 0.16 2.04 -1.36 -3.13 117.51 116.09 1wut h ILE 503 Ca -0.00 -1.33 -0.01 0.00 1.00 0.00 0.00 64.86 64.52 1wut h ILE 503 Cb 0.29 2.02 -0.02 0.00 -0.74 0.00 0.00 36.82 38.37 1wut h ILE 503 CO 0.02 0.38 0.27 0.00 0.00 0.00 0.00 178.15 178.82 1wut h ALA 504 N 0.56 1.55 -0.38 1.87 0.00 -0.30 -1.10 119.26 121.46 1wut h ALA 504 Ca 0.01 -0.08 0.08 0.00 0.00 0.00 0.00 54.91 54.93 1wut h ALA 504 Cb 0.67 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 18.23 1wut h ALA 504 CO 0.03 0.38 0.26 0.93 0.00 0.00 0.00 179.25 180.85 1wut h GLU 505 N 0.68 0.15 0.02 0.00 5.08 -0.74 -0.95 114.58 118.81 1wut h GLU 505 Ca 0.18 -0.01 -0.40 0.00 -1.00 0.00 0.00 59.36 58.13 1wut h GLU 505 Cb 0.02 -0.03 -0.06 0.00 0.50 0.00 0.00 28.75 29.17 1wut h GLU 505 CO -0.03 0.10 -2.29 0.54 -1.00 0.00 0.00 179.01 176.32 1wut n ARG 506 N -4.46 0.63 -0.08 2.33 5.12 -0.73 -4.74 116.66 114.74 1wut n ARG 506 Ca 0.05 0.26 0.04 0.00 -1.93 0.00 0.00 57.85 56.27 1wut n ARG 506 Cb 0.34 -1.56 0.08 0.00 -1.16 0.00 0.00 32.46 30.16 1wut n ARG 506 CO 0.00 0.00 0.00 0.44 -1.93 0.00 0.00 177.63 176.14 1wut n ILE 507 N -3.79 0.56 -0.43 0.55 -5.35 -0.50 -5.12 119.36 105.29 1wut n ILE 507 Ca -0.46 -0.78 0.00 0.00 -0.27 0.00 0.00 62.75 61.24 1wut n ILE 507 Cb 0.92 0.80 0.00 0.00 -1.74 0.00 0.00 39.64 39.62 1wut n ILE 507 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1wut n GLY 508 N 0.37 -3.04 0.30 3.28 0.00 -0.37 -4.68 105.19 101.05 1wut n GLY 508 Ca 0.07 -1.82 0.11 0.00 0.00 0.00 0.00 46.02 44.38 1wut n GLY 508 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1wut n GLU 509 N -0.38 0.73 0.30 1.61 1.02 -1.26 -4.23 120.64 118.43 1wut n GLU 509 Ca 0.00 -0.60 0.17 0.00 -0.02 0.00 0.00 57.16 56.70 1wut n GLU 509 Cb 0.00 -1.49 0.93 0.00 -0.02 0.00 0.00 31.44 30.86 1wut n GLU 509 CO 0.00 0.00 0.00 0.93 1.18 0.00 0.00 177.13 179.24 1wut h GLU 510 N 1.48 0.00 0.00 3.49 5.08 -1.97 -2.73 114.58 119.92 1wut h GLU 510 Ca 0.00 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.35 1wut h GLU 510 Cb 0.65 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.90 1wut h GLU 510 CO 0.00 0.04 -0.03 0.10 -1.00 0.00 0.00 179.01 178.11 1wut h TYR 511 N 0.00 0.00 -0.36 4.33 -0.00 -1.79 -2.78 116.97 116.37 1wut h TYR 511 Ca -0.00 0.00 0.03 0.00 -0.00 0.00 0.00 58.73 58.76 1wut h TYR 511 Cb 0.14 0.00 -0.02 0.00 -0.00 0.00 0.00 36.73 36.85 1wut h TYR 511 CO 0.00 0.03 0.24 0.82 -0.00 0.00 0.00 178.16 179.26 1wut h ILE 512 N 0.00 1.01 -0.11 -0.90 1.08 -1.83 -1.29 117.51 115.48 1wut h ILE 512 Ca -0.00 -0.12 0.00 0.00 -0.39 0.00 0.00 64.86 64.35 1wut h ILE 512 Cb 0.27 0.62 0.00 0.00 -3.07 0.00 0.00 36.82 34.64 1wut h ILE 512 CO 0.00 0.07 0.00 -1.54 -0.69 0.00 0.00 178.15 175.99 1wut n SER 513 N -4.48 2.73 -2.83 1.72 3.41 -1.11 -4.67 113.62 108.38 1wut n SER 513 Ca 0.03 -2.71 -0.11 0.00 -0.26 0.00 0.00 58.87 55.83 1wut n SER 513 Cb 0.16 -0.34 0.05 0.00 -0.26 0.00 0.00 64.21 63.82 1wut n SER 513 CO 0.00 0.00 0.00 -0.67 -0.16 0.00 0.00 175.04 174.21 1wut n ASP 514 N -0.77 -1.92 0.17 4.04 4.64 -0.66 -5.03 116.55 117.03 1wut n ASP 514 Ca 0.13 -3.43 0.17 0.00 -1.38 0.00 0.00 54.79 50.29 1wut n ASP 514 Cb 0.59 1.39 0.63 0.00 -1.04 0.00 0.00 41.12 42.70 1wut n ASP 514 CO 0.00 0.00 0.00 -0.07 -0.82 0.00 0.00 177.20 176.31 1wut h LEU 515 N 3.37 0.00 -2.15 -2.67 3.38 -1.55 -1.68 115.31 114.00 1wut h LEU 515 Ca -0.08 0.00 0.03 0.00 0.09 0.00 0.00 57.88 57.92 1wut h LEU 515 Cb 1.05 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.79 1wut h LEU 515 CO 0.26 0.00 0.08 0.44 0.09 0.00 0.00 178.44 179.31 1wut h ASP 516 N 0.00 0.00 0.13 -0.43 3.32 -1.86 -1.26 116.42 116.33 1wut h ASP 516 Ca 0.14 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.19 1wut h ASP 516 Cb 1.30 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.85 1wut h ASP 516 CO -0.00 0.00 0.00 0.00 -1.72 0.00 0.00 179.24 177.52 1wut n GLN 517 N -4.24 0.01 0.29 3.56 6.02 -0.63 -2.15 117.38 120.24 1wut n GLN 517 Ca -0.01 0.45 0.17 0.00 -0.01 0.00 0.00 57.00 57.59 1wut n GLN 517 Cb 0.19 -1.53 0.84 0.00 1.02 0.00 0.00 30.24 30.76 1wut n GLN 517 CO 0.00 0.00 0.00 1.25 -1.01 0.00 0.00 177.06 177.30 1wut h LEU 518 N 0.00 0.00 -1.87 1.08 5.85 -1.46 -2.07 115.31 116.83 1wut h LEU 518 Ca 0.00 0.00 0.10 0.00 0.84 0.00 0.00 57.88 58.82 1wut h LEU 518 Cb 0.07 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 41.07 1wut h LEU 518 CO 0.00 0.06 0.30 0.03 -0.34 0.00 0.00 178.44 178.48 1wut h ARG 519 N 0.00 0.14 -0.06 1.25 3.08 -0.94 0.29 114.38 118.14 1wut h ARG 519 Ca -0.00 -0.01 0.02 0.00 0.07 0.00 0.00 59.98 60.06 1wut h ARG 519 Cb 0.30 -0.03 -0.00 0.00 0.08 0.00 0.00 29.97 30.31 1wut h ARG 519 CO 0.01 0.09 0.15 0.87 -1.07 0.00 0.00 179.97 180.02 1wut h LYS 520 N 0.15 0.00 0.00 0.04 1.57 -1.62 0.10 116.57 116.81 1wut h LYS 520 Ca 0.20 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.98 1wut h LYS 520 Cb 0.60 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.91 1wut h LYS 520 CO -0.03 0.00 0.00 1.28 -0.57 0.00 0.00 179.45 180.13 1wut n LEU 521 N -3.34 0.55 0.11 2.94 4.77 0.09 -2.70 117.00 119.43 1wut n LEU 521 Ca -0.01 0.64 0.05 0.00 -0.03 0.00 0.00 56.01 56.66 1wut n LEU 521 Cb 0.23 -0.57 0.49 0.00 -2.33 0.00 0.00 43.42 41.24 1wut n LEU 521 CO 0.21 -0.51 1.08 -0.07 -1.33 0.00 0.00 177.39 176.77 1wut h LEU 522 N 0.00 0.27 0.00 2.23 4.07 -0.96 -1.61 115.31 119.31 1wut h LEU 522 Ca 0.00 -0.02 0.00 0.00 0.08 0.00 0.00 57.88 57.94 1wut h LEU 522 Cb 0.34 -0.07 0.00 0.00 1.08 0.00 0.00 40.66 42.01 1wut h LEU 522 CO 0.00 0.24 0.00 -1.54 -1.08 0.00 0.00 178.44 176.06 1wut n SER 523 N -4.46 0.00 0.00 -0.43 3.41 -1.10 -2.54 113.62 108.51 1wut n SER 523 Ca 0.00 -1.55 0.00 0.00 -0.26 0.00 0.00 58.87 57.07 1wut n SER 523 Cb 0.11 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.06 1wut n SER 523 CO 0.00 0.00 0.00 -1.22 -0.16 0.00 0.00 175.04 173.66 1wut n TYR 524 N -0.64 0.00 0.32 7.33 4.01 -0.61 -4.65 117.16 122.92 1wut n TYR 524 Ca 0.06 -0.45 0.20 0.00 -0.16 0.00 0.00 57.90 57.55 1wut n TYR 524 Cb 0.03 -0.04 1.08 0.00 -0.31 0.00 0.00 39.34 40.09 1wut n TYR 524 CO 0.00 0.00 0.00 -0.24 -0.46 0.00 0.00 176.86 176.16 1wut h VAL 525 N 0.01 0.19 -0.10 -0.72 3.04 -1.52 -0.03 116.25 117.12 1wut h VAL 525 Ca 0.00 -0.06 0.00 0.00 -1.01 0.00 0.00 66.70 65.63 1wut h VAL 525 Cb 0.45 1.05 0.00 0.00 -2.01 0.00 0.00 31.29 30.78 1wut h VAL 525 CO 0.00 0.01 0.00 0.47 -1.01 0.00 0.00 177.57 177.04 1wut n ASP 526 N -3.33 2.07 -4.69 3.17 10.43 -1.26 -4.88 116.55 118.06 1wut n ASP 526 Ca -0.03 -1.58 -0.42 0.00 2.57 0.00 0.00 54.79 55.33 1wut n ASP 526 Cb 0.10 -0.06 -0.03 0.00 1.84 0.00 0.00 41.12 42.97 1wut n ASP 526 CO 0.00 0.00 0.00 -0.62 -1.07 0.00 0.00 177.20 175.51 1wut s ASP 527 N -0.83 6.84 0.23 -2.24 3.68 -0.03 -4.91 116.67 119.41 1wut s ASP 527 Ca 0.13 2.11 -0.02 0.00 2.13 0.00 0.00 52.55 56.90 1wut s ASP 527 Cb 0.08 -2.56 0.23 0.00 -1.45 0.00 0.00 42.92 39.22 1wut s ASP 527 CO 0.12 -0.73 1.62 -0.08 0.13 0.00 0.00 175.17 176.23 1wut h GLU 528 N 7.95 0.64 -0.20 4.34 4.57 -1.93 -2.37 114.58 127.58 1wut h GLU 528 Ca -0.37 -0.28 -0.11 0.00 -1.18 0.00 0.00 59.36 57.41 1wut h GLU 528 Cb 1.18 -0.02 -0.00 0.00 -0.16 0.00 0.00 28.75 29.75 1wut h GLU 528 CO 0.91 0.87 -0.30 0.00 -1.18 0.00 0.00 179.01 179.31 1wut h ALA 529 N 1.11 0.31 -0.36 2.92 0.00 -1.95 -2.85 119.26 118.44 1wut h ALA 529 Ca 0.06 -0.41 -0.03 0.00 0.00 0.00 0.00 54.91 54.54 1wut h ALA 529 Cb 0.80 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.52 1wut h ALA 529 CO 0.07 0.32 0.12 0.35 0.00 0.00 0.00 179.25 180.11 1wut h PHE 530 N 0.23 0.58 -0.85 0.00 -0.00 -1.87 -1.15 116.94 113.88 1wut h PHE 530 Ca 0.02 -0.06 0.07 0.00 -0.00 0.00 0.00 57.97 58.01 1wut h PHE 530 Cb 0.88 -0.17 -0.07 0.00 -0.00 0.00 0.00 35.95 36.59 1wut h PHE 530 CO 0.09 0.55 0.52 0.82 -0.00 0.00 0.00 178.31 180.29 1wut h ILE 531 N 0.43 1.00 -0.43 1.41 2.04 -1.48 0.17 117.51 120.65 1wut h ILE 531 Ca 0.12 -0.31 -0.11 0.00 1.00 0.00 0.00 64.86 65.56 1wut h ILE 531 Cb 0.24 0.00 -0.02 0.00 -0.74 0.00 0.00 36.82 36.31 1wut h ILE 531 CO -0.00 0.17 -0.17 -0.09 0.00 0.00 0.00 178.15 178.06 1wut h ARG 532 N 0.92 0.81 0.11 2.37 2.43 -1.25 -2.34 114.38 117.43 1wut h ARG 532 Ca 0.38 -0.30 -0.01 0.00 -0.81 0.00 0.00 59.98 59.25 1wut h ARG 532 Cb 0.24 -0.05 0.00 0.00 -0.42 0.00 0.00 29.97 29.74 1wut h ARG 532 CO -0.20 0.92 -0.05 -0.44 -1.51 0.00 0.00 179.97 178.69 1wut h ASP 533 N 0.72 -0.13 -0.67 -3.80 3.32 -0.19 -0.72 116.42 114.95 1wut h ASP 533 Ca 0.11 -0.38 0.12 0.00 0.02 0.00 0.00 57.03 56.90 1wut h ASP 533 Cb 0.67 0.03 -0.09 0.00 0.22 0.00 0.00 39.33 40.17 1wut h ASP 533 CO 0.05 0.35 0.23 0.58 -1.72 0.00 0.00 179.24 178.72 1wut h VAL 534 N -0.65 0.68 -0.08 -1.35 2.07 -0.75 0.53 116.25 116.70 1wut h VAL 534 Ca -0.02 -0.13 -0.08 0.00 0.82 0.00 0.00 66.70 67.29 1wut h VAL 534 Cb 0.50 0.27 -0.01 0.00 -1.52 0.00 0.00 31.29 30.53 1wut h VAL 534 CO 0.03 0.07 -0.33 0.00 0.02 0.00 0.00 177.57 177.35 1wut h ALA 535 N 1.50 1.30 -0.17 1.67 0.00 -1.38 -2.85 119.26 119.32 1wut h ALA 535 Ca 0.36 -0.34 -0.15 0.00 0.00 0.00 0.00 54.91 54.78 1wut h ALA 535 Cb 0.52 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.23 1wut h ALA 535 CO -0.38 0.49 -0.49 -0.22 0.00 0.00 0.00 179.25 178.65 1wut h LYS 536 N 0.14 0.63 -0.34 0.00 3.64 0.62 -2.56 116.57 118.70 1wut h LYS 536 Ca 0.02 -0.45 -0.08 0.00 -1.27 0.00 0.00 60.65 58.87 1wut h LYS 536 Cb 0.66 0.07 -0.02 0.00 -0.41 0.00 0.00 32.23 32.53 1wut h LYS 536 CO 0.05 1.07 -0.12 -0.39 -2.27 0.00 0.00 179.45 177.79 1wut h VAL 537 N 0.30 1.24 -0.34 2.00 -1.51 -1.08 -0.38 116.25 116.48 1wut h VAL 537 Ca -0.01 -1.07 -0.08 0.00 -1.23 0.00 0.00 66.70 64.31 1wut h VAL 537 Cb 1.11 1.11 -0.02 0.00 -2.13 0.00 0.00 31.29 31.37 1wut h VAL 537 CO 0.11 0.36 -0.12 0.50 -1.23 0.00 0.00 177.57 177.19 1wut h LYS 538 N 0.54 0.59 -0.31 5.19 1.63 -1.50 -0.21 116.57 122.51 1wut h LYS 538 Ca 0.10 -0.18 -0.16 0.00 -0.85 0.00 0.00 60.65 59.56 1wut h LYS 538 Cb 0.52 -0.06 -0.00 0.00 -0.60 0.00 0.00 32.23 32.09 1wut h LYS 538 CO 0.03 0.70 -0.44 0.37 -3.45 0.00 0.00 179.45 176.66 1wut h GLN 539 N 0.55 0.84 -0.35 1.90 5.75 -0.95 -1.54 115.11 121.31 1wut h GLN 539 Ca 0.10 -0.49 -0.07 0.00 -0.15 0.00 0.00 58.65 58.03 1wut h GLN 539 Cb 0.52 0.04 -0.02 0.00 1.07 0.00 0.00 27.48 29.10 1wut h GLN 539 CO 0.03 1.13 -0.09 0.93 -2.65 0.00 0.00 178.83 178.18 1wut h GLU 540 N 0.62 0.58 -0.42 1.69 5.08 -0.81 -1.81 114.58 119.52 1wut h GLU 540 Ca 0.03 -0.16 -0.07 0.00 -1.00 0.00 0.00 59.36 58.16 1wut h GLU 540 Cb 1.04 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 30.21 1wut h GLU 540 CO 0.10 0.67 -0.00 -0.91 -1.00 0.00 0.00 179.01 177.87 1wut h ASN 541 N 0.54 0.73 -0.46 1.42 2.35 -0.81 -2.12 115.58 117.23 1wut h ASN 541 Ca 0.10 -0.31 -0.10 0.00 -0.55 0.00 0.00 56.30 55.44 1wut h ASN 541 Cb 0.48 -0.20 -0.02 0.00 0.05 0.00 0.00 38.32 38.64 1wut h ASN 541 CO 0.03 0.86 -0.08 0.11 -1.65 0.00 0.00 177.43 176.70 1wut h LYS 542 N 0.58 0.91 -0.50 0.81 1.57 -1.05 -1.57 116.57 117.33 1wut h LYS 542 Ca 0.12 -0.31 -0.09 0.00 -1.87 0.00 0.00 60.65 58.50 1wut h LYS 542 Cb 0.49 -0.08 -0.02 0.00 0.08 0.00 0.00 32.23 32.70 1wut h LYS 542 CO 0.02 0.95 -0.07 -0.07 -0.57 0.00 0.00 179.45 179.72 1wut h LEU 543 N 0.83 0.87 -0.42 2.94 3.38 -1.25 0.32 115.31 121.98 1wut h LEU 543 Ca 0.14 -0.25 -0.17 0.00 0.09 0.00 0.00 57.88 57.68 1wut h LEU 543 Cb 0.60 -0.23 -0.00 0.00 0.09 0.00 0.00 40.66 41.11 1wut h LEU 543 CO 0.04 0.97 -0.54 0.50 0.09 0.00 0.00 178.44 179.49 1wut h LYS 544 N 0.80 0.70 -0.22 1.13 3.11 -1.21 -2.01 116.57 118.88 1wut h LYS 544 Ca 0.14 -0.44 -0.11 0.00 -2.81 0.00 0.00 60.65 57.43 1wut h LYS 544 Cb 0.58 0.05 -0.00 0.00 -1.00 0.00 0.00 32.23 31.85 1wut h LYS 544 CO 0.04 1.06 -0.29 0.35 -2.81 0.00 0.00 179.45 177.80 1wut h PHE 545 N 0.54 0.72 -0.24 1.91 3.57 -1.09 -0.84 116.94 121.51 1wut h PHE 545 Ca 0.01 -0.23 0.04 0.00 3.53 0.00 0.00 57.97 61.33 1wut h PHE 545 Cb 1.12 -0.14 -0.01 0.00 2.79 0.00 0.00 35.95 39.70 1wut h PHE 545 CO 0.06 0.95 0.16 0.00 -2.23 0.00 0.00 178.31 177.25 1wut h ALA 546 N 0.64 2.07 0.08 2.41 0.00 -0.90 0.48 119.26 124.05 1wut h ALA 546 Ca 0.03 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.92 1wut h ALA 546 Cb 0.86 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.62 1wut h ALA 546 CO 0.07 -0.12 -0.04 0.00 0.00 0.00 0.00 179.25 179.16 1wut h ALA 547 N 1.87 -0.11 -0.97 0.00 0.00 -1.15 -3.15 119.26 115.76 1wut h ALA 547 Ca 0.11 -0.28 0.21 0.00 0.00 0.00 0.00 54.91 54.95 1wut h ALA 547 Cb 0.27 0.04 -0.09 0.00 0.00 0.00 0.00 17.79 18.02 1wut h ALA 547 CO -0.01 -0.20 0.62 -0.92 0.00 0.00 0.00 179.25 178.74 1wut h TYR 548 N -0.84 0.77 -0.51 0.00 5.03 -0.43 0.33 116.97 121.32 1wut h TYR 548 Ca -0.01 0.02 0.00 0.00 2.58 0.00 0.00 58.73 61.33 1wut h TYR 548 Cb 0.60 -0.23 -0.03 0.00 1.55 0.00 0.00 36.73 38.62 1wut h TYR 548 CO 0.13 0.17 0.34 1.25 -1.32 0.00 0.00 178.16 178.72 1wut h LEU 549 N 0.54 0.59 -0.21 2.82 5.85 -0.93 -1.60 115.31 122.37 1wut h LEU 549 Ca 0.54 -0.02 -0.22 0.00 0.84 0.00 0.00 57.88 59.02 1wut h LEU 549 Cb 1.14 -0.15 -0.00 0.00 0.37 0.00 0.00 40.66 42.02 1wut h LEU 549 CO -0.28 0.43 -0.91 -0.33 -0.34 0.00 0.00 178.44 177.01 1wut h GLU 550 N 0.69 0.35 0.22 1.25 5.08 -1.13 0.20 114.58 121.24 1wut h GLU 550 Ca 0.19 -0.37 -0.01 0.00 -1.00 0.00 0.00 59.36 58.17 1wut h GLU 550 Cb -0.08 0.11 -0.00 0.00 0.50 0.00 0.00 28.75 29.28 1wut h GLU 550 CO -0.04 1.06 -0.14 0.00 -1.00 0.00 0.00 179.01 178.89 1wut h ARG 551 N 0.20 -0.32 0.00 2.33 3.08 -0.74 -2.65 114.38 116.28 1wut h ARG 551 Ca -0.07 0.02 -0.05 0.00 0.07 0.00 0.00 59.98 59.96 1wut h ARG 551 Cb 1.55 0.07 -0.01 0.00 0.08 0.00 0.00 29.97 31.66 1wut h ARG 551 CO 0.15 -0.21 -0.78 0.93 -1.07 0.00 0.00 179.97 178.99 1wut h GLU 552 N -0.33 0.00 0.00 0.04 3.07 -1.44 -3.41 114.58 112.51 1wut h GLU 552 Ca -0.03 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.83 1wut h GLU 552 Cb 0.27 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.18 1wut h GLU 552 CO 0.03 0.13 -0.93 0.66 -1.40 0.00 0.00 179.01 177.49 1wut n TYR 553 N -2.90 0.00 -2.64 4.33 4.01 -0.40 -5.09 117.16 114.47 1wut n TYR 553 Ca -0.01 0.00 -0.04 0.00 -0.16 0.00 0.00 57.90 57.69 1wut n TYR 553 Cb 0.63 0.00 -0.03 0.00 -0.31 0.00 0.00 39.34 39.63 1wut n TYR 553 CO 0.00 0.00 0.00 1.63 -0.46 0.00 0.00 176.86 178.03 1wut n LYS 554 N -1.51 -3.99 0.00 -0.72 5.02 0.56 -4.95 118.16 112.57 1wut n LYS 554 Ca 0.00 3.03 0.00 0.00 -2.02 0.00 0.00 58.31 59.32 1wut n LYS 554 Cb 0.10 -4.16 0.00 0.00 -0.02 0.00 0.00 35.03 30.95 1wut n LYS 554 CO 0.00 0.00 0.00 1.33 -0.52 0.00 0.00 177.40 178.21 1wut n VAL 555 N 1.90 0.00 -0.89 -0.18 0.24 -1.26 -4.99 118.33 113.15 1wut n VAL 555 Ca -0.29 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.01 1wut n VAL 555 Cb 0.45 0.00 0.00 0.00 -1.47 0.00 0.00 33.84 32.82 1wut n VAL 555 CO 0.00 0.00 0.00 1.57 -2.14 0.00 0.00 176.83 176.26 1wut n HIS 556 N 0.00 0.00 -3.83 6.34 -0.00 -1.26 -5.08 115.22 111.39 1wut n HIS 556 Ca 0.00 0.00 -0.09 0.00 0.46 0.00 0.00 57.72 58.09 1wut n HIS 556 Cb 0.00 -0.21 -0.07 0.00 -0.12 0.00 0.00 29.99 29.59 1wut n HIS 556 CO 0.00 0.00 0.00 0.96 0.46 0.00 0.00 176.34 177.76 1wut s ILE 557 N -3.14 0.14 -0.37 3.57 -4.36 -1.26 -5.10 121.20 110.68 1wut s ILE 557 Ca 0.00 -1.12 -0.14 0.00 -0.26 0.00 0.00 60.65 59.13 1wut s ILE 557 Cb 0.00 -1.32 0.00 0.00 1.25 0.00 0.00 42.46 42.39 1wut s ILE 557 CO 0.00 -0.62 0.27 0.21 0.24 0.00 0.00 174.94 175.04 1wut s ASN 558 N -2.85 6.08 0.00 4.36 2.47 -1.26 -4.96 114.94 118.77 1wut s ASN 558 Ca 0.05 -0.66 0.15 0.00 0.42 0.00 0.00 52.86 52.81 1wut s ASN 558 Cb 0.05 -2.15 0.90 0.00 -1.45 0.00 0.00 41.25 38.60 1wut s ASN 558 CO -0.11 -0.34 1.32 -2.65 -3.72 0.00 0.00 177.10 171.60 1wut n PRO 559 N 5.13 0.46 0.00 0.43 -0.02 -1.26 -2.34 135.00 137.41 1wut n PRO 559 Ca -0.12 0.01 0.11 0.00 -2.02 0.00 0.00 63.50 61.47 1wut n PRO 559 Cb 0.48 -1.50 -0.06 0.00 -0.02 0.00 0.00 33.50 32.40 1wut n PRO 559 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 1wut n ASN 560 N -1.01 0.77 -4.57 2.55 5.03 -1.26 -4.87 115.26 111.90 1wut n ASN 560 Ca 0.11 -0.69 -0.29 0.00 0.87 0.00 0.00 54.58 54.58 1wut n ASN 560 Cb 0.05 0.99 0.14 0.00 -1.02 0.00 0.00 39.78 39.94 1wut n ASN 560 CO 0.00 0.00 0.00 -0.94 -1.83 0.00 0.00 177.26 174.49 1wut s SER 561 N -3.29 3.63 -0.10 6.41 1.04 -0.99 -4.95 113.70 115.45 1wut s SER 561 Ca 0.06 0.65 -0.27 0.00 0.48 0.00 0.00 55.95 56.88 1wut s SER 561 Cb 0.16 -1.01 -0.02 0.00 0.10 0.00 0.00 66.02 65.25 1wut s SER 561 CO 0.84 -2.44 0.87 -0.22 0.98 0.00 0.00 173.24 173.27 1wut s LEU 562 N -5.86 4.25 -0.66 2.42 0.20 0.08 -4.84 118.68 114.27 1wut s LEU 562 Ca 0.67 1.35 -0.23 0.00 0.69 0.00 0.00 54.13 56.61 1wut s LEU 562 Cb -0.10 -3.34 0.07 0.00 -0.43 0.00 0.00 46.19 42.40 1wut s LEU 562 CO 0.52 -0.33 0.97 -0.36 -0.29 0.00 0.00 176.35 176.85 1wut s PHE 563 N 1.66 2.67 -0.57 5.38 2.99 -1.26 -0.55 117.98 128.30 1wut s PHE 563 Ca 0.43 -0.55 -0.19 0.00 0.00 0.00 0.00 56.93 56.61 1wut s PHE 563 Cb -0.18 -4.30 0.09 0.00 0.00 0.00 0.00 43.02 38.63 1wut s PHE 563 CO 0.17 -1.66 0.70 0.34 -0.00 0.00 0.00 175.22 174.77 1wut s ASP 564 N 3.69 6.19 -0.04 1.36 3.68 -0.09 -1.58 116.67 129.89 1wut s ASP 564 Ca 0.22 -1.29 0.06 0.00 2.13 0.00 0.00 52.55 53.67 1wut s ASP 564 Cb -0.17 -2.30 -0.01 0.00 -1.45 0.00 0.00 42.92 38.99 1wut s ASP 564 CO 0.10 -1.08 -0.21 0.54 0.13 0.00 0.00 175.17 174.65 1wut s VAL 565 N 2.73 1.73 -0.28 1.11 0.11 -0.65 0.48 120.40 125.64 1wut s VAL 565 Ca 0.13 -0.91 0.00 0.00 -2.93 0.00 0.00 61.98 58.27 1wut s VAL 565 Cb -0.23 -1.46 0.08 0.00 -1.53 0.00 0.00 36.38 33.25 1wut s VAL 565 CO 0.08 0.49 0.03 -1.58 -3.33 0.00 0.00 175.10 170.79 1wut s GLN 566 N -0.26 1.16 -0.12 1.54 0.74 -0.07 -2.10 119.66 120.54 1wut s GLN 566 Ca 0.02 -1.14 0.01 0.00 0.05 0.00 0.00 55.36 54.29 1wut s GLN 566 Cb -0.11 -2.44 0.02 0.00 1.10 0.00 0.00 33.01 31.58 1wut s GLN 566 CO 0.01 -0.81 -0.13 0.14 -0.55 0.00 0.00 175.29 173.94 1wut s VAL 567 N 1.42 1.44 0.00 1.34 -7.23 -1.26 -1.78 120.40 114.34 1wut s VAL 567 Ca 0.04 -0.58 0.00 0.00 -1.81 0.00 0.00 61.98 59.63 1wut s VAL 567 Cb -0.18 -1.35 0.00 0.00 0.56 0.00 0.00 36.38 35.41 1wut s VAL 567 CO -0.14 0.43 0.00 2.29 -0.31 0.00 0.00 175.10 177.38 1wut n LYS 568 N 4.53 -0.14 -1.67 4.82 0.00 -0.92 -5.00 118.16 119.80 1wut n LYS 568 Ca -0.17 0.00 -0.37 0.00 -0.00 0.00 0.00 58.31 57.76 1wut n LYS 568 Cb 0.51 0.00 0.06 0.00 -0.00 0.00 0.00 35.03 35.60 1wut n LYS 568 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.40 177.94 1wut n ARG 569 N -0.11 0.98 -2.67 -1.58 5.12 -1.26 -4.05 116.66 113.10 1wut n ARG 569 Ca 0.00 0.39 -0.43 0.00 -1.93 0.00 0.00 57.85 55.88 1wut n ARG 569 Cb 0.00 -2.35 -0.02 0.00 -1.16 0.00 0.00 32.46 28.92 1wut n ARG 569 CO 0.00 0.00 0.00 0.42 -1.93 0.00 0.00 177.63 176.12 1wut s ILE 570 N -1.46 4.72 0.01 0.55 -1.09 -0.34 -4.87 121.20 118.72 1wut s ILE 570 Ca 0.80 2.02 -0.14 0.00 -2.23 0.00 0.00 60.65 61.10 1wut s ILE 570 Cb -0.39 -4.30 0.02 0.00 -1.58 0.00 0.00 42.46 36.20 1wut s ILE 570 CO 0.43 -0.09 0.30 -1.00 -1.23 0.00 0.00 174.94 173.35 1wut s HIS 571 N 2.60 -0.13 0.22 3.97 3.76 -1.26 -4.75 115.29 119.70 1wut s HIS 571 Ca 0.47 0.12 -0.02 0.00 -0.15 0.00 0.00 55.06 55.47 1wut s HIS 571 Cb -0.17 0.08 0.20 0.00 1.11 0.00 0.00 32.58 33.81 1wut s HIS 571 CO 0.12 -0.43 1.58 0.93 -0.85 0.00 0.00 174.74 176.09 1wut h GLU 572 N 3.62 0.57 0.00 1.40 5.08 -1.97 -2.92 114.58 120.35 1wut h GLU 572 Ca -0.31 -0.29 -0.04 0.00 -1.00 0.00 0.00 59.36 57.72 1wut h GLU 572 Cb 1.19 0.01 -0.01 0.00 0.50 0.00 0.00 28.75 30.44 1wut h GLU 572 CO 0.43 0.88 -0.21 0.10 -1.00 0.00 0.00 179.01 179.21 1wut h TYR 573 N 0.46 0.00 0.00 4.33 -0.00 -1.97 -2.32 116.97 117.46 1wut h TYR 573 Ca 0.04 0.00 0.00 0.00 0.00 0.00 0.00 58.73 58.77 1wut h TYR 573 Cb 0.93 0.00 0.00 0.00 0.00 0.00 0.00 36.73 37.66 1wut h TYR 573 CO 0.04 0.21 0.00 0.87 -0.00 0.00 0.00 178.16 179.28 1wut h LYS 574 N 0.00 0.00 -5.59 0.10 1.79 -1.86 -3.10 116.57 107.90 1wut h LYS 574 Ca -0.00 0.00 -0.32 0.00 -2.18 0.00 0.00 60.65 58.14 1wut h LYS 574 Cb 0.65 0.00 0.17 0.00 -1.58 0.00 0.00 32.23 31.47 1wut h LYS 574 CO 0.03 0.00 -0.76 0.54 -1.08 0.00 0.00 179.45 178.18 1wut n ARG 575 N -2.79 -6.41 0.26 3.15 1.74 -0.88 -3.92 116.66 107.82 1wut n ARG 575 Ca 0.04 0.84 0.11 0.00 -0.77 0.00 0.00 57.85 58.07 1wut n ARG 575 Cb 0.45 -5.82 0.70 0.00 -1.02 0.00 0.00 32.46 26.76 1wut n ARG 575 CO 0.00 0.00 0.00 1.96 -1.52 0.00 0.00 177.63 178.07 1wut h GLN 576 N -1.85 0.00 -0.87 5.56 7.50 -1.84 -0.84 115.11 122.77 1wut h GLN 576 Ca -0.58 0.00 -0.03 0.00 0.50 0.00 0.00 58.65 58.54 1wut h GLN 576 Cb 1.33 0.00 -0.04 0.00 0.05 0.00 0.00 27.48 28.82 1wut h GLN 576 CO 0.49 0.11 0.45 -0.07 -1.50 0.00 0.00 178.83 178.31 1wut h LEU 577 N 0.00 1.12 -1.12 1.46 3.38 -1.89 -0.62 115.31 117.63 1wut h LEU 577 Ca -0.00 -0.12 -0.04 0.00 0.09 0.00 0.00 57.88 57.81 1wut h LEU 577 Cb 0.26 -0.29 -0.02 0.00 0.09 0.00 0.00 40.66 40.70 1wut h LEU 577 CO 0.01 0.92 0.13 0.25 0.09 0.00 0.00 178.44 179.85 1wut h LEU 578 N 1.23 0.70 -0.73 1.67 5.85 -1.52 -1.43 115.31 121.08 1wut h LEU 578 Ca 0.30 -0.11 -0.07 0.00 0.84 0.00 0.00 57.88 58.84 1wut h LEU 578 Cb 0.08 -0.18 -0.03 0.00 0.37 0.00 0.00 40.66 40.90 1wut h LEU 578 CO -0.04 0.69 0.19 -1.13 -0.34 0.00 0.00 178.44 177.81 1wut h ASN 579 N 0.74 1.09 -0.53 1.25 -0.00 -1.11 -2.88 115.58 114.14 1wut h ASN 579 Ca 0.17 -0.23 0.00 0.00 -0.00 0.00 0.00 56.30 56.24 1wut h ASN 579 Cb 0.25 -0.29 -0.03 0.00 -0.00 0.00 0.00 38.32 38.26 1wut h ASN 579 CO -0.00 1.03 0.34 0.00 -0.00 0.00 0.00 177.43 178.80 1wut h LEU 581 N 0.72 0.71 -0.23 0.00 3.38 -1.13 -0.78 115.31 117.98 1wut h LEU 581 Ca 0.19 -0.02 -0.09 0.00 0.09 0.00 0.00 57.88 58.05 1wut h LEU 581 Cb -0.06 -0.18 -0.00 0.00 0.09 0.00 0.00 40.66 40.51 1wut h LEU 581 CO -0.04 0.52 -0.21 -0.74 0.09 0.00 0.00 178.44 178.06 1wut h HIS 582 N 0.83 0.65 -0.49 1.13 2.76 -1.25 -1.67 115.15 117.11 1wut h HIS 582 Ca 0.22 -0.19 0.02 0.00 -2.20 0.00 0.00 60.37 58.23 1wut h HIS 582 Cb -0.09 -0.14 -0.03 0.00 1.55 0.00 0.00 27.41 28.70 1wut h HIS 582 CO 0.00 0.87 0.30 0.28 -1.30 0.00 0.00 177.93 178.08 1wut h VAL 583 N 0.24 1.06 -0.39 5.26 2.07 -0.66 -0.27 116.25 123.57 1wut h VAL 583 Ca 0.04 -0.20 -0.05 0.00 0.82 0.00 0.00 66.70 67.30 1wut h VAL 583 Cb 0.75 0.41 -0.02 0.00 -1.52 0.00 0.00 31.29 30.91 1wut h VAL 583 CO 0.05 0.11 0.02 0.40 0.02 0.00 0.00 177.57 178.17 1wut h ILE 584 N 0.60 1.21 -0.15 4.57 2.04 -1.14 -1.95 117.51 122.69 1wut h ILE 584 Ca 0.19 -0.83 -0.01 0.00 1.00 0.00 0.00 64.86 65.22 1wut h ILE 584 Cb 0.00 0.90 -0.01 0.00 -0.74 0.00 0.00 36.82 36.97 1wut h ILE 584 CO -0.08 0.29 0.07 0.74 0.00 0.00 0.00 178.15 179.16 1wut h THR 585 N 0.58 1.15 -0.56 -0.27 2.02 -0.37 -0.22 112.91 115.24 1wut h THR 585 Ca 0.12 -0.43 0.06 0.00 0.77 0.00 0.00 66.41 66.93 1wut h THR 585 Cb 0.35 1.15 -0.05 0.00 -1.74 0.00 0.00 68.15 67.85 1wut h THR 585 CO 0.01 0.14 0.27 -0.07 0.37 0.00 0.00 175.52 176.23 1wut h LEU 586 N 0.10 0.35 -0.04 2.58 4.07 -0.76 -0.43 115.31 121.18 1wut h LEU 586 Ca 0.05 0.04 0.00 0.00 0.08 0.00 0.00 57.88 58.06 1wut h LEU 586 Cb 0.15 -0.02 -0.00 0.00 1.08 0.00 0.00 40.66 41.88 1wut h LEU 586 CO -0.01 0.23 0.03 0.22 -1.08 0.00 0.00 178.44 177.83 1wut h TYR 587 N 0.50 0.05 -0.42 1.13 5.03 -1.10 -1.91 116.97 120.26 1wut h TYR 587 Ca 0.26 0.00 -0.03 0.00 2.58 0.00 0.00 58.73 61.55 1wut h TYR 587 Cb 0.22 -0.02 -0.02 0.00 1.55 0.00 0.00 36.73 38.46 1wut h TYR 587 CO -0.12 0.05 0.15 -0.91 -1.32 0.00 0.00 178.16 176.01 1wut h ASN 588 N 0.05 0.54 -0.22 -2.11 2.35 -0.48 -1.27 115.58 114.43 1wut h ASN 588 Ca 0.02 -0.06 -0.15 0.00 -0.55 0.00 0.00 56.30 55.56 1wut h ASN 588 Cb 0.00 -0.14 -0.01 0.00 0.05 0.00 0.00 38.32 38.23 1wut h ASN 588 CO -0.00 0.51 -0.38 0.03 -1.65 0.00 0.00 177.43 175.93 1wut h ARG 589 N 0.59 0.76 -0.52 0.81 3.08 -0.86 -2.09 114.38 116.16 1wut h ARG 589 Ca 0.14 -0.39 -0.07 0.00 0.07 0.00 0.00 59.98 59.74 1wut h ARG 589 Cb 0.14 0.01 -0.02 0.00 0.08 0.00 0.00 29.97 30.18 1wut h ARG 589 CO -0.01 1.01 0.05 0.82 -1.07 0.00 0.00 179.97 180.78 1wut h ILE 590 N 0.63 1.26 0.00 2.04 2.04 -0.75 -1.78 117.51 120.94 1wut h ILE 590 Ca 0.05 -1.00 -0.03 0.00 1.00 0.00 0.00 64.86 64.89 1wut h ILE 590 Cb 0.93 0.89 -0.00 0.00 -0.74 0.00 0.00 36.82 37.90 1wut h ILE 590 CO 0.09 0.36 -0.16 0.11 0.00 0.00 0.00 178.15 178.54 1wut h LYS 591 N 0.75 0.00 0.03 2.37 1.79 -1.13 -1.29 116.57 119.09 1wut h LYS 591 Ca 0.15 0.00 -0.09 0.00 -2.18 0.00 0.00 60.65 58.53 1wut h LYS 591 Cb 0.44 0.00 0.01 0.00 -1.58 0.00 0.00 32.23 31.10 1wut h LYS 591 CO 0.02 0.16 -0.39 -0.22 -1.08 0.00 0.00 179.45 177.93 1wut h LYS 592 N 0.00 0.21 -2.82 3.15 1.63 -0.84 -3.39 116.57 114.51 1wut h LYS 592 Ca -0.00 -0.27 -0.61 0.00 -0.85 0.00 0.00 60.65 58.92 1wut h LYS 592 Cb 0.36 0.08 -0.41 0.00 -0.60 0.00 0.00 32.23 31.67 1wut h LYS 592 CO 0.02 1.03 -0.71 0.39 -3.45 0.00 0.00 179.45 176.73 1wut n GLU 593 N -4.40 1.32 -0.25 1.90 1.02 -0.72 -4.99 120.64 114.52 1wut n GLU 593 Ca -0.11 -4.06 0.01 0.00 -0.02 0.00 0.00 57.16 52.98 1wut n GLU 593 Cb 0.60 -2.08 0.14 0.00 -0.02 0.00 0.00 31.44 30.07 1wut n GLU 593 CO 0.00 0.00 0.00 -1.35 1.18 0.00 0.00 177.13 176.96 1wut h PRO 594 N 5.42 0.65 -0.88 3.49 0.11 -1.45 -2.89 132.00 136.45 1wut h PRO 594 Ca 0.19 -0.04 -0.14 0.00 0.11 0.00 0.00 66.00 66.12 1wut h PRO 594 Cb 0.80 -0.15 -0.08 0.00 0.11 0.00 0.00 31.00 31.68 1wut h PRO 594 CO 0.61 0.43 0.17 0.09 -0.21 0.00 0.00 178.00 179.09 1wut n ASN 595 N -4.82 3.50 -4.85 -2.05 4.13 -1.26 -4.85 115.26 105.05 1wut n ASN 595 Ca 0.11 -2.68 -0.36 0.00 1.68 0.00 0.00 54.58 53.33 1wut n ASN 595 Cb 0.25 -0.64 -0.06 0.00 -1.54 0.00 0.00 39.78 37.79 1wut n ASN 595 CO 0.00 0.00 0.00 -0.75 0.28 0.00 0.00 177.26 176.79 1wut s LYS 596 N -1.87 3.37 0.11 3.52 2.36 -1.09 -5.07 119.74 121.06 1wut s LYS 596 Ca 0.30 -0.20 -0.30 0.00 -2.55 0.00 0.00 55.97 53.23 1wut s LYS 596 Cb 0.24 -3.12 -0.06 0.00 -1.05 0.00 0.00 37.83 33.85 1wut s LYS 596 CO 0.07 0.76 1.03 0.12 1.55 0.00 0.00 175.35 178.88 1wut s PHE 597 N -1.04 3.69 0.01 4.03 5.36 -1.26 -5.04 117.98 123.73 1wut s PHE 597 Ca 0.16 1.67 0.01 0.00 -0.96 0.00 0.00 56.93 57.82 1wut s PHE 597 Cb -0.12 -3.17 -0.01 0.00 -0.34 0.00 0.00 43.02 39.38 1wut s PHE 597 CO 0.05 -0.23 -0.05 0.14 -1.46 0.00 0.00 175.22 173.68 1wut s VAL 598 N 0.18 0.32 0.04 3.12 -7.23 -1.26 -5.11 120.40 110.46 1wut s VAL 598 Ca 0.50 -0.55 -0.30 0.00 -1.81 0.00 0.00 61.98 59.81 1wut s VAL 598 Cb -0.25 -0.35 -0.08 0.00 0.56 0.00 0.00 36.38 36.26 1wut s VAL 598 CO 0.31 -0.16 1.75 -0.69 -0.31 0.00 0.00 175.10 176.00 1wut s VAL 599 N -0.70 3.11 0.46 1.32 1.01 -1.26 -4.94 120.40 119.40 1wut s VAL 599 Ca -0.05 0.38 -0.25 0.00 0.00 0.00 0.00 61.98 62.06 1wut s VAL 599 Cb -0.05 -3.25 -0.08 0.00 0.00 0.00 0.00 36.38 33.00 1wut s VAL 599 CO -0.00 -0.02 1.39 -2.84 0.00 0.00 0.00 175.10 173.63 1wut s PRO 600 N 3.42 3.62 0.00 2.72 0.02 -1.26 -4.92 135.00 138.61 1wut s PRO 600 Ca 0.78 2.33 -0.01 0.00 0.02 0.00 0.00 61.00 64.12 1wut s PRO 600 Cb -0.40 -2.59 -0.01 0.00 0.02 0.00 0.00 34.50 31.53 1wut s PRO 600 CO 0.34 -0.84 0.01 1.03 -0.33 0.00 0.00 177.00 177.21 1wut s ARG 601 N -2.52 0.17 -0.30 5.54 0.52 -0.63 -0.74 118.95 120.99 1wut s ARG 601 Ca 0.62 -0.26 0.03 0.00 -0.52 0.00 0.00 55.73 55.61 1wut s ARG 601 Cb -0.42 0.06 0.08 0.00 0.52 0.00 0.00 34.95 35.20 1wut s ARG 601 CO 0.53 -0.03 -0.02 0.99 0.02 0.00 0.00 175.30 176.80 1wut s THR 602 N -0.68 2.10 -0.24 0.02 2.01 0.29 -2.35 115.64 116.79 1wut s THR 602 Ca -0.07 -1.94 -0.12 0.00 0.31 0.00 0.00 61.69 59.86 1wut s THR 602 Cb -0.05 -2.41 -0.05 0.00 0.01 0.00 0.00 72.50 70.01 1wut s THR 602 CO -0.00 -0.35 0.25 0.54 -0.69 0.00 0.00 174.62 174.37 1wut s VAL 603 N 1.05 5.29 -0.16 3.82 0.11 -0.61 -0.91 120.40 129.00 1wut s VAL 603 Ca 0.02 0.35 -0.02 0.00 -2.93 0.00 0.00 61.98 59.40 1wut s VAL 603 Cb -0.19 -3.59 -0.02 0.00 -1.53 0.00 0.00 36.38 31.05 1wut s VAL 603 CO -0.08 0.28 -0.08 -0.04 -3.33 0.00 0.00 175.10 171.85 1wut s MET 604 N 1.42 3.48 -0.07 1.54 -1.94 0.18 -1.39 119.30 122.51 1wut s MET 604 Ca 0.11 -0.62 0.03 0.00 -1.71 0.00 0.00 55.69 53.50 1wut s MET 604 Cb -0.15 -2.80 0.01 0.00 2.01 0.00 0.00 34.83 33.90 1wut s MET 604 CO 0.07 0.15 -0.17 0.42 -0.01 0.00 0.00 175.02 175.48 1wut s ILE 605 N 0.56 1.47 0.02 2.53 1.01 -0.48 -0.89 121.20 125.42 1wut s ILE 605 Ca -0.06 -0.68 -0.10 0.00 0.00 0.00 0.00 60.65 59.81 1wut s ILE 605 Cb -0.15 -1.30 0.01 0.00 0.01 0.00 0.00 42.46 41.02 1wut s ILE 605 CO 0.03 0.43 0.20 -0.83 0.00 0.00 0.00 174.94 174.77 1wut s GLY 606 N 0.48 0.01 0.00 6.18 0.00 -0.73 -0.35 107.32 112.90 1wut s GLY 606 Ca -0.15 -0.13 0.00 0.00 0.00 0.00 0.00 44.72 44.44 1wut s GLY 606 CO 0.05 -0.30 0.00 0.61 0.00 0.00 0.00 173.10 173.46 1wut n GLY 607 N 1.03 3.52 3.90 0.20 0.00 -1.25 -2.16 105.19 110.43 1wut n GLY 607 Ca -0.21 -0.84 -0.33 0.00 0.00 0.00 0.00 46.02 44.65 1wut n GLY 607 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1wut s LYS 608 N -2.21 3.49 -0.08 1.61 1.02 -1.26 -4.69 119.74 117.61 1wut s LYS 608 Ca 0.00 -0.28 0.01 0.00 0.02 0.00 0.00 55.97 55.71 1wut s LYS 608 Cb 0.00 -3.04 -0.03 0.00 -0.52 0.00 0.00 37.83 34.24 1wut s LYS 608 CO 0.00 0.62 -0.09 0.00 -0.92 0.00 0.00 175.35 174.96 1wut s ALA 609 N -1.42 2.87 0.36 5.17 0.00 -1.26 -1.20 121.76 126.28 1wut s ALA 609 Ca 0.32 -0.90 -0.28 0.00 0.00 0.00 0.00 51.96 51.09 1wut s ALA 609 Cb -0.13 -1.22 -0.11 0.00 0.00 0.00 0.00 23.12 21.67 1wut s ALA 609 CO 0.22 0.48 1.51 0.00 0.00 0.00 0.00 175.76 177.97 1wut n ALA 610 N 2.59 2.41 -0.27 0.00 0.00 -1.26 -4.87 120.51 119.10 1wut n ALA 610 Ca -0.18 0.35 0.24 0.00 0.00 0.00 0.00 53.44 53.85 1wut n ALA 610 Cb 0.53 -2.43 0.58 0.00 0.00 0.00 0.00 19.45 18.13 1wut n ALA 610 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.50 176.15 1wut h PRO 611 N 3.30 0.27 -0.01 0.00 0.11 -1.99 -1.75 132.00 131.92 1wut h PRO 611 Ca -0.50 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.59 1wut h PRO 611 Cb 1.24 -0.06 0.00 0.00 0.11 0.00 0.00 31.00 32.29 1wut h PRO 611 CO 0.67 0.18 -0.25 0.41 -0.21 0.00 0.00 178.00 178.80 1wut n GLY 612 N -1.57 -0.37 3.55 -0.55 0.00 -1.26 -4.75 105.19 100.24 1wut n GLY 612 Ca 0.22 -0.46 -0.42 0.00 0.00 0.00 0.00 46.02 45.37 1wut n GLY 612 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1wut s TYR 613 N -2.41 2.75 0.17 1.61 6.04 -0.66 -4.88 117.35 119.97 1wut s TYR 613 Ca 0.26 -1.30 -0.17 0.00 0.04 0.00 0.00 57.07 55.90 1wut s TYR 613 Cb 0.19 -4.66 0.10 0.00 -1.04 0.00 0.00 41.96 36.55 1wut s TYR 613 CO 0.49 -1.81 1.67 1.25 -1.54 0.00 0.00 175.55 175.61 1wut h HIS 614 N 8.63 -0.23 -0.68 4.97 -0.00 -1.85 -1.92 115.15 124.08 1wut h HIS 614 Ca 0.31 0.04 0.01 0.00 -0.00 0.00 0.00 60.37 60.72 1wut h HIS 614 Cb 0.94 0.16 -0.04 0.00 -0.00 0.00 0.00 27.41 28.48 1wut h HIS 614 CO 1.32 -0.18 0.44 1.98 -0.00 0.00 0.00 177.93 181.49 1wut h MET 615 N -0.01 0.87 -0.13 5.26 1.85 -1.98 -1.15 114.93 119.64 1wut h MET 615 Ca 0.19 -0.05 -0.04 0.00 -0.61 0.00 0.00 59.70 59.19 1wut h MET 615 Cb 0.30 -0.20 -0.01 0.00 0.43 0.00 0.00 31.60 32.13 1wut h MET 615 CO -0.42 0.58 -0.09 0.00 -0.40 0.00 0.00 176.91 176.57 1wut h ALA 616 N 1.26 1.60 0.00 0.39 0.00 -1.77 -1.32 119.26 119.42 1wut h ALA 616 Ca 0.25 -0.16 -0.14 0.00 0.00 0.00 0.00 54.91 54.86 1wut h ALA 616 Cb -0.08 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 17.61 1wut h ALA 616 CO -0.06 0.29 -0.68 0.87 0.00 0.00 0.00 179.25 179.67 1wut h LYS 617 N 0.20 0.00 -0.03 0.00 1.57 -0.72 -2.98 116.57 114.60 1wut h LYS 617 Ca 0.04 0.00 -0.14 0.00 -1.87 0.00 0.00 60.65 58.68 1wut h LYS 617 Cb 0.29 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.59 1wut h LYS 617 CO 0.02 0.68 -0.62 0.52 -0.57 0.00 0.00 179.45 179.47 1wut h MET 618 N 0.00 0.13 -0.17 3.15 2.86 -0.26 -3.03 114.93 117.61 1wut h MET 618 Ca -0.01 -0.09 -0.15 0.00 -2.06 0.00 0.00 59.70 57.39 1wut h MET 618 Cb 1.36 0.02 -0.01 0.00 0.06 0.00 0.00 31.60 33.03 1wut h MET 618 CO 0.09 0.71 -0.54 0.82 1.06 0.00 0.00 176.91 179.05 1wut h ILE 619 N 0.09 1.33 -0.71 -1.22 2.04 -1.19 -2.01 117.51 115.84 1wut h ILE 619 Ca -0.01 -1.79 -0.07 0.00 1.00 0.00 0.00 64.86 63.99 1wut h ILE 619 Cb 1.12 1.78 -0.03 0.00 -0.74 0.00 0.00 36.82 38.95 1wut h ILE 619 CO 0.09 0.55 0.17 0.40 0.00 0.00 0.00 178.15 179.36 1wut h ILE 620 N 0.39 1.26 -0.21 -0.67 2.04 -1.44 -1.78 117.51 117.10 1wut h ILE 620 Ca 0.01 -0.98 -0.09 0.00 1.00 0.00 0.00 64.86 64.80 1wut h ILE 620 Cb 1.06 0.53 -0.01 0.00 -0.74 0.00 0.00 36.82 37.66 1wut h ILE 620 CO 0.10 0.38 -0.27 0.50 0.00 0.00 0.00 178.15 178.86 1wut h LYS 621 N 1.08 0.40 -0.31 2.37 1.63 -1.41 -2.07 116.57 118.26 1wut h LYS 621 Ca 0.22 -0.15 -0.05 0.00 -0.85 0.00 0.00 60.65 59.82 1wut h LYS 621 Cb 0.37 -0.02 -0.01 0.00 -0.60 0.00 0.00 32.23 31.97 1wut h LYS 621 CO 0.00 0.64 -0.01 1.25 -3.45 0.00 0.00 179.45 177.89 1wut h LEU 622 N 0.36 0.54 -0.09 5.20 6.46 -1.02 -0.11 115.31 126.64 1wut h LEU 622 Ca 0.05 -0.32 0.00 0.00 -0.12 0.00 0.00 57.88 57.50 1wut h LEU 622 Cb 0.66 -0.15 -0.00 0.00 -0.73 0.00 0.00 40.66 40.44 1wut h LEU 622 CO 0.05 0.73 0.06 0.40 -0.62 0.00 0.00 178.44 179.05 1wut h ILE 623 N 0.34 1.03 -0.10 4.05 2.04 -1.12 0.33 117.51 124.08 1wut h ILE 623 Ca 0.09 -0.07 -0.07 0.00 1.00 0.00 0.00 64.86 65.80 1wut h ILE 623 Cb 0.46 0.92 -0.01 0.00 -0.74 0.00 0.00 36.82 37.45 1wut h ILE 623 CO 0.02 0.03 -0.27 0.71 0.00 0.00 0.00 178.15 178.64 1wut h THR 624 N 0.11 1.23 -0.49 -0.27 1.35 -1.35 -1.94 112.91 111.55 1wut h THR 624 Ca 0.03 -1.09 -0.12 0.00 -0.55 0.00 0.00 66.41 64.67 1wut h THR 624 Cb 0.00 1.46 -0.01 0.00 -1.73 0.00 0.00 68.15 67.87 1wut h THR 624 CO -0.01 0.33 -0.18 0.00 -0.25 0.00 0.00 175.52 175.41 1wut h ALA 625 N 1.58 0.75 -0.40 6.62 0.00 -0.45 -1.43 119.26 125.92 1wut h ALA 625 Ca 0.02 -0.38 -0.04 0.00 0.00 0.00 0.00 54.91 54.52 1wut h ALA 625 Cb 0.56 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.16 1wut h ALA 625 CO 0.04 0.67 0.10 0.82 0.00 0.00 0.00 179.25 180.88 1wut h ILE 626 N 0.85 1.23 -0.71 0.00 2.04 -0.63 -2.77 117.51 117.52 1wut h ILE 626 Ca 0.12 -0.78 0.02 0.00 1.00 0.00 0.00 64.86 65.22 1wut h ILE 626 Cb 0.75 0.98 -0.04 0.00 -0.74 0.00 0.00 36.82 37.77 1wut h ILE 626 CO 0.06 0.27 0.47 1.23 0.00 0.00 0.00 178.15 180.18 1wut h GLY 627 N 0.50 0.99 1.01 5.37 0.00 -1.11 0.05 103.07 109.88 1wut h GLY 627 Ca 0.13 -0.35 0.00 0.00 0.00 0.00 0.00 47.33 47.11 1wut h GLY 627 CO 0.00 0.33 0.52 -0.55 0.00 0.00 0.00 176.54 176.83 1wut h ASP 628 N 0.91 0.93 0.18 0.19 3.45 -0.99 0.99 116.42 122.08 1wut h ASP 628 Ca 0.27 -0.04 -0.01 0.00 0.43 0.00 0.00 57.03 57.69 1wut h ASP 628 Cb -0.02 -0.23 0.00 0.00 -0.56 0.00 0.00 39.33 38.52 1wut h ASP 628 CO -0.07 0.69 -0.09 0.58 -1.57 0.00 0.00 179.24 178.78 1wut h VAL 629 N 1.08 0.44 -0.74 -1.35 2.07 -1.25 -3.33 116.25 113.18 1wut h VAL 629 Ca 0.29 -1.03 -0.00 0.00 0.82 0.00 0.00 66.70 66.77 1wut h VAL 629 Cb -0.10 0.77 -0.04 0.00 -1.52 0.00 0.00 31.29 30.40 1wut h VAL 629 CO -0.06 0.13 0.44 0.58 0.02 0.00 0.00 177.57 178.68 1wut h VAL 630 N -1.00 1.21 0.00 2.57 2.07 -1.01 -2.92 116.25 117.17 1wut h VAL 630 Ca -0.02 -0.47 0.00 0.00 0.82 0.00 0.00 66.70 67.03 1wut h VAL 630 Cb 0.39 0.19 0.00 0.00 -1.52 0.00 0.00 31.29 30.35 1wut h VAL 630 CO 0.04 0.22 0.00 0.59 0.02 0.00 0.00 177.57 178.44 1wut n ASN 631 N -4.51 0.00 -0.01 0.57 3.02 0.34 -3.24 115.26 111.43 1wut n ASN 631 Ca 0.07 0.29 0.01 0.00 -0.03 0.00 0.00 54.58 54.91 1wut n ASN 631 Cb 0.06 -0.41 0.01 0.00 -0.61 0.00 0.00 39.78 38.83 1wut n ASN 631 CO 0.00 0.00 0.00 1.41 -2.62 0.00 0.00 177.26 176.05 1wut n HIS 632 N -1.41 0.00 -2.97 3.10 8.25 -1.11 -4.97 115.22 116.11 1wut n HIS 632 Ca 0.07 -0.51 -0.42 0.00 -0.26 0.00 0.00 57.72 56.60 1wut n HIS 632 Cb 0.20 -0.05 -0.05 0.00 1.12 0.00 0.00 29.99 31.20 1wut n HIS 632 CO 0.00 0.00 0.00 0.34 0.64 0.00 0.00 176.34 177.32 1wut s ASP 633 N -1.09 6.54 0.45 0.41 -1.08 -1.14 -4.94 116.67 115.81 1wut s ASP 633 Ca 0.02 0.32 0.12 0.00 -0.52 0.00 0.00 52.55 52.49 1wut s ASP 633 Cb 0.02 -2.39 1.02 0.00 -1.46 0.00 0.00 42.92 40.11 1wut s ASP 633 CO 0.00 -0.72 2.06 -0.65 0.52 0.00 0.00 175.17 176.38 1wut h PRO 634 N 8.49 0.22 0.00 4.34 0.11 -1.93 -2.25 132.00 140.98 1wut h PRO 634 Ca -0.25 -0.02 -0.07 0.00 0.11 0.00 0.00 66.00 65.77 1wut h PRO 634 Cb 1.10 -0.04 -0.01 0.00 0.11 0.00 0.00 31.00 32.15 1wut h PRO 634 CO 0.90 0.21 -0.34 0.28 -0.21 0.00 0.00 178.00 178.85 1wut h VAL 635 N 0.22 1.18 -0.18 3.15 2.07 -1.98 -2.86 116.25 117.85 1wut h VAL 635 Ca 0.06 -1.18 -0.18 0.00 0.82 0.00 0.00 66.70 66.22 1wut h VAL 635 Cb 0.09 1.64 -0.00 0.00 -1.52 0.00 0.00 31.29 31.50 1wut h VAL 635 CO -0.00 0.33 -0.61 0.58 0.02 0.00 0.00 177.57 177.89 1wut h VAL 636 N 0.00 1.32 0.00 2.57 2.07 -1.76 -3.48 116.25 116.97 1wut h VAL 636 Ca -0.00 -1.86 0.00 0.00 0.82 0.00 0.00 66.70 65.66 1wut h VAL 636 Cb 0.62 1.82 0.00 0.00 -1.52 0.00 0.00 31.29 32.21 1wut h VAL 636 CO 0.04 0.58 0.00 0.61 0.02 0.00 0.00 177.57 178.83 1wut n GLY 637 N 0.38 2.75 1.57 2.17 0.00 -1.08 -2.38 105.19 108.59 1wut n GLY 637 Ca -0.04 -0.39 0.08 0.00 0.00 0.00 0.00 46.02 45.67 1wut n GLY 637 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1wut n ASP 638 N 2.19 4.65 0.20 1.61 5.75 -1.26 -4.34 116.55 125.36 1wut n ASP 638 Ca 0.00 -2.53 0.12 0.00 -0.01 0.00 0.00 54.79 52.37 1wut n ASP 638 Cb 0.00 -0.59 0.24 0.00 -1.03 0.00 0.00 41.12 39.74 1wut n ASP 638 CO 0.00 0.00 0.00 0.03 -0.11 0.00 0.00 177.20 177.12 1wut h ARG 639 N 3.72 0.00 -2.18 0.11 3.08 -1.82 -3.43 114.38 113.86 1wut h ARG 639 Ca 0.00 0.00 -0.04 0.00 0.07 0.00 0.00 59.98 60.01 1wut h ARG 639 Cb 1.49 0.00 -0.25 0.00 0.08 0.00 0.00 29.97 31.29 1wut h ARG 639 CO 0.28 0.00 -0.31 -1.17 -1.07 0.00 0.00 179.97 177.71 1wut s LEU 640 N -5.91 -0.85 -0.04 3.04 2.96 -1.26 -1.61 118.68 115.02 1wut s LEU 640 Ca 0.07 1.07 0.05 0.00 -0.22 0.00 0.00 54.13 55.10 1wut s LEU 640 Cb 0.06 1.66 -0.01 0.00 0.50 0.00 0.00 46.19 48.41 1wut s LEU 640 CO 0.65 -0.24 -0.20 -0.13 -1.32 0.00 0.00 176.35 175.11 1wut s ARG 641 N 2.71 1.93 -0.27 1.98 1.81 -0.99 -4.63 118.95 121.48 1wut s ARG 641 Ca 0.00 -0.73 -0.03 0.00 -1.72 0.00 0.00 55.73 53.26 1wut s ARG 641 Cb -0.13 -1.72 0.03 0.00 -0.45 0.00 0.00 34.95 32.68 1wut s ARG 641 CO -0.16 0.35 -0.02 0.08 -0.68 0.00 0.00 175.30 174.88 1wut s VAL 642 N -0.20 3.08 -0.07 3.52 1.01 -1.26 -1.57 120.40 124.92 1wut s VAL 642 Ca 0.00 -1.11 0.05 0.00 0.00 0.00 0.00 61.98 60.93 1wut s VAL 642 Cb -0.11 -2.65 -0.01 0.00 0.00 0.00 0.00 36.38 33.62 1wut s VAL 642 CO 0.01 0.07 -0.23 -0.63 0.00 0.00 0.00 175.10 174.32 1wut s ILE 643 N 1.33 1.95 -0.35 2.22 1.09 -0.49 -4.55 121.20 122.40 1wut s ILE 643 Ca -0.01 -0.99 -0.14 0.00 -1.10 0.00 0.00 60.65 58.40 1wut s ILE 643 Cb -0.18 -1.67 -0.01 0.00 -1.06 0.00 0.00 42.46 39.54 1wut s ILE 643 CO -0.02 0.54 0.31 0.12 -0.10 0.00 0.00 174.94 175.79 1wut s PHE 644 N 0.05 3.22 -0.54 3.97 2.19 -1.26 -1.38 117.98 124.23 1wut s PHE 644 Ca -0.09 -0.14 -0.28 0.00 0.33 0.00 0.00 56.93 56.75 1wut s PHE 644 Cb -0.15 -2.59 0.02 0.00 -1.31 0.00 0.00 43.02 38.99 1wut s PHE 644 CO 0.05 -0.42 1.30 -0.51 1.83 0.00 0.00 175.22 177.47 1wut s LEU 645 N 1.88 3.47 0.39 6.12 1.02 0.52 -4.95 118.68 127.12 1wut s LEU 645 Ca 0.09 0.31 -0.26 0.00 0.02 0.00 0.00 54.13 54.29 1wut s LEU 645 Cb -0.17 -3.22 -0.09 0.00 0.02 0.00 0.00 46.19 42.73 1wut s LEU 645 CO 0.11 -1.54 1.25 -0.70 0.02 0.00 0.00 176.35 175.49 1wut s GLU 646 N 5.11 4.07 -1.35 1.70 2.12 -1.26 -3.90 118.70 125.18 1wut s GLU 646 Ca 0.50 2.03 -0.04 0.00 0.36 0.00 0.00 54.97 57.82 1wut s GLU 646 Cb -0.09 -2.78 -0.00 0.00 0.26 0.00 0.00 34.13 31.52 1wut s GLU 646 CO 0.27 -0.37 0.50 -1.71 -0.54 0.00 0.00 175.26 173.41 1wut n ASN 647 N 0.23 -1.23 -4.70 -1.70 5.15 -1.25 -4.87 115.26 106.89 1wut n ASN 647 Ca 0.03 -1.01 -0.42 0.00 -0.60 0.00 0.00 54.58 52.59 1wut n ASN 647 Cb 0.44 -3.12 -0.03 0.00 -0.53 0.00 0.00 39.78 36.54 1wut n ASN 647 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1wut n TYR 648 N -4.38 2.66 -3.95 1.20 9.36 -1.26 -4.85 117.16 115.96 1wut n TYR 648 Ca -0.27 -0.13 -0.12 0.00 3.32 0.00 0.00 57.90 60.70 1wut n TYR 648 Cb 0.67 -2.73 -0.00 0.00 -0.63 0.00 0.00 39.34 36.65 1wut n TYR 648 CO 0.00 0.00 0.00 2.89 0.22 0.00 0.00 176.86 179.97 1wut n ARG 649 N 5.37 0.91 -0.05 2.98 1.85 -1.26 -4.75 116.66 121.72 1wut n ARG 649 Ca 0.18 -2.59 -0.08 0.00 -1.00 0.00 0.00 57.85 54.36 1wut n ARG 649 Cb 0.37 2.77 -0.02 0.00 -1.05 0.00 0.00 32.46 34.54 1wut n ARG 649 CO 0.00 0.00 0.00 0.28 -0.01 0.00 0.00 177.63 177.90 1wut h VAL 650 N 2.02 0.65 -0.52 8.89 2.07 -1.96 0.11 116.25 127.51 1wut h VAL 650 Ca -0.30 0.00 -0.02 0.00 0.82 0.00 0.00 66.70 67.19 1wut h VAL 650 Cb 1.23 0.65 -0.03 0.00 -1.52 0.00 0.00 31.29 31.62 1wut h VAL 650 CO 0.40 0.00 0.22 0.77 0.02 0.00 0.00 177.57 178.98 1wut h SER 651 N -0.08 0.66 0.36 0.57 4.64 -1.96 -1.68 113.55 116.06 1wut h SER 651 Ca 0.13 -0.07 -0.14 0.00 -0.47 0.00 0.00 61.79 61.23 1wut h SER 651 Cb 0.27 -0.17 -0.01 0.00 -0.31 0.00 0.00 62.40 62.18 1wut h SER 651 CO -0.29 0.59 -0.59 0.25 -0.87 0.00 0.00 176.83 175.93 1wut h LEU 652 N 0.73 0.26 -0.99 5.97 5.85 -1.69 -2.98 115.31 122.46 1wut h LEU 652 Ca 0.18 -0.15 -0.06 0.00 0.84 0.00 0.00 57.88 58.69 1wut h LEU 652 Cb 0.13 -0.07 -0.02 0.00 0.37 0.00 0.00 40.66 41.06 1wut h LEU 652 CO -0.02 0.79 0.05 0.00 -0.34 0.00 0.00 178.44 178.92 1wut h ALA 653 N 1.21 1.17 0.00 1.25 0.00 0.05 -1.84 119.26 121.10 1wut h ALA 653 Ca -0.00 -0.23 0.00 0.00 0.00 0.00 0.00 54.91 54.67 1wut h ALA 653 Cb 1.08 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 18.67 1wut h ALA 653 CO 0.09 0.55 0.00 0.93 0.00 0.00 0.00 179.25 180.82 1wut h GLU 654 N 0.74 0.00 0.02 0.00 5.08 -1.18 -2.44 114.58 116.81 1wut h GLU 654 Ca 0.15 0.00 -0.34 0.00 -1.00 0.00 0.00 59.36 58.17 1wut h GLU 654 Cb 0.38 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 29.58 1wut h GLU 654 CO 0.01 0.00 -1.89 1.63 -1.00 0.00 0.00 179.01 177.76 1wut n LYS 655 N -3.00 0.61 -0.05 2.33 5.02 -0.75 -4.46 118.16 117.86 1wut n LYS 655 Ca -0.02 0.39 -0.13 0.00 -2.02 0.00 0.00 58.31 56.53 1wut n LYS 655 Cb 0.13 -1.64 -0.08 0.00 -0.02 0.00 0.00 35.03 33.42 1wut n LYS 655 CO 0.00 0.00 0.00 -0.39 -0.52 0.00 0.00 177.40 176.49 1wut h VAL 656 N -0.73 1.36 -0.42 -0.18 -1.51 -1.36 -3.33 116.25 110.09 1wut h VAL 656 Ca -0.49 -1.36 0.08 0.00 -1.23 0.00 0.00 66.70 63.70 1wut h VAL 656 Cb 1.58 1.97 -0.07 0.00 -2.13 0.00 0.00 31.29 32.63 1wut h VAL 656 CO -0.22 0.40 -0.05 0.40 -1.23 0.00 0.00 177.57 176.87 1wut h ILE 657 N -0.07 0.63 0.00 7.19 2.04 -1.70 -0.07 117.51 125.53 1wut h ILE 657 Ca 0.02 -0.02 0.00 0.00 1.00 0.00 0.00 64.86 65.86 1wut h ILE 657 Cb 0.71 0.57 0.00 0.00 -0.74 0.00 0.00 36.82 37.36 1wut h ILE 657 CO 0.04 0.01 0.00 -0.65 0.00 0.00 0.00 178.15 177.55 1wut h PRO 658 N 0.05 0.00 -0.02 2.37 0.11 -1.78 -2.32 132.00 130.41 1wut h PRO 658 Ca 0.21 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.32 1wut h PRO 658 Cb 0.31 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.42 1wut h PRO 658 CO -0.39 0.00 -0.40 0.00 -0.21 0.00 0.00 178.00 177.00 1wut n ALA 659 N -1.88 3.38 -1.88 -0.75 0.00 -0.11 -4.75 120.51 114.52 1wut n ALA 659 Ca -0.00 -0.63 -0.35 0.00 0.00 0.00 0.00 53.44 52.46 1wut n ALA 659 Cb 0.14 -0.83 -0.06 0.00 0.00 0.00 0.00 19.45 18.69 1wut n ALA 659 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1wut s ALA 660 N -2.42 3.21 -0.20 0.00 0.00 -0.76 -4.61 121.76 116.98 1wut s ALA 660 Ca 0.20 0.38 -0.01 0.00 0.00 0.00 0.00 51.96 52.53 1wut s ALA 660 Cb 0.18 -3.07 -0.12 0.00 0.00 0.00 0.00 23.12 20.11 1wut s ALA 660 CO 0.53 0.21 -0.20 -0.25 0.00 0.00 0.00 175.76 176.05 1wut n ASP 661 N 0.20 2.25 -4.11 0.00 8.00 -0.61 -4.13 116.55 118.14 1wut n ASP 661 Ca 0.03 -0.03 -0.31 0.00 0.71 0.00 0.00 54.79 55.19 1wut n ASP 661 Cb 0.52 -0.38 -0.16 0.00 -0.02 0.00 0.00 41.12 41.07 1wut n ASP 661 CO 0.00 0.00 0.00 -0.22 -0.39 0.00 0.00 177.20 176.59 1wut s LEU 662 N -6.38 1.95 -0.27 0.64 0.20 -0.69 -0.52 118.68 113.61 1wut s LEU 662 Ca -0.27 -0.55 -0.11 0.00 0.69 0.00 0.00 54.13 53.88 1wut s LEU 662 Cb 0.08 -1.32 -0.05 0.00 -0.43 0.00 0.00 46.19 44.47 1wut s LEU 662 CO 0.44 0.03 0.20 -0.55 -0.29 0.00 0.00 176.35 176.18 1wut s SER 663 N 1.03 6.07 -0.45 3.68 0.15 -0.14 -1.63 113.70 122.41 1wut s SER 663 Ca -0.03 0.05 -0.21 0.00 0.70 0.00 0.00 55.95 56.46 1wut s SER 663 Cb -0.15 -2.13 0.03 0.00 -1.71 0.00 0.00 66.02 62.07 1wut s SER 663 CO -0.05 -0.03 0.65 -1.61 1.20 0.00 0.00 173.24 173.40 1wut s GLU 664 N 1.61 3.26 -0.56 5.44 0.41 -0.89 -1.99 118.70 125.97 1wut s GLU 664 Ca 0.08 -0.44 0.07 0.00 -0.41 0.00 0.00 54.97 54.27 1wut s GLU 664 Cb -0.15 -3.98 0.24 0.00 -1.78 0.00 0.00 34.13 28.46 1wut s GLU 664 CO 0.09 -1.06 0.65 1.04 -0.49 0.00 0.00 175.26 175.49 1wut n GLN 665 N 6.30 1.84 -1.67 1.61 1.13 -0.94 -4.78 117.38 120.88 1wut n GLN 665 Ca -0.02 -4.16 -0.31 0.00 -1.94 0.00 0.00 57.00 50.57 1wut n GLN 665 Cb 0.47 -1.91 0.05 0.00 0.11 0.00 0.00 30.24 28.97 1wut n GLN 665 CO 0.00 0.00 0.00 0.44 -1.44 0.00 0.00 177.06 176.06 1wut n ILE 666 N 1.15 3.21 -1.89 5.09 -5.35 -1.26 -2.53 119.36 117.77 1wut n ILE 666 Ca 0.27 -3.57 -0.32 0.00 -0.27 0.00 0.00 62.75 58.85 1wut n ILE 666 Cb 0.45 -1.17 0.03 0.00 -1.74 0.00 0.00 39.64 37.21 1wut n ILE 666 CO 0.00 0.00 0.00 -0.94 -1.76 0.00 0.00 176.55 173.85 1wut s SER 667 N -2.44 5.59 0.18 7.28 1.04 -1.25 -4.59 113.70 119.51 1wut s SER 667 Ca 0.58 1.80 -0.31 0.00 0.48 0.00 0.00 55.95 58.50 1wut s SER 667 Cb 0.47 -2.53 -0.10 0.00 0.10 0.00 0.00 66.02 63.96 1wut s SER 667 CO -0.04 -1.30 1.56 -0.89 0.98 0.00 0.00 173.24 173.55 1wut s THR 668 N -2.57 2.57 -0.07 2.02 2.01 -1.17 -4.68 115.64 113.74 1wut s THR 668 Ca 0.63 0.42 -0.38 0.00 0.31 0.00 0.00 61.69 62.66 1wut s THR 668 Cb -0.16 -3.27 -0.16 0.00 0.01 0.00 0.00 72.50 68.91 1wut s THR 668 CO 0.42 0.04 1.49 0.00 -0.69 0.00 0.00 174.62 175.88 1wut n ALA 669 N 3.70 -0.77 -0.12 7.40 0.00 -1.26 -1.81 120.51 127.65 1wut n ALA 669 Ca 0.13 0.47 0.00 0.00 0.00 0.00 0.00 53.44 54.04 1wut n ALA 669 Cb 0.38 -2.12 0.00 0.00 0.00 0.00 0.00 19.45 17.71 1wut n ALA 669 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1wut n GLY 670 N 3.16 0.57 0.10 0.00 0.00 -1.26 -4.67 105.19 103.08 1wut n GLY 670 Ca 0.22 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 46.12 1wut n GLY 670 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1wut n THR 671 N -2.00 1.34 -3.03 2.61 -2.24 -0.75 -4.84 114.28 105.38 1wut n THR 671 Ca 0.00 -0.73 -0.44 0.00 -2.27 0.00 0.00 64.05 60.61 1wut n THR 671 Cb 0.00 -0.76 -0.05 0.00 -2.10 0.00 0.00 70.33 67.42 1wut n THR 671 CO 0.00 0.00 0.00 -0.70 -0.57 0.00 0.00 175.07 173.80 1wut s GLU 672 N -2.47 3.13 0.25 -0.78 2.56 -1.26 -4.71 118.70 115.42 1wut s GLU 672 Ca -0.17 -0.88 -0.11 0.00 0.00 0.00 0.00 54.97 53.81 1wut s GLU 672 Cb 0.07 -4.16 0.36 0.00 2.00 0.00 0.00 34.13 32.40 1wut s GLU 672 CO 0.72 -1.48 1.57 0.00 -0.56 0.00 0.00 175.26 175.51 1wut h ALA 673 N 9.22 0.49 0.00 6.30 0.00 -1.88 -2.88 119.26 130.50 1wut h ALA 673 Ca -0.28 0.33 0.00 0.00 0.00 0.00 0.00 54.91 54.96 1wut h ALA 673 Cb 1.08 0.76 0.00 0.00 0.00 0.00 0.00 17.79 19.63 1wut h ALA 673 CO 1.07 -0.45 0.00 0.45 0.00 0.00 0.00 179.25 180.32 1wut n SER 674 N -5.56 -1.10 0.00 0.00 2.88 -1.26 -4.21 113.62 104.38 1wut n SER 674 Ca 0.13 0.45 0.00 0.00 -1.33 0.00 0.00 58.87 58.11 1wut n SER 674 Cb 0.44 1.18 0.00 0.00 -0.75 0.00 0.00 64.21 65.08 1wut n SER 674 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1wut n GLY 675 N 0.50 -0.18 0.00 0.46 0.00 -1.26 -1.35 105.19 103.36 1wut n GLY 675 Ca 0.00 -1.56 0.00 0.00 0.00 0.00 0.00 46.02 44.46 1wut n GLY 675 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1wut n THR 676 N 0.27 0.00 -0.11 2.61 -2.24 -1.26 -4.76 114.28 108.78 1wut n THR 676 Ca 0.00 0.00 0.02 0.00 -2.27 0.00 0.00 64.05 61.80 1wut n THR 676 Cb 0.00 -0.02 0.33 0.00 -2.10 0.00 0.00 70.33 68.54 1wut n THR 676 CO 0.00 0.00 0.00 1.23 -0.57 0.00 0.00 175.07 175.73 1wut h GLY 677 N 0.00 0.83 0.60 3.38 0.00 -1.95 -1.15 103.07 104.78 1wut h GLY 677 Ca 0.00 -0.31 0.08 0.00 0.00 0.00 0.00 47.33 47.10 1wut h GLY 677 CO 0.00 0.31 0.48 3.45 0.00 0.00 0.00 176.54 180.78 1wut h ASN 678 N 0.80 0.72 0.08 0.19 -0.00 -1.94 -0.85 115.58 114.57 1wut h ASN 678 Ca 0.21 0.04 -0.12 0.00 -0.00 0.00 0.00 56.30 56.43 1wut h ASN 678 Cb -0.08 -0.11 -0.01 0.00 -0.00 0.00 0.00 38.32 38.12 1wut h ASN 678 CO -0.05 0.43 -0.40 0.24 -0.00 0.00 0.00 177.43 177.66 1wut h MET 679 N 0.84 0.42 -0.48 4.14 2.86 -1.55 -2.58 114.93 118.58 1wut h MET 679 Ca 0.38 -0.20 -0.03 0.00 -2.06 0.00 0.00 59.70 57.79 1wut h MET 679 Cb 0.28 -0.00 -0.02 0.00 0.06 0.00 0.00 31.60 31.92 1wut h MET 679 CO -0.22 0.75 0.18 0.87 1.06 0.00 0.00 176.91 179.55 1wut h LYS 680 N 0.35 0.73 -0.68 1.72 1.57 -0.44 -2.75 116.57 117.06 1wut h LYS 680 Ca 0.03 -0.14 -0.08 0.00 -1.87 0.00 0.00 60.65 58.59 1wut h LYS 680 Cb 0.85 -0.11 -0.03 0.00 0.08 0.00 0.00 32.23 33.02 1wut h LYS 680 CO 0.07 0.66 0.11 0.74 -0.57 0.00 0.00 179.45 180.47 1wut h PHE 681 N 0.63 1.20 -0.52 -1.35 0.04 -1.23 -2.92 116.94 112.79 1wut h PHE 681 Ca 0.16 -0.17 -0.03 0.00 2.80 0.00 0.00 57.97 60.73 1wut h PHE 681 Cb 0.22 -0.33 -0.03 0.00 2.20 0.00 0.00 35.95 38.02 1wut h PHE 681 CO 0.01 1.00 0.19 1.98 -0.60 0.00 0.00 178.31 180.88 1wut h MET 682 N 1.06 0.76 0.00 1.51 4.05 -1.35 -2.28 114.93 118.68 1wut h MET 682 Ca 0.21 -0.12 -0.05 0.00 -0.28 0.00 0.00 59.70 59.46 1wut h MET 682 Cb 0.44 -0.13 -0.01 0.00 -0.80 0.00 0.00 31.60 31.10 1wut h MET 682 CO 0.01 0.64 -0.22 1.25 0.23 0.00 0.00 176.91 178.83 1wut h LEU 683 N 0.75 0.00 -3.23 3.39 5.85 -1.39 -3.30 115.31 117.38 1wut h LEU 683 Ca 0.18 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.90 1wut h LEU 683 Cb 0.18 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.21 1wut h LEU 683 CO -0.01 0.22 0.00 0.59 -0.34 0.00 0.00 178.44 178.89 1wut n ASN 684 N -3.24 4.81 0.00 1.25 3.02 -0.96 -4.91 115.26 115.24 1wut n ASN 684 Ca 0.02 -2.58 0.00 0.00 -0.03 0.00 0.00 54.58 51.99 1wut n ASN 684 Cb 0.52 -0.58 0.00 0.00 -0.61 0.00 0.00 39.78 39.11 1wut n ASN 684 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1wut n GLY 685 N 0.84 0.79 3.70 7.41 0.00 -1.17 -4.77 105.19 112.00 1wut n GLY 685 Ca 0.25 -0.63 -0.27 0.00 0.00 0.00 0.00 46.02 45.37 1wut n GLY 685 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1wut s ALA 686 N -2.00 3.32 0.10 4.61 0.00 -0.90 -4.77 121.76 122.12 1wut s ALA 686 Ca 0.00 -1.31 -0.01 0.00 0.00 0.00 0.00 51.96 50.65 1wut s ALA 686 Cb 0.00 -1.12 -0.04 0.00 0.00 0.00 0.00 23.12 21.96 1wut s ALA 686 CO 0.00 0.50 0.27 -0.51 0.00 0.00 0.00 175.76 176.02 1wut s LEU 687 N -2.95 4.32 -0.15 0.00 1.02 0.32 -4.45 118.68 116.79 1wut s LEU 687 Ca 0.28 0.34 -0.04 0.00 0.02 0.00 0.00 54.13 54.74 1wut s LEU 687 Cb -0.10 -3.05 -0.03 0.00 0.02 0.00 0.00 46.19 43.03 1wut s LEU 687 CO 0.20 0.11 -0.03 -0.89 0.02 0.00 0.00 176.35 175.76 1wut s THR 688 N -1.60 4.00 -0.25 5.49 2.01 -1.26 -0.97 115.64 123.05 1wut s THR 688 Ca 0.37 -0.32 -0.03 0.00 0.31 0.00 0.00 61.69 62.01 1wut s THR 688 Cb -0.12 -2.75 0.01 0.00 0.01 0.00 0.00 72.50 69.65 1wut s THR 688 CO 0.27 0.50 -0.03 -0.51 -0.69 0.00 0.00 174.62 174.16 1wut s ILE 689 N 0.25 3.21 0.27 1.82 2.07 -0.84 -1.42 121.20 126.55 1wut s ILE 689 Ca -0.02 -0.82 -0.13 0.00 -1.41 0.00 0.00 60.65 58.26 1wut s ILE 689 Cb -0.14 -2.59 0.05 0.00 0.13 0.00 0.00 42.46 39.92 1wut s ILE 689 CO 0.03 0.24 0.69 0.61 -1.91 0.00 0.00 174.94 174.59 1wut n GLY 690 N 4.74 1.05 3.98 1.50 0.00 -0.49 -2.23 105.19 113.75 1wut n GLY 690 Ca -0.17 -1.18 -0.20 0.00 0.00 0.00 0.00 46.02 44.48 1wut n GLY 690 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1wut s THR 691 N -2.25 3.54 -1.36 2.61 -4.23 -1.05 -1.94 115.64 110.96 1wut s THR 691 Ca 0.14 -0.80 -0.16 0.00 -1.18 0.00 0.00 61.69 59.70 1wut s THR 691 Cb -0.03 -3.26 0.07 0.00 1.34 0.00 0.00 72.50 70.62 1wut s THR 691 CO 0.08 -0.14 1.94 0.23 -0.54 0.00 0.00 174.62 176.20 1wut n MET 692 N -1.94 3.08 -4.19 3.99 2.81 -1.26 -4.71 117.12 114.89 1wut n MET 692 Ca 0.04 -3.03 -0.17 0.00 -1.81 0.00 0.00 57.70 52.73 1wut n MET 692 Cb 0.58 -3.36 -0.12 0.00 -0.71 0.00 0.00 33.22 29.61 1wut n MET 692 CO 0.00 0.00 0.00 0.34 1.51 0.00 0.00 175.97 177.82 1wut s ASP 693 N 3.55 1.37 0.49 7.83 3.68 -1.26 -4.60 116.67 127.73 1wut s ASP 693 Ca 0.50 -0.51 0.00 0.00 2.13 0.00 0.00 52.55 54.66 1wut s ASP 693 Cb 0.08 -0.04 0.00 0.00 -1.45 0.00 0.00 42.92 41.51 1wut s ASP 693 CO -0.00 -0.07 0.00 0.61 0.13 0.00 0.00 175.17 175.84 1wut n GLY 694 N 1.63 2.36 0.03 2.66 0.00 -1.09 -1.06 105.19 109.73 1wut n GLY 694 Ca -0.20 -0.16 0.10 0.00 0.00 0.00 0.00 46.02 45.75 1wut n GLY 694 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1wut n ALA 695 N 7.49 1.84 -0.17 4.61 0.00 -0.46 -3.11 120.51 130.71 1wut n ALA 695 Ca 0.00 -0.03 0.13 0.00 0.00 0.00 0.00 53.44 53.54 1wut n ALA 695 Cb 0.00 -1.33 0.47 0.00 0.00 0.00 0.00 19.45 18.59 1wut n ALA 695 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 177.50 176.59 1wut h ASN 696 N 0.00 0.45 -0.50 0.00 4.21 -1.30 -0.58 115.58 117.86 1wut h ASN 696 Ca 0.00 0.02 -0.07 0.00 1.21 0.00 0.00 56.30 57.46 1wut h ASN 696 Cb 0.36 -0.07 -0.02 0.00 -1.12 0.00 0.00 38.32 37.47 1wut h ASN 696 CO 0.00 0.25 0.03 0.58 -1.29 0.00 0.00 177.43 177.00 1wut h VAL 697 N 0.49 1.26 0.00 2.81 2.07 -1.64 -1.90 116.25 119.34 1wut h VAL 697 Ca 0.36 -1.02 -0.13 0.00 0.82 0.00 0.00 66.70 66.73 1wut h VAL 697 Cb 0.72 0.94 -0.02 0.00 -1.52 0.00 0.00 31.29 31.41 1wut h VAL 697 CO -0.12 0.36 -0.62 -0.33 0.02 0.00 0.00 177.57 176.88 1wut h GLU 698 N 0.73 0.00 -0.18 1.57 5.08 -1.50 -1.95 114.58 118.32 1wut h GLU 698 Ca 0.15 0.00 -0.07 0.00 -1.00 0.00 0.00 59.36 58.44 1wut h GLU 698 Cb 0.47 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.71 1wut h GLU 698 CO 0.02 0.62 -0.16 0.52 -1.00 0.00 0.00 179.01 179.01 1wut h MET 699 N 0.00 0.43 -0.07 2.33 2.86 -0.97 -0.47 114.93 119.04 1wut h MET 699 Ca -0.01 -0.22 -0.10 0.00 -2.06 0.00 0.00 59.70 57.31 1wut h MET 699 Cb 1.23 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.88 1wut h MET 699 CO 0.08 0.77 -0.42 0.00 1.06 0.00 0.00 176.91 178.40 1wut h ALA 700 N 0.64 1.17 -0.10 6.32 0.00 -1.36 0.13 119.26 126.05 1wut h ALA 700 Ca 0.03 -0.41 -0.12 0.00 0.00 0.00 0.00 54.91 54.41 1wut h ALA 700 Cb 0.68 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.38 1wut h ALA 700 CO 0.04 0.58 -0.48 1.49 0.00 0.00 0.00 179.25 180.87 1wut h GLU 701 N 0.13 0.25 0.05 0.00 4.81 -1.23 0.30 114.58 118.89 1wut h GLU 701 Ca 0.01 -0.14 -0.19 0.00 -0.13 0.00 0.00 59.36 58.91 1wut h GLU 701 Cb 0.81 0.01 0.02 0.00 0.63 0.00 0.00 28.75 30.21 1wut h GLU 701 CO 0.06 0.69 -0.79 0.93 -0.73 0.00 0.00 179.01 179.17 1wut h GLU 702 N 0.20 0.44 0.00 1.92 4.39 -0.51 -3.34 114.58 117.68 1wut h GLU 702 Ca 0.01 -0.54 -0.03 0.00 0.34 0.00 0.00 59.36 59.13 1wut h GLU 702 Cb 0.93 0.17 -0.01 0.00 -0.10 0.00 0.00 28.75 29.75 1wut h GLU 702 CO 0.08 1.20 -0.62 0.00 -1.16 0.00 0.00 179.01 178.50 1wut h ALA 703 N 0.26 0.72 -0.01 3.43 0.00 -0.98 -3.48 119.26 119.21 1wut h ALA 703 Ca -0.11 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.64 1wut h ALA 703 Cb 1.52 0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.33 1wut h ALA 703 CO 0.15 0.19 0.00 0.41 0.00 0.00 0.00 179.25 180.00 1wut n GLY 704 N 1.18 1.40 0.37 0.00 0.00 0.10 -4.58 105.19 103.67 1wut n GLY 704 Ca 0.01 -1.31 0.20 0.00 0.00 0.00 0.00 46.02 44.92 1wut n GLY 704 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1wut h GLU 705 N 0.00 0.00 0.00 1.61 5.08 -1.82 0.31 114.58 119.76 1wut h GLU 705 Ca 0.00 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.34 1wut h GLU 705 Cb 0.00 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.25 1wut h GLU 705 CO 0.00 0.00 -0.10 0.93 -1.00 0.00 0.00 179.01 178.84 1wut h GLU 706 N 0.00 0.00 -0.59 2.33 3.07 -1.89 -2.41 114.58 115.08 1wut h GLU 706 Ca 0.17 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.03 1wut h GLU 706 Cb 0.94 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.85 1wut h GLU 706 CO -0.00 0.10 0.00 0.09 -1.40 0.00 0.00 179.01 177.80 1wut n ASN 707 N -3.38 5.40 -4.13 1.42 3.02 0.10 -4.92 115.26 112.77 1wut n ASN 707 Ca -0.01 -2.78 -0.15 0.00 -0.03 0.00 0.00 54.58 51.61 1wut n ASN 707 Cb 0.28 -0.65 -0.11 0.00 -0.61 0.00 0.00 39.78 38.69 1wut n ASN 707 CO 0.00 0.00 0.00 0.12 -2.62 0.00 0.00 177.26 174.76 1wut s PHE 708 N -2.47 0.95 -0.98 3.10 5.36 -0.91 -4.80 117.98 118.24 1wut s PHE 708 Ca 0.53 -0.52 -0.04 0.00 -0.96 0.00 0.00 56.93 55.95 1wut s PHE 708 Cb 0.39 -0.54 0.26 0.00 -0.34 0.00 0.00 43.02 42.78 1wut s PHE 708 CO 0.19 -0.02 1.00 1.19 -1.46 0.00 0.00 175.22 176.12 1wut n PHE 709 N 1.20 4.22 -3.28 10.12 3.72 -0.51 -4.96 117.46 127.97 1wut n PHE 709 Ca -0.21 -3.83 -0.37 0.00 -0.05 0.00 0.00 57.45 52.99 1wut n PHE 709 Cb 0.55 -1.29 -0.06 0.00 -0.94 0.00 0.00 39.48 37.74 1wut n PHE 709 CO 0.00 0.00 0.00 0.42 -0.05 0.00 0.00 176.76 177.13 1wut s ILE 710 N -1.66 4.76 0.36 4.37 1.09 -1.26 -1.40 121.20 127.47 1wut s ILE 710 Ca 0.30 1.09 -0.07 0.00 -1.10 0.00 0.00 60.65 60.87 1wut s ILE 710 Cb -0.04 -3.84 0.02 0.00 -1.06 0.00 0.00 42.46 37.54 1wut s ILE 710 CO -0.07 0.41 0.59 0.72 -0.10 0.00 0.00 174.94 176.50 1wut s PHE 711 N -1.28 0.75 0.04 3.97 -0.71 -0.82 -4.95 117.98 114.99 1wut s PHE 711 Ca 0.33 -1.14 0.00 0.00 -1.04 0.00 0.00 56.93 55.09 1wut s PHE 711 Cb -0.18 0.24 0.00 0.00 -1.21 0.00 0.00 43.02 41.88 1wut s PHE 711 CO 0.19 -1.30 0.00 0.41 -1.34 0.00 0.00 175.22 173.18 1wut n GLY 712 N -0.56 -1.84 3.77 1.99 0.00 -1.26 -4.36 105.19 102.92 1wut n GLY 712 Ca -0.02 -1.32 -0.37 0.00 0.00 0.00 0.00 46.02 44.31 1wut n GLY 712 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1wut s MET 713 N -0.50 3.63 0.49 1.61 -1.94 -1.26 -4.93 119.30 116.39 1wut s MET 713 Ca 0.00 1.82 0.05 0.00 -1.71 0.00 0.00 55.69 55.85 1wut s MET 713 Cb 0.00 -2.34 0.02 0.00 2.01 0.00 0.00 34.83 34.52 1wut s MET 713 CO 0.00 -0.67 0.68 1.03 -0.01 0.00 0.00 175.02 176.04 1wut s ARG 714 N -2.79 2.67 0.29 2.03 1.81 -1.26 -4.52 118.95 117.18 1wut s ARG 714 Ca 0.66 -1.03 0.05 0.00 -1.72 0.00 0.00 55.73 53.68 1wut s ARG 714 Cb -0.30 -2.62 0.71 0.00 -0.45 0.00 0.00 34.95 32.30 1wut s ARG 714 CO 0.36 -0.51 1.75 0.28 -0.68 0.00 0.00 175.30 176.50 1wut h VAL 715 N 0.34 0.64 -0.14 3.52 2.07 -1.83 -1.38 116.25 119.47 1wut h VAL 715 Ca -0.41 -0.22 -0.10 0.00 0.82 0.00 0.00 66.70 66.80 1wut h VAL 715 Cb 1.29 -0.05 -0.01 0.00 -1.52 0.00 0.00 31.29 30.99 1wut h VAL 715 CO 0.48 0.12 -0.34 -0.33 0.02 0.00 0.00 177.57 177.52 1wut h GLU 716 N 0.64 0.29 -0.19 1.57 3.07 -1.94 -2.09 114.58 115.93 1wut h GLU 716 Ca 0.56 -0.12 -0.16 0.00 -0.50 0.00 0.00 59.36 59.14 1wut h GLU 716 Cb 0.93 -0.01 -0.01 0.00 -0.84 0.00 0.00 28.75 28.82 1wut h GLU 716 CO -0.42 0.60 -0.53 -0.44 -1.40 0.00 0.00 179.01 176.82 1wut h ASP 717 N 0.25 0.62 -0.36 1.42 5.19 -1.64 -0.77 116.42 121.14 1wut h ASP 717 Ca 0.03 -0.33 -0.02 0.00 -0.62 0.00 0.00 57.03 56.09 1wut h ASP 717 Cb 0.73 -0.18 -0.02 0.00 0.18 0.00 0.00 39.33 40.04 1wut h ASP 717 CO 0.06 1.03 0.13 0.58 -3.12 0.00 0.00 179.24 177.92 1wut h VAL 718 N 0.43 1.20 -0.75 -1.35 2.07 -1.03 -1.28 116.25 115.54 1wut h VAL 718 Ca 0.01 -0.63 -0.06 0.00 0.82 0.00 0.00 66.70 66.85 1wut h VAL 718 Cb 1.07 0.93 -0.03 0.00 -1.52 0.00 0.00 31.29 31.75 1wut h VAL 718 CO 0.10 0.22 0.24 0.44 0.02 0.00 0.00 177.57 178.59 1wut h ASP 719 N 0.43 1.08 -0.72 0.57 3.32 -1.25 -1.32 116.42 118.53 1wut h ASP 719 Ca 0.12 -0.20 0.00 0.00 0.02 0.00 0.00 57.03 56.97 1wut h ASP 719 Cb 0.22 -0.28 -0.04 0.00 0.22 0.00 0.00 39.33 39.45 1wut h ASP 719 CO -0.01 0.99 0.47 -0.09 -1.72 0.00 0.00 179.24 178.89 1wut h ARG 720 N 1.11 0.96 -0.48 3.56 2.43 -0.84 -1.10 114.38 120.02 1wut h ARG 720 Ca 0.24 -0.07 -0.07 0.00 -0.81 0.00 0.00 59.98 59.28 1wut h ARG 720 Cb 0.29 -0.21 -0.02 0.00 -0.42 0.00 0.00 29.97 29.61 1wut h ARG 720 CO -0.01 0.65 0.03 1.25 -1.51 0.00 0.00 179.97 180.38 1wut h LEU 721 N 0.98 0.74 -0.64 3.80 6.46 -0.83 -2.17 115.31 123.66 1wut h LEU 721 Ca 0.26 -0.17 -0.14 0.00 -0.12 0.00 0.00 57.88 57.71 1wut h LEU 721 Cb -0.09 -0.20 -0.01 0.00 -0.73 0.00 0.00 40.66 39.63 1wut h LEU 721 CO -0.06 0.79 -0.53 0.44 -0.62 0.00 0.00 178.44 178.47 1wut h ASP 722 N 0.74 0.46 0.05 1.25 3.32 -0.70 0.63 116.42 122.17 1wut h ASP 722 Ca 0.15 -0.24 -0.00 0.00 0.02 0.00 0.00 57.03 56.96 1wut h ASP 722 Cb 0.41 -0.13 0.00 0.00 0.22 0.00 0.00 39.33 39.83 1wut h ASP 722 CO 0.01 0.90 -0.03 1.56 -1.72 0.00 0.00 179.24 179.97 1wut h GLN 723 N 0.33 -0.07 -0.18 3.56 1.08 -0.88 -3.12 115.11 115.83 1wut h GLN 723 Ca 0.01 0.00 -0.16 0.00 -1.45 0.00 0.00 58.65 57.05 1wut h GLN 723 Cb 1.03 0.02 -0.01 0.00 -0.05 0.00 0.00 27.48 28.47 1wut h GLN 723 CO 0.09 0.13 -0.56 0.07 -0.95 0.00 0.00 178.83 177.62 1wut h ARG 724 N -0.26 0.55 0.00 1.46 0.11 -1.33 -3.49 114.38 111.41 1wut h ARG 724 Ca -0.01 -0.35 0.00 0.00 0.10 0.00 0.00 59.98 59.72 1wut h ARG 724 Cb 0.23 0.04 0.00 0.00 1.11 0.00 0.00 29.97 31.36 1wut h ARG 724 CO 0.01 0.96 0.00 0.41 0.10 0.00 0.00 179.97 181.45 1wut n GLY 725 N 0.27 2.94 3.65 0.08 0.00 0.22 -5.05 105.19 107.29 1wut n GLY 725 Ca -0.03 -1.17 -0.42 0.00 0.00 0.00 0.00 46.02 44.39 1wut n GLY 725 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1wut s TYR 726 N 0.00 3.33 -0.32 1.61 5.04 -1.20 -4.88 117.35 120.92 1wut s TYR 726 Ca 0.00 1.28 0.03 0.00 -2.44 0.00 0.00 57.07 55.94 1wut s TYR 726 Cb 0.00 -3.14 0.09 0.00 0.35 0.00 0.00 41.96 39.26 1wut s TYR 726 CO 0.00 -0.43 0.04 1.21 -1.34 0.00 0.00 175.55 175.03 1wut s ASN 727 N 1.28 4.57 0.56 4.32 3.84 -1.26 -4.99 114.94 123.25 1wut s ASN 727 Ca 0.39 -1.96 0.25 0.00 0.21 0.00 0.00 52.86 51.75 1wut s ASN 727 Cb -0.15 -1.47 1.60 0.00 -0.55 0.00 0.00 41.25 40.68 1wut s ASN 727 CO 0.07 -0.36 2.19 0.00 -2.79 0.00 0.00 177.10 176.21 1wut h ALA 728 N 7.72 1.62 -0.98 1.71 0.00 -1.87 -2.69 119.26 124.77 1wut h ALA 728 Ca -0.08 -0.02 0.05 0.00 0.00 0.00 0.00 54.91 54.86 1wut h ALA 728 Cb 1.02 -0.00 -0.06 0.00 0.00 0.00 0.00 17.79 18.75 1wut h ALA 728 CO 0.50 0.03 0.64 0.37 0.00 0.00 0.00 179.25 180.80 1wut h GLN 729 N 0.00 1.16 -0.36 0.00 5.75 -1.93 -1.80 115.11 117.93 1wut h GLN 729 Ca -0.00 -0.07 0.07 0.00 -0.15 0.00 0.00 58.65 58.50 1wut h GLN 729 Cb 0.06 -0.26 -0.06 0.00 1.07 0.00 0.00 27.48 28.28 1wut h GLN 729 CO 0.00 0.77 -0.05 1.49 -2.65 0.00 0.00 178.83 178.39 1wut h GLU 730 N 1.19 0.04 -0.59 1.69 4.81 -1.91 0.30 114.58 120.11 1wut h GLU 730 Ca 0.41 -0.00 -0.07 0.00 -0.13 0.00 0.00 59.36 59.57 1wut h GLU 730 Cb 0.10 -0.01 -0.02 0.00 0.63 0.00 0.00 28.75 29.44 1wut h GLU 730 CO -0.15 0.02 0.10 1.88 -0.73 0.00 0.00 179.01 180.14 1wut h TYR 731 N 0.04 1.03 -0.69 0.92 -1.99 -1.59 -1.49 116.97 113.21 1wut h TYR 731 Ca 0.17 -0.14 -0.01 0.00 2.00 0.00 0.00 58.73 60.76 1wut h TYR 731 Cb 0.26 -0.28 -0.03 0.00 2.00 0.00 0.00 36.73 38.67 1wut h TYR 731 CO -0.30 0.90 0.41 -0.92 -0.00 0.00 0.00 178.16 178.25 1wut h TYR 732 N 0.87 0.90 -0.20 4.88 5.03 -0.47 -2.14 116.97 125.85 1wut h TYR 732 Ca 0.18 -0.00 -0.20 0.00 2.58 0.00 0.00 58.73 61.29 1wut h TYR 732 Cb 0.42 -0.30 0.01 0.00 1.55 0.00 0.00 36.73 38.41 1wut h TYR 732 CO 0.03 0.61 -0.66 -0.44 -1.32 0.00 0.00 178.16 176.38 1wut h ASP 733 N 0.95 0.92 0.59 -2.11 3.32 -0.04 -3.34 116.42 116.70 1wut h ASP 733 Ca 0.25 -0.59 0.00 0.00 0.02 0.00 0.00 57.03 56.70 1wut h ASP 733 Cb -0.03 -0.27 0.00 0.00 0.22 0.00 0.00 39.33 39.25 1wut h ASP 733 CO -0.05 1.36 -0.43 0.54 -1.72 0.00 0.00 179.24 178.94 1wut n ARG 734 N -4.01 0.01 -4.01 3.56 5.12 -0.60 -4.74 116.66 111.99 1wut n ARG 734 Ca -0.06 0.00 -0.31 0.00 -1.93 0.00 0.00 57.85 55.55 1wut n ARG 734 Cb 0.69 -1.50 -0.15 0.00 -1.16 0.00 0.00 32.46 30.33 1wut n ARG 734 CO 0.00 0.00 0.00 0.42 -1.93 0.00 0.00 177.63 176.12 1wut s ILE 735 N -3.00 2.08 0.24 0.55 1.01 -0.82 -5.00 121.20 116.26 1wut s ILE 735 Ca 0.11 -1.94 -0.06 0.00 0.00 0.00 0.00 60.65 58.77 1wut s ILE 735 Cb 0.18 -2.40 0.22 0.00 0.01 0.00 0.00 42.46 40.47 1wut s ILE 735 CO 0.67 -0.37 1.87 -0.65 0.00 0.00 0.00 174.94 176.47 1wut h PRO 736 N 7.73 1.04 -0.81 2.79 0.11 -1.85 -1.16 132.00 139.86 1wut h PRO 736 Ca -0.11 -0.06 -0.03 0.00 0.11 0.00 0.00 66.00 65.90 1wut h PRO 736 Cb 1.03 -0.24 -0.04 0.00 0.11 0.00 0.00 31.00 31.87 1wut h PRO 736 CO 0.49 0.69 0.37 0.93 -0.21 0.00 0.00 178.00 180.27 1wut h GLU 737 N 1.08 1.17 -0.27 1.05 5.08 -1.95 0.43 114.58 121.17 1wut h GLU 737 Ca 0.37 -0.18 -0.08 0.00 -1.00 0.00 0.00 59.36 58.47 1wut h GLU 737 Cb 0.08 -0.21 -0.01 0.00 0.50 0.00 0.00 28.75 29.12 1wut h GLU 737 CO -0.14 0.91 -0.16 1.25 -1.00 0.00 0.00 179.01 179.87 1wut h LEU 738 N 1.16 0.60 -0.69 1.33 5.85 -1.79 -2.62 115.31 119.15 1wut h LEU 738 Ca 0.28 -0.42 0.02 0.00 0.84 0.00 0.00 57.88 58.59 1wut h LEU 738 Cb 0.14 -0.17 -0.04 0.00 0.37 0.00 0.00 40.66 40.96 1wut h LEU 738 CO -0.03 0.90 0.45 -0.09 -0.34 0.00 0.00 178.44 179.32 1wut h ARG 739 N 0.31 0.87 -0.94 1.25 2.43 -0.92 -1.85 114.38 115.53 1wut h ARG 739 Ca 0.06 -0.05 0.00 0.00 -0.81 0.00 0.00 59.98 59.18 1wut h ARG 739 Cb 0.68 -0.20 -0.05 0.00 -0.42 0.00 0.00 29.97 29.99 1wut h ARG 739 CO 0.04 0.58 0.60 0.37 -1.51 0.00 0.00 179.97 180.05 1wut h GLN 740 N 0.90 1.26 -0.01 0.20 4.15 -0.83 -1.51 115.11 119.27 1wut h GLN 740 Ca 0.26 -0.09 -0.00 0.00 0.77 0.00 0.00 58.65 59.59 1wut h GLN 740 Cb -0.06 -0.27 -0.00 0.00 0.21 0.00 0.00 27.48 27.36 1wut h GLN 740 CO -0.07 0.85 0.00 0.82 -1.93 0.00 0.00 178.83 178.50 1wut h ILE 741 N 1.29 1.22 -0.47 2.39 2.04 -1.04 -2.14 117.51 120.80 1wut h ILE 741 Ca 0.34 -0.66 0.02 0.00 1.00 0.00 0.00 64.86 65.56 1wut h ILE 741 Cb -0.11 1.66 -0.02 0.00 -0.74 0.00 0.00 36.82 37.61 1wut h ILE 741 CO -0.07 0.17 0.31 0.40 0.00 0.00 0.00 178.15 178.96 1wut h ILE 742 N -0.27 1.08 0.00 -0.67 5.03 -1.13 -0.95 117.51 120.61 1wut h ILE 742 Ca 0.00 -0.20 -0.04 0.00 -0.12 0.00 0.00 64.86 64.50 1wut h ILE 742 Cb 0.28 0.45 -0.01 0.00 -3.03 0.00 0.00 36.82 34.52 1wut h ILE 742 CO 0.00 0.11 -0.18 -0.33 -0.68 0.00 0.00 178.15 177.06 1wut h GLU 743 N 0.58 0.00 -0.18 2.37 5.08 -1.18 -1.97 114.58 119.28 1wut h GLU 743 Ca 0.18 0.00 -0.18 0.00 -1.00 0.00 0.00 59.36 58.36 1wut h GLU 743 Cb 0.02 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.27 1wut h GLU 743 CO -0.04 0.18 -0.59 1.96 -1.00 0.00 0.00 179.01 179.52 1wut h GLN 744 N 0.00 0.72 -0.43 2.33 4.20 -0.51 -1.98 115.11 119.45 1wut h GLN 744 Ca -0.00 -0.53 -0.12 0.00 0.06 0.00 0.00 58.65 58.06 1wut h GLN 744 Cb 1.01 0.09 -0.01 0.00 0.30 0.00 0.00 27.48 28.87 1wut h GLN 744 CO 0.02 1.15 -0.21 -0.07 -0.67 0.00 0.00 178.83 179.06 1wut h LEU 745 N 0.43 0.92 -0.83 1.46 3.38 -1.31 -0.48 115.31 118.87 1wut h LEU 745 Ca -0.02 -0.40 -0.10 0.00 0.09 0.00 0.00 57.88 57.45 1wut h LEU 745 Cb 1.21 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 41.69 1wut h LEU 745 CO 0.12 1.12 -0.15 0.28 0.09 0.00 0.00 178.44 179.90 1wut h SER 746 N 0.72 0.71 0.19 -0.43 0.02 -1.36 -3.14 113.55 110.25 1wut h SER 746 Ca 0.09 -0.22 0.00 0.00 -0.84 0.00 0.00 61.79 60.82 1wut h SER 746 Cb 0.77 -0.19 0.00 0.00 0.14 0.00 0.00 62.40 63.12 1wut h SER 746 CO 0.06 0.87 -0.11 -1.54 -1.14 0.00 0.00 176.83 174.98 1wut n SER 747 N -4.15 0.85 0.00 3.07 3.41 -0.75 -4.72 113.62 111.33 1wut n SER 747 Ca 0.01 -0.96 0.00 0.00 -0.26 0.00 0.00 58.87 57.66 1wut n SER 747 Cb 0.38 0.01 0.00 0.00 -0.26 0.00 0.00 64.21 64.34 1wut n SER 747 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1wut n GLY 748 N 1.24 0.61 0.30 5.00 0.00 -1.14 -4.86 105.19 106.34 1wut n GLY 748 Ca 0.16 -0.66 0.05 0.00 0.00 0.00 0.00 46.02 45.57 1wut n GLY 748 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 1wut h PHE 749 N 0.00 0.40 -0.02 1.61 3.04 -1.34 -1.75 116.94 118.88 1wut h PHE 749 Ca 0.00 0.01 0.00 0.00 3.98 0.00 0.00 57.97 61.96 1wut h PHE 749 Cb 0.00 -0.14 0.00 0.00 2.56 0.00 0.00 35.95 38.37 1wut h PHE 749 CO 0.00 0.25 -0.24 1.19 -2.02 0.00 0.00 178.31 177.49 1wut n PHE 750 N -4.49 0.00 -3.12 0.41 3.72 -1.26 -4.60 117.46 108.13 1wut n PHE 750 Ca 0.02 0.00 -0.19 0.00 -0.05 0.00 0.00 57.45 57.23 1wut n PHE 750 Cb 0.07 -0.00 -0.05 0.00 -0.94 0.00 0.00 39.48 38.56 1wut n PHE 750 CO 0.00 0.00 0.00 -1.13 -0.05 0.00 0.00 176.76 175.58 1wut n SER 751 N 0.60 -1.19 0.08 4.37 3.41 -0.70 -4.80 113.62 115.38 1wut n SER 751 Ca 0.12 -2.71 -0.12 0.00 -0.26 0.00 0.00 58.87 55.90 1wut n SER 751 Cb 0.52 0.20 -0.05 0.00 -0.26 0.00 0.00 64.21 64.62 1wut n SER 751 CO 0.00 0.00 0.00 -0.65 -0.16 0.00 0.00 175.04 174.23 1wut h PRO 752 N 4.76 -0.41 0.00 4.33 0.11 -1.69 -1.97 132.00 137.13 1wut h PRO 752 Ca 0.11 0.03 -0.06 0.00 0.11 0.00 0.00 66.00 66.18 1wut h PRO 752 Cb 0.95 0.09 -0.01 0.00 0.11 0.00 0.00 31.00 32.15 1wut h PRO 752 CO 0.33 -0.27 -0.29 0.87 -0.21 0.00 0.00 178.00 178.43 1wut h LYS 753 N -0.42 0.00 -2.66 1.05 1.57 -1.96 -3.31 116.57 110.83 1wut h LYS 753 Ca 0.05 0.00 -0.60 0.00 -1.87 0.00 0.00 60.65 58.23 1wut h LYS 753 Cb 0.48 0.00 -0.40 0.00 0.08 0.00 0.00 32.23 32.39 1wut h LYS 753 CO -0.19 0.29 -0.77 1.04 -0.57 0.00 0.00 179.45 179.25 1wut n GLN 754 N -4.01 1.16 -0.03 3.15 6.02 -1.08 -4.99 117.38 117.60 1wut n GLN 754 Ca -0.02 -3.90 0.23 0.00 -0.01 0.00 0.00 57.00 53.30 1wut n GLN 754 Cb 0.35 -1.97 0.72 0.00 1.02 0.00 0.00 30.24 30.36 1wut n GLN 754 CO 0.00 0.00 0.00 -1.35 -1.01 0.00 0.00 177.06 174.70 1wut h PRO 755 N 5.31 0.00 -0.53 -1.09 0.11 -1.46 -1.46 132.00 132.87 1wut h PRO 755 Ca 0.20 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.31 1wut h PRO 755 Cb 0.82 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.93 1wut h PRO 755 CO 0.57 0.00 0.00 -0.40 -0.21 0.00 0.00 178.00 177.96 1wut n ASP 756 N -4.03 4.14 -0.30 -2.05 5.68 -1.26 -3.09 116.55 115.64 1wut n ASP 756 Ca 0.12 -2.40 0.18 0.00 -0.50 0.00 0.00 54.79 52.19 1wut n ASP 756 Cb 0.76 -0.49 0.45 0.00 -1.14 0.00 0.00 41.12 40.70 1wut n ASP 756 CO 0.00 0.00 0.00 0.25 -1.33 0.00 0.00 177.20 176.12 1wut h LEU 757 N 3.27 0.54 -3.61 -2.12 5.85 -1.59 -2.27 115.31 115.38 1wut h LEU 757 Ca 0.00 0.07 -0.15 0.00 0.84 0.00 0.00 57.88 58.63 1wut h LEU 757 Cb 1.25 -0.03 -0.09 0.00 0.37 0.00 0.00 40.66 42.15 1wut h LEU 757 CO 0.16 0.19 0.17 0.49 -0.34 0.00 0.00 178.44 179.11 1wut n PHE 758 N -4.61 2.07 0.07 1.25 3.01 -1.26 -4.60 117.46 113.38 1wut n PHE 758 Ca 0.22 -1.13 0.04 0.00 1.01 0.00 0.00 57.45 57.59 1wut n PHE 758 Cb 0.69 -0.60 0.45 0.00 -0.01 0.00 0.00 39.48 40.01 1wut n PHE 758 CO 0.00 0.00 0.00 1.57 1.01 0.00 0.00 176.76 179.34 1wut h LYS 759 N 2.56 0.39 -0.50 -1.08 2.10 -1.73 -2.13 116.57 116.18 1wut h LYS 759 Ca 0.19 -0.04 -0.10 0.00 -2.00 0.00 0.00 60.65 58.70 1wut h LYS 759 Cb 2.11 -0.08 -0.02 0.00 -0.90 0.00 0.00 32.23 33.34 1wut h LYS 759 CO 0.60 0.31 -0.10 -0.44 -2.00 0.00 0.00 179.45 177.83 1wut h ASP 760 N 0.39 0.90 -0.01 7.07 3.32 -1.84 0.19 116.42 126.45 1wut h ASP 760 Ca 0.10 -0.28 -0.00 0.00 0.02 0.00 0.00 57.03 56.87 1wut h ASP 760 Cb 0.06 -0.24 -0.00 0.00 0.22 0.00 0.00 39.33 39.36 1wut h ASP 760 CO -0.01 1.02 -0.00 0.40 -1.72 0.00 0.00 179.24 178.92 1wut h ILE 761 N 0.82 1.30 -0.60 0.35 2.04 -1.78 -1.36 117.51 118.29 1wut h ILE 761 Ca 0.13 -0.89 -0.01 0.00 1.00 0.00 0.00 64.86 65.10 1wut h ILE 761 Cb 0.62 1.89 -0.03 0.00 -0.74 0.00 0.00 36.82 38.56 1wut h ILE 761 CO 0.04 0.23 0.33 0.58 0.00 0.00 0.00 178.15 179.33 1wut h VAL 762 N -0.36 1.19 -0.27 1.67 2.07 -1.33 0.25 116.25 119.47 1wut h VAL 762 Ca 0.00 -0.49 0.02 0.00 0.82 0.00 0.00 66.70 67.04 1wut h VAL 762 Cb 0.38 0.43 -0.02 0.00 -1.52 0.00 0.00 31.29 30.56 1wut h VAL 762 CO 0.00 0.21 0.14 -1.13 0.02 0.00 0.00 177.57 176.81 1wut h ASN 763 N 0.81 0.22 0.01 0.57 -0.00 -0.60 -1.92 115.58 114.66 1wut h ASN 763 Ca 0.21 0.01 -0.00 0.00 -0.00 0.00 0.00 56.30 56.52 1wut h ASN 763 Cb 0.05 -0.03 0.00 0.00 -0.00 0.00 0.00 38.32 38.33 1wut h ASN 763 CO -0.03 0.16 -0.00 -0.03 -0.00 0.00 0.00 177.43 177.53 1wut h MET 764 N 0.30 -0.01 -0.92 6.67 4.05 -0.93 -0.42 114.93 123.66 1wut h MET 764 Ca 0.11 0.00 0.15 0.00 -0.28 0.00 0.00 59.70 59.68 1wut h MET 764 Cb 0.02 0.00 -0.09 0.00 -0.80 0.00 0.00 31.60 30.73 1wut h MET 764 CO -0.07 0.17 0.53 -0.07 0.23 0.00 0.00 176.91 177.70 1wut h LEU 765 N -0.19 0.71 0.15 3.39 4.07 -0.81 0.81 115.31 123.44 1wut h LEU 765 Ca -0.00 0.08 -0.29 0.00 0.08 0.00 0.00 57.88 57.75 1wut h LEU 765 Cb 0.18 -0.05 0.01 0.00 1.08 0.00 0.00 40.66 41.88 1wut h LEU 765 CO 0.00 0.32 -1.32 0.24 -1.08 0.00 0.00 178.44 176.60 1wut h MET 766 N 0.77 0.31 0.00 1.13 2.86 -1.24 -3.40 114.93 115.35 1wut h MET 766 Ca 0.49 -0.53 -0.01 0.00 -2.06 0.00 0.00 59.70 57.60 1wut h MET 766 Cb 0.64 0.20 -0.00 0.00 0.06 0.00 0.00 31.60 32.50 1wut h MET 766 CO -0.33 1.24 -1.11 0.72 1.06 0.00 0.00 176.91 178.49 1wut n HIS 767 N -3.55 0.00 -2.79 -0.22 8.25 -0.18 -4.33 115.22 112.40 1wut n HIS 767 Ca -0.11 0.00 -0.11 0.00 -0.26 0.00 0.00 57.72 57.24 1wut n HIS 767 Cb 1.04 -0.06 0.02 0.00 1.12 0.00 0.00 29.99 32.10 1wut n HIS 767 CO 0.00 0.00 0.00 0.72 0.64 0.00 0.00 176.34 177.70 1wut n HIS 768 N -1.73 0.83 -2.89 4.41 8.25 0.22 -5.04 115.22 119.28 1wut n HIS 768 Ca -0.01 -3.02 -0.43 0.00 -0.26 0.00 0.00 57.72 53.99 1wut n HIS 768 Cb 0.21 -0.35 -0.04 0.00 1.12 0.00 0.00 29.99 30.94 1wut n HIS 768 CO 0.00 0.00 0.00 0.34 0.64 0.00 0.00 176.34 177.32 1wut s ASP 769 N -2.91 6.19 0.49 0.41 3.68 -0.86 -4.81 116.67 118.86 1wut s ASP 769 Ca 0.30 -0.95 0.31 0.00 2.13 0.00 0.00 52.55 54.34 1wut s ASP 769 Cb 0.43 -2.41 1.20 0.00 -1.45 0.00 0.00 42.92 40.69 1wut s ASP 769 CO 0.01 -1.37 1.90 0.03 0.13 0.00 0.00 175.17 175.87 1wut h ARG 770 N 9.49 0.00 -0.25 4.34 3.08 -1.96 -3.21 114.38 125.86 1wut h ARG 770 Ca -0.29 0.00 -0.02 0.00 0.07 0.00 0.00 59.98 59.74 1wut h ARG 770 Cb 1.07 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 31.11 1wut h ARG 770 CO 1.16 0.00 -0.00 1.19 -1.07 0.00 0.00 179.97 181.24 1wut n PHE 771 N -2.94 0.89 -3.50 3.04 3.72 -1.26 -5.02 117.46 112.38 1wut n PHE 771 Ca 0.01 -0.98 -0.18 0.00 -0.05 0.00 0.00 57.45 56.25 1wut n PHE 771 Cb 0.32 -0.32 0.00 0.00 -0.94 0.00 0.00 39.48 38.54 1wut n PHE 771 CO 0.00 0.00 0.00 0.36 -0.05 0.00 0.00 176.76 177.07 1wut n LYS 772 N -0.67 -0.72 -0.13 -1.08 2.85 -1.21 -4.77 118.16 112.42 1wut n LYS 772 Ca 0.22 0.12 -0.08 0.00 -1.05 0.00 0.00 58.31 57.52 1wut n LYS 772 Cb 0.89 -1.00 -0.00 0.00 -0.65 0.00 0.00 35.03 34.27 1wut n LYS 772 CO 0.00 0.00 0.00 0.28 -0.05 0.00 0.00 177.40 177.63 1wut h VAL 773 N 0.23 1.13 -0.59 0.58 2.07 -1.93 -2.81 116.25 114.94 1wut h VAL 773 Ca -0.35 -0.30 -0.02 0.00 0.82 0.00 0.00 66.70 66.85 1wut h VAL 773 Cb 0.73 0.60 -0.03 0.00 -1.52 0.00 0.00 31.29 31.07 1wut h VAL 773 CO 0.23 0.13 0.28 -0.26 0.02 0.00 0.00 177.57 177.97 1wut h PHE 774 N 0.53 0.82 -0.15 1.57 0.05 -1.91 -2.86 116.94 114.99 1wut h PHE 774 Ca 0.14 -0.02 0.04 0.00 3.82 0.00 0.00 57.97 61.95 1wut h PHE 774 Cb -0.00 -0.26 -0.01 0.00 2.00 0.00 0.00 35.95 37.68 1wut h PHE 774 CO -0.03 0.60 0.13 0.00 -0.18 0.00 0.00 178.31 178.82 1wut h ALA 775 N 1.49 1.94 -0.06 2.45 0.00 -1.87 -2.23 119.26 120.98 1wut h ALA 775 Ca 0.21 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.11 1wut h ALA 775 Cb 0.08 0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.89 1wut h ALA 775 CO -0.03 -0.20 0.00 -0.25 0.00 0.00 0.00 179.25 178.77 1wut n ASP 776 N -4.16 2.44 0.23 0.00 8.00 -1.09 -4.70 116.55 117.27 1wut n ASP 776 Ca 0.01 -1.70 -0.15 0.00 0.71 0.00 0.00 54.79 53.65 1wut n ASP 776 Cb 0.25 -0.03 -0.08 0.00 -0.02 0.00 0.00 41.12 41.25 1wut n ASP 776 CO 0.00 0.00 0.00 0.22 -0.39 0.00 0.00 177.20 177.03 1wut h TYR 777 N 3.19 -0.83 -0.08 1.24 5.03 -1.25 -1.17 116.97 123.10 1wut h TYR 777 Ca 0.00 0.00 0.03 0.00 2.58 0.00 0.00 58.73 61.34 1wut h TYR 777 Cb 0.69 0.31 -0.04 0.00 1.55 0.00 0.00 36.73 39.25 1wut h TYR 777 CO 0.03 -0.46 -0.13 0.93 -1.32 0.00 0.00 178.16 177.21 1wut h GLU 778 N -0.69 -0.17 0.00 1.82 5.08 -1.84 -1.80 114.58 116.97 1wut h GLU 778 Ca -0.03 0.01 -0.05 0.00 -1.00 0.00 0.00 59.36 58.30 1wut h GLU 778 Cb 0.61 0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.89 1wut h GLU 778 CO -0.02 -0.11 -0.21 0.93 -1.00 0.00 0.00 179.01 178.59 1wut h GLU 779 N -0.18 0.00 -0.05 2.33 5.08 -1.87 -2.44 114.58 117.46 1wut h GLU 779 Ca 0.07 0.00 -0.03 0.00 -1.00 0.00 0.00 59.36 58.41 1wut h GLU 779 Cb 0.28 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.53 1wut h GLU 779 CO -0.18 0.21 -0.07 -0.92 -1.00 0.00 0.00 179.01 177.05 1wut h TYR 780 N 0.00 0.16 0.00 4.33 3.20 -0.54 -2.10 116.97 122.03 1wut h TYR 780 Ca -0.00 -0.05 -0.09 0.00 3.14 0.00 0.00 58.73 61.72 1wut h TYR 780 Cb 0.44 -0.03 -0.01 0.00 1.54 0.00 0.00 36.73 38.67 1wut h TYR 780 CO 0.00 0.63 -0.45 -0.39 -1.64 0.00 0.00 178.16 176.31 1wut h VAL 781 N -0.35 1.11 -0.39 1.81 -1.51 -1.29 -1.45 116.25 114.18 1wut h VAL 781 Ca 0.00 -1.68 -0.06 0.00 -1.23 0.00 0.00 66.70 63.74 1wut h VAL 781 Cb 0.61 1.96 -0.01 0.00 -2.13 0.00 0.00 31.29 31.72 1wut h VAL 781 CO 0.02 0.44 0.01 0.50 -1.23 0.00 0.00 177.57 177.31 1wut h LYS 782 N 0.00 0.68 -0.31 5.19 1.63 -1.46 -2.36 116.57 119.94 1wut h LYS 782 Ca -0.00 -0.21 -0.10 0.00 -0.85 0.00 0.00 60.65 59.48 1wut h LYS 782 Cb 0.93 -0.06 -0.01 0.00 -0.60 0.00 0.00 32.23 32.48 1wut h LYS 782 CO 0.06 0.77 -0.24 0.00 -3.45 0.00 0.00 179.45 176.59 1wut h GLN 784 N 0.53 0.00 -0.55 0.00 1.08 -1.12 -1.79 115.11 113.26 1wut h GLN 784 Ca 0.08 0.00 -0.11 0.00 -1.45 0.00 0.00 58.65 57.17 1wut h GLN 784 Cb 0.69 0.00 -0.02 0.00 -0.05 0.00 0.00 27.48 28.10 1wut h GLN 784 CO 0.05 0.24 -0.08 0.93 -0.95 0.00 0.00 178.83 179.02 1wut h GLU 785 N 0.00 1.01 -0.32 1.46 5.08 -0.99 -2.62 114.58 118.20 1wut h GLU 785 Ca -0.00 -0.36 -0.07 0.00 -1.00 0.00 0.00 59.36 57.93 1wut h GLU 785 Cb 0.46 -0.07 -0.02 0.00 0.50 0.00 0.00 28.75 29.62 1wut h GLU 785 CO 0.03 1.04 -0.11 0.00 -1.00 0.00 0.00 179.01 178.97 1wut h ARG 786 N 0.91 0.55 -0.09 2.33 3.08 -1.23 -1.90 114.38 118.02 1wut h ARG 786 Ca 0.15 -0.16 -0.15 0.00 0.07 0.00 0.00 59.98 59.88 1wut h ARG 786 Cb 0.64 -0.06 -0.01 0.00 0.08 0.00 0.00 29.97 30.62 1wut h ARG 786 CO 0.04 0.66 -0.61 -0.39 -1.07 0.00 0.00 179.97 178.60 1wut h VAL 787 N 0.51 1.37 -0.31 2.04 -1.51 -1.34 -2.46 116.25 114.55 1wut h VAL 787 Ca 0.09 -1.96 -0.11 0.00 -1.23 0.00 0.00 66.70 63.49 1wut h VAL 787 Cb 0.50 1.97 -0.01 0.00 -2.13 0.00 0.00 31.29 31.61 1wut h VAL 787 CO 0.03 0.59 -0.26 0.28 -1.23 0.00 0.00 177.57 176.97 1wut h SER 788 N 0.24 0.64 -0.47 4.19 0.02 -1.20 -1.48 113.55 115.49 1wut h SER 788 Ca -0.01 -0.23 -0.04 0.00 -0.84 0.00 0.00 61.79 60.67 1wut h SER 788 Cb 1.13 -0.17 -0.02 0.00 0.14 0.00 0.00 62.40 63.47 1wut h SER 788 CO 0.10 0.88 0.14 0.00 -1.14 0.00 0.00 176.83 176.80 1wut h ALA 789 N 1.17 0.61 -0.19 3.77 0.00 -1.14 -2.93 119.26 120.56 1wut h ALA 789 Ca 0.07 -0.18 -0.14 0.00 0.00 0.00 0.00 54.91 54.66 1wut h ALA 789 Cb 0.73 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.33 1wut h ALA 789 CO 0.06 0.27 -0.47 1.25 0.00 0.00 0.00 179.25 180.36 1wut h LEU 790 N 0.62 0.53 -2.01 0.00 6.46 -1.32 -2.97 115.31 116.62 1wut h LEU 790 Ca 0.15 -0.25 -0.02 0.00 -0.12 0.00 0.00 57.88 57.63 1wut h LEU 790 Cb 0.28 -0.15 -0.00 0.00 -0.73 0.00 0.00 40.66 40.06 1wut h LEU 790 CO -0.00 0.92 -0.10 0.22 -0.62 0.00 0.00 178.44 178.86 1wut h TYR 791 N 0.39 0.00 0.00 1.25 3.20 -1.11 0.16 116.97 120.85 1wut h TYR 791 Ca 0.02 0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.89 1wut h TYR 791 Cb 0.97 0.00 0.00 0.00 1.54 0.00 0.00 36.73 39.24 1wut h TYR 791 CO 0.03 0.10 0.00 1.63 -1.64 0.00 0.00 178.16 178.28 1wut n LYS 792 N -3.86 0.01 -3.77 1.82 5.02 -1.12 -3.72 118.16 112.55 1wut n LYS 792 Ca -0.02 0.26 -0.28 0.00 -2.02 0.00 0.00 58.31 56.25 1wut n LYS 792 Cb 0.19 -1.53 -0.11 0.00 -0.02 0.00 0.00 35.03 33.56 1wut n LYS 792 CO 0.00 0.00 0.00 -1.71 -0.52 0.00 0.00 177.40 175.17 1wut n ASN 793 N -1.56 3.16 -0.35 4.39 2.85 0.04 -4.99 115.26 118.80 1wut n ASN 793 Ca 0.03 -3.26 -0.01 0.00 -0.11 0.00 0.00 54.58 51.24 1wut n ASN 793 Cb 0.17 -0.73 0.04 0.00 1.24 0.00 0.00 39.78 40.50 1wut n ASN 793 CO 0.00 0.00 0.00 -2.65 -2.11 0.00 0.00 177.26 172.50 1wut n PRO 794 N 1.67 -0.21 -0.29 1.20 -0.02 -1.24 -1.30 135.00 134.82 1wut n PRO 794 Ca 0.23 1.41 0.00 0.00 -2.02 0.00 0.00 63.50 63.12 1wut n PRO 794 Cb 0.37 -2.10 0.13 0.00 -0.02 0.00 0.00 33.50 31.89 1wut n PRO 794 CO 0.00 0.00 0.00 -0.09 1.98 0.00 0.00 175.50 177.39 1wut h ARG 795 N 0.00 0.85 0.02 -0.52 2.43 -1.94 -0.26 114.38 114.96 1wut h ARG 795 Ca 0.33 -0.05 -0.20 0.00 -0.81 0.00 0.00 59.98 59.24 1wut h ARG 795 Cb 0.56 -0.19 -0.02 0.00 -0.42 0.00 0.00 29.97 29.89 1wut h ARG 795 CO -0.91 0.56 -0.95 0.93 -1.51 0.00 0.00 179.97 178.09 1wut h GLU 796 N 0.88 0.09 -0.14 0.20 4.39 -1.52 -2.06 114.58 116.41 1wut h GLU 796 Ca 0.36 -0.12 -0.01 0.00 0.34 0.00 0.00 59.36 59.93 1wut h GLU 796 Cb 0.20 0.04 -0.01 0.00 -0.10 0.00 0.00 28.75 28.88 1wut h GLU 796 CO -0.18 0.97 0.03 2.35 -1.16 0.00 0.00 179.01 181.01 1wut h TRP 797 N 0.04 0.24 -0.35 4.33 2.91 -0.83 -1.52 115.95 120.77 1wut h TRP 797 Ca -0.03 -0.03 -0.04 0.00 1.13 0.00 0.00 58.89 59.92 1wut h TRP 797 Cb 1.64 -0.07 -0.02 0.00 -0.51 0.00 0.00 29.16 30.20 1wut h TRP 797 CO 0.02 0.39 0.05 1.15 -1.03 0.00 0.00 178.44 179.02 1wut h THR 798 N 0.02 1.18 -0.22 2.65 2.02 -1.06 -0.79 112.91 116.71 1wut h THR 798 Ca 0.04 -0.67 -0.13 0.00 0.77 0.00 0.00 66.41 66.43 1wut h THR 798 Cb 0.27 0.86 -0.01 0.00 -1.74 0.00 0.00 68.15 67.53 1wut h THR 798 CO 0.00 0.23 -0.41 0.03 0.37 0.00 0.00 175.52 175.75 1wut h ARG 799 N 0.51 0.53 -0.24 6.66 3.08 -1.10 -0.99 114.38 122.83 1wut h ARG 799 Ca 0.12 -0.27 -0.14 0.00 0.07 0.00 0.00 59.98 59.75 1wut h ARG 799 Cb 0.25 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.30 1wut h ARG 799 CO 0.00 0.85 -0.44 1.98 -1.07 0.00 0.00 179.97 181.29 1wut h MET 800 N 0.44 0.62 -0.80 0.04 4.05 -0.71 -2.58 114.93 115.97 1wut h MET 800 Ca 0.04 -0.33 0.01 0.00 -0.28 0.00 0.00 59.70 59.13 1wut h MET 800 Cb 0.90 0.02 -0.04 0.00 -0.80 0.00 0.00 31.60 31.68 1wut h MET 800 CO 0.08 0.94 0.53 0.28 0.23 0.00 0.00 176.91 178.96 1wut h VAL 801 N 0.50 1.21 -0.39 -5.77 2.07 -0.75 -1.73 116.25 111.39 1wut h VAL 801 Ca 0.03 -0.39 -0.03 0.00 0.82 0.00 0.00 66.70 67.13 1wut h VAL 801 Cb 0.97 0.03 -0.02 0.00 -1.52 0.00 0.00 31.29 30.75 1wut h VAL 801 CO 0.09 0.20 0.11 0.40 0.02 0.00 0.00 177.57 178.39 1wut h ILE 802 N 1.09 1.17 -0.01 4.57 2.04 -0.91 -1.68 117.51 123.78 1wut h ILE 802 Ca 0.29 -0.60 -0.08 0.00 1.00 0.00 0.00 64.86 65.48 1wut h ILE 802 Cb -0.12 0.75 -0.01 0.00 -0.74 0.00 0.00 36.82 36.70 1wut h ILE 802 CO -0.06 0.22 -0.38 -0.09 0.00 0.00 0.00 178.15 177.84 1wut h ARG 803 N 0.57 0.03 0.01 2.37 9.65 -0.95 -1.38 114.38 124.67 1wut h ARG 803 Ca 0.13 -0.01 -0.00 0.00 -1.10 0.00 0.00 59.98 59.00 1wut h ARG 803 Cb 0.19 -0.00 0.00 0.00 -1.39 0.00 0.00 29.97 28.77 1wut h ARG 803 CO -0.01 0.40 -0.00 -0.91 2.80 0.00 0.00 179.97 182.25 1wut h ASN 804 N 0.03 -0.01 -0.22 -3.80 2.35 -0.82 -3.15 115.58 109.96 1wut h ASN 804 Ca -0.00 -0.85 0.02 0.00 -0.55 0.00 0.00 56.30 54.92 1wut h ASN 804 Cb 0.68 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 39.03 1wut h ASN 804 CO 0.05 0.88 0.08 0.40 -1.65 0.00 0.00 177.43 177.19 1wut h ILE 805 N -0.94 0.95 0.00 2.81 2.04 -1.35 -1.36 117.51 119.67 1wut h ILE 805 Ca -0.00 -0.06 0.00 0.00 1.00 0.00 0.00 64.86 65.79 1wut h ILE 805 Cb 0.86 0.75 0.00 0.00 -0.74 0.00 0.00 36.82 37.68 1wut h ILE 805 CO 0.00 0.03 0.00 0.00 0.00 0.00 0.00 178.15 178.19 1wut n ALA 806 N -2.24 1.37 -0.33 1.87 0.00 -0.52 -2.36 120.51 118.29 1wut n ALA 806 Ca -0.02 0.06 0.04 0.00 0.00 0.00 0.00 53.44 53.51 1wut n ALA 806 Cb 0.08 -1.24 0.07 0.00 0.00 0.00 0.00 19.45 18.35 1wut n ALA 806 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 177.50 175.13 1wut n THR 807 N -1.88 1.28 1.10 0.00 5.66 -0.58 -2.20 114.28 117.66 1wut n THR 807 Ca 0.01 -1.34 0.13 0.00 -3.05 0.00 0.00 64.05 59.79 1wut n THR 807 Cb 0.12 0.29 0.33 0.00 -1.55 0.00 0.00 70.33 69.52 1wut n THR 807 CO 0.00 0.00 0.00 -1.54 -3.05 0.00 0.00 175.07 170.48 1wut n SER 808 N -0.58 0.64 -0.36 1.09 3.41 -0.79 -4.45 113.62 112.57 1wut n SER 808 Ca 0.06 -0.44 0.34 0.00 -0.26 0.00 0.00 58.87 58.58 1wut n SER 808 Cb 0.40 0.16 0.70 0.00 -0.26 0.00 0.00 64.21 65.20 1wut n SER 808 CO 0.00 0.00 0.00 1.23 -0.16 0.00 0.00 175.04 176.11 1wut h GLY 809 N 4.97 0.38 2.00 5.00 0.00 -1.78 -0.34 103.07 113.31 1wut h GLY 809 Ca 0.00 -0.05 -0.00 0.00 0.00 0.00 0.00 47.33 47.27 1wut h GLY 809 CO 0.00 -0.06 -0.01 1.70 0.00 0.00 0.00 176.54 178.16 1wut h LYS 810 N 0.09 0.00 -0.75 4.80 3.64 -1.87 -3.08 116.57 119.41 1wut h LYS 810 Ca 0.62 0.00 -0.02 0.00 -1.27 0.00 0.00 60.65 59.99 1wut h LYS 810 Cb 2.25 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 34.06 1wut h LYS 810 CO -0.11 0.01 0.02 1.19 -2.27 0.00 0.00 179.45 178.30 1wut n PHE 811 N -3.15 1.36 -2.94 1.91 3.01 -0.14 -4.81 117.46 112.71 1wut n PHE 811 Ca -0.01 -0.51 -0.38 0.00 1.01 0.00 0.00 57.45 57.56 1wut n PHE 811 Cb 0.19 -0.38 -0.06 0.00 -0.01 0.00 0.00 39.48 39.21 1wut n PHE 811 CO 0.00 0.00 0.00 0.45 1.01 0.00 0.00 176.76 178.22 1wut s SER 812 N -0.49 7.32 0.00 4.37 0.15 -1.16 -0.91 113.70 122.98 1wut s SER 812 Ca 0.35 1.67 0.14 0.00 0.70 0.00 0.00 55.95 58.81 1wut s SER 812 Cb 0.27 -2.51 0.63 0.00 -1.71 0.00 0.00 66.02 62.70 1wut s SER 812 CO 0.10 0.09 1.45 -1.54 1.20 0.00 0.00 173.24 174.53 1wut n SER 813 N 1.08 0.00 0.14 5.45 3.41 -0.14 -1.68 113.62 121.88 1wut n SER 813 Ca -0.02 0.42 -0.01 0.00 -0.26 0.00 0.00 58.87 58.99 1wut n SER 813 Cb 0.49 -0.46 0.17 0.00 -0.26 0.00 0.00 64.21 64.16 1wut n SER 813 CO 0.00 0.00 0.00 0.44 -0.16 0.00 0.00 175.04 175.32 1wut h ASP 814 N 0.00 0.01 0.06 4.04 3.32 -1.92 -0.09 116.42 121.85 1wut h ASP 814 Ca 0.00 -0.00 -0.20 0.00 0.02 0.00 0.00 57.03 56.84 1wut h ASP 814 Cb 0.23 -0.00 0.02 0.00 0.22 0.00 0.00 39.33 39.79 1wut h ASP 814 CO 0.00 0.62 -0.82 -0.09 -1.72 0.00 0.00 179.24 177.22 1wut h ARG 815 N 0.00 0.45 -0.05 3.56 1.12 -1.65 -2.08 114.38 115.73 1wut h ARG 815 Ca -0.01 -0.57 0.01 0.00 -1.11 0.00 0.00 59.98 58.30 1wut h ARG 815 Cb 1.08 0.18 -0.01 0.00 -0.01 0.00 0.00 29.97 31.22 1wut h ARG 815 CO 0.08 1.22 0.01 1.15 -3.11 0.00 0.00 179.97 179.32 1wut h THR 816 N -0.06 0.98 -0.54 0.20 2.02 -1.46 -2.24 112.91 111.82 1wut h THR 816 Ca -0.12 -0.01 -0.02 0.00 0.77 0.00 0.00 66.41 67.02 1wut h THR 816 Cb 1.56 0.94 -0.02 0.00 -1.74 0.00 0.00 68.15 68.88 1wut h THR 816 CO 0.16 0.01 0.24 0.40 0.37 0.00 0.00 175.52 176.70 1wut h ILE 817 N 0.04 1.21 -0.59 3.11 1.08 -1.08 -1.40 117.51 119.88 1wut h ILE 817 Ca 0.02 -0.61 0.05 0.00 -0.39 0.00 0.00 64.86 63.94 1wut h ILE 817 Cb 0.01 0.61 -0.03 0.00 -3.07 0.00 0.00 36.82 34.33 1wut h ILE 817 CO -0.03 0.24 0.39 0.00 -0.69 0.00 0.00 178.15 178.06 1wut h ALA 818 N 1.09 1.79 -0.17 1.87 0.00 -1.21 0.12 119.26 122.74 1wut h ALA 818 Ca 0.18 -0.02 -0.21 0.00 0.00 0.00 0.00 54.91 54.86 1wut h ALA 818 Cb 0.15 -0.15 0.01 0.00 0.00 0.00 0.00 17.79 17.79 1wut h ALA 818 CO -0.02 0.12 -0.74 1.96 0.00 0.00 0.00 179.25 180.57 1wut h GLN 819 N 0.59 0.77 -0.12 0.00 4.20 -0.76 -1.75 115.11 118.04 1wut h GLN 819 Ca 0.25 -0.60 -0.01 0.00 0.06 0.00 0.00 58.65 58.35 1wut h GLN 819 Cb 0.23 0.12 -0.01 0.00 0.30 0.00 0.00 27.48 28.13 1wut h GLN 819 CO -0.07 1.22 0.04 1.88 -0.67 0.00 0.00 178.83 181.23 1wut h TYR 820 N 0.54 0.19 -0.08 2.96 0.05 -0.57 0.14 116.97 120.19 1wut h TYR 820 Ca -0.04 -0.02 0.04 0.00 0.05 0.00 0.00 58.73 58.76 1wut h TYR 820 Cb 1.36 -0.05 -0.05 0.00 1.01 0.00 0.00 36.73 38.99 1wut h TYR 820 CO 0.08 0.29 -0.27 0.00 -1.05 0.00 0.00 178.16 177.21 1wut h ALA 821 N 0.87 -0.31 -0.06 3.88 0.00 -0.77 0.26 119.26 123.13 1wut h ALA 821 Ca 0.04 0.02 -0.11 0.00 0.00 0.00 0.00 54.91 54.85 1wut h ALA 821 Cb 0.19 0.50 0.01 0.00 0.00 0.00 0.00 17.79 18.48 1wut h ALA 821 CO -0.00 -0.75 -0.41 0.00 0.00 0.00 0.00 179.25 178.09 1wut h ARG 822 N -0.37 0.38 0.00 0.00 3.08 -1.28 0.51 114.38 116.70 1wut h ARG 822 Ca 0.08 -0.33 0.00 0.00 0.07 0.00 0.00 59.98 59.80 1wut h ARG 822 Cb 0.49 0.07 0.00 0.00 0.08 0.00 0.00 29.97 30.62 1wut h ARG 822 CO -0.29 0.98 -0.61 0.39 -1.07 0.00 0.00 179.97 179.37 1wut n GLU 823 N -4.35 0.14 0.00 0.04 1.02 0.47 -4.23 120.64 113.72 1wut n GLU 823 Ca -0.09 0.03 0.00 0.00 -0.02 0.00 0.00 57.16 57.08 1wut n GLU 823 Cb 0.55 -1.57 0.00 0.00 -0.02 0.00 0.00 31.44 30.40 1wut n GLU 823 CO 0.00 0.00 0.00 -0.89 1.18 0.00 0.00 177.13 177.42 1wut n ILE 824 N -1.77 0.01 0.06 -3.67 5.41 0.77 -4.88 119.36 115.29 1wut n ILE 824 Ca 0.04 0.00 -0.07 0.00 1.00 0.00 0.00 62.75 63.73 1wut n ILE 824 Cb 0.38 -1.21 -0.12 0.00 -0.71 0.00 0.00 39.64 37.99 1wut n ILE 824 CO 0.00 0.00 0.00 -0.50 0.00 0.00 0.00 176.55 176.05 1wut h TRP 825 N 0.00 0.00 -0.89 1.39 6.55 -1.05 -3.48 115.95 118.47 1wut h TRP 825 Ca 0.00 0.00 -0.01 0.00 0.95 0.00 0.00 58.89 59.83 1wut h TRP 825 Cb 0.70 0.00 0.00 0.00 -0.86 0.00 0.00 29.16 29.00 1wut h TRP 825 CO 0.00 0.99 -0.01 0.41 -1.05 0.00 0.00 178.44 178.78 1wut n GLY 826 N 1.35 0.83 3.25 1.49 0.00 0.17 -4.96 105.19 107.31 1wut n GLY 826 Ca -0.00 -0.70 -0.18 0.00 0.00 0.00 0.00 46.02 45.13 1wut n GLY 826 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1wut s VAL 827 N -2.82 1.34 -0.24 1.61 -7.23 -0.48 -5.01 120.40 107.58 1wut s VAL 827 Ca 0.01 -1.74 -0.08 0.00 -1.81 0.00 0.00 61.98 58.36 1wut s VAL 827 Cb -0.00 -1.56 -0.03 0.00 0.56 0.00 0.00 36.38 35.34 1wut s VAL 827 CO 0.01 -0.43 0.08 -1.61 -0.31 0.00 0.00 175.10 172.85 1wut s GLU 828 N -2.72 3.75 0.72 4.82 0.41 -1.26 -3.54 118.70 120.87 1wut s GLU 828 Ca 0.10 -0.44 -0.15 0.00 -0.41 0.00 0.00 54.97 54.07 1wut s GLU 828 Cb -0.05 -3.34 0.03 0.00 -1.78 0.00 0.00 34.13 29.00 1wut s GLU 828 CO 0.03 -0.10 1.19 -1.25 -0.49 0.00 0.00 175.26 174.64 1wut s PRO 829 N 1.40 2.24 -0.12 0.39 0.04 -1.26 -4.97 135.00 132.72 1wut s PRO 829 Ca 0.06 1.69 -0.06 0.00 0.04 0.00 0.00 61.00 62.72 1wut s PRO 829 Cb -0.15 -1.85 0.05 0.00 0.04 0.00 0.00 34.50 32.59 1wut s PRO 829 CO 0.04 -1.74 0.29 0.45 0.04 0.00 0.00 177.00 176.09 1wut s SER 830 N -2.15 -0.34 -0.48 6.66 0.15 -0.15 -5.03 113.70 112.37 1wut s SER 830 Ca 0.73 0.63 0.01 0.00 0.70 0.00 0.00 55.95 58.02 1wut s SER 830 Cb -0.27 0.52 0.48 0.00 -1.71 0.00 0.00 66.02 65.04 1wut s SER 830 CO 0.45 -0.17 1.91 0.54 1.20 0.00 0.00 173.24 177.17 1wut n ARG 831 N 4.25 2.27 -3.06 5.44 5.12 -1.26 -3.17 116.66 126.24 1wut n ARG 831 Ca -0.25 -2.72 -0.40 0.00 -1.93 0.00 0.00 57.85 52.56 1wut n ARG 831 Cb 0.54 -2.07 -0.05 0.00 -1.16 0.00 0.00 32.46 29.72 1wut n ARG 831 CO 0.00 0.00 0.00 -0.65 -1.93 0.00 0.00 177.63 175.05 1wut s GLN 832 N -3.08 4.36 0.15 5.56 -0.21 -1.26 -5.02 119.66 120.16 1wut s GLN 832 Ca 0.53 0.81 -0.31 0.00 0.02 0.00 0.00 55.36 56.40 1wut s GLN 832 Cb 0.43 -3.49 -0.10 0.00 1.00 0.00 0.00 33.01 30.85 1wut s GLN 832 CO 0.04 -0.05 1.57 1.03 -2.12 0.00 0.00 175.29 175.77 1wut s ARG 833 N 1.22 4.22 0.46 2.91 3.00 -1.26 -4.95 118.95 124.54 1wut s ARG 833 Ca 0.35 2.34 -0.23 0.00 0.00 0.00 0.00 55.73 58.19 1wut s ARG 833 Cb -0.17 -3.23 -0.08 0.00 0.00 0.00 0.00 34.95 31.48 1wut s ARG 833 CO 0.15 -0.62 1.13 -1.17 0.00 0.00 0.00 175.30 174.80 1wut s LEU 834 N 1.37 4.01 -0.14 2.53 2.96 0.16 -4.81 118.68 124.76 1wut s LEU 834 Ca 0.70 2.23 -0.16 0.00 -0.22 0.00 0.00 54.13 56.68 1wut s LEU 834 Cb -0.43 -4.27 -0.18 0.00 0.50 0.00 0.00 46.19 41.81 1wut s LEU 834 CO 0.31 -0.85 1.20 -0.81 -1.32 0.00 0.00 176.35 174.88 1wut n PRO 835 N -0.50 0.01 -0.84 0.98 -0.04 -1.26 -4.73 135.00 128.63 1wut n PRO 835 Ca 0.07 -0.62 0.07 0.00 -0.04 0.00 0.00 63.50 62.99 1wut n PRO 835 Cb 0.49 -1.98 -0.03 0.00 -0.04 0.00 0.00 33.50 31.95 1wut n PRO 835 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1wut n ALA 836 N 7.94 -2.69 1.32 0.55 0.00 -1.26 -5.17 120.51 121.20 1wut n ALA 836 Ca 0.24 0.26 0.13 0.00 0.00 0.00 0.00 53.44 54.07 1wut n ALA 836 Cb 0.37 -0.86 0.37 0.00 0.00 0.00 0.00 19.45 19.34 1wut n ALA 836 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15