#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wuy n SER 14 N 0.00 -0.32 -3.20 7.28 7.64 -1.26 -4.87 113.62 118.89 1wuy n SER 14 Ca 0.00 0.00 -0.40 0.00 1.01 0.00 0.00 58.87 59.48 1wuy n SER 14 Cb 0.00 0.00 0.03 0.00 -1.01 0.00 0.00 64.21 63.23 1wuy n SER 14 CO 0.00 0.00 0.00 0.55 -3.01 0.00 0.00 175.04 172.58 1wuy n VAL 15 N -1.19 4.64 -0.70 0.44 3.14 -1.26 -4.49 118.33 118.91 1wuy n VAL 15 Ca 0.00 -4.90 -0.04 0.00 -2.96 0.00 0.00 64.34 56.44 1wuy n VAL 15 Cb 0.00 -1.41 0.27 0.00 -1.06 0.00 0.00 33.84 31.64 1wuy n VAL 15 CO 0.00 0.00 0.00 0.54 -6.46 0.00 0.00 176.83 170.91 1wuy n ARG 16 N -0.21 3.42 0.00 1.45 1.74 -1.26 -5.02 116.66 116.79 1wuy n ARG 16 Ca 0.51 -2.60 0.00 0.00 -0.77 0.00 0.00 57.85 55.00 1wuy n ARG 16 Cb 0.26 -2.09 0.00 0.00 -1.02 0.00 0.00 32.46 29.61 1wuy n ARG 16 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1wuy n GLY 17 N -0.02 -3.75 3.86 -0.13 0.00 -1.26 -1.64 105.19 102.26 1wuy n GLY 17 Ca 0.34 -2.12 -0.35 0.00 0.00 0.00 0.00 46.02 43.88 1wuy n GLY 17 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1wuy s LEU 18 N 0.00 4.38 -0.97 0.99 2.01 -1.26 -4.67 118.68 119.16 1wuy s LEU 18 Ca 0.00 0.79 -0.01 0.00 0.01 0.00 0.00 54.13 54.92 1wuy s LEU 18 Cb 0.00 -2.84 0.30 0.00 0.01 0.00 0.00 46.19 43.66 1wuy s LEU 18 CO 0.00 0.22 1.37 0.00 1.01 0.00 0.00 176.35 178.95 1wuy n ALA 19 N 1.15 5.08 -1.63 4.21 0.00 -1.26 -3.84 120.51 124.22 1wuy n ALA 19 Ca -0.10 -4.77 -0.39 0.00 0.00 0.00 0.00 53.44 48.18 1wuy n ALA 19 Cb 0.52 -1.98 0.04 0.00 0.00 0.00 0.00 19.45 18.03 1wuy n ALA 19 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1wuy n GLY 20 N 0.97 -0.18 0.04 0.00 0.00 -1.26 -4.84 105.19 99.92 1wuy n GLY 20 Ca 0.30 -0.01 -0.12 0.00 0.00 0.00 0.00 46.02 46.18 1wuy n GLY 20 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 1wuy h VAL 21 N 1.01 1.05 -0.57 1.61 2.07 -2.00 -1.59 116.25 117.82 1wuy h VAL 21 Ca -0.47 -0.14 -0.10 0.00 0.82 0.00 0.00 66.70 66.81 1wuy h VAL 21 Cb 1.35 1.14 -0.02 0.00 -1.52 0.00 0.00 31.29 32.23 1wuy h VAL 21 CO 0.54 0.04 -0.05 -0.33 0.02 0.00 0.00 177.57 177.79 1wuy h GLU 22 N -0.05 1.03 0.00 1.57 3.07 -2.00 -2.99 114.58 115.21 1wuy h GLU 22 Ca 0.00 -0.34 -0.10 0.00 -0.50 0.00 0.00 59.36 58.42 1wuy h GLU 22 Cb 0.06 -0.08 -0.01 0.00 -0.84 0.00 0.00 28.75 27.87 1wuy h GLU 22 CO -0.00 1.03 -0.46 -0.91 -1.40 0.00 0.00 179.01 177.28 1wuy h ASN 23 N 0.93 0.00 0.69 1.42 4.21 -1.92 -0.28 115.58 120.64 1wuy h ASN 23 Ca 0.16 0.00 -0.19 0.00 1.21 0.00 0.00 56.30 57.48 1wuy h ASN 23 Cb 0.60 0.00 -0.02 0.00 -1.12 0.00 0.00 38.32 37.78 1wuy h ASN 23 CO 0.04 0.46 -0.85 0.58 -1.29 0.00 0.00 177.43 176.36 1wuy h VAL 24 N 0.00 1.54 -0.05 2.81 2.07 -1.28 -1.01 116.25 120.33 1wuy h VAL 24 Ca -0.00 -2.71 -0.04 0.00 0.82 0.00 0.00 66.70 64.76 1wuy h VAL 24 Cb 1.05 2.49 0.00 0.00 -1.52 0.00 0.00 31.29 33.32 1wuy h VAL 24 CO 0.06 0.78 -0.14 0.74 0.02 0.00 0.00 177.57 179.03 1wuy h THR 25 N 0.06 1.44 -0.71 2.57 2.02 -1.40 -2.49 112.91 114.41 1wuy h THR 25 Ca -0.03 -1.53 0.01 0.00 0.77 0.00 0.00 66.41 65.62 1wuy h THR 25 Cb 1.48 2.33 -0.04 0.00 -1.74 0.00 0.00 68.15 70.19 1wuy h THR 25 CO 0.12 0.42 0.47 -0.08 0.37 0.00 0.00 175.52 176.83 1wuy h GLU 26 N -0.35 0.93 -0.47 6.66 4.57 -1.04 -2.48 114.58 122.41 1wuy h GLU 26 Ca -0.00 -0.06 0.01 0.00 -1.18 0.00 0.00 59.36 58.12 1wuy h GLU 26 Cb 0.76 -0.21 -0.02 0.00 -0.16 0.00 0.00 28.75 29.12 1wuy h GLU 26 CO 0.03 0.62 0.31 -0.07 -1.18 0.00 0.00 179.01 178.72 1wuy h LEU 27 N 0.96 0.53 -0.34 1.64 4.07 -1.18 -2.33 115.31 118.66 1wuy h LEU 27 Ca 0.26 -0.01 0.00 0.00 0.08 0.00 0.00 57.88 58.21 1wuy h LEU 27 Cb -0.11 -0.13 -0.02 0.00 1.08 0.00 0.00 40.66 41.48 1wuy h LEU 27 CO -0.06 0.39 0.23 0.11 -1.08 0.00 0.00 178.44 178.03 1wuy h LYS 28 N 0.63 0.45 0.00 1.13 1.57 -1.14 0.23 116.57 119.45 1wuy h LYS 28 Ca 0.17 -0.03 -0.07 0.00 -1.87 0.00 0.00 60.65 58.85 1wuy h LYS 28 Cb -0.07 -0.10 -0.01 0.00 0.08 0.00 0.00 32.23 32.13 1wuy h LYS 28 CO -0.04 0.30 -0.36 1.57 -0.57 0.00 0.00 179.45 180.36 1wuy h LYS 29 N 0.47 0.00 0.00 3.15 2.10 -1.33 -1.47 116.57 119.49 1wuy h LYS 29 Ca 0.13 0.00 -0.18 0.00 -2.00 0.00 0.00 60.65 58.60 1wuy h LYS 29 Cb -0.05 0.00 -0.02 0.00 -0.90 0.00 0.00 32.23 31.25 1wuy h LYS 29 CO -0.03 0.36 -0.84 -0.91 -2.00 0.00 0.00 179.45 176.03 1wuy h ASN 30 N 0.00 0.01 -0.41 7.07 2.35 -1.01 0.80 115.58 124.40 1wuy h ASN 30 Ca -0.00 -0.01 -0.07 0.00 -0.55 0.00 0.00 56.30 55.67 1wuy h ASN 30 Cb 0.67 -0.00 -0.01 0.00 0.05 0.00 0.00 38.32 39.02 1wuy h ASN 30 CO 0.05 0.85 -0.01 0.15 -1.65 0.00 0.00 177.43 176.81 1wuy h PHE 31 N 0.00 0.79 -0.12 1.19 3.57 -0.45 -1.97 116.94 119.95 1wuy h PHE 31 Ca -0.01 -0.14 -0.14 0.00 3.53 0.00 0.00 57.97 61.21 1wuy h PHE 31 Cb 1.49 -0.20 -0.01 0.00 2.79 0.00 0.00 35.95 40.01 1wuy h PHE 31 CO 0.00 0.80 -0.51 -0.91 -2.23 0.00 0.00 178.31 175.46 1wuy h ASN 32 N 0.55 0.36 0.22 0.41 2.35 -1.17 -1.23 115.58 117.07 1wuy h ASN 32 Ca 0.11 -0.18 -0.01 0.00 -0.55 0.00 0.00 56.30 55.68 1wuy h ASN 32 Cb 0.50 -0.10 -0.00 0.00 0.05 0.00 0.00 38.32 38.76 1wuy h ASN 32 CO 0.02 0.81 -0.13 -0.09 -1.65 0.00 0.00 177.43 176.39 1wuy h ARG 33 N 0.26 -0.33 -0.73 0.81 1.12 -0.60 -1.84 114.38 113.07 1wuy h ARG 33 Ca 0.01 0.02 -0.07 0.00 -1.11 0.00 0.00 59.98 58.84 1wuy h ARG 33 Cb 0.99 0.07 -0.03 0.00 -0.01 0.00 0.00 29.97 31.00 1wuy h ARG 33 CO 0.08 -0.22 0.20 0.45 -3.11 0.00 0.00 179.97 177.38 1wuy h HIS 34 N -0.34 1.21 -0.88 2.20 3.86 -1.29 0.18 115.15 120.09 1wuy h HIS 34 Ca -0.02 -0.13 0.03 0.00 -1.16 0.00 0.00 60.37 59.08 1wuy h HIS 34 Cb 0.28 -0.35 -0.05 0.00 1.06 0.00 0.00 27.41 28.36 1wuy h HIS 34 CO -0.08 0.97 0.58 1.25 0.86 0.00 0.00 177.93 181.50 1wuy h LEU 35 N 1.10 0.96 0.04 2.43 5.85 -1.08 0.16 115.31 124.77 1wuy h LEU 35 Ca 0.23 -0.01 -0.00 0.00 0.84 0.00 0.00 57.88 58.94 1wuy h LEU 35 Cb 0.35 -0.23 0.00 0.00 0.37 0.00 0.00 40.66 41.15 1wuy h LEU 35 CO -0.00 0.67 -0.02 -0.74 -0.34 0.00 0.00 178.44 178.01 1wuy h HIS 36 N 1.12 -0.04 -0.12 1.25 2.76 -0.98 -0.64 115.15 118.50 1wuy h HIS 36 Ca 0.35 -0.00 -0.22 0.00 -2.20 0.00 0.00 60.37 58.29 1wuy h HIS 36 Cb -0.00 0.01 0.01 0.00 1.55 0.00 0.00 27.41 28.98 1wuy h HIS 36 CO -0.00 -0.03 -0.81 0.74 -1.30 0.00 0.00 177.93 176.53 1wuy h PHE 37 N -0.54 0.97 0.05 5.26 0.04 -0.73 -1.32 116.94 120.68 1wuy h PHE 37 Ca -0.00 -0.45 -0.20 0.00 2.80 0.00 0.00 57.97 60.12 1wuy h PHE 37 Cb 0.04 -0.14 -0.01 0.00 2.20 0.00 0.00 35.95 38.03 1wuy h PHE 37 CO 0.01 1.27 -1.06 1.15 -0.60 0.00 0.00 178.31 179.08 1wuy h THR 38 N 0.47 1.16 -0.01 -1.55 2.02 -1.06 -3.37 112.91 110.58 1wuy h THR 38 Ca -0.06 -2.32 0.00 0.00 0.77 0.00 0.00 66.41 64.80 1wuy h THR 38 Cb 1.44 2.70 0.00 0.00 -1.74 0.00 0.00 68.15 70.55 1wuy h THR 38 CO 0.16 0.55 -0.33 0.18 0.37 0.00 0.00 175.52 176.46 1wuy n LEU 39 N -4.24 1.15 -2.86 2.58 7.99 0.34 -4.93 117.00 117.03 1wuy n LEU 39 Ca -0.24 -0.33 -0.15 0.00 -0.01 0.00 0.00 56.01 55.28 1wuy n LEU 39 Cb 0.74 -0.11 -0.01 0.00 -0.11 0.00 0.00 43.42 43.93 1wuy n LEU 39 CO 0.32 0.22 -0.08 0.52 -1.51 0.00 0.00 177.39 176.86 1wuy n VAL 40 N -0.63 -0.65 -3.93 4.08 0.31 -0.50 -4.92 118.33 112.09 1wuy n VAL 40 Ca 0.11 0.00 -0.23 0.00 -0.01 0.00 0.00 64.34 64.21 1wuy n VAL 40 Cb 0.37 -1.48 -0.06 0.00 -0.91 0.00 0.00 33.84 31.76 1wuy n VAL 40 CO 0.00 0.00 0.00 -0.54 -1.32 0.00 0.00 176.83 174.97 1wuy s LYS 41 N -5.46 2.33 0.01 5.55 -0.14 -0.27 -4.99 119.74 116.77 1wuy s LYS 41 Ca 0.18 -1.75 0.04 0.00 -1.36 0.00 0.00 55.97 53.07 1wuy s LYS 41 Cb -0.09 -2.12 -0.01 0.00 -1.68 0.00 0.00 37.83 33.93 1wuy s LYS 41 CO 0.22 -0.16 -0.12 0.34 -0.76 0.00 0.00 175.35 174.86 1wuy s ASP 42 N -4.00 1.40 0.46 2.83 2.15 -1.26 -3.98 116.67 114.27 1wuy s ASP 42 Ca 0.43 -0.30 0.35 0.00 0.43 0.00 0.00 52.55 53.46 1wuy s ASP 42 Cb 0.01 -0.12 1.21 0.00 -0.30 0.00 0.00 42.92 43.72 1wuy s ASP 42 CO 0.24 0.08 1.20 0.54 -0.17 0.00 0.00 175.17 177.06 1wuy n ARG 43 N 2.44 0.00 0.10 4.34 5.12 -1.26 -0.31 116.66 127.10 1wuy n ARG 43 Ca -0.16 0.86 0.13 0.00 -1.93 0.00 0.00 57.85 56.75 1wuy n ARG 43 Cb 0.56 -2.02 0.43 0.00 -1.16 0.00 0.00 32.46 30.26 1wuy n ARG 43 CO 0.00 0.00 0.00 0.09 -1.93 0.00 0.00 177.63 175.79 1wuy n ASN 44 N -3.35 0.75 0.00 0.55 3.02 -1.26 -3.83 115.26 111.14 1wuy n ASN 44 Ca 0.31 0.58 0.00 0.00 -0.03 0.00 0.00 54.58 55.44 1wuy n ASN 44 Cb 1.52 -0.78 0.00 0.00 -0.61 0.00 0.00 39.78 39.91 1wuy n ASN 44 CO 0.00 0.00 0.00 1.33 -2.62 0.00 0.00 177.26 175.97 1wuy n VAL 45 N -2.22 0.24 -2.16 2.41 0.24 0.58 -5.05 118.33 112.37 1wuy n VAL 45 Ca 0.05 -0.34 -0.42 0.00 -2.04 0.00 0.00 64.34 61.59 1wuy n VAL 45 Cb 0.40 1.13 -0.03 0.00 -1.47 0.00 0.00 33.84 33.87 1wuy n VAL 45 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1wuy s ALA 46 N -0.24 3.57 0.24 2.33 0.00 -0.95 -4.90 121.76 121.80 1wuy s ALA 46 Ca 0.00 1.16 0.04 0.00 0.00 0.00 0.00 51.96 53.15 1wuy s ALA 46 Cb 0.00 -3.51 -0.03 0.00 0.00 0.00 0.00 23.12 19.58 1wuy s ALA 46 CO 0.00 -0.60 0.38 0.95 0.00 0.00 0.00 175.76 176.49 1wuy s THR 47 N 0.34 5.24 0.49 0.00 -4.23 -1.26 -4.95 115.64 111.27 1wuy s THR 47 Ca 0.59 -0.82 0.25 0.00 -1.18 0.00 0.00 61.69 60.53 1wuy s THR 47 Cb -0.38 -3.83 0.42 0.00 1.34 0.00 0.00 72.50 70.05 1wuy s THR 47 CO 0.37 -0.31 1.91 -0.65 -0.54 0.00 0.00 174.62 175.40 1wuy h PRO 48 N 1.32 0.15 -0.01 3.99 0.11 -1.99 0.57 132.00 136.13 1wuy h PRO 48 Ca -0.51 -0.01 -0.06 0.00 0.11 0.00 0.00 66.00 65.53 1wuy h PRO 48 Cb 1.22 -0.03 -0.01 0.00 0.11 0.00 0.00 31.00 32.29 1wuy h PRO 48 CO 0.63 0.10 -0.28 -0.09 -0.21 0.00 0.00 178.00 178.14 1wuy h ARG 49 N 0.15 0.02 -0.21 1.05 9.65 -1.97 -0.18 114.38 122.90 1wuy h ARG 49 Ca 0.39 -0.01 -0.15 0.00 -1.10 0.00 0.00 59.98 59.11 1wuy h ARG 49 Cb 1.30 -0.00 0.00 0.00 -1.39 0.00 0.00 29.97 29.88 1wuy h ARG 49 CO -0.06 0.31 -0.46 -0.44 2.80 0.00 0.00 179.97 182.12 1wuy h ASP 50 N 0.02 0.77 -0.80 -3.80 3.45 -0.26 -2.61 116.42 113.19 1wuy h ASP 50 Ca 0.00 -0.56 -0.01 0.00 0.43 0.00 0.00 57.03 56.89 1wuy h ASP 50 Cb 0.51 -0.22 -0.04 0.00 -0.56 0.00 0.00 39.33 39.02 1wuy h ASP 50 CO 0.04 1.18 0.44 1.88 -1.57 0.00 0.00 179.24 181.21 1wuy h TYR 51 N 0.39 1.09 -0.75 4.55 0.05 -0.78 -0.24 116.97 121.28 1wuy h TYR 51 Ca 0.00 -0.02 -0.02 0.00 0.05 0.00 0.00 58.73 58.73 1wuy h TYR 51 Cb 1.06 -0.35 -0.04 0.00 1.01 0.00 0.00 36.73 38.42 1wuy h TYR 51 CO 0.09 0.76 0.37 -0.92 -1.05 0.00 0.00 178.16 177.41 1wuy h TYR 52 N 1.11 1.06 -0.10 4.88 3.20 -1.00 -2.36 116.97 123.75 1wuy h TYR 52 Ca 0.28 -0.04 -0.18 0.00 3.14 0.00 0.00 58.73 61.93 1wuy h TYR 52 Cb 0.02 -0.33 -0.00 0.00 1.54 0.00 0.00 36.73 37.95 1wuy h TYR 52 CO 0.00 0.77 -0.69 0.74 -1.64 0.00 0.00 178.16 177.34 1wuy h PHE 53 N 1.07 0.60 -0.71 -3.82 -1.00 -0.97 -1.34 116.94 110.77 1wuy h PHE 53 Ca 0.26 -0.25 -0.04 0.00 2.81 0.00 0.00 57.97 60.75 1wuy h PHE 53 Cb 0.09 -0.10 -0.03 0.00 3.61 0.00 0.00 35.95 39.52 1wuy h PHE 53 CO 0.01 1.00 0.29 0.00 -1.61 0.00 0.00 178.31 178.00 1wuy h ALA 54 N 0.93 0.92 -0.03 2.45 0.00 -0.88 -0.69 119.26 121.97 1wuy h ALA 54 Ca -0.02 -0.18 -0.01 0.00 0.00 0.00 0.00 54.91 54.70 1wuy h ALA 54 Cb 1.26 -0.28 -0.00 0.00 0.00 0.00 0.00 17.79 18.77 1wuy h ALA 54 CO 0.12 0.53 -0.01 1.25 0.00 0.00 0.00 179.25 181.14 1wuy h LEU 55 N 1.01 0.06 -0.60 0.00 5.85 -1.37 -1.66 115.31 118.59 1wuy h LEU 55 Ca 0.24 -0.41 0.08 0.00 0.84 0.00 0.00 57.88 58.63 1wuy h LEU 55 Cb 0.20 -0.02 -0.06 0.00 0.37 0.00 0.00 40.66 41.15 1wuy h LEU 55 CO -0.02 0.46 0.26 0.00 -0.34 0.00 0.00 178.44 178.80 1wuy h ALA 56 N 0.60 0.79 -0.27 1.25 0.00 -1.10 0.22 119.26 120.75 1wuy h ALA 56 Ca 0.01 0.06 -0.07 0.00 0.00 0.00 0.00 54.91 54.90 1wuy h ALA 56 Cb 0.44 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.21 1wuy h ALA 56 CO 0.00 -0.14 -0.15 0.45 0.00 0.00 0.00 179.25 179.42 1wuy h HIS 57 N 0.47 0.50 -0.32 0.00 3.86 -1.11 0.14 115.15 118.69 1wuy h HIS 57 Ca 0.29 -0.08 -0.11 0.00 -1.16 0.00 0.00 60.37 59.32 1wuy h HIS 57 Cb 0.31 -0.13 -0.01 0.00 1.06 0.00 0.00 27.41 28.64 1wuy h HIS 57 CO -0.14 0.59 -0.22 1.15 0.86 0.00 0.00 177.93 180.17 1wuy h THR 58 N 0.42 1.29 -0.26 2.45 2.02 -0.18 -2.15 112.91 116.51 1wuy h THR 58 Ca 0.08 -1.37 -0.16 0.00 0.77 0.00 0.00 66.41 65.73 1wuy h THR 58 Cb 0.51 1.47 -0.00 0.00 -1.74 0.00 0.00 68.15 68.39 1wuy h THR 58 CO 0.03 0.44 -0.50 0.58 0.37 0.00 0.00 175.52 176.45 1wuy h VAL 59 N 0.48 1.29 -0.21 3.16 2.07 -0.38 -2.95 116.25 119.71 1wuy h VAL 59 Ca 0.06 -1.70 -0.06 0.00 0.82 0.00 0.00 66.70 65.82 1wuy h VAL 59 Cb 0.78 1.62 -0.01 0.00 -1.52 0.00 0.00 31.29 32.16 1wuy h VAL 59 CO 0.06 0.55 -0.12 -0.09 0.02 0.00 0.00 177.57 177.98 1wuy h ARG 60 N 0.57 0.34 -0.52 1.57 2.43 -0.71 -2.29 114.38 115.78 1wuy h ARG 60 Ca 0.02 -0.09 0.06 0.00 -0.81 0.00 0.00 59.98 59.17 1wuy h ARG 60 Cb 1.07 -0.04 -0.03 0.00 -0.42 0.00 0.00 29.97 30.54 1wuy h ARG 60 CO 0.10 0.48 0.35 -0.44 -1.51 0.00 0.00 179.97 178.95 1wuy h ASP 61 N 0.32 0.41 1.03 -3.80 3.45 -1.21 -2.38 116.42 114.25 1wuy h ASP 61 Ca 0.06 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.52 1wuy h ASP 61 Cb 0.42 -0.09 0.00 0.00 -0.56 0.00 0.00 39.33 39.10 1wuy h ASP 61 CO 0.02 0.27 0.00 0.45 -1.57 0.00 0.00 179.24 178.41 1wuy h HIS 62 N 0.47 0.00 -0.00 4.55 3.86 -1.44 -3.25 115.15 119.34 1wuy h HIS 62 Ca 0.22 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.43 1wuy h HIS 62 Cb 0.29 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.76 1wuy h HIS 62 CO -0.00 0.00 -0.61 1.47 0.86 0.00 0.00 177.93 179.65 1wuy n LEU 63 N -2.80 0.73 -0.30 2.43 -0.00 -0.90 -4.51 117.00 111.65 1wuy n LEU 63 Ca 0.02 -0.53 -0.04 0.00 -0.00 0.00 0.00 56.01 55.45 1wuy n LEU 63 Cb 0.31 0.00 0.07 0.00 -0.00 0.00 0.00 43.42 43.80 1wuy n LEU 63 CO 0.26 0.17 1.17 -0.37 -0.00 0.00 0.00 177.39 178.62 1wuy h VAL 64 N 0.16 1.23 -0.61 1.47 -1.51 -1.57 0.55 116.25 115.98 1wuy h VAL 64 Ca 0.00 -0.52 0.05 0.00 -1.23 0.00 0.00 66.70 65.00 1wuy h VAL 64 Cb 0.34 0.10 -0.05 0.00 -2.13 0.00 0.00 31.29 29.55 1wuy h VAL 64 CO 0.00 0.24 0.33 1.23 -1.23 0.00 0.00 177.57 178.14 1wuy h GLY 65 N 1.12 0.87 1.53 5.19 0.00 -1.79 -0.89 103.07 109.10 1wuy h GLY 65 Ca 0.29 -0.23 -0.19 0.00 0.00 0.00 0.00 47.33 47.21 1wuy h GLY 65 CO -0.05 0.14 -0.74 3.21 0.00 0.00 0.00 176.54 179.09 1wuy h ARG 66 N 0.61 0.46 -0.38 4.80 3.08 -1.60 -3.00 114.38 118.35 1wuy h ARG 66 Ca 0.27 -0.38 0.03 0.00 0.07 0.00 0.00 59.98 59.97 1wuy h ARG 66 Cb 0.17 0.08 -0.03 0.00 0.08 0.00 0.00 29.97 30.26 1wuy h ARG 66 CO -0.17 1.01 0.19 2.35 -1.07 0.00 0.00 179.97 182.27 1wuy h TRP 67 N 0.31 0.34 -0.47 3.04 7.01 0.72 -0.46 115.95 126.44 1wuy h TRP 67 Ca -0.04 0.02 -0.04 0.00 2.11 0.00 0.00 58.89 60.94 1wuy h TRP 67 Cb 1.33 -0.10 -0.02 0.00 -2.10 0.00 0.00 29.16 28.27 1wuy h TRP 67 CO 0.05 0.18 0.14 0.82 -2.79 0.00 0.00 178.44 176.83 1wuy h ILE 68 N 0.38 1.23 -0.10 2.65 2.04 -1.19 -2.32 117.51 120.20 1wuy h ILE 68 Ca 0.16 -0.78 -0.15 0.00 1.00 0.00 0.00 64.86 65.10 1wuy h ILE 68 Cb 0.08 0.84 -0.01 0.00 -0.74 0.00 0.00 36.82 36.99 1wuy h ILE 68 CO -0.12 0.28 -0.59 0.08 0.00 0.00 0.00 178.15 177.80 1wuy h ARG 69 N 0.63 0.31 0.11 2.37 0.11 -1.38 -0.47 114.38 116.05 1wuy h ARG 69 Ca 0.15 -0.21 -0.01 0.00 0.10 0.00 0.00 59.98 60.02 1wuy h ARG 69 Cb 0.29 0.03 0.00 0.00 1.11 0.00 0.00 29.97 31.40 1wuy h ARG 69 CO -0.00 0.81 -0.05 1.15 0.10 0.00 0.00 179.97 181.97 1wuy h THR 70 N 0.24 0.95 -0.45 0.08 2.02 -0.96 0.40 112.91 115.19 1wuy h THR 70 Ca -0.00 -0.20 -0.07 0.00 0.77 0.00 0.00 66.41 66.91 1wuy h THR 70 Cb 1.10 1.08 -0.02 0.00 -1.74 0.00 0.00 68.15 68.56 1wuy h THR 70 CO 0.10 0.05 -0.01 1.56 0.37 0.00 0.00 175.52 177.59 1wuy h GLN 71 N -0.24 0.74 -0.14 6.66 1.08 -1.37 -1.75 115.11 120.09 1wuy h GLN 71 Ca -0.01 -0.19 -0.13 0.00 -1.45 0.00 0.00 58.65 56.86 1wuy h GLN 71 Cb 0.19 -0.09 -0.01 0.00 -0.05 0.00 0.00 27.48 27.52 1wuy h GLN 71 CO 0.02 0.75 -0.48 -0.56 -0.95 0.00 0.00 178.83 177.62 1wuy h GLN 72 N 0.69 0.36 -0.06 1.46 3.07 -0.89 -2.65 115.11 117.10 1wuy h GLN 72 Ca 0.14 -0.20 0.00 0.00 0.09 0.00 0.00 58.65 58.68 1wuy h GLN 72 Cb 0.44 0.01 -0.00 0.00 0.08 0.00 0.00 27.48 28.01 1wuy h GLN 72 CO 0.02 0.76 0.03 1.25 0.09 0.00 0.00 178.83 180.99 1wuy h HIS 73 N 0.29 0.06 0.00 0.06 2.76 0.58 -1.64 115.15 117.27 1wuy h HIS 73 Ca 0.02 0.00 -0.02 0.00 -2.20 0.00 0.00 60.37 58.17 1wuy h HIS 73 Cb 0.95 -0.02 -0.00 0.00 1.55 0.00 0.00 27.41 29.88 1wuy h HIS 73 CO 0.03 0.04 -0.10 1.88 -1.30 0.00 0.00 177.93 178.48 1wuy h TYR 74 N 0.07 0.00 -0.09 5.26 0.05 -1.23 -0.39 116.97 120.64 1wuy h TYR 74 Ca 0.02 0.00 -0.19 0.00 0.05 0.00 0.00 58.73 58.61 1wuy h TYR 74 Cb -0.00 0.00 0.01 0.00 1.01 0.00 0.00 36.73 37.75 1wuy h TYR 74 CO -0.08 0.10 -0.69 -0.92 -1.05 0.00 0.00 178.16 175.52 1wuy h TYR 75 N 0.00 0.88 0.12 4.88 3.20 -1.04 -0.72 116.97 124.28 1wuy h TYR 75 Ca -0.00 -0.41 -0.01 0.00 3.14 0.00 0.00 58.73 61.45 1wuy h TYR 75 Cb 0.23 -0.13 0.00 0.00 1.54 0.00 0.00 36.73 38.37 1wuy h TYR 75 CO 0.00 1.22 -0.06 0.93 -1.64 0.00 0.00 178.16 178.62 1wuy h GLU 76 N 0.28 -0.15 -0.03 1.82 4.39 -0.69 -3.31 114.58 116.88 1wuy h GLU 76 Ca -0.06 0.01 -0.18 0.00 0.34 0.00 0.00 59.36 59.47 1wuy h GLU 76 Cb 1.34 0.03 -0.01 0.00 -0.10 0.00 0.00 28.75 30.02 1wuy h GLU 76 CO 0.14 0.29 -0.76 0.87 -1.16 0.00 0.00 179.01 178.39 1wuy h LYS 77 N -0.67 0.24 -5.54 2.33 1.79 -1.23 -3.49 116.57 110.01 1wuy h LYS 77 Ca -0.02 -0.21 -0.28 0.00 -2.18 0.00 0.00 60.65 57.96 1wuy h LYS 77 Cb 0.51 0.05 0.19 0.00 -1.58 0.00 0.00 32.23 31.40 1wuy h LYS 77 CO 0.03 0.89 -0.83 -3.47 -1.08 0.00 0.00 179.45 174.99 1wuy n ASP 78 N -3.76 -4.96 -4.53 0.86 2.03 -0.28 -5.02 116.55 100.90 1wuy n ASP 78 Ca -0.03 -0.68 -0.29 0.00 0.52 0.00 0.00 54.79 54.30 1wuy n ASP 78 Cb 0.72 -5.16 0.14 0.00 -0.72 0.00 0.00 41.12 36.11 1wuy n ASP 78 CO 0.00 0.00 0.00 -2.16 -1.92 0.00 0.00 177.20 173.12 1wuy s PRO 79 N -4.77 1.28 0.24 -0.67 0.04 -1.26 -4.98 135.00 124.89 1wuy s PRO 79 Ca 0.29 -0.13 -0.30 0.00 0.04 0.00 0.00 61.00 60.91 1wuy s PRO 79 Cb -0.04 -1.89 -0.10 0.00 0.04 0.00 0.00 34.50 32.51 1wuy s PRO 79 CO 0.74 -2.02 1.37 0.21 0.04 0.00 0.00 177.00 177.34 1wuy s LYS 80 N -5.71 4.33 -0.12 4.56 2.20 -1.26 -4.96 119.74 118.77 1wuy s LYS 80 Ca 0.68 2.19 -0.08 0.00 -0.36 0.00 0.00 55.97 58.40 1wuy s LYS 80 Cb -0.08 -3.14 -0.04 0.00 -1.51 0.00 0.00 37.83 33.06 1wuy s LYS 80 CO 0.51 -0.32 0.17 1.03 -0.36 0.00 0.00 175.35 176.38 1wuy s ARG 81 N -0.48 3.64 -0.24 4.03 3.00 -0.05 -4.52 118.95 124.32 1wuy s ARG 81 Ca 0.57 -0.09 -0.07 0.00 0.00 0.00 0.00 55.73 56.14 1wuy s ARG 81 Cb -0.39 -3.24 -0.03 0.00 0.00 0.00 0.00 34.95 31.29 1wuy s ARG 81 CO 0.43 0.67 0.06 0.42 0.00 0.00 0.00 175.30 176.88 1wuy s ILE 82 N -0.75 4.27 -0.28 1.52 -1.09 -0.06 -1.40 121.20 123.42 1wuy s ILE 82 Ca 0.15 -0.19 -0.05 0.00 -2.23 0.00 0.00 60.65 58.33 1wuy s ILE 82 Cb -0.12 -2.99 0.02 0.00 -1.58 0.00 0.00 42.46 37.79 1wuy s ILE 82 CO 0.04 0.36 0.03 -0.31 -1.23 0.00 0.00 174.94 173.83 1wuy s TYR 83 N 1.47 3.12 -0.54 3.97 2.02 0.16 -0.45 117.35 127.09 1wuy s TYR 83 Ca 0.06 -1.19 -0.16 0.00 -0.37 0.00 0.00 57.07 55.41 1wuy s TYR 83 Cb -0.15 -2.19 0.13 0.00 -0.40 0.00 0.00 41.96 39.36 1wuy s TYR 83 CO 0.03 -0.63 0.50 -0.47 -1.57 0.00 0.00 175.55 173.41 1wuy s TYR 84 N 1.44 3.26 -0.32 2.71 5.04 -0.29 -0.07 117.35 129.12 1wuy s TYR 84 Ca 0.02 -1.31 -0.22 0.00 -2.44 0.00 0.00 57.07 53.11 1wuy s TYR 84 Cb -0.17 -3.80 0.00 0.00 0.35 0.00 0.00 41.96 38.34 1wuy s TYR 84 CO 0.00 -1.02 0.74 -0.51 -1.34 0.00 0.00 175.55 173.42 1wuy s LEU 85 N 1.57 4.12 -0.04 6.97 1.02 -0.58 -1.79 118.68 129.96 1wuy s LEU 85 Ca 0.03 0.51 -0.06 0.00 0.02 0.00 0.00 54.13 54.63 1wuy s LEU 85 Cb -0.30 -2.98 0.01 0.00 0.02 0.00 0.00 46.19 42.94 1wuy s LEU 85 CO 0.03 -0.60 0.15 -0.55 0.02 0.00 0.00 176.35 175.40 1wuy s SER 86 N 1.68 -0.10 0.00 2.29 0.15 -1.04 -1.68 113.70 115.00 1wuy s SER 86 Ca 0.30 0.14 0.18 0.00 0.70 0.00 0.00 55.95 57.27 1wuy s SER 86 Cb -0.14 0.29 0.77 0.00 -1.71 0.00 0.00 66.02 65.23 1wuy s SER 86 CO 0.13 -0.17 1.54 0.18 1.20 0.00 0.00 173.24 176.13 1wuy n LEU 87 N 2.45 1.18 -3.81 3.45 4.32 -1.26 -4.23 117.00 119.09 1wuy n LEU 87 Ca -0.16 -0.51 -0.12 0.00 -0.02 0.00 0.00 56.01 55.20 1wuy n LEU 87 Cb 0.58 -0.09 -0.13 0.00 -1.62 0.00 0.00 43.42 42.17 1wuy n LEU 87 CO 0.21 0.25 -0.19 -1.61 -1.22 0.00 0.00 177.39 174.83 1wuy s GLU 88 N -1.83 0.17 -0.36 3.23 2.02 -1.26 -4.74 118.70 115.93 1wuy s GLU 88 Ca 0.29 0.23 0.02 0.00 0.02 0.00 0.00 54.97 55.53 1wuy s GLU 88 Cb 0.15 0.07 0.15 0.00 0.10 0.00 0.00 34.13 34.60 1wuy s GLU 88 CO 0.23 -0.03 0.32 -0.06 0.02 0.00 0.00 175.26 175.74 1wuy s PHE 89 N 0.17 -0.04 -1.28 1.61 0.40 -0.16 -4.65 117.98 114.03 1wuy s PHE 89 Ca -0.01 -0.98 -0.18 0.00 -0.60 0.00 0.00 56.93 55.16 1wuy s PHE 89 Cb -0.02 -0.55 0.06 0.00 0.51 0.00 0.00 43.02 43.03 1wuy s PHE 89 CO -0.00 -0.93 1.73 -0.47 0.70 0.00 0.00 175.22 176.25 1wuy s TYR 90 N 1.43 2.74 0.10 0.36 6.14 0.12 -3.79 117.35 124.45 1wuy s TYR 90 Ca 0.16 -1.52 -0.01 0.00 0.64 0.00 0.00 57.07 56.34 1wuy s TYR 90 Cb -0.17 -4.73 -0.22 0.00 0.42 0.00 0.00 41.96 37.26 1wuy s TYR 90 CO -0.05 -1.80 1.21 0.52 0.64 0.00 0.00 175.55 176.07 1wuy h MET 91 N 7.78 0.22 0.00 4.97 2.86 -1.77 -3.41 114.93 125.58 1wuy h MET 91 Ca 0.43 -0.34 0.00 0.00 -2.06 0.00 0.00 59.70 57.72 1wuy h MET 91 Cb 0.88 0.12 0.00 0.00 0.06 0.00 0.00 31.60 32.66 1wuy h MET 91 CO 1.45 1.13 0.00 0.41 1.06 0.00 0.00 176.91 180.97 1wuy n GLY 92 N 1.36 -0.88 3.81 8.32 0.00 -1.03 -4.81 105.19 111.96 1wuy n GLY 92 Ca -0.06 -1.19 -0.31 0.00 0.00 0.00 0.00 46.02 44.47 1wuy n GLY 92 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1wuy s ARG 93 N 0.00 2.54 0.00 1.61 0.52 -1.26 -2.22 118.95 120.14 1wuy s ARG 93 Ca 0.00 0.88 0.00 0.00 -0.52 0.00 0.00 55.73 56.09 1wuy s ARG 93 Cb 0.00 -1.95 0.00 0.00 0.52 0.00 0.00 34.95 33.52 1wuy s ARG 93 CO 0.00 -1.36 0.17 0.25 0.02 0.00 0.00 175.30 174.38 1wuy n THR 94 N -3.30 0.00 0.21 0.02 -2.24 -1.26 -4.74 114.28 102.97 1wuy n THR 94 Ca 0.07 -0.27 -0.14 0.00 -2.27 0.00 0.00 64.05 61.44 1wuy n THR 94 Cb 0.54 1.29 -0.08 0.00 -2.10 0.00 0.00 70.33 69.99 1wuy n THR 94 CO 0.00 0.00 0.00 0.25 -0.57 0.00 0.00 175.07 174.75 1wuy h LEU 95 N 0.00 -0.44 -0.38 3.22 5.85 -1.96 -2.55 115.31 119.04 1wuy h LEU 95 Ca 0.00 -0.10 -0.05 0.00 0.84 0.00 0.00 57.88 58.57 1wuy h LEU 95 Cb 0.15 0.11 -0.01 0.00 0.37 0.00 0.00 40.66 41.28 1wuy h LEU 95 CO 0.00 -0.15 0.03 -0.61 -0.34 0.00 0.00 178.44 177.37 1wuy h GLN 96 N -0.75 0.65 -0.68 1.25 4.15 -1.97 -2.22 115.11 115.55 1wuy h GLN 96 Ca -0.05 -0.19 0.09 0.00 0.77 0.00 0.00 58.65 59.27 1wuy h GLN 96 Cb 0.51 -0.07 -0.04 0.00 0.21 0.00 0.00 27.48 28.09 1wuy h GLN 96 CO 0.09 0.74 0.45 -0.97 -1.93 0.00 0.00 178.83 177.21 1wuy h ASN 97 N 0.49 0.50 0.16 -0.69 -0.73 -1.85 0.95 115.58 114.41 1wuy h ASN 97 Ca 0.11 0.01 -0.20 0.00 1.87 0.00 0.00 56.30 58.10 1wuy h ASN 97 Cb 0.42 -0.09 -0.00 0.00 0.27 0.00 0.00 38.32 38.92 1wuy h ASN 97 CO 0.01 0.30 -0.75 0.74 -0.37 0.00 0.00 177.43 177.36 1wuy h THR 98 N 0.56 1.35 -0.40 -3.57 2.02 -1.17 -2.18 112.91 109.53 1wuy h THR 98 Ca 0.31 -2.11 -0.05 0.00 0.77 0.00 0.00 66.41 65.33 1wuy h THR 98 Cb 0.48 2.09 -0.02 0.00 -1.74 0.00 0.00 68.15 68.97 1wuy h THR 98 CO -0.10 0.64 0.05 0.24 0.37 0.00 0.00 175.52 176.72 1wuy h MET 99 N 0.34 0.67 0.48 6.66 2.86 -0.62 -2.21 114.93 123.10 1wuy h MET 99 Ca -0.04 -0.18 -0.02 0.00 -2.06 0.00 0.00 59.70 57.39 1wuy h MET 99 Cb 1.34 -0.07 0.00 0.00 0.06 0.00 0.00 31.60 32.93 1wuy h MET 99 CO 0.14 0.72 -0.24 0.28 1.06 0.00 0.00 176.91 178.87 1wuy h VAL 100 N 0.51 0.52 0.00 -2.22 2.07 -0.83 0.32 116.25 116.63 1wuy h VAL 100 Ca 0.12 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.64 1wuy h VAL 100 Cb 0.39 0.52 0.00 0.00 -1.52 0.00 0.00 31.29 30.68 1wuy h VAL 100 CO 0.01 0.00 0.00 0.78 0.02 0.00 0.00 177.57 178.38 1wuy h ASN 101 N -0.65 0.00 -0.02 0.57 4.21 -1.39 -1.97 115.58 116.34 1wuy h ASN 101 Ca -0.06 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.45 1wuy h ASN 101 Cb 0.50 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 37.70 1wuy h ASN 101 CO 0.10 0.00 -0.20 0.18 -1.29 0.00 0.00 177.43 176.22 1wuy n LEU 102 N -2.50 1.92 -2.93 1.61 4.32 -0.83 -0.47 117.00 118.11 1wuy n LEU 102 Ca 0.00 -0.86 -0.19 0.00 -0.02 0.00 0.00 56.01 54.94 1wuy n LEU 102 Cb 0.16 0.00 0.06 0.00 -1.62 0.00 0.00 43.42 42.02 1wuy n LEU 102 CO 0.18 0.35 0.17 0.00 -1.22 0.00 0.00 177.39 176.88 1wuy n ALA 103 N 0.29 -1.02 0.57 -1.18 0.00 0.37 -4.92 120.51 114.63 1wuy n ALA 103 Ca 0.08 0.32 0.06 0.00 0.00 0.00 0.00 53.44 53.89 1wuy n ALA 103 Cb 0.37 -4.40 -0.05 0.00 0.00 0.00 0.00 19.45 15.36 1wuy n ALA 103 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1wuy n LEU 104 N -4.04 0.74 -0.26 0.00 4.32 0.86 -4.47 117.00 114.15 1wuy n LEU 104 Ca -0.01 -0.55 0.07 0.00 -0.02 0.00 0.00 56.01 55.50 1wuy n LEU 104 Cb 0.56 0.00 0.20 0.00 -1.62 0.00 0.00 43.42 42.56 1wuy n LEU 104 CO 0.51 0.17 0.99 -0.08 -1.22 0.00 0.00 177.39 177.76 1wuy h GLU 105 N 0.29 0.37 -0.04 3.23 4.81 -1.56 -0.08 114.58 121.61 1wuy h GLU 105 Ca 0.00 -0.02 -0.17 0.00 -0.13 0.00 0.00 59.36 59.04 1wuy h GLU 105 Cb 0.31 -0.08 0.01 0.00 0.63 0.00 0.00 28.75 29.62 1wuy h GLU 105 CO 0.00 0.24 -0.64 -0.91 -0.73 0.00 0.00 179.01 176.98 1wuy h ASN 106 N 0.38 0.62 -0.33 1.04 2.35 -1.58 -1.20 115.58 116.85 1wuy h ASN 106 Ca 0.44 -0.72 0.03 0.00 -0.55 0.00 0.00 56.30 55.50 1wuy h ASN 106 Cb 0.72 -0.19 -0.03 0.00 0.05 0.00 0.00 38.32 38.88 1wuy h ASN 106 CO -0.46 1.25 0.16 0.00 -1.65 0.00 0.00 177.43 176.73 1wuy h ALA 107 N 0.38 0.40 -0.65 -0.83 0.00 -1.60 0.14 119.26 117.11 1wuy h ALA 107 Ca -0.07 0.02 -0.07 0.00 0.00 0.00 0.00 54.91 54.78 1wuy h ALA 107 Cb 1.32 -0.04 -0.03 0.00 0.00 0.00 0.00 17.79 19.04 1wuy h ALA 107 CO 0.13 -0.22 0.12 0.00 0.00 0.00 0.00 179.25 179.27 1wuy h ASP 109 N 0.99 0.54 0.35 0.00 1.82 -0.71 -1.56 116.42 117.84 1wuy h ASP 109 Ca 0.20 -0.15 -0.02 0.00 -0.39 0.00 0.00 57.03 56.68 1wuy h ASP 109 Cb 0.41 -0.14 0.00 0.00 0.68 0.00 0.00 39.33 40.28 1wuy h ASP 109 CO 0.01 0.54 -0.17 -0.08 -1.61 0.00 0.00 179.24 177.93 1wuy h GLU 110 N 0.51 -0.45 -0.48 0.28 4.57 -0.50 -2.28 114.58 116.23 1wuy h GLU 110 Ca 0.14 0.03 0.10 0.00 -1.18 0.00 0.00 59.36 58.44 1wuy h GLU 110 Cb 0.15 0.10 -0.09 0.00 -0.16 0.00 0.00 28.75 28.76 1wuy h GLU 110 CO -0.01 -0.17 -0.07 0.00 -1.18 0.00 0.00 179.01 177.57 1wuy h ALA 111 N -0.13 0.37 -0.02 2.92 0.00 -0.86 -0.57 119.26 120.97 1wuy h ALA 111 Ca -0.05 0.17 -0.08 0.00 0.00 0.00 0.00 54.91 54.95 1wuy h ALA 111 Cb 0.48 0.32 -0.01 0.00 0.00 0.00 0.00 17.79 18.58 1wuy h ALA 111 CO 0.08 -0.43 -0.37 1.79 0.00 0.00 0.00 179.25 180.32 1wuy h THR 112 N 0.04 1.27 -0.05 0.00 1.35 -1.33 -1.94 112.91 112.25 1wuy h THR 112 Ca 0.24 -1.31 -0.00 0.00 -0.55 0.00 0.00 66.41 64.79 1wuy h THR 112 Cb 0.36 1.67 -0.00 0.00 -1.73 0.00 0.00 68.15 68.45 1wuy h THR 112 CO -0.46 0.38 0.02 0.22 -0.25 0.00 0.00 175.52 175.42 1wuy h TYR 113 N 0.04 0.07 0.00 4.73 3.20 -0.57 0.53 116.97 124.97 1wuy h TYR 113 Ca 0.00 -0.00 -0.04 0.00 3.14 0.00 0.00 58.73 61.83 1wuy h TYR 113 Cb 0.68 -0.02 -0.01 0.00 1.54 0.00 0.00 36.73 38.92 1wuy h TYR 113 CO 0.00 0.18 -0.19 1.96 -1.64 0.00 0.00 178.16 178.47 1wuy h GLN 114 N -0.06 0.00 -0.03 1.82 4.20 -0.85 0.15 115.11 120.33 1wuy h GLN 114 Ca 0.02 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.73 1wuy h GLN 114 Cb 0.13 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.91 1wuy h GLN 114 CO -0.00 0.19 0.00 1.28 -0.67 0.00 0.00 178.83 179.62 1wuy n LEU 115 N -4.28 0.31 -0.63 1.46 4.32 -0.76 -4.89 117.00 112.53 1wuy n LEU 115 Ca -0.02 -0.13 -0.06 0.00 -0.02 0.00 0.00 56.01 55.77 1wuy n LEU 115 Cb 0.25 -0.02 -0.01 0.00 -1.62 0.00 0.00 43.42 42.02 1wuy n LEU 115 CO 0.36 0.07 -0.07 0.61 -1.22 0.00 0.00 177.39 177.13 1wuy n GLY 116 N 0.82 0.37 3.42 -0.72 0.00 0.51 -5.05 105.19 104.54 1wuy n GLY 116 Ca 0.13 -0.68 -0.23 0.00 0.00 0.00 0.00 46.02 45.24 1wuy n GLY 116 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1wuy s LEU 117 N -1.67 2.52 -0.47 0.99 1.43 0.18 -4.99 118.68 116.68 1wuy s LEU 117 Ca 0.00 -0.96 -0.15 0.00 -1.03 0.00 0.00 54.13 51.99 1wuy s LEU 117 Cb 0.00 -1.01 0.08 0.00 0.03 0.00 0.00 46.19 45.29 1wuy s LEU 117 CO 0.00 0.01 0.38 -0.62 0.23 0.00 0.00 176.35 176.36 1wuy s ASP 118 N -3.15 6.07 0.29 2.29 3.68 -1.26 -3.48 116.67 121.11 1wuy s ASP 118 Ca 0.24 -1.40 0.04 0.00 2.13 0.00 0.00 52.55 53.57 1wuy s ASP 118 Cb -0.05 -2.16 0.70 0.00 -1.45 0.00 0.00 42.92 39.97 1wuy s ASP 118 CO 0.11 -0.65 1.74 -0.03 0.13 0.00 0.00 175.17 176.48 1wuy h MET 119 N 8.71 0.58 -0.37 4.34 1.85 -1.90 -0.34 114.93 127.80 1wuy h MET 119 Ca -0.28 -0.03 -0.03 0.00 -0.61 0.00 0.00 59.70 58.74 1wuy h MET 119 Cb 1.11 -0.13 -0.02 0.00 0.43 0.00 0.00 31.60 32.99 1wuy h MET 119 CO 0.87 0.38 0.09 0.93 -0.40 0.00 0.00 176.91 178.78 1wuy h GLU 120 N 0.60 0.54 -0.52 0.39 5.08 -1.99 -0.77 114.58 117.90 1wuy h GLU 120 Ca 0.55 -0.09 -0.12 0.00 -1.00 0.00 0.00 59.36 58.70 1wuy h GLU 120 Cb 0.93 -0.09 -0.02 0.00 0.50 0.00 0.00 28.75 30.07 1wuy h GLU 120 CO -0.43 0.51 -0.15 1.49 -1.00 0.00 0.00 179.01 179.42 1wuy h GLU 121 N 0.53 1.03 -0.39 2.33 4.81 -1.49 -2.93 114.58 118.48 1wuy h GLU 121 Ca 0.12 -0.41 -0.13 0.00 -0.13 0.00 0.00 59.36 58.82 1wuy h GLU 121 Cb 0.21 -0.05 -0.01 0.00 0.63 0.00 0.00 28.75 29.53 1wuy h GLU 121 CO -0.00 1.09 -0.28 -0.07 -0.73 0.00 0.00 179.01 179.02 1wuy h LEU 122 N 0.90 0.85 -1.51 1.64 4.07 -1.03 -3.03 115.31 117.21 1wuy h LEU 122 Ca 0.13 -0.34 0.01 0.00 0.08 0.00 0.00 57.88 57.76 1wuy h LEU 122 Cb 0.73 -0.24 -0.03 0.00 1.08 0.00 0.00 40.66 42.21 1wuy h LEU 122 CO 0.06 1.08 0.34 -0.33 -1.08 0.00 0.00 178.44 178.51 1wuy h GLU 123 N 0.70 0.65 0.00 1.13 5.08 -1.01 -1.00 114.58 120.13 1wuy h GLU 123 Ca 0.08 -0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.40 1wuy h GLU 123 Cb 0.82 -0.15 0.00 0.00 0.50 0.00 0.00 28.75 29.92 1wuy h GLU 123 CO 0.07 0.43 0.00 0.39 -1.00 0.00 0.00 179.01 178.90 1wuy n GLU 124 N -4.46 0.05 0.15 2.33 -0.58 -1.12 -2.50 120.64 114.52 1wuy n GLU 124 Ca 0.05 0.23 0.09 0.00 -0.42 0.00 0.00 57.16 57.12 1wuy n GLU 124 Cb 0.07 -1.50 0.06 0.00 -0.57 0.00 0.00 31.44 29.51 1wuy n GLU 124 CO 0.00 0.00 0.00 0.82 -0.48 0.00 0.00 177.13 177.47 1wuy h ILE 125 N 0.00 0.18 -3.56 -3.67 2.04 -1.28 -3.46 117.51 107.76 1wuy h ILE 125 Ca 0.00 -1.28 -0.52 0.00 1.00 0.00 0.00 64.86 64.06 1wuy h ILE 125 Cb 0.21 1.89 0.05 0.00 -0.74 0.00 0.00 36.82 38.23 1wuy h ILE 125 CO 0.00 0.10 0.67 -0.70 0.00 0.00 0.00 178.15 178.22 1wuy s GLU 126 N -3.20 4.36 0.19 2.37 2.12 -1.04 -5.00 118.70 118.50 1wuy s GLU 126 Ca 0.03 2.15 -0.22 0.00 0.36 0.00 0.00 54.97 57.29 1wuy s GLU 126 Cb 0.07 -3.13 -0.08 0.00 0.26 0.00 0.00 34.13 31.25 1wuy s GLU 126 CO 0.74 -0.25 0.74 -2.00 -0.54 0.00 0.00 175.26 173.95 1wuy s GLU 127 N -0.77 4.40 0.28 4.30 2.56 -1.26 -4.93 118.70 123.28 1wuy s GLU 127 Ca 0.54 1.00 -0.29 0.00 0.00 0.00 0.00 54.97 56.22 1wuy s GLU 127 Cb -0.39 -3.07 -0.10 0.00 2.00 0.00 0.00 34.13 32.58 1wuy s GLU 127 CO 0.44 0.49 1.20 -0.51 -0.56 0.00 0.00 175.26 176.32 1wuy s ASP 128 N -1.39 7.04 -1.08 -1.70 -0.00 -1.26 -4.51 116.67 113.78 1wuy s ASP 128 Ca 0.39 2.42 -0.16 0.00 -0.00 0.00 0.00 52.55 55.21 1wuy s ASP 128 Cb -0.20 -2.63 0.16 0.00 -0.00 0.00 0.00 42.92 40.25 1wuy s ASP 128 CO 0.23 -0.34 1.27 0.00 -0.00 0.00 0.00 175.17 176.33 1wuy s ALA 129 N -0.91 3.79 -1.01 5.23 0.00 -0.94 -4.87 121.76 123.05 1wuy s ALA 129 Ca 0.48 -3.15 -0.06 0.00 0.00 0.00 0.00 51.96 49.23 1wuy s ALA 129 Cb -0.35 -4.05 0.00 0.00 0.00 0.00 0.00 23.12 18.73 1wuy s ALA 129 CO 0.44 -2.81 2.78 0.41 0.00 0.00 0.00 175.76 176.59 1wuy n GLY 130 N 4.59 4.49 1.99 0.00 0.00 -1.26 -2.41 105.19 112.59 1wuy n GLY 130 Ca 0.30 -1.77 -0.18 0.00 0.00 0.00 0.00 46.02 44.37 1wuy n GLY 130 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1wuy n LEU 131 N 2.05 6.37 -3.78 0.99 4.77 -1.25 -0.77 117.00 125.39 1wuy n LEU 131 Ca 0.60 -3.40 -0.09 0.00 -0.03 0.00 0.00 56.01 53.10 1wuy n LEU 131 Cb 0.41 -1.11 -0.03 0.00 -2.33 0.00 0.00 43.42 40.36 1wuy n LEU 131 CO 0.56 1.33 0.37 -0.83 -1.33 0.00 0.00 177.39 177.49 1wuy s GLY 132 N 0.38 -0.09 -0.26 -0.72 0.00 -1.26 -0.99 107.32 104.38 1wuy s GLY 132 Ca 0.36 -0.24 -0.02 0.00 0.00 0.00 0.00 44.72 44.82 1wuy s GLY 132 CO -0.05 -0.17 -0.26 0.70 0.00 0.00 0.00 173.10 173.33 1wuy n ASN 133 N -0.40 2.00 0.00 1.64 3.02 -1.26 -4.49 115.26 115.76 1wuy n ASN 133 Ca -0.07 -0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.47 1wuy n ASN 133 Cb 0.61 -0.51 0.00 0.00 -0.61 0.00 0.00 39.78 39.27 1wuy n ASN 133 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1wuy n GLY 134 N 2.01 1.62 0.26 7.41 0.00 -1.26 -4.92 105.19 110.31 1wuy n GLY 134 Ca -0.47 0.25 -0.04 0.00 0.00 0.00 0.00 46.02 45.75 1wuy n GLY 134 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1wuy h GLY 135 N 0.00 0.14 0.78 -0.02 0.00 -1.99 -1.77 103.07 100.21 1wuy h GLY 135 Ca 0.00 0.26 0.04 0.00 0.00 0.00 0.00 47.33 47.63 1wuy h GLY 135 CO 0.00 -0.21 0.26 -2.00 0.00 0.00 0.00 176.54 174.59 1wuy h LEU 136 N -0.10 0.38 -0.59 3.11 6.46 -1.99 -0.54 115.31 122.05 1wuy h LEU 136 Ca 0.22 0.02 -0.15 0.00 -0.12 0.00 0.00 57.88 57.85 1wuy h LEU 136 Cb 0.45 -0.05 -0.01 0.00 -0.73 0.00 0.00 40.66 40.31 1wuy h LEU 136 CO -0.53 0.27 -0.67 1.23 -0.62 0.00 0.00 178.44 178.11 1wuy h GLY 137 N 0.50 0.19 2.00 3.75 0.00 -1.76 -3.07 103.07 104.69 1wuy h GLY 137 Ca 0.21 -0.26 -0.16 0.00 0.00 0.00 0.00 47.33 47.12 1wuy h GLY 137 CO -0.13 0.23 -0.76 -0.09 0.00 0.00 0.00 176.54 175.79 1wuy h ARG 138 N 0.12 0.00 -0.27 4.80 1.12 -1.12 0.41 114.38 119.44 1wuy h ARG 138 Ca -0.01 0.00 -0.01 0.00 -1.11 0.00 0.00 59.98 58.85 1wuy h ARG 138 Cb 1.20 0.00 -0.01 0.00 -0.01 0.00 0.00 29.97 31.15 1wuy h ARG 138 CO 0.10 0.76 0.13 1.25 -3.11 0.00 0.00 179.97 179.10 1wuy h LEU 139 N 0.00 0.35 -1.39 3.80 5.85 -1.01 -1.37 115.31 121.54 1wuy h LEU 139 Ca -0.01 -0.12 0.05 0.00 0.84 0.00 0.00 57.88 58.64 1wuy h LEU 139 Cb 1.35 -0.09 -0.04 0.00 0.37 0.00 0.00 40.66 42.25 1wuy h LEU 139 CO 0.10 0.37 0.46 0.00 -0.34 0.00 0.00 178.44 179.03 1wuy h ALA 140 N 0.99 1.67 -0.28 1.25 0.00 -1.51 0.11 119.26 121.49 1wuy h ALA 140 Ca 0.09 -0.03 -0.16 0.00 0.00 0.00 0.00 54.91 54.81 1wuy h ALA 140 Cb 0.11 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.69 1wuy h ALA 140 CO -0.01 0.24 -0.48 0.00 0.00 0.00 0.00 179.25 179.00 1wuy h ALA 141 N 1.61 0.63 -0.27 0.00 0.00 -1.32 -1.97 119.26 117.94 1wuy h ALA 141 Ca 0.29 -0.48 -0.18 0.00 0.00 0.00 0.00 54.91 54.54 1wuy h ALA 141 Cb 0.17 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 17.86 1wuy h ALA 141 CO -0.09 0.68 -0.53 0.00 0.00 0.00 0.00 179.25 179.31 1wuy h PHE 143 N 0.62 0.56 -0.62 0.00 -1.00 -0.74 -1.51 116.94 114.25 1wuy h PHE 143 Ca 0.02 -0.02 0.07 0.00 2.81 0.00 0.00 57.97 60.85 1wuy h PHE 143 Cb 1.12 -0.18 -0.06 0.00 3.61 0.00 0.00 35.95 40.44 1wuy h PHE 143 CO 0.06 0.44 0.31 -0.07 -1.61 0.00 0.00 178.31 177.44 1wuy h LEU 144 N 0.52 0.41 -0.73 1.54 4.07 -1.35 0.38 115.31 120.15 1wuy h LEU 144 Ca 0.14 0.05 -0.02 0.00 0.08 0.00 0.00 57.88 58.12 1wuy h LEU 144 Cb 0.07 -0.02 -0.03 0.00 1.08 0.00 0.00 40.66 41.75 1wuy h LEU 144 CO -0.02 0.26 0.37 -0.78 -1.08 0.00 0.00 178.44 177.18 1wuy h ASP 145 N 0.56 0.95 -0.12 -0.43 3.58 -1.35 -2.25 116.42 117.35 1wuy h ASP 145 Ca 0.29 -0.12 -0.20 0.00 0.42 0.00 0.00 57.03 57.42 1wuy h ASP 145 Cb 0.26 -0.24 0.00 0.00 1.72 0.00 0.00 39.33 41.07 1wuy h ASP 145 CO -0.22 0.80 -0.66 0.28 -2.88 0.00 0.00 179.24 176.56 1wuy h SER 146 N 1.02 0.85 -0.04 2.28 0.02 -0.20 -1.94 113.55 115.55 1wuy h SER 146 Ca 0.25 -0.51 -0.04 0.00 -0.84 0.00 0.00 61.79 60.65 1wuy h SER 146 Cb 0.10 -0.25 -0.01 0.00 0.14 0.00 0.00 62.40 62.38 1wuy h SER 146 CO -0.03 1.29 -0.08 0.24 -1.14 0.00 0.00 176.83 177.11 1wuy h MET 147 N 0.54 0.27 -0.08 3.45 2.86 -0.14 0.13 114.93 121.96 1wuy h MET 147 Ca -0.02 -0.05 -0.11 0.00 -2.06 0.00 0.00 59.70 57.46 1wuy h MET 147 Cb 1.26 -0.04 0.00 0.00 0.06 0.00 0.00 31.60 32.89 1wuy h MET 147 CO 0.13 0.37 -0.37 0.00 1.06 0.00 0.00 176.91 178.10 1wuy h ALA 148 N 1.66 0.15 0.00 6.32 0.00 -1.31 -0.58 119.26 125.50 1wuy h ALA 148 Ca 0.06 -0.46 -0.02 0.00 0.00 0.00 0.00 54.91 54.49 1wuy h ALA 148 Cb 0.31 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.09 1wuy h ALA 148 CO 0.01 0.24 -0.11 1.15 0.00 0.00 0.00 179.25 180.55 1wuy h THR 149 N -0.07 0.53 -0.64 0.00 2.02 -0.96 -1.66 112.91 112.12 1wuy h THR 149 Ca -0.02 -0.50 0.00 0.00 0.77 0.00 0.00 66.41 66.65 1wuy h THR 149 Cb 1.02 1.33 0.00 0.00 -1.74 0.00 0.00 68.15 68.76 1wuy h THR 149 CO 0.08 0.11 0.00 0.18 0.37 0.00 0.00 175.52 176.25 1wuy n LEU 150 N -3.61 4.95 -3.85 2.58 4.77 -0.00 -4.73 117.00 117.10 1wuy n LEU 150 Ca -0.02 -2.52 -0.25 0.00 -0.03 0.00 0.00 56.01 53.18 1wuy n LEU 150 Cb 0.23 -0.60 0.01 0.00 -2.33 0.00 0.00 43.42 40.74 1wuy n LEU 150 CO 0.30 0.79 -0.06 0.61 -1.33 0.00 0.00 177.39 177.70 1wuy n GLY 151 N 1.06 -0.34 3.89 -0.72 0.00 -0.63 -1.30 105.19 107.17 1wuy n GLY 151 Ca 0.26 0.15 -0.35 0.00 0.00 0.00 0.00 46.02 46.08 1wuy n GLY 151 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1wuy s LEU 152 N -6.94 4.38 -1.31 0.99 1.43 -0.24 -4.64 118.68 112.35 1wuy s LEU 152 Ca 0.22 0.42 -0.17 0.00 -1.03 0.00 0.00 54.13 53.56 1wuy s LEU 152 Cb -0.11 -2.36 0.04 0.00 0.03 0.00 0.00 46.19 43.79 1wuy s LEU 152 CO 0.84 0.33 1.89 0.00 0.23 0.00 0.00 176.35 179.65 1wuy n ALA 153 N 1.45 3.93 -2.53 4.21 0.00 -1.26 -4.69 120.51 121.61 1wuy n ALA 153 Ca -0.15 -3.77 -0.31 0.00 0.00 0.00 0.00 53.44 49.21 1wuy n ALA 153 Cb 0.54 -3.58 -0.11 0.00 0.00 0.00 0.00 19.45 16.29 1wuy n ALA 153 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1wuy s ALA 154 N 4.53 2.82 -0.05 0.00 0.00 -1.26 -0.88 121.76 126.92 1wuy s ALA 154 Ca 0.53 -1.17 0.02 0.00 0.00 0.00 0.00 51.96 51.34 1wuy s ALA 154 Cb 0.07 -0.88 0.01 0.00 0.00 0.00 0.00 23.12 22.31 1wuy s ALA 154 CO 0.04 0.61 -0.12 0.71 0.00 0.00 0.00 175.76 177.00 1wuy s TYR 155 N -1.05 1.33 -0.16 0.00 2.02 0.40 -4.04 117.35 115.85 1wuy s TYR 155 Ca 0.18 -0.44 -0.16 0.00 -0.37 0.00 0.00 57.07 56.28 1wuy s TYR 155 Cb -0.11 -0.97 -0.04 0.00 -0.40 0.00 0.00 41.96 40.44 1wuy s TYR 155 CO 0.09 -0.22 0.38 0.20 -1.57 0.00 0.00 175.55 174.43 1wuy s GLY 156 N 0.50 2.23 -0.09 0.71 0.00 -0.92 -1.14 107.32 108.61 1wuy s GLY 156 Ca -0.11 -0.40 0.04 0.00 0.00 0.00 0.00 44.72 44.25 1wuy s GLY 156 CO 0.03 0.64 -0.21 -0.19 0.00 0.00 0.00 173.10 173.36 1wuy s TYR 157 N 0.76 2.32 0.00 1.90 2.02 -0.74 -0.15 117.35 123.46 1wuy s TYR 157 Ca 0.20 -0.94 0.00 0.00 -0.37 0.00 0.00 57.07 55.96 1wuy s TYR 157 Cb -0.14 -1.57 0.00 0.00 -0.40 0.00 0.00 41.96 39.85 1wuy s TYR 157 CO 0.07 -0.39 0.00 0.41 -1.57 0.00 0.00 175.55 174.07 1wuy n GLY 158 N 3.58 3.16 3.56 0.71 0.00 -0.76 -2.49 105.19 112.95 1wuy n GLY 158 Ca -0.20 -0.78 -0.34 0.00 0.00 0.00 0.00 46.02 44.71 1wuy n GLY 158 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1wuy s ILE 159 N -2.77 3.70 -0.93 -0.61 1.01 -1.26 -1.05 121.20 119.30 1wuy s ILE 159 Ca 0.00 -0.47 -0.15 0.00 0.00 0.00 0.00 60.65 60.03 1wuy s ILE 159 Cb 0.00 -2.53 0.19 0.00 0.01 0.00 0.00 42.46 40.12 1wuy s ILE 159 CO 0.00 0.58 0.99 -0.60 0.00 0.00 0.00 174.94 175.91 1wuy s ARG 160 N -0.56 3.70 0.30 2.79 3.52 0.09 -4.73 118.95 124.06 1wuy s ARG 160 Ca 0.08 -2.28 -0.29 0.00 -0.13 0.00 0.00 55.73 53.11 1wuy s ARG 160 Cb -0.12 -4.68 -0.10 0.00 -1.56 0.00 0.00 34.95 28.50 1wuy s ARG 160 CO 0.02 -1.51 1.11 0.71 -0.81 0.00 0.00 175.30 174.82 1wuy s TYR 161 N 1.09 3.50 -0.77 5.12 2.02 -1.26 -4.74 117.35 122.32 1wuy s TYR 161 Ca 0.27 1.67 0.25 0.00 -0.37 0.00 0.00 57.07 58.90 1wuy s TYR 161 Cb -0.07 -3.30 0.62 0.00 -0.40 0.00 0.00 41.96 38.80 1wuy s TYR 161 CO -0.08 -0.66 1.54 -0.85 -1.57 0.00 0.00 175.55 173.93 1wuy n GLU 162 N 1.02 0.20 -3.88 -0.62 0.28 -1.06 -4.60 120.64 111.98 1wuy n GLU 162 Ca -0.00 0.10 -0.28 0.00 -0.16 0.00 0.00 57.16 56.81 1wuy n GLU 162 Cb 0.45 -1.67 -0.16 0.00 1.43 0.00 0.00 31.44 31.49 1wuy n GLU 162 CO 0.00 0.00 0.00 -0.06 -0.16 0.00 0.00 177.13 176.91 1wuy s PHE 163 N -3.10 1.68 0.00 -1.84 0.40 -0.54 -4.18 117.98 110.40 1wuy s PHE 163 Ca 0.09 -1.08 0.00 0.00 -0.60 0.00 0.00 56.93 55.34 1wuy s PHE 163 Cb 0.14 -1.30 0.00 0.00 0.51 0.00 0.00 43.02 42.37 1wuy s PHE 163 CO 0.66 -0.62 0.00 0.41 0.70 0.00 0.00 175.22 176.37 1wuy n GLY 164 N 4.88 1.24 3.73 4.36 0.00 -1.22 -1.83 105.19 116.36 1wuy n GLY 164 Ca -0.12 -1.67 -0.42 0.00 0.00 0.00 0.00 46.02 43.82 1wuy n GLY 164 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 1wuy s ILE 165 N 1.18 2.27 0.75 -0.61 1.10 0.05 -4.49 121.20 121.45 1wuy s ILE 165 Ca 0.00 0.21 -0.16 0.00 -0.51 0.00 0.00 60.65 60.19 1wuy s ILE 165 Cb 0.00 -3.13 -0.00 0.00 0.15 0.00 0.00 42.46 39.47 1wuy s ILE 165 CO 0.00 0.02 0.76 2.22 -2.11 0.00 0.00 174.94 175.83 1wuy n PHE 166 N 3.32 -0.06 -3.01 3.50 1.16 -1.26 -4.60 117.46 116.52 1wuy n PHE 166 Ca 0.12 0.37 -0.40 0.00 -1.87 0.00 0.00 57.45 55.67 1wuy n PHE 166 Cb 0.37 -1.99 -0.05 0.00 -1.61 0.00 0.00 39.48 36.21 1wuy n PHE 166 CO 0.00 0.00 0.00 -0.80 -1.87 0.00 0.00 176.76 174.09 1wuy s ASN 167 N -1.64 7.01 -0.05 5.98 0.01 -0.23 -4.89 114.94 121.13 1wuy s ASN 167 Ca 0.69 1.22 -0.19 0.00 -0.71 0.00 0.00 52.86 53.87 1wuy s ASN 167 Cb -0.33 -2.43 -0.05 0.00 0.41 0.00 0.00 41.25 38.85 1wuy s ASN 167 CO 0.55 -0.15 0.53 -1.58 -1.51 0.00 0.00 177.10 174.94 1wuy s GLN 168 N 0.91 4.28 -0.01 -0.60 0.74 -1.26 -2.30 119.66 121.42 1wuy s GLN 168 Ca 0.39 0.59 0.04 0.00 0.05 0.00 0.00 55.36 56.43 1wuy s GLN 168 Cb -0.18 -3.37 -0.01 0.00 1.10 0.00 0.00 33.01 30.55 1wuy s GLN 168 CO 0.18 0.31 -0.14 0.15 -0.55 0.00 0.00 175.29 175.24 1wuy s LYS 169 N 0.06 1.22 -0.33 1.67 1.02 -0.27 -3.88 119.74 119.23 1wuy s LYS 169 Ca 0.28 -0.52 -0.09 0.00 0.02 0.00 0.00 55.97 55.67 1wuy s LYS 169 Cb -0.17 -1.16 0.01 0.00 -0.52 0.00 0.00 37.83 35.99 1wuy s LYS 169 CO 0.14 0.30 0.15 0.42 -0.92 0.00 0.00 175.35 175.43 1wuy s ILE 170 N -0.28 4.35 -0.24 2.17 -1.09 -1.26 0.18 121.20 125.02 1wuy s ILE 170 Ca 0.04 -0.70 -0.02 0.00 -2.23 0.00 0.00 60.65 57.74 1wuy s ILE 170 Cb -0.06 -3.32 0.02 0.00 -1.58 0.00 0.00 42.46 37.52 1wuy s ILE 170 CO -0.00 -0.05 -0.06 0.00 -1.23 0.00 0.00 174.94 173.60 1wuy n GLY 172 N 4.69 -0.51 2.43 0.00 0.00 -1.26 -0.47 105.19 110.07 1wuy n GLY 172 Ca -0.17 0.10 0.00 0.00 0.00 0.00 0.00 46.02 45.95 1wuy n GLY 172 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1wuy n GLY 173 N -1.34 2.00 3.92 -0.02 0.00 -1.26 -5.03 105.19 103.46 1wuy n GLY 173 Ca -0.12 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.61 1wuy n GLY 173 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1wuy s TRP 174 N -3.04 3.49 0.09 1.61 0.52 0.38 -3.95 118.94 118.04 1wuy s TRP 174 Ca 0.00 0.32 -0.27 0.00 0.02 0.00 0.00 56.10 56.17 1wuy s TRP 174 Cb 0.00 -1.83 -0.06 0.00 -1.15 0.00 0.00 33.47 30.44 1wuy s TRP 174 CO 0.00 0.47 0.86 -1.14 0.02 0.00 0.00 176.95 177.15 1wuy s GLN 175 N -2.98 4.60 -0.07 4.98 0.74 -1.26 0.13 119.66 125.80 1wuy s GLN 175 Ca 0.37 1.25 0.05 0.00 0.05 0.00 0.00 55.36 57.09 1wuy s GLN 175 Cb -0.12 -3.36 -0.01 0.00 1.10 0.00 0.00 33.01 30.63 1wuy s GLN 175 CO 0.28 0.28 -0.25 -1.64 -0.55 0.00 0.00 175.29 173.41 1wuy s MET 176 N -0.14 2.70 0.03 1.67 -1.94 0.47 -4.87 119.30 117.21 1wuy s MET 176 Ca 0.42 -0.89 -0.04 0.00 -1.71 0.00 0.00 55.69 53.47 1wuy s MET 176 Cb -0.22 -2.20 -0.04 0.00 2.01 0.00 0.00 34.83 34.38 1wuy s MET 176 CO 0.26 0.31 0.24 -1.21 -0.01 0.00 0.00 175.02 174.62 1wuy s GLU 177 N 0.00 3.51 -0.14 2.03 8.01 -1.26 -1.12 118.70 129.74 1wuy s GLU 177 Ca -0.09 -0.22 -0.11 0.00 0.01 0.00 0.00 54.97 54.56 1wuy s GLU 177 Cb -0.15 -3.05 0.04 0.00 -4.31 0.00 0.00 34.13 26.66 1wuy s GLU 177 CO 0.05 0.63 0.37 -1.83 0.01 0.00 0.00 175.26 174.49 1wuy s GLU 178 N -2.04 0.40 0.14 1.61 -1.05 -0.97 -4.98 118.70 111.82 1wuy s GLU 178 Ca 0.30 0.57 -0.33 0.00 -0.15 0.00 0.00 54.97 55.36 1wuy s GLU 178 Cb -0.13 0.13 -0.17 0.00 -0.44 0.00 0.00 34.13 33.52 1wuy s GLU 178 CO 0.20 -0.08 0.94 0.00 0.95 0.00 0.00 175.26 177.26 1wuy n ALA 179 N 3.28 -2.22 -3.27 -0.84 0.00 -1.26 -1.07 120.51 115.13 1wuy n ALA 179 Ca -0.16 0.49 -0.46 0.00 0.00 0.00 0.00 53.44 53.31 1wuy n ALA 179 Cb 0.57 -1.82 -0.01 0.00 0.00 0.00 0.00 19.45 18.18 1wuy n ALA 179 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 1wuy s ASP 180 N -0.32 7.05 -1.43 0.00 3.68 -1.26 -4.66 116.67 119.72 1wuy s ASP 180 Ca 0.75 -3.10 -0.10 0.00 2.13 0.00 0.00 52.55 52.22 1wuy s ASP 180 Cb -0.99 -2.24 0.06 0.00 -1.45 0.00 0.00 42.92 38.30 1wuy s ASP 180 CO 0.55 -0.49 2.33 -0.67 0.13 0.00 0.00 175.17 177.02 1wuy n ASP 181 N 3.70 5.99 0.23 -0.34 -0.08 -1.26 -3.42 116.55 121.37 1wuy n ASP 181 Ca 0.21 -2.90 0.16 0.00 -1.51 0.00 0.00 54.79 50.75 1wuy n ASP 181 Cb 0.43 -1.54 0.73 0.00 2.34 0.00 0.00 41.12 43.08 1wuy n ASP 181 CO 0.00 0.00 0.00 4.11 0.12 0.00 0.00 177.20 181.43 1wuy h TRP 182 N 5.47 0.00 -0.02 -0.67 5.08 -1.92 -2.70 115.95 121.19 1wuy h TRP 182 Ca 0.61 0.00 0.00 0.00 1.08 0.00 0.00 58.89 60.58 1wuy h TRP 182 Cb 0.50 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 26.66 1wuy h TRP 182 CO 1.52 0.00 -0.06 1.28 -1.28 0.00 0.00 178.44 179.90 1wuy n LEU 183 N -2.74 2.18 -0.33 0.11 4.77 -1.26 -4.61 117.00 115.11 1wuy n LEU 183 Ca 0.00 -0.73 -0.01 0.00 -0.03 0.00 0.00 56.01 55.24 1wuy n LEU 183 Cb 0.20 -0.01 0.03 0.00 -2.33 0.00 0.00 43.42 41.31 1wuy n LEU 183 CO 0.21 0.37 0.50 -1.14 -1.33 0.00 0.00 177.39 176.00 1wuy n ARG 184 N 0.62 -0.21 -0.28 3.23 0.63 -1.02 -0.67 116.66 118.96 1wuy n ARG 184 Ca 0.15 1.32 0.12 0.00 -0.92 0.00 0.00 57.85 58.52 1wuy n ARG 184 Cb 0.47 -1.96 0.27 0.00 0.45 0.00 0.00 32.46 31.69 1wuy n ARG 184 CO 0.00 0.00 0.00 0.66 -2.51 0.00 0.00 177.63 175.78 1wuy n TYR 185 N -5.26 0.73 0.00 -0.14 4.02 -1.26 -5.06 117.16 110.19 1wuy n TYR 185 Ca 0.08 -0.36 0.00 0.00 -0.01 0.00 0.00 57.90 57.61 1wuy n TYR 185 Cb 0.34 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 39.66 1wuy n TYR 185 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1wuy n GLY 186 N 1.57 1.19 3.01 2.72 0.00 0.15 -4.97 105.19 108.85 1wuy n GLY 186 Ca 0.22 -1.75 -0.31 0.00 0.00 0.00 0.00 46.02 44.17 1wuy n GLY 186 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1wuy s ASN 187 N -0.77 4.63 0.23 1.61 2.47 -1.26 -4.88 114.94 116.97 1wuy s ASN 187 Ca 0.00 -1.96 0.21 0.00 0.42 0.00 0.00 52.86 51.52 1wuy s ASN 187 Cb 0.00 -1.55 0.94 0.00 -1.45 0.00 0.00 41.25 39.19 1wuy s ASN 187 CO 0.00 -0.35 1.63 -0.81 -3.72 0.00 0.00 177.10 173.85 1wuy n PRO 188 N 4.34 0.15 -0.00 0.43 -0.04 -1.26 -3.28 135.00 135.33 1wuy n PRO 188 Ca 0.00 0.47 -0.08 0.00 -0.04 0.00 0.00 63.50 63.84 1wuy n PRO 188 Cb 0.42 -1.83 -0.14 0.00 -0.04 0.00 0.00 33.50 31.91 1wuy n PRO 188 CO 0.00 0.00 0.00 -1.49 -0.04 0.00 0.00 175.50 173.97 1wuy h TRP 189 N 0.00 0.00 -3.68 0.54 4.06 -1.96 -3.48 115.95 111.44 1wuy h TRP 189 Ca 0.00 -0.00 -0.48 0.00 2.06 0.00 0.00 58.89 60.46 1wuy h TRP 189 Cb 0.24 -0.00 0.05 0.00 -1.00 0.00 0.00 29.16 28.44 1wuy h TRP 189 CO 0.00 1.00 0.17 -1.83 -3.56 0.00 0.00 178.44 174.22 1wuy s GLU 190 N -2.63 3.22 -0.10 0.49 -1.05 -1.21 -4.33 118.70 113.09 1wuy s GLU 190 Ca -0.03 0.14 -0.04 0.00 -0.15 0.00 0.00 54.97 54.89 1wuy s GLU 190 Cb 0.08 -2.30 0.05 0.00 -0.44 0.00 0.00 34.13 31.53 1wuy s GLU 190 CO 0.82 -0.50 0.20 0.21 0.95 0.00 0.00 175.26 176.94 1wuy s LYS 191 N -4.91 0.10 0.32 -4.83 2.47 -0.35 -4.96 119.74 107.57 1wuy s LYS 191 Ca 0.51 0.59 -0.28 0.00 -1.56 0.00 0.00 55.97 55.23 1wuy s LYS 191 Cb -0.10 -0.17 -0.10 0.00 -1.46 0.00 0.00 37.83 36.00 1wuy s LYS 191 CO 0.46 -0.26 1.17 0.00 0.16 0.00 0.00 175.35 176.87 1wuy s ALA 192 N 2.04 3.38 -0.58 3.13 0.00 -1.26 -1.06 121.76 127.40 1wuy s ALA 192 Ca -0.01 1.00 0.04 0.00 0.00 0.00 0.00 51.96 53.00 1wuy s ALA 192 Cb -0.12 -3.38 0.16 0.00 0.00 0.00 0.00 23.12 19.79 1wuy s ALA 192 CO -0.07 -0.36 0.40 1.03 0.00 0.00 0.00 175.76 176.76 1wuy s ARG 193 N -1.73 1.88 0.00 0.00 0.52 -0.18 -4.92 118.95 114.52 1wuy s ARG 193 Ca 0.48 -2.80 0.00 0.00 -0.52 0.00 0.00 55.73 52.89 1wuy s ARG 193 Cb -0.34 -2.78 0.00 0.00 0.52 0.00 0.00 34.95 32.36 1wuy s ARG 193 CO 0.43 -1.28 0.66 -0.35 0.02 0.00 0.00 175.30 174.79 1wuy n PRO 194 N 2.50 0.70 -0.04 3.54 -0.04 -1.26 -2.77 135.00 137.61 1wuy n PRO 194 Ca 0.19 0.00 0.03 0.00 -0.04 0.00 0.00 63.50 63.68 1wuy n PRO 194 Cb 0.38 -1.03 -0.16 0.00 -0.04 0.00 0.00 33.50 32.64 1wuy n PRO 194 CO 0.00 0.00 0.00 -0.85 -0.04 0.00 0.00 175.50 174.61 1wuy n GLU 195 N -0.44 0.69 -0.87 0.54 0.28 -1.26 -4.18 120.64 115.40 1wuy n GLU 195 Ca 0.00 -0.12 -0.06 0.00 -0.16 0.00 0.00 57.16 56.82 1wuy n GLU 195 Cb 0.02 -1.51 0.24 0.00 1.43 0.00 0.00 31.44 31.62 1wuy n GLU 195 CO 0.00 0.00 0.00 1.19 -0.16 0.00 0.00 177.13 178.16 1wuy n PHE 196 N -2.42 1.79 -2.09 -1.84 0.99 -1.12 -5.00 117.46 107.77 1wuy n PHE 196 Ca -0.15 -1.39 -0.41 0.00 -0.00 0.00 0.00 57.45 55.51 1wuy n PHE 196 Cb 0.78 -0.59 -0.02 0.00 -1.00 0.00 0.00 39.48 38.64 1wuy n PHE 196 CO 0.00 0.00 0.00 0.99 -0.00 0.00 0.00 176.76 177.75 1wuy s THR 197 N -3.11 2.74 0.11 4.37 2.01 -1.26 -4.64 115.64 115.86 1wuy s THR 197 Ca 0.49 0.69 0.06 0.00 0.31 0.00 0.00 61.69 63.25 1wuy s THR 197 Cb 0.42 -3.44 -0.03 0.00 0.01 0.00 0.00 72.50 69.45 1wuy s THR 197 CO 0.07 0.14 -0.15 -0.76 -0.69 0.00 0.00 174.62 173.24 1wuy s LEU 198 N -1.24 2.36 -0.00 4.42 1.02 -0.28 -4.95 118.68 120.01 1wuy s LEU 198 Ca 0.53 -0.74 -0.12 0.00 0.02 0.00 0.00 54.13 53.82 1wuy s LEU 198 Cb -0.40 -0.58 -0.05 0.00 0.02 0.00 0.00 46.19 45.18 1wuy s LEU 198 CO 0.49 -0.10 0.35 -2.16 0.02 0.00 0.00 176.35 174.94 1wuy s PRO 199 N -2.32 3.77 -0.04 1.29 0.04 -1.26 0.11 135.00 136.60 1wuy s PRO 199 Ca 0.06 0.23 0.05 0.00 0.04 0.00 0.00 61.00 61.38 1wuy s PRO 199 Cb -0.07 -3.16 -0.01 0.00 0.04 0.00 0.00 34.50 31.30 1wuy s PRO 199 CO 0.03 0.68 -0.19 0.08 0.04 0.00 0.00 177.00 177.64 1wuy s VAL 200 N -1.15 1.52 0.06 -0.36 1.01 0.21 -4.89 120.40 116.79 1wuy s VAL 200 Ca 0.24 -0.78 0.02 0.00 0.00 0.00 0.00 61.98 61.45 1wuy s VAL 200 Cb -0.15 -1.29 -0.04 0.00 0.00 0.00 0.00 36.38 34.90 1wuy s VAL 200 CO 0.13 0.43 0.11 -1.00 0.00 0.00 0.00 175.10 174.78 1wuy s HIS 201 N -0.14 3.30 0.04 5.22 3.76 -1.26 -0.88 115.29 125.33 1wuy s HIS 201 Ca -0.00 0.15 0.00 0.00 -0.15 0.00 0.00 55.06 55.06 1wuy s HIS 201 Cb -0.10 -1.68 -0.03 0.00 1.11 0.00 0.00 32.58 31.88 1wuy s HIS 201 CO 0.01 0.55 -0.04 -0.06 -0.85 0.00 0.00 174.74 174.35 1wuy s PHE 202 N -1.38 0.42 0.00 1.40 0.40 -0.27 -4.95 117.98 113.60 1wuy s PHE 202 Ca 0.29 -0.70 0.00 0.00 -0.60 0.00 0.00 56.93 55.93 1wuy s PHE 202 Cb -0.12 -0.29 0.00 0.00 0.51 0.00 0.00 43.02 43.11 1wuy s PHE 202 CO 0.22 -0.23 0.00 0.66 0.70 0.00 0.00 175.22 176.57 1wuy n TYR 203 N 1.07 0.00 -4.18 0.36 4.01 0.96 -0.68 117.16 118.70 1wuy n TYR 203 Ca -0.20 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.54 1wuy n TYR 203 Cb 0.57 0.02 0.00 0.00 -0.31 0.00 0.00 39.34 39.62 1wuy n TYR 203 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1wuy n GLY 204 N 0.00 -1.04 3.66 2.72 0.00 -1.21 -4.58 105.19 104.74 1wuy n GLY 204 Ca 0.00 -1.22 -0.10 0.00 0.00 0.00 0.00 46.02 44.70 1wuy n GLY 204 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1wuy s ARG 205 N 0.00 1.82 -0.16 1.61 1.70 0.48 -4.86 118.95 119.54 1wuy s ARG 205 Ca 0.00 -1.37 -0.02 0.00 -0.47 0.00 0.00 55.73 53.86 1wuy s ARG 205 Cb 0.00 0.52 -0.02 0.00 -0.57 0.00 0.00 34.95 34.88 1wuy s ARG 205 CO 0.00 -0.79 -0.07 0.08 -1.08 0.00 0.00 175.30 173.43 1wuy s VAL 206 N -3.40 3.46 -0.20 4.99 1.01 -1.26 -0.25 120.40 124.74 1wuy s VAL 206 Ca 0.21 -0.50 -0.06 0.00 0.00 0.00 0.00 61.98 61.63 1wuy s VAL 206 Cb -0.02 -2.51 -0.03 0.00 0.00 0.00 0.00 36.38 33.82 1wuy s VAL 206 CO 0.12 0.49 0.03 -1.61 0.00 0.00 0.00 175.10 174.12 1wuy s GLU 207 N 0.65 3.73 -0.55 2.72 2.02 0.32 -4.92 118.70 122.66 1wuy s GLU 207 Ca -0.04 -0.46 -0.17 0.00 0.02 0.00 0.00 54.97 54.32 1wuy s GLU 207 Cb -0.15 -3.15 0.12 0.00 0.10 0.00 0.00 34.13 31.05 1wuy s GLU 207 CO 0.02 0.06 0.54 -1.01 0.02 0.00 0.00 175.26 174.90 1wuy s HIS 208 N 0.90 3.20 0.18 1.61 3.76 -1.26 0.30 115.29 123.97 1wuy s HIS 208 Ca 0.02 -1.22 0.02 0.00 -0.15 0.00 0.00 55.06 53.73 1wuy s HIS 208 Cb -0.14 -3.83 0.03 0.00 1.11 0.00 0.00 32.58 29.75 1wuy s HIS 208 CO 0.02 -1.07 0.25 0.25 -0.85 0.00 0.00 174.74 173.34 1wuy n THR 209 N 5.31 0.00 -0.23 1.30 -2.24 -0.27 -4.98 114.28 113.17 1wuy n THR 209 Ca -0.13 -0.50 -0.01 0.00 -2.27 0.00 0.00 64.05 61.14 1wuy n THR 209 Cb 0.41 -1.01 0.11 0.00 -2.10 0.00 0.00 70.33 67.73 1wuy n THR 209 CO 0.00 0.00 0.00 0.28 -0.57 0.00 0.00 175.07 174.78 1wuy h SER 210 N -0.05 0.51 -2.05 3.42 0.02 -2.01 -3.21 113.55 110.18 1wuy h SER 210 Ca -0.08 0.04 -0.59 0.00 -0.84 0.00 0.00 61.79 60.32 1wuy h SER 210 Cb 0.35 -0.06 -0.42 0.00 0.14 0.00 0.00 62.40 62.41 1wuy h SER 210 CO 0.10 0.32 -0.67 1.67 -1.14 0.00 0.00 176.83 177.11 1wuy n GLN 211 N -4.81 3.27 0.00 3.45 -0.06 -1.26 -5.07 117.38 112.90 1wuy n GLN 211 Ca 0.09 -4.74 0.00 0.00 -2.00 0.00 0.00 57.00 50.35 1wuy n GLN 211 Cb 0.20 -2.23 0.00 0.00 -4.06 0.00 0.00 30.24 24.14 1wuy n GLN 211 CO 0.00 0.00 0.00 0.41 -0.20 0.00 0.00 177.06 177.27 1wuy n GLY 212 N -0.31 2.50 3.90 1.69 0.00 -1.21 -5.07 105.19 106.69 1wuy n GLY 212 Ca 0.33 -2.08 -0.28 0.00 0.00 0.00 0.00 46.02 43.99 1wuy n GLY 212 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1wuy s ALA 213 N -2.24 3.38 -0.02 4.61 0.00 -1.26 -1.11 121.76 125.11 1wuy s ALA 213 Ca 0.00 -0.44 0.00 0.00 0.00 0.00 0.00 51.96 51.52 1wuy s ALA 213 Cb 0.00 -2.63 0.03 0.00 0.00 0.00 0.00 23.12 20.52 1wuy s ALA 213 CO 0.00 -0.33 0.01 0.15 0.00 0.00 0.00 175.76 175.59 1wuy s LYS 214 N -4.65 0.17 -0.33 0.00 1.02 0.15 -4.90 119.74 111.19 1wuy s LYS 214 Ca 0.48 0.10 -0.21 0.00 0.02 0.00 0.00 55.97 56.36 1wuy s LYS 214 Cb -0.10 -0.37 -0.00 0.00 -0.52 0.00 0.00 37.83 36.84 1wuy s LYS 214 CO 0.44 -0.13 0.68 -0.46 -0.92 0.00 0.00 175.35 174.96 1wuy s TRP 215 N 0.94 3.17 0.30 3.18 -0.00 -1.26 -0.53 118.94 124.74 1wuy s TRP 215 Ca -0.09 0.53 0.07 0.00 -0.00 0.00 0.00 56.10 56.62 1wuy s TRP 215 Cb -0.12 -3.14 -0.06 0.00 -0.00 0.00 0.00 33.47 30.14 1wuy s TRP 215 CO -0.02 -0.58 -0.07 0.54 -0.00 0.00 0.00 176.95 176.82 1wuy s VAL 216 N 2.78 1.80 -1.45 5.86 0.11 0.65 -4.83 120.40 125.33 1wuy s VAL 216 Ca 0.27 -2.14 -0.05 0.00 -2.93 0.00 0.00 61.98 57.12 1wuy s VAL 216 Cb -0.14 -2.51 0.04 0.00 -1.53 0.00 0.00 36.38 32.23 1wuy s VAL 216 CO 0.14 -0.26 0.64 0.47 -3.33 0.00 0.00 175.10 172.76 1wuy n ASP 217 N -0.65 -1.77 -4.92 3.54 8.00 -1.26 -0.39 116.55 119.10 1wuy n ASP 217 Ca -0.05 -0.92 -0.26 0.00 0.71 0.00 0.00 54.79 54.27 1wuy n ASP 217 Cb 0.63 -3.41 -0.01 0.00 -0.02 0.00 0.00 41.12 38.31 1wuy n ASP 217 CO 0.00 0.00 0.00 0.42 -0.39 0.00 0.00 177.20 177.23 1wuy s THR 218 N -3.67 5.03 -0.10 -3.53 -4.23 -1.26 -3.36 115.64 104.51 1wuy s THR 218 Ca 0.23 -0.17 -0.15 0.00 -1.18 0.00 0.00 61.69 60.42 1wuy s THR 218 Cb -0.12 -3.85 -0.05 0.00 1.34 0.00 0.00 72.50 69.83 1wuy s THR 218 CO 0.86 -0.63 0.37 -1.58 -0.54 0.00 0.00 174.62 173.11 1wuy s GLN 219 N -4.36 4.14 -0.13 3.99 0.74 0.14 -4.88 119.66 119.30 1wuy s GLN 219 Ca 0.43 0.28 -0.05 0.00 0.05 0.00 0.00 55.36 56.07 1wuy s GLN 219 Cb -0.10 -3.36 -0.04 0.00 1.10 0.00 0.00 33.01 30.62 1wuy s GLN 219 CO 0.38 0.38 0.06 0.08 -0.55 0.00 0.00 175.29 175.64 1wuy s VAL 220 N -0.02 4.84 -0.02 1.34 1.01 -1.26 -1.11 120.40 125.17 1wuy s VAL 220 Ca 0.21 -0.03 0.04 0.00 0.00 0.00 0.00 61.98 62.20 1wuy s VAL 220 Cb -0.15 -3.11 -0.01 0.00 0.00 0.00 0.00 36.38 33.12 1wuy s VAL 220 CO 0.09 0.56 -0.14 -0.69 0.00 0.00 0.00 175.10 174.91 1wuy s VAL 221 N -0.49 1.16 0.22 2.92 1.01 -0.06 -4.51 120.40 120.65 1wuy s VAL 221 Ca 0.10 -0.59 -0.07 0.00 0.00 0.00 0.00 61.98 61.42 1wuy s VAL 221 Cb -0.12 -0.99 -0.06 0.00 0.00 0.00 0.00 36.38 35.21 1wuy s VAL 221 CO 0.02 0.34 0.50 -0.76 0.00 0.00 0.00 175.10 175.19 1wuy s LEU 222 N -0.10 4.17 -0.23 3.92 1.43 0.15 0.64 118.68 128.64 1wuy s LEU 222 Ca 0.01 0.75 0.02 0.00 -1.03 0.00 0.00 54.13 53.87 1wuy s LEU 222 Cb -0.08 -3.52 0.04 0.00 0.03 0.00 0.00 46.19 42.67 1wuy s LEU 222 CO 0.00 -0.07 -0.13 0.00 0.23 0.00 0.00 176.35 176.38 1wuy s ALA 223 N -1.85 2.52 -0.23 4.21 0.00 0.31 -0.98 121.76 125.74 1wuy s ALA 223 Ca 0.44 -1.55 -0.09 0.00 0.00 0.00 0.00 51.96 50.77 1wuy s ALA 223 Cb -0.11 -1.48 -0.04 0.00 0.00 0.00 0.00 23.12 21.48 1wuy s ALA 223 CO 0.25 -0.87 0.11 1.41 0.00 0.00 0.00 175.76 176.66 1wuy s MET 224 N 1.20 3.90 0.34 0.00 1.75 0.75 -1.12 119.30 126.11 1wuy s MET 224 Ca -0.03 -0.36 -0.16 0.00 -1.25 0.00 0.00 55.69 53.89 1wuy s MET 224 Cb -0.17 -3.40 -0.09 0.00 2.84 0.00 0.00 34.83 34.00 1wuy s MET 224 CO -0.07 0.01 0.77 -1.25 -0.65 0.00 0.00 175.02 173.82 1wuy s PRO 225 N 1.15 4.05 -0.09 4.11 0.04 -1.26 -0.50 135.00 142.50 1wuy s PRO 225 Ca 0.06 0.75 -0.00 0.00 0.04 0.00 0.00 61.00 61.84 1wuy s PRO 225 Cb -0.14 -2.40 0.02 0.00 0.04 0.00 0.00 34.50 32.02 1wuy s PRO 225 CO 0.04 0.13 -0.05 0.71 0.04 0.00 0.00 177.00 177.88 1wuy s TYR 226 N -2.00 1.12 -0.13 0.56 1.51 -0.22 -1.01 117.35 117.19 1wuy s TYR 226 Ca 0.55 -0.47 -0.11 0.00 -1.01 0.00 0.00 57.07 56.03 1wuy s TYR 226 Cb -0.10 -1.01 -0.05 0.00 -0.11 0.00 0.00 41.96 40.69 1wuy s TYR 226 CO 0.17 -0.40 0.23 -0.51 -1.11 0.00 0.00 175.55 173.93 1wuy s ASP 227 N 1.65 6.44 -0.05 2.29 -0.00 -0.22 -1.16 116.67 125.62 1wuy s ASP 227 Ca 0.02 0.52 0.05 0.00 -0.00 0.00 0.00 52.55 53.13 1wuy s ASP 227 Cb -0.13 -2.14 -0.00 0.00 -0.00 0.00 0.00 42.92 40.65 1wuy s ASP 227 CO -0.05 0.26 -0.19 -0.89 -0.00 0.00 0.00 175.17 174.29 1wuy s THR 228 N -0.32 1.59 0.29 -1.27 2.01 -0.47 -1.22 115.64 116.25 1wuy s THR 228 Ca 0.15 -0.80 -0.29 0.00 0.31 0.00 0.00 61.69 61.06 1wuy s THR 228 Cb -0.13 -1.36 -0.09 0.00 0.01 0.00 0.00 72.50 70.93 1wuy s THR 228 CO 0.04 0.45 1.09 -2.16 -0.69 0.00 0.00 174.62 173.36 1wuy s PRO 229 N 0.00 4.61 -0.46 4.92 0.04 -1.26 -1.18 135.00 141.67 1wuy s PRO 229 Ca -0.04 1.77 0.03 0.00 0.04 0.00 0.00 61.00 62.81 1wuy s PRO 229 Cb -0.12 -3.15 0.12 0.00 0.04 0.00 0.00 34.50 31.39 1wuy s PRO 229 CO 0.03 0.20 0.21 0.08 0.04 0.00 0.00 177.00 177.55 1wuy s VAL 230 N -1.20 2.23 0.16 -0.36 1.01 0.51 -4.89 120.40 117.87 1wuy s VAL 230 Ca 0.45 -2.91 -0.30 0.00 0.00 0.00 0.00 61.98 59.22 1wuy s VAL 230 Cb -0.31 -2.57 -0.07 0.00 0.00 0.00 0.00 36.38 33.42 1wuy s VAL 230 CO 0.40 -0.78 1.08 -2.16 0.00 0.00 0.00 175.10 173.64 1wuy s PRO 231 N 0.13 4.61 0.74 2.72 0.04 -1.26 -0.43 135.00 141.54 1wuy s PRO 231 Ca 0.16 1.67 -0.11 0.00 0.04 0.00 0.00 61.00 62.76 1wuy s PRO 231 Cb -0.24 -3.30 0.03 0.00 0.04 0.00 0.00 34.50 31.04 1wuy s PRO 231 CO -0.03 0.09 1.10 0.20 0.04 0.00 0.00 177.00 178.41 1wuy s GLY 232 N -0.07 1.63 -0.61 0.56 0.00 0.21 -4.79 107.32 104.24 1wuy s GLY 232 Ca 0.49 -0.31 -0.28 0.00 0.00 0.00 0.00 44.72 44.62 1wuy s GLY 232 CO 0.34 0.08 1.38 -0.47 0.00 0.00 0.00 173.10 174.42 1wuy s TYR 233 N -3.31 2.29 -1.05 1.90 6.14 -1.26 -4.16 117.35 117.90 1wuy s TYR 233 Ca 0.59 0.36 -0.00 0.00 0.64 0.00 0.00 57.07 58.66 1wuy s TYR 233 Cb -0.12 -4.45 0.00 0.00 0.42 0.00 0.00 41.96 37.81 1wuy s TYR 233 CO 0.52 -1.96 0.02 0.54 0.64 0.00 0.00 175.55 175.32 1wuy n ARG 234 N 8.83 -2.30 -0.00 4.97 3.00 0.38 -4.83 116.66 126.71 1wuy n ARG 234 Ca 0.10 0.59 0.00 0.00 -0.01 0.00 0.00 57.85 58.53 1wuy n ARG 234 Cb 0.49 -5.19 0.01 0.00 0.00 0.00 0.00 32.46 27.77 1wuy n ARG 234 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.63 177.90 1wuy n ASN 235 N -1.82 1.99 -1.98 0.55 2.04 -1.26 -4.96 115.26 109.82 1wuy n ASN 235 Ca -0.14 -2.04 -0.19 0.00 -0.44 0.00 0.00 54.58 51.77 1wuy n ASN 235 Cb 0.61 -0.02 -0.03 0.00 -2.53 0.00 0.00 39.78 37.81 1wuy n ASN 235 CO 0.00 0.00 0.00 0.59 -0.44 0.00 0.00 177.26 177.41 1wuy n ASN 236 N -0.54 -5.42 -4.55 0.53 3.02 -1.26 -0.25 115.26 106.80 1wuy n ASN 236 Ca 0.01 0.11 -0.34 0.00 -0.03 0.00 0.00 54.58 54.32 1wuy n ASN 236 Cb 0.27 -4.50 -0.12 0.00 -0.61 0.00 0.00 39.78 34.83 1wuy n ASN 236 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 1wuy s VAL 237 N -2.88 3.88 -0.20 2.41 1.01 -1.26 -4.59 120.40 118.76 1wuy s VAL 237 Ca 0.00 -0.38 -0.03 0.00 0.00 0.00 0.00 61.98 61.56 1wuy s VAL 237 Cb 0.00 -2.65 0.06 0.00 0.00 0.00 0.00 36.38 33.79 1wuy s VAL 237 CO 0.00 0.54 0.06 -0.69 0.00 0.00 0.00 175.10 175.01 1wuy s VAL 238 N -0.17 0.31 0.78 2.92 1.01 -1.26 0.63 120.40 124.62 1wuy s VAL 238 Ca 0.03 -0.49 -0.03 0.00 0.00 0.00 0.00 61.98 61.49 1wuy s VAL 238 Cb -0.13 -0.92 0.16 0.00 0.00 0.00 0.00 36.38 35.49 1wuy s VAL 238 CO 0.02 -0.29 1.07 0.20 0.00 0.00 0.00 175.10 176.10 1wuy s ASN 239 N 1.95 4.01 -0.01 3.32 0.01 0.42 -4.64 114.94 120.00 1wuy s ASN 239 Ca 0.01 -0.39 0.07 0.00 -0.71 0.00 0.00 52.86 51.84 1wuy s ASN 239 Cb -0.17 0.16 -0.02 0.00 0.41 0.00 0.00 41.25 41.63 1wuy s ASN 239 CO -0.11 -2.11 -0.22 -0.89 -1.51 0.00 0.00 177.10 172.26 1wuy s THR 240 N -3.29 1.71 -0.27 1.60 2.01 -1.26 -0.36 115.64 115.78 1wuy s THR 240 Ca 0.69 -0.96 -0.03 0.00 0.31 0.00 0.00 61.69 61.69 1wuy s THR 240 Cb -0.04 -1.43 0.02 0.00 0.01 0.00 0.00 72.50 71.07 1wuy s THR 240 CO 0.46 0.45 -0.00 -0.32 -0.69 0.00 0.00 174.62 174.51 1wuy s MET 241 N -0.60 2.88 -0.29 4.92 1.75 -0.33 -2.17 119.30 125.46 1wuy s MET 241 Ca 0.08 -0.97 -0.10 0.00 -1.25 0.00 0.00 55.69 53.46 1wuy s MET 241 Cb -0.08 -3.14 -0.02 0.00 2.84 0.00 0.00 34.83 34.42 1wuy s MET 241 CO -0.00 -0.44 0.15 0.50 -0.65 0.00 0.00 175.02 174.58 1wuy s ARG 242 N 1.38 3.59 -0.15 4.11 3.52 0.79 -1.37 118.95 130.82 1wuy s ARG 242 Ca 0.00 -0.55 -0.02 0.00 -0.13 0.00 0.00 55.73 55.04 1wuy s ARG 242 Cb -0.17 -3.56 -0.02 0.00 -1.56 0.00 0.00 34.95 29.64 1wuy s ARG 242 CO -0.02 -0.30 -0.09 -0.51 -0.81 0.00 0.00 175.30 173.57 1wuy s LEU 243 N 1.67 2.91 0.06 -0.88 1.02 -0.30 -1.83 118.68 121.32 1wuy s LEU 243 Ca 0.06 -0.27 -0.20 0.00 0.02 0.00 0.00 54.13 53.74 1wuy s LEU 243 Cb -0.16 -1.68 -0.06 0.00 0.02 0.00 0.00 46.19 44.30 1wuy s LEU 243 CO 0.07 0.14 0.58 0.26 0.02 0.00 0.00 176.35 177.42 1wuy s TRP 244 N 0.51 3.79 -0.06 0.29 0.52 -0.22 -1.05 118.94 122.72 1wuy s TRP 244 Ca -0.06 1.27 0.05 0.00 0.02 0.00 0.00 56.10 57.38 1wuy s TRP 244 Cb -0.15 -2.52 -0.02 0.00 -1.15 0.00 0.00 33.47 29.63 1wuy s TRP 244 CO 0.04 0.55 -0.22 0.45 0.02 0.00 0.00 176.95 177.78 1wuy s SER 245 N -0.95 3.34 0.02 2.95 0.15 0.34 -0.74 113.70 118.82 1wuy s SER 245 Ca 0.29 -0.43 -0.26 0.00 0.70 0.00 0.00 55.95 56.25 1wuy s SER 245 Cb -0.19 -0.84 -0.05 0.00 -1.71 0.00 0.00 66.02 63.23 1wuy s SER 245 CO 0.19 0.27 0.83 0.00 1.20 0.00 0.00 173.24 175.72 1wuy s ALA 246 N -0.29 3.30 -0.00 5.45 0.00 -1.26 -0.18 121.76 128.78 1wuy s ALA 246 Ca 0.01 0.35 0.02 0.00 0.00 0.00 0.00 51.96 52.34 1wuy s ALA 246 Cb -0.13 -3.10 -0.01 0.00 0.00 0.00 0.00 23.12 19.88 1wuy s ALA 246 CO 0.03 -0.05 -0.08 0.15 0.00 0.00 0.00 175.76 175.81 1wuy s LYS 247 N 0.36 0.63 0.10 0.00 -0.14 -0.15 -4.68 119.74 115.86 1wuy s LYS 247 Ca 0.42 -0.32 -0.21 0.00 -1.36 0.00 0.00 55.97 54.50 1wuy s LYS 247 Cb -0.20 -0.60 -0.07 0.00 -1.68 0.00 0.00 37.83 35.28 1wuy s LYS 247 CO 0.24 0.16 0.63 0.00 -0.76 0.00 0.00 175.35 175.62 1wuy s ALA 248 N -0.27 3.55 0.56 5.17 0.00 -1.26 -0.68 121.76 128.83 1wuy s ALA 248 Ca 0.02 0.13 -0.19 0.00 0.00 0.00 0.00 51.96 51.93 1wuy s ALA 248 Cb -0.03 -2.73 -0.05 0.00 0.00 0.00 0.00 23.12 20.30 1wuy s ALA 248 CO -0.00 0.37 1.12 -1.25 0.00 0.00 0.00 175.76 175.99 1wuy s PRO 249 N -1.11 3.28 0.19 0.00 0.04 -1.26 -4.90 135.00 131.23 1wuy s PRO 249 Ca 0.31 1.54 0.26 0.00 0.04 0.00 0.00 61.00 63.15 1wuy s PRO 249 Cb -0.21 -2.00 0.83 0.00 0.04 0.00 0.00 34.50 33.17 1wuy s PRO 249 CO 0.21 -0.89 1.78 0.09 0.04 0.00 0.00 177.00 178.23 1wuy n ASN 250 N -1.50 0.74 0.00 6.66 5.03 -1.26 -3.86 115.26 121.06 1wuy n ASN 250 Ca 0.11 0.55 0.00 0.00 0.87 0.00 0.00 54.58 56.11 1wuy n ASN 250 Cb 0.51 -0.74 0.00 0.00 -1.02 0.00 0.00 39.78 38.54 1wuy n ASN 250 CO 0.00 0.00 0.00 -0.90 -1.83 0.00 0.00 177.26 174.53 1wuy n ASP 251 N -2.19 0.00 -0.41 6.41 5.75 -1.26 -4.44 116.55 120.42 1wuy n ASP 251 Ca 0.06 0.00 0.35 0.00 -0.01 0.00 0.00 54.79 55.19 1wuy n ASP 251 Cb 0.42 0.00 0.60 0.00 -1.03 0.00 0.00 41.12 41.11 1wuy n ASP 251 CO 0.00 0.00 0.00 0.49 -0.11 0.00 0.00 177.20 177.58 1wuy n PHE 252 N 0.00 0.68 -0.91 2.11 0.99 -1.26 0.22 117.46 119.29 1wuy n PHE 252 Ca 0.00 0.69 -0.11 0.00 -0.00 0.00 0.00 57.45 58.03 1wuy n PHE 252 Cb 0.00 -1.11 -0.15 0.00 -1.00 0.00 0.00 39.48 37.22 1wuy n PHE 252 CO 0.00 0.00 0.00 -1.71 -0.00 0.00 0.00 176.76 175.05 1wuy n ASN 253 N -4.56 4.89 0.00 4.37 5.15 -1.25 -2.78 115.26 121.08 1wuy n ASN 253 Ca 0.36 -2.41 0.00 0.00 -0.60 0.00 0.00 54.58 51.93 1wuy n ASN 253 Cb 1.37 -1.31 0.00 0.00 -0.53 0.00 0.00 39.78 39.31 1wuy n ASN 253 CO 0.00 0.00 0.00 -0.11 1.40 0.00 0.00 177.26 178.55 1wuy n LEU 254 N 2.49 0.00 0.24 1.20 -0.00 0.15 -4.71 117.00 116.37 1wuy n LEU 254 Ca 0.38 0.00 0.13 0.00 -0.00 0.00 0.00 56.01 56.52 1wuy n LEU 254 Cb 0.84 0.00 0.43 0.00 -0.00 0.00 0.00 43.42 44.69 1wuy n LEU 254 CO 0.12 0.00 0.85 0.50 -0.00 0.00 0.00 177.39 178.87 1wuy h LYS 255 N 0.00 0.00 -5.66 1.96 3.64 0.29 -3.40 116.57 113.41 1wuy h LYS 255 Ca 0.00 0.00 -0.32 0.00 -1.27 0.00 0.00 60.65 59.06 1wuy h LYS 255 Cb 0.00 0.00 -0.05 0.00 -0.41 0.00 0.00 32.23 31.77 1wuy h LYS 255 CO 0.00 0.09 0.87 0.34 -2.27 0.00 0.00 179.45 178.48 1wuy s ASP 256 N -6.02 5.17 1.13 4.20 -1.08 -1.12 -4.88 116.67 114.07 1wuy s ASP 256 Ca 0.03 -1.01 -0.16 0.00 -0.52 0.00 0.00 52.55 50.90 1wuy s ASP 256 Cb 0.08 -2.57 0.22 0.00 -1.46 0.00 0.00 42.92 39.19 1wuy s ASP 256 CO 0.62 -2.79 0.95 2.22 0.52 0.00 0.00 175.17 176.69 1wuy n PHE 257 N 13.88 -3.82 -0.50 -5.34 -1.74 -1.26 -4.92 117.46 113.76 1wuy n PHE 257 Ca 0.41 -0.85 0.00 0.00 -0.56 0.00 0.00 57.45 56.45 1wuy n PHE 257 Cb 0.47 -0.89 0.00 0.00 1.52 0.00 0.00 39.48 40.58 1wuy n PHE 257 CO 0.00 0.00 0.00 0.09 -0.56 0.00 0.00 176.76 176.29 1wuy n ASN 258 N -4.23 -0.67 -1.56 5.98 4.13 -1.26 -5.05 115.26 112.60 1wuy n ASN 258 Ca 0.13 0.00 0.00 0.00 1.68 0.00 0.00 54.58 56.39 1wuy n ASN 258 Cb 0.47 -0.29 -0.00 0.00 -1.54 0.00 0.00 39.78 38.42 1wuy n ASN 258 CO 0.00 0.00 0.00 0.52 0.28 0.00 0.00 177.26 178.06 1wuy n VAL 259 N -0.38 -2.84 0.00 2.41 0.31 -1.26 -5.03 118.33 111.54 1wuy n VAL 259 Ca 0.00 1.43 0.00 0.00 -0.01 0.00 0.00 64.34 65.76 1wuy n VAL 259 Cb 0.17 -2.39 0.00 0.00 -0.91 0.00 0.00 33.84 30.71 1wuy n VAL 259 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1wuy n GLY 260 N -2.65 1.77 0.00 2.92 0.00 -1.26 -5.09 105.19 100.88 1wuy n GLY 260 Ca -0.00 -0.16 0.00 0.00 0.00 0.00 0.00 46.02 45.86 1wuy n GLY 260 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1wuy n GLY 261 N 0.00 3.25 0.17 -0.02 0.00 -1.26 -4.77 105.19 102.56 1wuy n GLY 261 Ca 0.00 -1.37 -0.16 0.00 0.00 0.00 0.00 46.02 44.49 1wuy n GLY 261 CO 0.00 0.00 0.00 -1.82 0.00 0.00 0.00 173.32 171.50 1wuy h TYR 262 N 0.00 0.72 0.06 1.61 3.20 -1.98 -2.18 116.97 118.39 1wuy h TYR 262 Ca 0.00 -0.30 -0.00 0.00 3.14 0.00 0.00 58.73 61.57 1wuy h TYR 262 Cb 0.00 -0.12 0.00 0.00 1.54 0.00 0.00 36.73 38.15 1wuy h TYR 262 CO 0.00 1.07 -0.03 0.82 -1.64 0.00 0.00 178.16 178.38 1wuy h ILE 263 N 0.17 0.97 -0.67 1.81 1.08 -2.00 -2.41 117.51 116.46 1wuy h ILE 263 Ca -0.02 -0.08 0.08 0.00 -0.39 0.00 0.00 64.86 64.45 1wuy h ILE 263 Cb 1.10 1.02 -0.06 0.00 -3.07 0.00 0.00 36.82 35.81 1wuy h ILE 263 CO 0.10 0.02 0.34 1.56 -0.69 0.00 0.00 178.15 179.48 1wuy h GLN 264 N -0.11 0.58 -0.93 2.37 1.08 -1.86 -0.78 115.11 115.47 1wuy h GLN 264 Ca -0.01 -0.04 0.07 0.00 -1.45 0.00 0.00 58.65 57.23 1wuy h GLN 264 Cb 0.09 -0.13 -0.07 0.00 -0.05 0.00 0.00 27.48 27.32 1wuy h GLN 264 CO 0.01 0.39 0.58 0.00 -0.95 0.00 0.00 178.83 178.86 1wuy h ALA 265 N 1.39 1.29 -0.24 3.87 0.00 -1.11 0.10 119.26 124.56 1wuy h ALA 265 Ca 0.32 -0.01 -0.16 0.00 0.00 0.00 0.00 54.91 55.06 1wuy h ALA 265 Cb 0.29 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 17.83 1wuy h ALA 265 CO -0.24 0.33 -0.48 0.28 0.00 0.00 0.00 179.25 179.14 1wuy h VAL 266 N 1.04 1.30 0.00 0.00 2.07 -0.85 -3.10 116.25 116.71 1wuy h VAL 266 Ca 0.41 -1.68 -0.06 0.00 0.82 0.00 0.00 66.70 66.19 1wuy h VAL 266 Cb 0.21 1.75 -0.01 0.00 -1.52 0.00 0.00 31.29 31.72 1wuy h VAL 266 CO -0.19 0.54 -0.29 -0.07 0.02 0.00 0.00 177.57 177.58 1wuy h LEU 267 N 0.49 0.00 0.00 2.57 3.38 -0.74 -2.54 115.31 118.47 1wuy h LEU 267 Ca 0.01 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.98 1wuy h LEU 267 Cb 1.09 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.84 1wuy h LEU 267 CO 0.11 0.29 0.00 0.47 0.09 0.00 0.00 178.44 179.39 1wuy n ASP 268 N -3.75 0.00 0.21 -0.43 8.00 0.32 -3.02 116.55 117.90 1wuy n ASP 268 Ca -0.01 -0.99 0.08 0.00 0.71 0.00 0.00 54.79 54.58 1wuy n ASP 268 Cb 0.39 0.00 0.46 0.00 -0.02 0.00 0.00 41.12 41.95 1wuy n ASP 268 CO 0.00 0.00 0.00 0.03 -0.39 0.00 0.00 177.20 176.84 1wuy h ARG 269 N 0.00 0.00 -4.12 -1.24 3.08 -1.49 -3.26 114.38 107.35 1wuy h ARG 269 Ca 0.00 0.00 -0.71 0.00 0.07 0.00 0.00 59.98 59.34 1wuy h ARG 269 Cb 0.00 0.00 -0.06 0.00 0.08 0.00 0.00 29.97 29.99 1wuy h ARG 269 CO 0.00 0.28 2.91 0.09 -1.07 0.00 0.00 179.97 182.18 1wuy n ASN 270 N -3.64 4.12 0.00 7.04 3.02 -1.17 -2.37 115.26 122.26 1wuy n ASN 270 Ca -0.01 -2.88 0.00 0.00 -0.03 0.00 0.00 54.58 51.66 1wuy n ASN 270 Cb 0.41 -1.65 0.00 0.00 -0.61 0.00 0.00 39.78 37.93 1wuy n ASN 270 CO 0.00 0.00 0.00 -0.11 -2.62 0.00 0.00 177.26 174.53 1wuy n LEU 271 N 6.06 0.00 0.02 3.41 7.94 -1.23 -4.76 117.00 128.43 1wuy n LEU 271 Ca 0.50 0.00 -0.03 0.00 -1.11 0.00 0.00 56.01 55.37 1wuy n LEU 271 Cb 0.39 0.00 -0.10 0.00 0.53 0.00 0.00 43.42 44.25 1wuy n LEU 271 CO 0.88 0.00 -0.34 0.00 -1.11 0.00 0.00 177.39 176.82 1wuy h ALA 272 N 0.00 0.69 -0.01 1.96 0.00 -1.69 -3.32 119.26 116.89 1wuy h ALA 272 Ca 0.00 -1.04 0.00 0.00 0.00 0.00 0.00 54.91 53.87 1wuy h ALA 272 Cb 0.00 0.33 0.00 0.00 0.00 0.00 0.00 17.79 18.12 1wuy h ALA 272 CO 0.00 1.13 -0.09 0.39 0.00 0.00 0.00 179.25 180.68 1wuy n GLU 273 N -2.95 1.15 0.05 0.00 1.02 -1.14 -3.49 120.64 115.28 1wuy n GLU 273 Ca -0.11 -0.56 0.12 0.00 -0.02 0.00 0.00 57.16 56.59 1wuy n GLU 273 Cb 0.91 -1.49 0.49 0.00 -0.02 0.00 0.00 31.44 31.33 1wuy n GLU 273 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 1wuy n ASN 274 N -0.44 0.32 -0.03 1.62 3.02 -1.25 -3.48 115.26 115.02 1wuy n ASN 274 Ca 0.17 0.54 0.01 0.00 -0.03 0.00 0.00 54.58 55.27 1wuy n ASN 274 Cb 0.30 -0.63 0.31 0.00 -0.61 0.00 0.00 39.78 39.16 1wuy n ASN 274 CO 0.00 0.00 0.00 0.40 -2.62 0.00 0.00 177.26 175.04 1wuy h ILE 275 N 0.00 1.18 -0.29 2.41 2.04 -1.80 -2.79 117.51 118.26 1wuy h ILE 275 Ca 0.00 -0.61 -0.04 0.00 1.00 0.00 0.00 64.86 65.20 1wuy h ILE 275 Cb 0.52 0.75 -0.03 0.00 -0.74 0.00 0.00 36.82 37.32 1wuy h ILE 275 CO 0.00 0.23 0.00 -1.54 0.00 0.00 0.00 178.15 176.84 1wuy n SER 276 N -4.34 3.62 -0.03 1.72 3.41 -1.23 -4.68 113.62 112.10 1wuy n SER 276 Ca 0.03 -3.17 -0.14 0.00 -0.26 0.00 0.00 58.87 55.32 1wuy n SER 276 Cb 0.18 -0.57 -0.10 0.00 -0.26 0.00 0.00 64.21 63.47 1wuy n SER 276 CO 0.00 0.00 0.00 -0.09 -0.16 0.00 0.00 175.04 174.79 1wuy h ARG 277 N 1.63 0.22 -3.54 4.33 9.65 -1.61 -2.83 114.38 122.23 1wuy h ARG 277 Ca 0.05 -0.17 -0.16 0.00 -1.10 0.00 0.00 59.98 58.60 1wuy h ARG 277 Cb 1.52 0.03 -0.22 0.00 -1.39 0.00 0.00 29.97 29.91 1wuy h ARG 277 CO 0.27 0.81 -0.53 0.54 2.80 0.00 0.00 179.97 183.86 1wuy s VAL 278 N -3.67 0.06 0.27 0.20 0.11 -1.26 -1.46 120.40 114.65 1wuy s VAL 278 Ca -0.15 -0.53 -0.28 0.00 -2.93 0.00 0.00 61.98 58.09 1wuy s VAL 278 Cb 0.02 -0.35 -0.09 0.00 -1.53 0.00 0.00 36.38 34.43 1wuy s VAL 278 CO 0.74 -0.29 0.95 -0.22 -3.33 0.00 0.00 175.10 172.95 1wuy s LEU 279 N -0.99 4.52 -0.11 2.54 2.96 -0.76 -5.00 118.68 121.84 1wuy s LEU 279 Ca -0.11 1.92 -0.30 0.00 -0.22 0.00 0.00 54.13 55.43 1wuy s LEU 279 Cb -0.06 -3.77 -0.02 0.00 0.50 0.00 0.00 46.19 42.84 1wuy s LEU 279 CO 0.01 0.05 1.13 -0.31 -1.32 0.00 0.00 176.35 175.91 1wuy s TYR 280 N -1.35 3.26 -0.02 5.38 1.51 -1.26 -4.88 117.35 120.00 1wuy s TYR 280 Ca 0.45 1.34 0.00 0.00 -1.01 0.00 0.00 57.07 57.85 1wuy s TYR 280 Cb -0.23 -3.34 0.02 0.00 -0.11 0.00 0.00 41.96 38.30 1wuy s TYR 280 CO 0.29 -0.92 1.18 -0.35 -1.11 0.00 0.00 175.55 174.64 1wuy n PRO 281 N 5.50 1.05 -3.45 -1.71 -0.04 -1.26 -4.88 135.00 130.21 1wuy n PRO 281 Ca 0.11 -0.11 -0.38 0.00 -0.04 0.00 0.00 63.50 63.08 1wuy n PRO 281 Cb 0.47 -1.04 -0.09 0.00 -0.04 0.00 0.00 33.50 32.80 1wuy n PRO 281 CO 0.00 0.00 0.00 -0.80 -0.04 0.00 0.00 175.50 174.66 1wuy s ASN 282 N 1.07 6.29 -0.24 3.54 0.01 -1.26 -4.40 114.94 119.94 1wuy s ASN 282 Ca 0.02 0.33 -0.07 0.00 -0.71 0.00 0.00 52.86 52.43 1wuy s ASN 282 Cb 0.02 -2.19 -0.02 0.00 0.41 0.00 0.00 41.25 39.46 1wuy s ASN 282 CO 0.00 -0.09 0.04 -0.62 -1.51 0.00 0.00 177.10 174.93 1wuy s ASP 283 N 1.29 4.97 -1.36 -1.22 2.15 -1.26 -4.57 116.67 116.67 1wuy s ASP 283 Ca 0.15 -0.23 -0.03 0.00 0.43 0.00 0.00 52.55 52.86 1wuy s ASP 283 Cb -0.15 -1.88 0.02 0.00 -0.30 0.00 0.00 42.92 40.61 1wuy s ASP 283 CO 0.08 -0.02 0.79 0.59 -0.17 0.00 0.00 175.17 176.44 1wuy n ASN 284 N 4.83 -2.18 -3.66 -0.34 3.02 -1.26 -4.99 115.26 110.68 1wuy n ASN 284 Ca -0.17 -0.80 -0.12 0.00 -0.03 0.00 0.00 54.58 53.47 1wuy n ASN 284 Cb 0.51 -4.08 -0.08 0.00 -0.61 0.00 0.00 39.78 35.52 1wuy n ASN 284 CO 0.00 0.00 0.00 0.12 -2.62 0.00 0.00 177.26 174.76 1wuy s PHE 285 N -3.57 -0.75 -0.19 3.10 5.36 -1.26 -4.31 117.98 116.36 1wuy s PHE 285 Ca 0.17 1.71 -0.07 0.00 -0.96 0.00 0.00 56.93 57.78 1wuy s PHE 285 Cb -0.08 0.32 -0.04 0.00 -0.34 0.00 0.00 43.02 42.88 1wuy s PHE 285 CO 0.81 -0.37 0.06 0.12 -1.46 0.00 0.00 175.22 174.39 1wuy s PHE 286 N 0.72 3.22 -0.23 10.12 2.19 0.52 -4.87 117.98 129.66 1wuy s PHE 286 Ca -0.03 0.01 0.02 0.00 0.33 0.00 0.00 56.93 57.26 1wuy s PHE 286 Cb -0.05 -2.10 0.05 0.00 -1.31 0.00 0.00 43.02 39.61 1wuy s PHE 286 CO -0.05 0.08 -0.10 -2.00 1.83 0.00 0.00 175.22 174.98 1wuy s GLU 287 N 0.55 2.11 -1.51 10.12 2.12 -1.26 -4.97 118.70 125.86 1wuy s GLU 287 Ca 0.03 -1.09 -0.11 0.00 0.36 0.00 0.00 54.97 54.16 1wuy s GLU 287 Cb -0.13 -2.67 0.00 0.00 0.26 0.00 0.00 34.13 31.60 1wuy s GLU 287 CO 0.01 -0.51 2.52 0.41 -0.54 0.00 0.00 175.26 177.15 1wuy n GLY 288 N 4.57 4.44 3.89 -1.50 0.00 -1.26 -4.93 105.19 110.40 1wuy n GLY 288 Ca -0.14 -1.63 -0.33 0.00 0.00 0.00 0.00 46.02 43.92 1wuy n GLY 288 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1wuy s LYS 289 N 2.23 3.60 0.26 1.61 -0.14 -1.26 -5.01 119.74 121.03 1wuy s LYS 289 Ca 0.56 -0.09 -0.05 0.00 -1.36 0.00 0.00 55.97 55.04 1wuy s LYS 289 Cb 0.16 -2.99 0.31 0.00 -1.68 0.00 0.00 37.83 33.63 1wuy s LYS 289 CO -0.07 0.57 1.88 1.49 -0.76 0.00 0.00 175.35 178.46 1wuy h GLU 290 N 3.45 1.14 -0.75 1.68 4.81 -2.00 -2.39 114.58 120.53 1wuy h GLU 290 Ca -0.48 -0.13 0.06 0.00 -0.13 0.00 0.00 59.36 58.68 1wuy h GLU 290 Cb 1.18 -0.23 -0.05 0.00 0.63 0.00 0.00 28.75 30.29 1wuy h GLU 290 CO 0.69 0.84 0.49 1.25 -0.73 0.00 0.00 179.01 181.55 1wuy h LEU 291 N 1.15 0.72 -0.20 1.64 5.85 -1.98 -0.91 115.31 121.57 1wuy h LEU 291 Ca 0.29 0.00 -0.03 0.00 0.84 0.00 0.00 57.88 58.98 1wuy h LEU 291 Cb 0.03 -0.15 -0.01 0.00 0.37 0.00 0.00 40.66 40.90 1wuy h LEU 291 CO -0.05 0.47 0.01 -0.09 -0.34 0.00 0.00 178.44 178.44 1wuy h ARG 292 N 0.82 0.35 -0.90 1.25 1.12 -1.79 -2.01 114.38 113.23 1wuy h ARG 292 Ca 0.32 -0.11 0.02 0.00 -1.11 0.00 0.00 59.98 59.09 1wuy h ARG 292 Cb 0.20 -0.03 -0.05 0.00 -0.01 0.00 0.00 29.97 30.08 1wuy h ARG 292 CO -0.10 0.54 0.59 1.25 -3.11 0.00 0.00 179.97 179.14 1wuy h LEU 293 N 0.12 1.02 -0.68 3.80 5.85 -1.13 -1.61 115.31 122.68 1wuy h LEU 293 Ca 0.06 -0.02 -0.00 0.00 0.84 0.00 0.00 57.88 58.75 1wuy h LEU 293 Cb 0.38 -0.25 -0.03 0.00 0.37 0.00 0.00 40.66 41.13 1wuy h LEU 293 CO 0.01 0.73 0.42 0.11 -0.34 0.00 0.00 178.44 179.36 1wuy h LYS 294 N 1.20 0.92 -0.69 1.25 1.57 -1.04 -0.92 116.57 118.87 1wuy h LYS 294 Ca 0.34 -0.08 -0.04 0.00 -1.87 0.00 0.00 60.65 59.00 1wuy h LYS 294 Cb -0.11 -0.19 -0.03 0.00 0.08 0.00 0.00 32.23 31.98 1wuy h LYS 294 CO -0.08 0.65 0.28 1.96 -0.57 0.00 0.00 179.45 181.69 1wuy h GLN 295 N 0.93 1.03 -0.50 3.15 4.20 -0.95 0.77 115.11 123.73 1wuy h GLN 295 Ca 0.24 -0.18 -0.03 0.00 0.06 0.00 0.00 58.65 58.75 1wuy h GLN 295 Cb -0.04 -0.17 -0.02 0.00 0.30 0.00 0.00 27.48 27.55 1wuy h GLN 295 CO -0.05 0.84 0.21 0.93 -0.67 0.00 0.00 178.83 180.10 1wuy h GLU 296 N 0.98 0.74 -0.23 1.46 5.08 -0.68 -1.91 114.58 120.01 1wuy h GLU 296 Ca 0.23 -0.13 -0.17 0.00 -1.00 0.00 0.00 59.36 58.29 1wuy h GLU 296 Cb 0.20 -0.12 0.00 0.00 0.50 0.00 0.00 28.75 29.33 1wuy h GLU 296 CO -0.02 0.65 -0.53 -0.92 -1.00 0.00 0.00 179.01 177.19 1wuy h TYR 297 N 0.66 0.97 -0.33 4.33 3.20 -1.03 -2.90 116.97 121.88 1wuy h TYR 297 Ca 0.17 -0.37 0.07 0.00 3.14 0.00 0.00 58.73 61.74 1wuy h TYR 297 Cb 0.18 -0.18 -0.07 0.00 1.54 0.00 0.00 36.73 38.20 1wuy h TYR 297 CO 0.00 1.17 -0.13 0.35 -1.64 0.00 0.00 178.16 177.91 1wuy h PHE 298 N 0.50 -0.32 -0.18 -3.82 3.57 -0.70 0.38 116.94 116.37 1wuy h PHE 298 Ca -0.00 0.03 -0.11 0.00 3.53 0.00 0.00 57.97 61.42 1wuy h PHE 298 Cb 1.14 0.19 -0.01 0.00 2.79 0.00 0.00 35.95 40.06 1wuy h PHE 298 CO 0.08 -0.21 -0.37 -0.24 -2.23 0.00 0.00 178.31 175.35 1wuy h VAL 299 N -0.08 1.29 -0.06 1.41 3.04 -1.41 -2.73 116.25 117.71 1wuy h VAL 299 Ca 0.16 -1.46 -0.03 0.00 -1.01 0.00 0.00 66.70 64.36 1wuy h VAL 299 Cb 0.33 1.56 -0.00 0.00 -2.01 0.00 0.00 31.29 31.17 1wuy h VAL 299 CO -0.38 0.45 -0.09 0.58 -1.01 0.00 0.00 177.57 177.12 1wuy h VAL 300 N 0.33 1.40 -0.41 1.51 2.07 -1.15 -2.46 116.25 117.54 1wuy h VAL 300 Ca 0.04 -1.33 -0.03 0.00 0.82 0.00 0.00 66.70 66.20 1wuy h VAL 300 Cb 0.80 2.14 -0.02 0.00 -1.52 0.00 0.00 31.29 32.69 1wuy h VAL 300 CO 0.06 0.37 0.15 0.00 0.02 0.00 0.00 177.57 178.17 1wuy h ALA 301 N 0.51 0.53 -0.27 1.67 0.00 -0.31 -1.94 119.26 119.45 1wuy h ALA 301 Ca 0.01 -0.15 -0.08 0.00 0.00 0.00 0.00 54.91 54.68 1wuy h ALA 301 Cb 0.64 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.26 1wuy h ALA 301 CO 0.02 0.14 -0.16 0.00 0.00 0.00 0.00 179.25 179.25 1wuy h ALA 302 N 1.00 0.39 -0.72 0.00 0.00 -1.58 -2.91 119.26 115.43 1wuy h ALA 302 Ca 0.13 -0.33 -0.01 0.00 0.00 0.00 0.00 54.91 54.71 1wuy h ALA 302 Cb 0.21 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 17.87 1wuy h ALA 302 CO -0.01 0.29 0.43 1.15 0.00 0.00 0.00 179.25 181.11 1wuy h THR 303 N 0.32 1.21 -0.59 0.00 2.02 -1.42 -2.23 112.91 112.23 1wuy h THR 303 Ca 0.06 -0.46 -0.10 0.00 0.77 0.00 0.00 66.41 66.68 1wuy h THR 303 Cb 0.69 0.22 -0.02 0.00 -1.74 0.00 0.00 68.15 67.29 1wuy h THR 303 CO 0.05 0.22 -0.01 -0.07 0.37 0.00 0.00 175.52 176.07 1wuy h LEU 304 N 0.98 1.03 -0.93 2.58 3.38 -1.38 0.74 115.31 121.71 1wuy h LEU 304 Ca 0.26 -0.31 -0.02 0.00 0.09 0.00 0.00 57.88 57.89 1wuy h LEU 304 Cb -0.02 -0.28 -0.04 0.00 0.09 0.00 0.00 40.66 40.41 1wuy h LEU 304 CO -0.05 1.09 0.46 1.56 0.09 0.00 0.00 178.44 181.60 1wuy h GLN 305 N 0.94 1.22 -0.46 1.13 4.20 -1.34 -0.10 115.11 120.70 1wuy h GLN 305 Ca 0.17 -0.15 -0.13 0.00 0.06 0.00 0.00 58.65 58.60 1wuy h GLN 305 Cb 0.57 -0.23 -0.01 0.00 0.30 0.00 0.00 27.48 28.11 1wuy h GLN 305 CO 0.03 0.90 -0.21 0.22 -0.67 0.00 0.00 178.83 179.10 1wuy h ASP 306 N 1.22 0.96 -0.22 1.46 -0.00 -1.06 -1.51 116.42 117.26 1wuy h ASP 306 Ca 0.30 -0.36 -0.02 0.00 -0.00 0.00 0.00 57.03 56.95 1wuy h ASP 306 Cb 0.05 -0.26 -0.01 0.00 -0.00 0.00 0.00 39.33 39.11 1wuy h ASP 306 CO -0.05 1.13 0.05 0.40 -0.00 0.00 0.00 179.24 180.77 1wuy h ILE 307 N 0.81 1.22 -0.18 2.25 2.04 -0.27 -2.49 117.51 120.89 1wuy h ILE 307 Ca 0.11 -0.70 -0.11 0.00 1.00 0.00 0.00 64.86 65.15 1wuy h ILE 307 Cb 0.77 1.25 -0.01 0.00 -0.74 0.00 0.00 36.82 38.09 1wuy h ILE 307 CO 0.06 0.22 -0.38 0.40 0.00 0.00 0.00 178.15 178.46 1wuy h ILE 308 N 0.18 1.30 -0.71 -0.67 2.04 -0.99 -1.96 117.51 116.69 1wuy h ILE 308 Ca 0.07 -1.49 -0.05 0.00 1.00 0.00 0.00 64.86 64.38 1wuy h ILE 308 Cb 0.29 1.57 -0.03 0.00 -0.74 0.00 0.00 36.82 37.92 1wuy h ILE 308 CO 0.00 0.46 0.23 -0.09 0.00 0.00 0.00 178.15 178.76 1wuy h ARG 309 N 0.34 1.10 -0.43 2.37 2.43 -1.23 0.15 114.38 119.10 1wuy h ARG 309 Ca 0.03 -0.23 -0.04 0.00 -0.81 0.00 0.00 59.98 58.93 1wuy h ARG 309 Cb 0.82 -0.16 -0.02 0.00 -0.42 0.00 0.00 29.97 30.19 1wuy h ARG 309 CO 0.07 0.94 0.11 -0.09 -1.51 0.00 0.00 179.97 179.48 1wuy h ARG 310 N 1.04 0.70 -0.36 0.20 2.43 -1.23 -3.06 114.38 114.10 1wuy h ARG 310 Ca 0.23 -0.17 -0.02 0.00 -0.81 0.00 0.00 59.98 59.21 1wuy h ARG 310 Cb 0.29 -0.09 -0.02 0.00 -0.42 0.00 0.00 29.97 29.73 1wuy h ARG 310 CO -0.01 0.70 0.14 0.35 -1.51 0.00 0.00 179.97 179.65 1wuy h PHE 311 N 0.57 0.54 -0.05 2.20 3.57 -0.97 -2.07 116.94 120.74 1wuy h PHE 311 Ca 0.14 -0.04 0.01 0.00 3.53 0.00 0.00 57.97 61.61 1wuy h PHE 311 Cb 0.32 -0.16 -0.00 0.00 2.79 0.00 0.00 35.95 38.89 1wuy h PHE 311 CO 0.02 0.50 0.22 0.87 -2.23 0.00 0.00 178.31 177.69 1wuy h LYS 312 N 0.43 0.00 0.00 1.11 1.57 -0.63 -2.92 116.57 116.12 1wuy h LYS 312 Ca 0.12 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.90 1wuy h LYS 312 Cb 0.18 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.49 1wuy h LYS 312 CO -0.01 0.00 0.00 0.43 -0.57 0.00 0.00 179.45 179.30 1wuy n SER 313 N -3.12 0.00 0.00 0.86 7.64 -0.89 -5.10 113.62 113.00 1wuy n SER 313 Ca -0.01 0.30 0.00 0.00 1.01 0.00 0.00 58.87 60.17 1wuy n SER 313 Cb 0.30 -0.50 0.00 0.00 -1.01 0.00 0.00 64.21 63.00 1wuy n SER 313 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 1wuy n SER 314 N -2.19 0.00 -3.72 6.43 7.64 -0.83 -5.13 113.62 115.82 1wuy n SER 314 Ca 0.00 0.00 -0.28 0.00 1.01 0.00 0.00 58.87 59.60 1wuy n SER 314 Cb 0.00 0.00 -0.11 0.00 -1.01 0.00 0.00 64.21 63.09 1wuy n SER 314 CO 0.00 0.00 0.00 -0.89 -3.01 0.00 0.00 175.04 171.14 1wuy s THR 324 N 0.00 1.96 -0.42 0.44 2.01 -1.26 -5.06 115.64 113.32 1wuy s THR 324 Ca 0.00 -3.65 -0.22 0.00 0.31 0.00 0.00 61.69 58.13 1wuy s THR 324 Cb 0.00 -2.31 0.02 0.00 0.01 0.00 0.00 72.50 70.22 1wuy s THR 324 CO 0.00 -1.08 0.73 0.20 -0.69 0.00 0.00 174.62 173.79 1wuy s ASN 325 N -0.86 6.42 0.00 3.53 0.02 -1.26 -4.88 114.94 117.92 1wuy s ASN 325 Ca 0.27 -0.03 0.06 0.00 -1.02 0.00 0.00 52.86 52.15 1wuy s ASN 325 Cb -0.03 -2.37 0.37 0.00 0.02 0.00 0.00 41.25 39.25 1wuy s ASN 325 CO -0.17 -0.81 1.24 0.49 0.02 0.00 0.00 177.10 177.87 1wuy n PHE 326 N 6.47 0.01 0.07 2.20 3.72 -1.26 -3.51 117.46 125.16 1wuy n PHE 326 Ca 0.01 -0.00 0.03 0.00 -0.05 0.00 0.00 57.45 57.44 1wuy n PHE 326 Cb 0.48 0.00 0.42 0.00 -0.94 0.00 0.00 39.48 39.44 1wuy n PHE 326 CO 0.00 0.00 0.00 -0.44 -0.05 0.00 0.00 176.76 176.27 1wuy h ASP 327 N 0.05 0.35 -0.06 4.37 5.19 -1.97 -0.72 116.42 123.62 1wuy h ASP 327 Ca 0.00 -0.04 0.00 0.00 -0.62 0.00 0.00 57.03 56.37 1wuy h ASP 327 Cb 0.01 -0.09 0.00 0.00 0.18 0.00 0.00 39.33 39.43 1wuy h ASP 327 CO 0.00 0.36 0.00 0.00 -3.12 0.00 0.00 179.24 176.48 1wuy n ALA 328 N -2.49 2.56 0.02 3.45 0.00 -1.23 -4.36 120.51 118.46 1wuy n ALA 328 Ca 0.01 -0.45 -0.10 0.00 0.00 0.00 0.00 53.44 52.90 1wuy n ALA 328 Cb 0.16 -1.16 -0.03 0.00 0.00 0.00 0.00 19.45 18.42 1wuy n ALA 328 CO 0.00 0.00 0.00 0.35 0.00 0.00 0.00 177.50 177.85 1wuy h PHE 329 N 2.14 -0.61 0.00 0.00 3.04 -1.35 -1.55 116.94 118.61 1wuy h PHE 329 Ca 0.00 0.03 0.00 0.00 3.98 0.00 0.00 57.97 61.98 1wuy h PHE 329 Cb 0.46 0.28 0.00 0.00 2.56 0.00 0.00 35.95 39.25 1wuy h PHE 329 CO 0.03 -0.31 0.00 -1.35 -2.02 0.00 0.00 178.31 174.66 1wuy h PRO 330 N -0.31 0.00 0.00 6.41 0.11 -1.77 0.14 132.00 136.57 1wuy h PRO 330 Ca 0.09 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.20 1wuy h PRO 330 Cb 0.44 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.55 1wuy h PRO 330 CO -0.27 0.00 -0.11 -0.44 -0.21 0.00 0.00 178.00 176.97 1wuy h ASP 331 N 0.00 0.00 0.00 -2.05 3.32 -1.57 -3.32 116.42 112.81 1wuy h ASP 331 Ca 0.00 -0.02 0.00 0.00 0.02 0.00 0.00 57.03 57.03 1wuy h ASP 331 Cb 0.13 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.68 1wuy h ASP 331 CO 0.00 0.01 -0.08 0.29 -1.72 0.00 0.00 179.24 177.73 1wuy n LYS 332 N -2.62 6.41 -4.21 3.56 4.76 -0.45 -4.58 118.16 121.04 1wuy n LYS 332 Ca 0.04 -0.00 -0.19 0.00 -2.87 0.00 0.00 58.31 55.29 1wuy n LYS 332 Cb 0.48 -0.58 -0.16 0.00 -1.84 0.00 0.00 35.03 32.93 1wuy n LYS 332 CO 0.00 0.00 0.00 0.08 -1.37 0.00 0.00 177.40 176.11 1wuy s VAL 333 N -1.16 0.54 -0.07 -0.18 1.01 0.35 -0.87 120.40 120.02 1wuy s VAL 333 Ca 0.01 -0.18 -0.00 0.00 0.00 0.00 0.00 61.98 61.80 1wuy s VAL 333 Cb 0.01 -0.53 0.02 0.00 0.00 0.00 0.00 36.38 35.88 1wuy s VAL 333 CO 0.07 0.20 -0.04 0.00 0.00 0.00 0.00 175.10 175.33 1wuy s ALA 334 N 0.54 0.86 -0.19 5.51 0.00 -0.49 -4.48 121.76 123.51 1wuy s ALA 334 Ca -0.07 -0.21 0.01 0.00 0.00 0.00 0.00 51.96 51.69 1wuy s ALA 334 Cb -0.11 -0.67 0.02 0.00 0.00 0.00 0.00 23.12 22.36 1wuy s ALA 334 CO 0.00 -0.28 -0.19 0.96 0.00 0.00 0.00 175.76 176.25 1wuy s ILE 335 N 1.52 2.13 -0.21 0.00 -5.25 -0.51 0.37 121.20 119.27 1wuy s ILE 335 Ca -0.01 -0.97 -0.12 0.00 -0.99 0.00 0.00 60.65 58.56 1wuy s ILE 335 Cb -0.13 -1.92 -0.05 0.00 2.95 0.00 0.00 42.46 43.31 1wuy s ILE 335 CO -0.04 0.49 0.23 -1.58 -1.79 0.00 0.00 174.94 172.26 1wuy s GLN 336 N 1.29 4.16 -0.37 0.37 2.00 0.90 -2.62 119.66 125.39 1wuy s GLN 336 Ca 0.04 -0.08 -0.19 0.00 -2.00 0.00 0.00 55.36 53.13 1wuy s GLN 336 Cb -0.14 -3.49 0.00 0.00 0.80 0.00 0.00 33.01 30.19 1wuy s GLN 336 CO -0.12 0.13 0.56 -0.51 -0.50 0.00 0.00 175.29 174.85 1wuy s LEU 337 N 0.85 4.38 -1.04 3.68 1.02 0.31 -1.52 118.68 126.35 1wuy s LEU 337 Ca 0.12 -0.07 -0.20 0.00 0.02 0.00 0.00 54.13 54.00 1wuy s LEU 337 Cb -0.13 -2.65 0.09 0.00 0.02 0.00 0.00 46.19 43.52 1wuy s LEU 337 CO 0.04 -0.56 1.38 0.21 0.02 0.00 0.00 176.35 177.44 1wuy s ASN 338 N 1.81 6.63 0.00 2.29 2.47 -0.68 -1.79 114.94 125.68 1wuy s ASN 338 Ca 0.20 -1.90 0.00 0.00 0.42 0.00 0.00 52.86 51.58 1wuy s ASN 338 Cb -0.15 -2.50 0.00 0.00 -1.45 0.00 0.00 41.25 37.15 1wuy s ASN 338 CO 0.15 -1.26 0.00 -0.67 -3.72 0.00 0.00 177.10 171.60 1wuy n ASP 339 N 7.79 0.00 -0.46 -4.21 4.64 -0.77 -4.36 116.55 119.17 1wuy n ASP 339 Ca 0.32 0.00 0.13 0.00 -1.38 0.00 0.00 54.79 53.87 1wuy n ASP 339 Cb 0.49 0.00 0.43 0.00 -1.04 0.00 0.00 41.12 41.00 1wuy n ASP 339 CO 0.00 0.00 0.00 0.35 -0.82 0.00 0.00 177.20 176.73 1wuy n THR 340 N 0.00 0.00 -0.19 5.18 -2.24 -1.26 -4.38 114.28 111.39 1wuy n THR 340 Ca 0.00 -0.24 -0.00 0.00 -2.27 0.00 0.00 64.05 61.54 1wuy n THR 340 Cb 0.00 0.59 0.10 0.00 -2.10 0.00 0.00 70.33 68.93 1wuy n THR 340 CO 0.00 0.00 0.00 0.45 -0.57 0.00 0.00 175.07 174.95 1wuy h HIS 341 N 2.28 0.29 -0.38 4.78 3.86 -1.97 -1.24 115.15 122.77 1wuy h HIS 341 Ca 0.00 0.03 0.00 0.00 -1.16 0.00 0.00 60.37 59.24 1wuy h HIS 341 Cb 0.56 -0.04 0.00 0.00 1.06 0.00 0.00 27.41 28.99 1wuy h HIS 341 CO 0.00 0.04 0.00 -0.35 0.86 0.00 0.00 177.93 178.48 1wuy n PRO 342 N -5.06 3.16 0.30 2.45 -0.04 -1.26 -4.58 135.00 129.96 1wuy n PRO 342 Ca 0.08 -1.91 0.18 0.00 -0.04 0.00 0.00 63.50 61.81 1wuy n PRO 342 Cb 0.29 -1.85 0.95 0.00 -0.04 0.00 0.00 33.50 32.84 1wuy n PRO 342 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 1wuy h SER 343 N 2.55 0.00 0.15 3.54 4.64 -1.48 -1.70 113.55 121.26 1wuy h SER 343 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1wuy h SER 343 Cb 1.26 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.35 1wuy h SER 343 CO 0.24 0.00 0.00 0.18 -0.87 0.00 0.00 176.83 176.38 1wuy n LEU 344 N -3.21 0.00 0.15 5.97 4.77 -1.26 -2.36 117.00 121.06 1wuy n LEU 344 Ca -0.01 0.13 0.02 0.00 -0.03 0.00 0.00 56.01 56.12 1wuy n LEU 344 Cb 0.28 -0.13 0.36 0.00 -2.33 0.00 0.00 43.42 41.60 1wuy n LEU 344 CO 0.19 -0.05 0.79 0.00 -1.33 0.00 0.00 177.39 176.99 1wuy h ALA 345 N 3.01 1.41 0.69 -1.18 0.00 -1.67 -0.08 119.26 121.45 1wuy h ALA 345 Ca 0.00 -0.29 -0.03 0.00 0.00 0.00 0.00 54.91 54.59 1wuy h ALA 345 Cb 0.08 -0.07 0.01 0.00 0.00 0.00 0.00 17.79 17.80 1wuy h ALA 345 CO 0.00 0.42 -0.33 0.82 0.00 0.00 0.00 179.25 180.16 1wuy h ILE 346 N 0.11 0.01 0.00 0.00 2.04 -1.71 0.14 117.51 118.09 1wuy h ILE 346 Ca 0.02 -0.33 -0.04 0.00 1.00 0.00 0.00 64.86 65.52 1wuy h ILE 346 Cb 0.55 0.01 -0.01 0.00 -0.74 0.00 0.00 36.82 36.63 1wuy h ILE 346 CO 0.04 0.00 -0.17 1.55 0.00 0.00 0.00 178.15 179.57 1wuy h PRO 347 N -1.25 0.00 -0.10 2.37 0.13 -1.74 -2.23 132.00 129.18 1wuy h PRO 347 Ca -0.09 0.00 -0.21 0.00 -0.87 0.00 0.00 66.00 64.82 1wuy h PRO 347 Cb 0.71 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.84 1wuy h PRO 347 CO 0.16 0.17 -0.79 1.49 -0.23 0.00 0.00 178.00 178.79 1wuy h GLU 348 N 0.00 0.59 -0.67 0.86 4.57 -0.99 -0.59 114.58 118.35 1wuy h GLU 348 Ca -0.00 -0.51 -0.07 0.00 -1.18 0.00 0.00 59.36 57.60 1wuy h GLU 348 Cb 0.53 0.11 -0.03 0.00 -0.16 0.00 0.00 28.75 29.20 1wuy h GLU 348 CO 0.02 1.13 0.15 1.25 -1.18 0.00 0.00 179.01 180.38 1wuy h LEU 349 N 0.39 1.02 -0.12 1.64 5.85 -0.34 -2.10 115.31 121.65 1wuy h LEU 349 Ca -0.05 -0.22 -0.01 0.00 0.84 0.00 0.00 57.88 58.44 1wuy h LEU 349 Cb 1.40 -0.27 -0.01 0.00 0.37 0.00 0.00 40.66 42.16 1wuy h LEU 349 CO 0.15 0.99 0.04 0.24 -0.34 0.00 0.00 178.44 179.52 1wuy h MET 350 N 1.02 0.19 -0.46 1.25 2.86 -1.31 -1.81 114.93 116.67 1wuy h MET 350 Ca 0.21 -0.04 0.09 0.00 -2.06 0.00 0.00 59.70 57.90 1wuy h MET 350 Cb 0.38 -0.03 -0.07 0.00 0.06 0.00 0.00 31.60 31.94 1wuy h MET 350 CO 0.00 0.31 -0.00 -0.09 1.06 0.00 0.00 176.91 178.20 1wuy h ARG 351 N 0.02 0.11 0.19 1.72 2.43 -0.82 0.31 114.38 118.34 1wuy h ARG 351 Ca 0.04 -0.01 -0.01 0.00 -0.81 0.00 0.00 59.98 59.19 1wuy h ARG 351 Cb 0.20 -0.02 0.00 0.00 -0.42 0.00 0.00 29.97 29.73 1wuy h ARG 351 CO -0.00 0.07 -0.09 0.28 -1.51 0.00 0.00 179.97 178.72 1wuy h VAL 352 N 0.11 0.89 -0.46 0.20 2.07 -1.32 0.22 116.25 117.96 1wuy h VAL 352 Ca 0.23 -0.38 0.03 0.00 0.82 0.00 0.00 66.70 67.39 1wuy h VAL 352 Cb 0.33 1.12 -0.03 0.00 -1.52 0.00 0.00 31.29 31.19 1wuy h VAL 352 CO -0.38 0.09 0.26 -0.07 0.02 0.00 0.00 177.57 177.49 1wuy h LEU 353 N -0.44 0.41 0.00 2.57 3.38 -0.86 0.81 115.31 121.18 1wuy h LEU 353 Ca -0.03 0.01 -0.02 0.00 0.09 0.00 0.00 57.88 57.93 1wuy h LEU 353 Cb 0.34 -0.07 -0.00 0.00 0.09 0.00 0.00 40.66 41.01 1wuy h LEU 353 CO 0.04 0.29 -0.15 0.58 0.09 0.00 0.00 178.44 179.29 1wuy h VAL 354 N 0.52 1.08 -0.03 1.22 2.07 -0.43 0.00 116.25 120.68 1wuy h VAL 354 Ca 0.19 -1.86 -0.01 0.00 0.82 0.00 0.00 66.70 65.84 1wuy h VAL 354 Cb 0.05 2.10 -0.00 0.00 -1.52 0.00 0.00 31.29 31.91 1wuy h VAL 354 CO -0.10 0.37 -0.03 0.44 0.02 0.00 0.00 177.57 178.27 1wuy h ASP 355 N -1.00 0.07 0.01 0.57 3.45 -0.65 -2.83 116.42 116.04 1wuy h ASP 355 Ca -0.04 -0.49 -0.20 0.00 0.43 0.00 0.00 57.03 56.74 1wuy h ASP 355 Cb 0.71 -0.02 -0.03 0.00 -0.56 0.00 0.00 39.33 39.43 1wuy h ASP 355 CO -0.02 0.54 -1.09 -0.07 -1.57 0.00 0.00 179.24 177.03 1wuy h LEU 356 N -0.40 0.04 0.00 1.55 3.38 -1.08 -3.38 115.31 115.41 1wuy h LEU 356 Ca 0.00 -0.62 0.00 0.00 0.09 0.00 0.00 57.88 57.35 1wuy h LEU 356 Cb 0.52 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 41.26 1wuy h LEU 356 CO 0.01 1.43 -0.19 -0.62 0.09 0.00 0.00 178.44 179.16 1wuy n GLU 357 N -4.40 0.14 -3.44 1.13 -0.58 0.12 -4.97 120.64 108.64 1wuy n GLU 357 Ca -0.28 0.09 -0.21 0.00 -0.42 0.00 0.00 57.16 56.34 1wuy n GLU 357 Cb 0.67 -1.63 0.07 0.00 -0.57 0.00 0.00 31.44 29.98 1wuy n GLU 357 CO 0.00 0.00 0.00 0.54 -0.48 0.00 0.00 177.13 177.19 1wuy n ARG 358 N -1.86 -6.89 -3.14 3.49 1.74 -0.50 -4.95 116.66 104.56 1wuy n ARG 358 Ca 0.06 0.72 -0.32 0.00 -0.77 0.00 0.00 57.85 57.54 1wuy n ARG 358 Cb 0.39 -5.43 -0.05 0.00 -1.02 0.00 0.00 32.46 26.34 1wuy n ARG 358 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 1wuy s LEU 359 N -6.44 4.03 0.61 0.55 1.02 -0.13 -4.98 118.68 113.33 1wuy s LEU 359 Ca 0.49 1.15 -0.17 0.00 0.02 0.00 0.00 54.13 55.62 1wuy s LEU 359 Cb -0.22 -3.96 -0.03 0.00 0.02 0.00 0.00 46.19 42.00 1wuy s LEU 359 CO 0.63 -0.22 1.11 1.51 0.02 0.00 0.00 176.35 179.40 1wuy s ASP 360 N -2.53 5.41 0.13 2.29 -4.77 -1.26 -4.41 116.67 111.53 1wuy s ASP 360 Ca 0.52 2.05 -0.32 0.00 -3.30 0.00 0.00 52.55 51.50 1wuy s ASP 360 Cb -0.10 -2.56 -0.10 0.00 -1.09 0.00 0.00 42.92 39.06 1wuy s ASP 360 CO 0.22 -1.43 1.53 -0.25 0.70 0.00 0.00 175.17 175.94 1wuy h TRP 361 N 0.52 -1.69 -1.00 2.11 2.91 -1.97 -1.23 115.95 115.60 1wuy h TRP 361 Ca -0.48 0.09 0.13 0.00 1.13 0.00 0.00 58.89 59.76 1wuy h TRP 361 Cb 1.25 0.80 -0.09 0.00 -0.51 0.00 0.00 29.16 30.61 1wuy h TRP 361 CO 0.54 -0.46 0.63 -0.44 -1.03 0.00 0.00 178.44 177.67 1wuy h ASP 362 N -0.34 0.90 -0.14 2.65 3.45 -1.99 0.25 116.42 121.21 1wuy h ASP 362 Ca 0.08 0.06 -0.16 0.00 0.43 0.00 0.00 57.03 57.44 1wuy h ASP 362 Cb 0.56 -0.12 -0.00 0.00 -0.56 0.00 0.00 39.33 39.20 1wuy h ASP 362 CO -0.62 0.45 -0.50 0.50 -1.57 0.00 0.00 179.24 177.49 1wuy h LYS 363 N 0.95 0.71 -0.44 3.56 3.11 -1.83 -2.20 116.57 120.43 1wuy h LYS 363 Ca 0.51 -0.42 -0.08 0.00 -2.81 0.00 0.00 60.65 57.85 1wuy h LYS 363 Cb 0.58 0.04 -0.01 0.00 -1.00 0.00 0.00 32.23 31.83 1wuy h LYS 363 CO -0.29 1.04 -0.04 0.00 -2.81 0.00 0.00 179.45 177.36 1wuy h ALA 364 N 0.88 0.59 -0.60 5.00 0.00 -0.02 -2.20 119.26 122.92 1wuy h ALA 364 Ca 0.02 -0.29 -0.07 0.00 0.00 0.00 0.00 54.91 54.57 1wuy h ALA 364 Cb 1.07 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.67 1wuy h ALA 364 CO 0.10 0.42 0.09 2.35 0.00 0.00 0.00 179.25 182.21 1wuy h TRP 365 N 0.63 1.06 -0.13 0.00 2.91 -0.53 -0.53 115.95 119.36 1wuy h TRP 365 Ca 0.12 -0.15 0.02 0.00 1.13 0.00 0.00 58.89 60.01 1wuy h TRP 365 Cb 0.55 -0.29 -0.02 0.00 -0.51 0.00 0.00 29.16 28.89 1wuy h TRP 365 CO 0.04 0.92 0.02 1.49 -1.03 0.00 0.00 178.44 179.88 1wuy h GLU 366 N 0.90 0.08 -0.32 2.65 4.81 -1.30 -0.34 114.58 121.06 1wuy h GLU 366 Ca 0.18 -0.00 -0.00 0.00 -0.13 0.00 0.00 59.36 59.41 1wuy h GLU 366 Cb 0.43 -0.02 -0.02 0.00 0.63 0.00 0.00 28.75 29.78 1wuy h GLU 366 CO 0.01 0.05 0.19 0.28 -0.73 0.00 0.00 179.01 178.82 1wuy h VAL 367 N 0.08 1.11 0.02 0.32 2.07 -1.17 -2.32 116.25 116.35 1wuy h VAL 367 Ca 0.06 -0.24 0.01 0.00 0.82 0.00 0.00 66.70 67.34 1wuy h VAL 367 Cb 0.05 0.70 -0.01 0.00 -1.52 0.00 0.00 31.29 30.51 1wuy h VAL 367 CO -0.08 0.10 -0.05 0.74 0.02 0.00 0.00 177.57 178.30 1wuy h THR 368 N 0.41 0.86 -0.91 2.57 2.02 -0.75 -2.35 112.91 114.77 1wuy h THR 368 Ca 0.11 0.00 0.01 0.00 0.77 0.00 0.00 66.41 67.30 1wuy h THR 368 Cb 0.00 0.86 -0.04 0.00 -1.74 0.00 0.00 68.15 67.23 1wuy h THR 368 CO -0.02 0.00 0.59 0.58 0.37 0.00 0.00 175.52 177.04 1wuy h VAL 369 N -0.11 1.24 0.00 3.16 2.07 -1.02 -1.96 116.25 119.63 1wuy h VAL 369 Ca 0.02 -0.45 0.00 0.00 0.82 0.00 0.00 66.70 67.09 1wuy h VAL 369 Cb 0.12 -0.09 0.00 0.00 -1.52 0.00 0.00 31.29 29.80 1wuy h VAL 369 CO -0.04 0.23 0.00 0.11 0.02 0.00 0.00 177.57 177.89 1wuy h LYS 370 N 1.24 0.00 0.00 1.57 1.57 -1.19 -2.15 116.57 117.61 1wuy h LYS 370 Ca 0.33 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.11 1wuy h LYS 370 Cb -0.13 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.18 1wuy h LYS 370 CO -0.07 0.00 -1.53 -2.37 -0.57 0.00 0.00 179.45 174.91 1wuy n THR 371 N -2.97 0.00 -3.82 -0.16 5.66 -0.91 -4.89 114.28 107.19 1wuy n THR 371 Ca 0.01 -0.31 -0.36 0.00 -3.05 0.00 0.00 64.05 60.34 1wuy n THR 371 Cb 0.33 0.37 -0.06 0.00 -1.55 0.00 0.00 70.33 69.42 1wuy n THR 371 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1wuy s ALA 373 N -1.13 -0.09 -0.06 0.00 0.00 -1.08 -1.29 121.76 118.12 1wuy s ALA 373 Ca 0.20 0.21 0.04 0.00 0.00 0.00 0.00 51.96 52.40 1wuy s ALA 373 Cb -0.13 -0.14 -0.02 0.00 0.00 0.00 0.00 23.12 22.83 1wuy s ALA 373 CO 0.09 -0.05 -0.16 -0.47 0.00 0.00 0.00 175.76 175.18 1wuy s TYR 374 N 0.31 2.67 -0.20 0.00 6.04 -0.19 -0.53 117.35 125.45 1wuy s TYR 374 Ca -0.02 -0.29 -0.02 0.00 0.04 0.00 0.00 57.07 56.78 1wuy s TYR 374 Cb -0.03 -1.65 -0.00 0.00 -1.04 0.00 0.00 41.96 39.24 1wuy s TYR 374 CO -0.01 0.08 -0.10 0.99 -1.54 0.00 0.00 175.55 174.97 1wuy s THR 375 N -0.52 2.94 0.04 4.34 2.01 -0.74 -1.76 115.64 121.96 1wuy s THR 375 Ca 0.07 -0.65 -0.18 0.00 0.31 0.00 0.00 61.69 61.25 1wuy s THR 375 Cb -0.12 -2.30 -0.06 0.00 0.01 0.00 0.00 72.50 70.03 1wuy s THR 375 CO 0.01 0.47 0.52 0.21 -0.69 0.00 0.00 174.62 175.14 1wuy s ASN 376 N 1.29 6.97 0.00 3.53 3.84 -0.72 -1.85 114.94 128.00 1wuy s ASN 376 Ca 0.03 1.16 0.01 0.00 0.21 0.00 0.00 52.86 54.27 1wuy s ASN 376 Cb -0.14 -2.32 -0.00 0.00 -0.55 0.00 0.00 41.25 38.23 1wuy s ASN 376 CO -0.05 0.28 0.22 1.41 -2.79 0.00 0.00 177.10 176.18 1wuy n HIS 377 N 1.81 0.00 -3.50 0.43 8.25 -1.26 -4.15 115.22 116.80 1wuy n HIS 377 Ca -0.11 0.00 -0.10 0.00 -0.26 0.00 0.00 57.72 57.25 1wuy n HIS 377 Cb 0.51 0.00 -0.02 0.00 1.12 0.00 0.00 29.99 31.60 1wuy n HIS 377 CO 0.00 0.00 0.00 -0.08 0.64 0.00 0.00 176.34 176.90 1wuy s THR 378 N -0.75 0.00 -0.23 1.59 -1.32 -1.26 -4.54 115.64 109.14 1wuy s THR 378 Ca 0.01 -0.09 0.02 0.00 -1.21 0.00 0.00 61.69 60.42 1wuy s THR 378 Cb 0.01 -1.11 0.00 0.00 -1.51 0.00 0.00 72.50 69.89 1wuy s THR 378 CO 0.04 0.00 0.37 1.33 -2.21 0.00 0.00 174.62 174.14 1wuy n VAL 379 N -0.33 0.00 -2.30 5.08 0.24 -1.26 -5.01 118.33 114.75 1wuy n VAL 379 Ca -0.12 -0.48 -0.41 0.00 -2.04 0.00 0.00 64.34 61.29 1wuy n VAL 379 Cb 0.63 1.03 -0.03 0.00 -1.47 0.00 0.00 33.84 34.00 1wuy n VAL 379 CO 0.00 0.00 0.00 0.27 -2.14 0.00 0.00 176.83 174.96 1wuy s ILE 380 N -0.66 3.45 0.26 1.34 -4.36 -1.26 -4.92 121.20 115.04 1wuy s ILE 380 Ca 0.02 1.18 -0.03 0.00 -0.26 0.00 0.00 60.65 61.55 1wuy s ILE 380 Cb 0.02 -3.75 0.26 0.00 1.25 0.00 0.00 42.46 40.23 1wuy s ILE 380 CO 0.06 0.17 1.88 1.55 0.24 0.00 0.00 174.94 178.83 1wuy h PRO 381 N 5.56 1.10 0.00 0.37 0.13 -1.98 -2.42 132.00 134.75 1wuy h PRO 381 Ca -0.44 -0.07 0.00 0.00 -0.87 0.00 0.00 66.00 64.62 1wuy h PRO 381 Cb 1.21 -0.25 0.00 0.00 0.13 0.00 0.00 31.00 32.10 1wuy h PRO 381 CO 0.77 0.73 0.00 -0.85 -0.23 0.00 0.00 178.00 178.42 1wuy n GLU 382 N -4.53 0.02 0.02 0.86 0.00 -1.26 -1.62 120.64 114.13 1wuy n GLU 382 Ca 0.14 0.30 0.11 0.00 0.00 0.00 0.00 57.16 57.71 1wuy n GLU 382 Cb 0.17 -1.50 -0.03 0.00 0.00 0.00 0.00 31.44 30.08 1wuy n GLU 382 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 1wuy n ALA 383 N -1.47 3.49 -2.04 -1.84 0.00 -0.91 -0.35 120.51 117.38 1wuy n ALA 383 Ca 0.03 -0.45 -0.42 0.00 0.00 0.00 0.00 53.44 52.60 1wuy n ALA 383 Cb 0.12 -0.91 -0.03 0.00 0.00 0.00 0.00 19.45 18.63 1wuy n ALA 383 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1wuy s LEU 384 N -3.93 4.38 -0.38 0.00 2.01 -0.64 -4.38 118.68 115.74 1wuy s LEU 384 Ca 0.02 2.47 -0.25 0.00 0.01 0.00 0.00 54.13 56.39 1wuy s LEU 384 Cb 0.14 -3.60 0.02 0.00 0.01 0.00 0.00 46.19 42.76 1wuy s LEU 384 CO 0.83 -0.70 0.89 -1.61 1.01 0.00 0.00 176.35 176.77 1wuy s GLU 385 N 0.78 3.77 -0.32 1.70 2.02 -1.26 -4.77 118.70 120.62 1wuy s GLU 385 Ca 0.65 0.45 0.00 0.00 0.02 0.00 0.00 54.97 56.09 1wuy s GLU 385 Cb -0.40 -3.82 0.10 0.00 0.10 0.00 0.00 34.13 30.11 1wuy s GLU 385 CO 0.33 -0.96 0.10 1.03 0.02 0.00 0.00 175.26 175.78 1wuy s ARG 386 N 3.42 0.88 -0.16 1.61 0.52 -1.26 -2.05 118.95 121.90 1wuy s ARG 386 Ca 0.36 -1.27 -0.23 0.00 -0.52 0.00 0.00 55.73 54.08 1wuy s ARG 386 Cb -0.12 -2.22 -0.02 0.00 0.52 0.00 0.00 34.95 33.11 1wuy s ARG 386 CO 0.19 -0.99 0.70 -1.58 0.02 0.00 0.00 175.30 173.65 1wuy s TRP 387 N 1.42 3.43 0.24 -0.53 0.52 -0.86 -4.75 118.94 118.41 1wuy s TRP 387 Ca 0.10 1.10 -0.31 0.00 0.02 0.00 0.00 56.10 57.01 1wuy s TRP 387 Cb -0.18 -2.86 -0.13 0.00 -1.15 0.00 0.00 33.47 29.14 1wuy s TRP 387 CO -0.21 -0.13 1.39 -2.30 0.02 0.00 0.00 176.95 175.72 1wuy n PRO 388 N 4.81 2.01 -0.32 4.98 -0.02 -1.26 -0.92 135.00 144.27 1wuy n PRO 388 Ca 0.00 0.71 -0.01 0.00 -2.02 0.00 0.00 63.50 62.19 1wuy n PRO 388 Cb 0.50 -2.36 0.12 0.00 -0.02 0.00 0.00 33.50 31.73 1wuy n PRO 388 CO 0.00 0.00 0.00 0.28 1.98 0.00 0.00 175.50 177.76 1wuy h VAL 389 N 3.01 1.13 -0.31 -1.45 2.07 -1.56 -2.03 116.25 117.11 1wuy h VAL 389 Ca -0.45 -0.37 0.09 0.00 0.82 0.00 0.00 66.70 66.79 1wuy h VAL 389 Cb 1.28 -0.05 -0.01 0.00 -1.52 0.00 0.00 31.29 30.99 1wuy h VAL 389 CO 0.75 0.20 0.25 1.12 0.02 0.00 0.00 177.57 179.91 1wuy h HIS 390 N 1.08 0.00 -0.05 1.57 2.07 -1.90 0.12 115.15 118.04 1wuy h HIS 390 Ca 0.35 0.00 -0.05 0.00 -2.85 0.00 0.00 60.37 57.82 1wuy h HIS 390 Cb 0.02 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.01 1wuy h HIS 390 CO -0.02 0.00 -0.17 -0.07 -3.07 0.00 0.00 177.93 174.60 1wuy h LEU 391 N 0.00 0.23 -1.06 6.12 3.38 -1.73 -2.70 115.31 119.55 1wuy h LEU 391 Ca 0.15 -0.63 -0.09 0.00 0.09 0.00 0.00 57.88 57.40 1wuy h LEU 391 Cb 0.65 -0.07 -0.01 0.00 0.09 0.00 0.00 40.66 41.32 1wuy h LEU 391 CO -0.00 0.82 -0.26 -0.07 0.09 0.00 0.00 178.44 179.02 1wuy h LEU 392 N -0.34 0.35 -1.08 1.67 3.38 -1.28 -1.80 115.31 116.21 1wuy h LEU 392 Ca -0.01 -0.11 -0.04 0.00 0.09 0.00 0.00 57.88 57.81 1wuy h LEU 392 Cb 0.81 -0.10 -0.03 0.00 0.09 0.00 0.00 40.66 41.43 1wuy h LEU 392 CO 0.04 0.62 0.21 -0.08 0.09 0.00 0.00 178.44 179.31 1wuy h GLU 393 N 0.32 0.87 0.11 1.13 4.81 -0.81 0.14 114.58 121.13 1wuy h GLU 393 Ca 0.05 -0.15 -0.26 0.00 -0.13 0.00 0.00 59.36 58.87 1wuy h GLU 393 Cb 0.63 -0.15 -0.00 0.00 0.63 0.00 0.00 28.75 29.86 1wuy h GLU 393 CO 0.05 0.73 -1.32 1.15 -0.73 0.00 0.00 179.01 178.88 1wuy h THR 394 N 0.85 1.08 0.19 0.32 2.02 -1.24 -3.32 112.91 112.82 1wuy h THR 394 Ca 0.20 -2.40 -0.31 0.00 0.77 0.00 0.00 66.41 64.67 1wuy h THR 394 Cb 0.20 2.74 0.02 0.00 -1.74 0.00 0.00 68.15 69.38 1wuy h THR 394 CO -0.01 0.68 -1.46 0.25 0.37 0.00 0.00 175.52 175.35 1wuy h LEU 395 N -0.37 0.64 -5.98 2.58 5.85 -1.38 -3.38 115.31 113.28 1wuy h LEU 395 Ca -0.29 -0.92 -0.55 0.00 0.84 0.00 0.00 57.88 56.96 1wuy h LEU 395 Cb 1.70 -0.21 -0.40 0.00 0.37 0.00 0.00 40.66 42.12 1wuy h LEU 395 CO 0.05 1.68 -1.00 0.18 -0.34 0.00 0.00 178.44 179.00 1wuy n LEU 396 N -3.78 1.29 -0.28 2.25 4.77 0.02 -0.03 117.00 121.25 1wuy n LEU 396 Ca -0.20 -4.97 0.09 0.00 -0.03 0.00 0.00 56.01 50.89 1wuy n LEU 396 Cb 1.02 0.34 0.24 0.00 -2.33 0.00 0.00 43.42 42.68 1wuy n LEU 396 CO 0.53 2.14 1.00 1.55 -1.33 0.00 0.00 177.39 181.28 1wuy h PRO 397 N 3.72 0.36 -0.42 3.23 0.13 -1.63 -1.90 132.00 135.49 1wuy h PRO 397 Ca 0.10 -0.02 -0.12 0.00 -0.87 0.00 0.00 66.00 65.09 1wuy h PRO 397 Cb 0.83 -0.08 -0.01 0.00 0.13 0.00 0.00 31.00 31.87 1wuy h PRO 397 CO 0.56 0.24 -0.23 -0.09 -0.23 0.00 0.00 178.00 178.26 1wuy h ARG 398 N 0.37 0.86 -0.81 0.86 9.65 -1.91 -2.94 114.38 120.46 1wuy h ARG 398 Ca 0.48 -0.36 -0.04 0.00 -1.10 0.00 0.00 59.98 58.96 1wuy h ARG 398 Cb 0.83 -0.03 -0.04 0.00 -1.39 0.00 0.00 29.97 29.34 1wuy h ARG 398 CO -0.49 1.00 0.37 0.45 2.80 0.00 0.00 179.97 184.09 1wuy h HIS 399 N 0.74 1.19 -0.77 2.20 3.86 -1.70 -1.84 115.15 118.83 1wuy h HIS 399 Ca 0.10 -0.07 -0.02 0.00 -1.16 0.00 0.00 60.37 59.22 1wuy h HIS 399 Cb 0.77 -0.36 -0.04 0.00 1.06 0.00 0.00 27.41 28.84 1wuy h HIS 399 CO 0.04 0.87 0.41 1.25 0.86 0.00 0.00 177.93 181.37 1wuy h LEU 400 N 1.16 0.97 -0.63 2.43 6.46 -1.38 0.22 115.31 124.54 1wuy h LEU 400 Ca 0.28 -0.09 -0.06 0.00 -0.12 0.00 0.00 57.88 57.89 1wuy h LEU 400 Cb 0.15 -0.25 -0.03 0.00 -0.73 0.00 0.00 40.66 39.81 1wuy h LEU 400 CO -0.03 0.79 0.14 1.56 -0.62 0.00 0.00 178.44 180.28 1wuy h GLN 401 N 1.09 1.01 -0.26 1.25 4.20 -1.24 -1.89 115.11 119.26 1wuy h GLN 401 Ca 0.27 -0.25 -0.14 0.00 0.06 0.00 0.00 58.65 58.60 1wuy h GLN 401 Cb 0.05 -0.13 -0.01 0.00 0.30 0.00 0.00 27.48 27.69 1wuy h GLN 401 CO -0.04 0.92 -0.40 0.82 -0.67 0.00 0.00 178.83 179.46 1wuy h ILE 402 N 0.93 1.29 -0.13 2.54 2.04 -0.79 -2.39 117.51 121.01 1wuy h ILE 402 Ca 0.19 -1.56 -0.09 0.00 1.00 0.00 0.00 64.86 64.40 1wuy h ILE 402 Cb 0.38 1.52 -0.01 0.00 -0.74 0.00 0.00 36.82 37.96 1wuy h ILE 402 CO 0.00 0.50 -0.32 0.40 0.00 0.00 0.00 178.15 178.74 1wuy h ILE 403 N 0.51 1.27 -0.19 -0.67 2.04 -0.72 0.71 117.51 120.46 1wuy h ILE 403 Ca 0.04 -1.29 -0.19 0.00 1.00 0.00 0.00 64.86 64.43 1wuy h ILE 403 Cb 0.91 1.52 0.00 0.00 -0.74 0.00 0.00 36.82 38.52 1wuy h ILE 403 CO 0.08 0.39 -0.65 1.88 0.00 0.00 0.00 178.15 179.85 1wuy h TYR 404 N 0.22 0.90 -0.28 1.37 0.05 -1.20 -0.92 116.97 117.10 1wuy h TYR 404 Ca 0.03 -0.35 -0.15 0.00 0.05 0.00 0.00 58.73 58.31 1wuy h TYR 404 Cb 0.67 -0.15 -0.01 0.00 1.01 0.00 0.00 36.73 38.25 1wuy h TYR 404 CO 0.01 1.15 -0.44 1.49 -1.05 0.00 0.00 178.16 179.32 1wuy h GLU 405 N 0.50 0.70 -0.07 4.88 4.57 -1.08 0.11 114.58 124.19 1wuy h GLU 405 Ca -0.01 -0.38 -0.01 0.00 -1.18 0.00 0.00 59.36 57.78 1wuy h GLU 405 Cb 1.24 0.02 -0.00 0.00 -0.16 0.00 0.00 28.75 29.85 1wuy h GLU 405 CO 0.13 0.99 0.00 0.82 -1.18 0.00 0.00 179.01 179.78 1wuy h ILE 406 N 0.56 1.24 -0.60 2.32 2.04 -0.78 -2.46 117.51 119.83 1wuy h ILE 406 Ca 0.04 -0.74 0.06 0.00 1.00 0.00 0.00 64.86 65.22 1wuy h ILE 406 Cb 0.98 1.60 -0.06 0.00 -0.74 0.00 0.00 36.82 38.61 1wuy h ILE 406 CO 0.09 0.21 0.30 -1.13 0.00 0.00 0.00 178.15 177.62 1wuy h ASN 407 N -0.15 0.42 -0.14 1.72 -1.24 -1.04 -0.58 115.58 114.57 1wuy h ASN 407 Ca 0.02 0.04 0.03 0.00 0.71 0.00 0.00 56.30 57.10 1wuy h ASN 407 Cb 0.32 -0.04 -0.03 0.00 0.73 0.00 0.00 38.32 39.31 1wuy h ASN 407 CO 0.00 0.27 -0.05 -0.61 -1.29 0.00 0.00 177.43 175.76 1wuy h GLN 408 N 0.56 -0.02 -0.01 6.67 4.15 -0.65 -0.60 115.11 125.21 1wuy h GLN 408 Ca 0.28 0.00 -0.13 0.00 0.77 0.00 0.00 58.65 59.57 1wuy h GLN 408 Cb 0.21 0.00 -0.02 0.00 0.21 0.00 0.00 27.48 27.89 1wuy h GLN 408 CO -0.20 -0.01 -0.59 0.00 -1.93 0.00 0.00 178.83 176.10 1wuy h ARG 409 N -0.02 0.05 -0.09 1.69 3.08 -1.17 -2.70 114.38 115.23 1wuy h ARG 409 Ca 0.07 -0.03 -0.03 0.00 0.07 0.00 0.00 59.98 60.06 1wuy h ARG 409 Cb 0.13 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.18 1wuy h ARG 409 CO -0.16 0.62 -0.08 0.35 -1.07 0.00 0.00 179.97 179.64 1wuy h PHE 410 N 0.03 0.24 0.00 3.04 3.57 -0.80 -2.72 116.94 120.30 1wuy h PHE 410 Ca -0.01 -0.07 -0.03 0.00 3.53 0.00 0.00 57.97 61.39 1wuy h PHE 410 Cb 1.05 -0.05 -0.00 0.00 2.79 0.00 0.00 35.95 39.73 1wuy h PHE 410 CO 0.00 0.62 -0.15 -0.07 -2.23 0.00 0.00 178.31 176.49 1wuy h LEU 411 N -0.21 0.00 -1.09 0.59 3.38 -1.12 0.25 115.31 117.12 1wuy h LEU 411 Ca 0.01 0.00 -0.09 0.00 0.09 0.00 0.00 57.88 57.89 1wuy h LEU 411 Cb 0.58 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.31 1wuy h LEU 411 CO 0.02 0.15 -0.36 0.78 0.09 0.00 0.00 178.44 179.12 1wuy h ASN 412 N 0.00 0.18 -0.42 -0.43 -0.26 -1.36 -0.33 115.58 112.96 1wuy h ASN 412 Ca -0.00 -0.06 -0.15 0.00 -0.56 0.00 0.00 56.30 55.52 1wuy h ASN 412 Cb 0.28 -0.05 -0.01 0.00 -1.06 0.00 0.00 38.32 37.48 1wuy h ASN 412 CO 0.02 0.53 -0.32 0.03 -1.06 0.00 0.00 177.43 176.62 1wuy h ARG 413 N 0.15 0.97 -0.03 0.81 3.08 -0.66 -2.37 114.38 116.33 1wuy h ARG 413 Ca 0.02 -0.47 -0.00 0.00 0.07 0.00 0.00 59.98 59.59 1wuy h ARG 413 Cb 0.71 -0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.76 1wuy h ARG 413 CO 0.05 1.14 0.00 0.28 -1.07 0.00 0.00 179.97 180.37 1wuy h VAL 414 N 0.80 1.23 -0.76 2.04 2.07 -0.82 -2.18 116.25 118.65 1wuy h VAL 414 Ca 0.08 -0.70 0.05 0.00 0.82 0.00 0.00 66.70 66.95 1wuy h VAL 414 Cb 0.92 1.66 -0.05 0.00 -1.52 0.00 0.00 31.29 32.30 1wuy h VAL 414 CO 0.09 0.19 0.50 0.00 0.02 0.00 0.00 177.57 178.36 1wuy h ALA 415 N 0.72 1.63 -0.04 1.67 0.00 -1.09 0.33 119.26 122.48 1wuy h ALA 415 Ca 0.01 -0.03 -0.12 0.00 0.00 0.00 0.00 54.91 54.77 1wuy h ALA 415 Cb 0.30 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.85 1wuy h ALA 415 CO 0.00 0.27 -0.51 0.00 0.00 0.00 0.00 179.25 179.01 1wuy h ALA 416 N 1.58 1.07 0.16 0.00 0.00 -1.29 -2.57 119.26 118.21 1wuy h ALA 416 Ca 0.32 -0.47 -0.32 0.00 0.00 0.00 0.00 54.91 54.43 1wuy h ALA 416 Cb 0.17 -0.09 0.01 0.00 0.00 0.00 0.00 17.79 17.89 1wuy h ALA 416 CO -0.10 0.65 -1.55 0.00 0.00 0.00 0.00 179.25 178.25 1wuy h ALA 417 N 1.39 0.15 -2.52 0.00 0.00 -0.51 -3.40 119.26 114.38 1wuy h ALA 417 Ca 0.00 -1.05 -0.60 0.00 0.00 0.00 0.00 54.91 53.26 1wuy h ALA 417 Cb 0.93 0.28 -0.41 0.00 0.00 0.00 0.00 17.79 18.59 1wuy h ALA 417 CO 0.07 1.02 -0.71 1.19 0.00 0.00 0.00 179.25 180.82 1wuy n PHE 418 N -3.54 2.30 -1.67 0.00 3.72 0.10 -5.09 117.46 113.27 1wuy n PHE 418 Ca -0.18 -4.01 -0.47 0.00 -0.05 0.00 0.00 57.45 52.74 1wuy n PHE 418 Cb 1.06 -0.44 -0.04 0.00 -0.94 0.00 0.00 39.48 39.12 1wuy n PHE 418 CO 0.00 0.00 0.00 -2.30 -0.05 0.00 0.00 176.76 174.41 1wuy n PRO 419 N 1.62 2.18 -0.07 -1.08 -0.02 -0.97 -1.90 135.00 134.76 1wuy n PRO 419 Ca 0.25 0.79 0.00 0.00 -2.02 0.00 0.00 63.50 62.52 1wuy n PRO 419 Cb 0.41 -2.60 0.00 0.00 -0.02 0.00 0.00 33.50 31.29 1wuy n PRO 419 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1wuy n GLY 420 N 3.88 2.18 3.44 -1.23 0.00 -1.26 -4.95 105.19 107.25 1wuy n GLY 420 Ca 0.20 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.79 1wuy n GLY 420 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1wuy n ASP 421 N 0.00 4.76 0.19 1.61 4.64 -0.80 -4.73 116.55 122.22 1wuy n ASP 421 Ca 0.00 -2.91 0.03 0.00 -1.38 0.00 0.00 54.79 50.53 1wuy n ASP 421 Cb 0.00 -1.73 0.38 0.00 -1.04 0.00 0.00 41.12 38.73 1wuy n ASP 421 CO 0.00 0.00 0.00 1.62 -0.82 0.00 0.00 177.20 178.00 1wuy h VAL 422 N 5.30 1.23 -0.04 5.18 3.04 -1.92 -2.88 116.25 126.16 1wuy h VAL 422 Ca 0.47 -1.17 -0.18 0.00 -1.01 0.00 0.00 66.70 64.81 1wuy h VAL 422 Cb 0.83 1.63 -0.01 0.00 -2.01 0.00 0.00 31.29 31.74 1wuy h VAL 422 CO 1.53 0.33 -0.75 -0.78 -1.01 0.00 0.00 177.57 176.90 1wuy h ASP 423 N 0.00 0.30 -0.58 3.17 3.58 -2.00 -3.00 116.42 117.90 1wuy h ASP 423 Ca -0.00 -0.21 -0.05 0.00 0.42 0.00 0.00 57.03 57.19 1wuy h ASP 423 Cb 0.61 -0.09 -0.03 0.00 1.72 0.00 0.00 39.33 41.54 1wuy h ASP 423 CO 0.04 0.94 0.18 -0.09 -2.88 0.00 0.00 179.24 177.44 1wuy h ARG 424 N 0.16 0.94 -0.15 0.28 2.43 -1.91 -2.17 114.38 113.96 1wuy h ARG 424 Ca -0.03 -0.19 0.04 0.00 -0.81 0.00 0.00 59.98 58.99 1wuy h ARG 424 Cb 1.32 -0.14 -0.04 0.00 -0.42 0.00 0.00 29.97 30.69 1wuy h ARG 424 CO 0.12 0.82 -0.08 -0.07 -1.51 0.00 0.00 179.97 179.25 1wuy h LEU 425 N 0.91 -0.26 -0.99 3.80 4.07 -1.37 -0.41 115.31 121.05 1wuy h LEU 425 Ca 0.20 0.06 -0.09 0.00 0.08 0.00 0.00 57.88 58.14 1wuy h LEU 425 Cb 0.28 0.14 -0.01 0.00 1.08 0.00 0.00 40.66 42.15 1wuy h LEU 425 CO -0.01 -0.11 -0.42 0.08 -1.08 0.00 0.00 178.44 176.91 1wuy h ARG 426 N -0.07 0.00 -0.12 1.13 -0.00 -1.51 -2.39 114.38 111.43 1wuy h ARG 426 Ca 0.09 0.00 -0.15 0.00 -0.00 0.00 0.00 59.98 59.92 1wuy h ARG 426 Cb 0.20 0.00 -0.01 0.00 -0.00 0.00 0.00 29.97 30.16 1wuy h ARG 426 CO -0.19 0.42 -0.56 0.00 -0.00 0.00 0.00 179.97 179.64 1wuy h ARG 427 N 0.00 0.37 0.00 0.08 3.08 -0.79 -3.23 114.38 113.89 1wuy h ARG 427 Ca -0.00 -0.23 0.00 0.00 0.07 0.00 0.00 59.98 59.81 1wuy h ARG 427 Cb 0.88 0.03 0.00 0.00 0.08 0.00 0.00 29.97 30.96 1wuy h ARG 427 CO 0.05 0.83 -0.70 -1.33 -1.07 0.00 0.00 179.97 177.76 1wuy n MET 428 N -3.93 0.18 -1.66 0.04 2.81 -0.22 -4.97 117.12 109.38 1wuy n MET 428 Ca -0.03 0.03 -0.41 0.00 -1.81 0.00 0.00 57.70 55.49 1wuy n MET 428 Cb 0.60 -1.59 0.02 0.00 -0.71 0.00 0.00 33.22 31.53 1wuy n MET 428 CO 0.00 0.00 0.00 0.45 1.51 0.00 0.00 175.97 177.93 1wuy n SER 429 N -1.84 1.96 0.12 7.83 2.88 -0.91 -4.87 113.62 118.80 1wuy n SER 429 Ca 0.04 1.06 0.13 0.00 -1.33 0.00 0.00 58.87 58.76 1wuy n SER 429 Cb 0.40 -1.44 0.39 0.00 -0.75 0.00 0.00 64.21 62.81 1wuy n SER 429 CO 0.00 0.00 0.00 -0.07 -1.23 0.00 0.00 175.04 173.74 1wuy h LEU 430 N 1.75 0.00 -8.69 2.46 3.38 -1.92 -3.43 115.31 108.87 1wuy h LEU 430 Ca -0.47 0.00 -0.66 0.00 0.09 0.00 0.00 57.88 56.85 1wuy h LEU 430 Cb 1.32 0.00 -0.21 0.00 0.09 0.00 0.00 40.66 41.86 1wuy h LEU 430 CO 0.58 0.00 -0.56 -0.69 0.09 0.00 0.00 178.44 177.86 1wuy s VAL 431 N -3.14 4.74 -0.24 1.22 1.01 -1.26 0.07 120.40 122.80 1wuy s VAL 431 Ca 0.10 -0.16 -0.14 0.00 0.00 0.00 0.00 61.98 61.78 1wuy s VAL 431 Cb 0.11 -3.31 -0.04 0.00 0.00 0.00 0.00 36.38 33.14 1wuy s VAL 431 CO 0.59 0.20 0.31 -1.61 0.00 0.00 0.00 175.10 174.59 1wuy s GLU 432 N 1.66 4.07 0.58 2.72 2.02 -0.04 -4.95 118.70 124.77 1wuy s GLU 432 Ca 0.06 -0.02 -0.08 0.00 0.02 0.00 0.00 54.97 54.96 1wuy s GLU 432 Cb -0.16 -3.59 -0.01 0.00 0.10 0.00 0.00 34.13 30.46 1wuy s GLU 432 CO 0.07 -0.12 0.92 -2.00 0.02 0.00 0.00 175.26 174.15 1wuy s GLU 433 N 1.58 3.21 0.00 1.61 2.56 -1.26 -1.99 118.70 124.41 1wuy s GLU 433 Ca 0.14 0.27 0.00 0.00 0.00 0.00 0.00 54.97 55.37 1wuy s GLU 433 Cb -0.15 -2.23 0.00 0.00 2.00 0.00 0.00 34.13 33.75 1wuy s GLU 433 CO 0.08 -0.59 0.00 0.41 -0.56 0.00 0.00 175.26 174.60 1wuy n GLY 434 N -2.59 0.53 0.03 -1.50 0.00 -1.26 -4.92 105.19 95.48 1wuy n GLY 434 Ca 0.04 -1.53 -0.01 0.00 0.00 0.00 0.00 46.02 44.52 1wuy n GLY 434 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1wuy n ALA 435 N -0.76 -0.05 -2.41 4.61 0.00 -1.26 -4.35 120.51 116.28 1wuy n ALA 435 Ca 0.00 0.07 -0.28 0.00 0.00 0.00 0.00 53.44 53.23 1wuy n ALA 435 Cb 0.00 0.40 -0.15 0.00 0.00 0.00 0.00 19.45 19.70 1wuy n ALA 435 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.50 177.64 1wuy s VAL 436 N -3.22 1.75 0.52 0.00 -7.23 -1.26 -5.12 120.40 105.84 1wuy s VAL 436 Ca -0.01 -1.01 -0.21 0.00 -1.81 0.00 0.00 61.98 58.95 1wuy s VAL 436 Cb 0.01 -1.47 -0.06 0.00 0.56 0.00 0.00 36.38 35.42 1wuy s VAL 436 CO 0.05 0.44 1.15 -0.54 -0.31 0.00 0.00 175.10 175.89 1wuy s LYS 437 N -0.67 3.47 0.14 4.82 1.02 -1.26 -4.84 119.74 122.43 1wuy s LYS 437 Ca 0.09 1.68 -0.01 0.00 0.02 0.00 0.00 55.97 57.74 1wuy s LYS 437 Cb -0.09 -2.14 -0.04 0.00 -0.52 0.00 0.00 37.83 35.05 1wuy s LYS 437 CO -0.00 -0.76 0.07 1.03 -0.92 0.00 0.00 175.35 174.77 1wuy s ARG 438 N -3.09 0.96 -0.17 1.68 0.52 -0.84 -1.42 118.95 116.59 1wuy s ARG 438 Ca 0.70 -1.44 -0.02 0.00 -0.52 0.00 0.00 55.73 54.45 1wuy s ARG 438 Cb -0.26 0.25 -0.01 0.00 0.52 0.00 0.00 34.95 35.45 1wuy s ARG 438 CO 0.30 -0.28 -0.09 0.42 0.02 0.00 0.00 175.30 175.67 1wuy s ILE 439 N -4.05 3.22 -0.60 1.52 -1.09 -0.10 -0.86 121.20 119.25 1wuy s ILE 439 Ca 0.25 -0.58 -0.24 0.00 -2.23 0.00 0.00 60.65 57.85 1wuy s ILE 439 Cb 0.07 -2.40 0.05 0.00 -1.58 0.00 0.00 42.46 38.60 1wuy s ILE 439 CO 0.02 0.49 0.98 0.21 -1.23 0.00 0.00 174.94 175.41 1wuy s ASN 440 N 0.79 6.28 0.47 3.58 3.84 0.11 -2.03 114.94 127.99 1wuy s ASN 440 Ca -0.03 -0.54 0.19 0.00 0.21 0.00 0.00 52.86 52.68 1wuy s ASN 440 Cb -0.15 -2.44 1.17 0.00 -0.55 0.00 0.00 41.25 39.28 1wuy s ASN 440 CO 0.01 -1.35 2.02 0.24 -2.79 0.00 0.00 177.10 175.24 1wuy h MET 441 N 9.45 0.00 -0.30 0.43 2.86 -1.72 -2.24 114.93 123.41 1wuy h MET 441 Ca -0.27 0.00 -0.11 0.00 -2.06 0.00 0.00 59.70 57.26 1wuy h MET 441 Cb 1.07 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.72 1wuy h MET 441 CO 1.13 0.16 -0.28 0.00 1.06 0.00 0.00 176.91 178.99 1wuy h ALA 442 N 1.84 0.96 -0.18 6.32 0.00 -1.90 -1.72 119.26 124.57 1wuy h ALA 442 Ca -0.00 -0.38 -0.14 0.00 0.00 0.00 0.00 54.91 54.39 1wuy h ALA 442 Cb 0.32 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.97 1wuy h ALA 442 CO 0.02 0.61 -0.47 0.45 0.00 0.00 0.00 179.25 179.85 1wuy h HIS 443 N 0.53 0.55 -0.41 0.00 3.86 -1.79 -2.26 115.15 115.63 1wuy h HIS 443 Ca 0.07 -0.18 -0.03 0.00 -1.16 0.00 0.00 60.37 59.07 1wuy h HIS 443 Cb 0.75 -0.11 -0.02 0.00 1.06 0.00 0.00 27.41 29.09 1wuy h HIS 443 CO 0.03 0.85 0.14 1.25 0.86 0.00 0.00 177.93 181.06 1wuy h LEU 444 N 0.37 0.58 -0.64 2.43 6.46 -1.25 -2.13 115.31 121.13 1wuy h LEU 444 Ca 0.02 -0.19 -0.06 0.00 -0.12 0.00 0.00 57.88 57.53 1wuy h LEU 444 Cb 0.97 -0.15 -0.03 0.00 -0.73 0.00 0.00 40.66 40.72 1wuy h LEU 444 CO 0.08 0.61 0.17 0.00 -0.62 0.00 0.00 178.44 178.69 1wuy h ILE 446 N 0.93 1.24 -0.86 0.00 2.04 -1.34 -2.29 117.51 117.23 1wuy h ILE 446 Ca 0.20 -0.83 -0.02 0.00 1.00 0.00 0.00 64.86 65.22 1wuy h ILE 446 Cb 0.34 1.03 -0.04 0.00 -0.74 0.00 0.00 36.82 37.41 1wuy h ILE 446 CO -0.00 0.28 0.48 0.00 0.00 0.00 0.00 178.15 178.91 1wuy h ALA 447 N 0.93 1.11 -0.62 1.87 0.00 -1.20 -3.17 119.26 118.17 1wuy h ALA 447 Ca 0.12 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1wuy h ALA 447 Cb 0.34 -0.35 0.00 0.00 0.00 0.00 0.00 17.79 17.79 1wuy h ALA 447 CO 0.01 0.61 0.00 0.41 0.00 0.00 0.00 179.25 180.28 1wuy n GLY 448 N -1.13 2.86 3.37 0.00 0.00 -0.67 -4.93 105.19 104.69 1wuy n GLY 448 Ca 0.09 -0.87 -0.29 0.00 0.00 0.00 0.00 46.02 44.95 1wuy n GLY 448 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1wuy s SER 449 N -0.93 3.20 0.00 1.61 0.01 -0.87 -3.89 113.70 112.83 1wuy s SER 449 Ca 0.51 -0.69 0.27 0.00 1.31 0.00 0.00 55.95 57.35 1wuy s SER 449 Cb 0.35 -0.24 0.84 0.00 0.21 0.00 0.00 66.02 67.18 1wuy s SER 449 CO 0.22 0.20 1.62 0.00 0.41 0.00 0.00 173.24 175.69 1wuy n HIS 450 N 1.22 0.00 -3.72 2.43 1.44 -0.41 -4.85 115.22 111.33 1wuy n HIS 450 Ca -0.18 0.00 -0.13 0.00 -2.01 0.00 0.00 57.72 55.40 1wuy n HIS 450 Cb 0.53 -0.08 -0.10 0.00 0.12 0.00 0.00 29.99 30.46 1wuy n HIS 450 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 1wuy s ALA 451 N -2.34 -1.13 -0.06 1.59 0.00 -1.26 -4.58 121.76 113.98 1wuy s ALA 451 Ca 0.29 1.29 0.00 0.00 0.00 0.00 0.00 51.96 53.54 1wuy s ALA 451 Cb 0.20 -0.75 0.02 0.00 0.00 0.00 0.00 23.12 22.60 1wuy s ALA 451 CO 0.46 -0.22 -0.03 0.08 0.00 0.00 0.00 175.76 176.05 1wuy s VAL 452 N 0.23 0.49 0.09 0.00 1.01 -0.01 -1.02 120.40 121.19 1wuy s VAL 452 Ca -0.00 -0.04 0.06 0.00 0.00 0.00 0.00 61.98 62.00 1wuy s VAL 452 Cb -0.03 -0.56 -0.03 0.00 0.00 0.00 0.00 36.38 35.76 1wuy s VAL 452 CO 0.01 0.24 -0.16 0.54 0.00 0.00 0.00 175.10 175.73 1wuy s ASN 453 N 1.31 1.96 0.61 3.32 4.22 -0.72 -0.84 114.94 124.79 1wuy s ASN 453 Ca -0.05 -0.69 0.01 0.00 -2.14 0.00 0.00 52.86 49.99 1wuy s ASN 453 Cb -0.13 -0.07 0.06 0.00 1.28 0.00 0.00 41.25 42.38 1wuy s ASN 453 CO -0.02 -0.07 0.85 -0.83 -2.04 0.00 0.00 177.10 174.99 1wuy s GLY 454 N -2.00 1.80 0.00 0.45 0.00 -0.96 -1.75 107.32 104.86 1wuy s GLY 454 Ca 0.03 -1.45 0.15 0.00 0.00 0.00 0.00 44.72 43.45 1wuy s GLY 454 CO 0.03 -1.07 1.17 3.33 0.00 0.00 0.00 173.10 176.55 1wuy n VAL 455 N -2.50 0.52 -3.56 1.40 0.24 -1.26 -2.39 118.33 110.77 1wuy n VAL 455 Ca 0.10 -0.76 -0.15 0.00 -2.04 0.00 0.00 64.34 61.49 1wuy n VAL 455 Cb 0.60 0.89 -0.06 0.00 -1.47 0.00 0.00 33.84 33.80 1wuy n VAL 455 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1wuy s ALA 456 N -1.12 -1.83 0.22 2.33 0.00 -1.26 -1.10 121.76 119.00 1wuy s ALA 456 Ca 0.25 1.53 -0.11 0.00 0.00 0.00 0.00 51.96 53.62 1wuy s ALA 456 Cb 0.14 -0.45 0.30 0.00 0.00 0.00 0.00 23.12 23.12 1wuy s ALA 456 CO 0.20 -0.34 1.63 -0.09 0.00 0.00 0.00 175.76 177.16 1wuy h ARG 457 N 3.26 0.05 -0.71 0.00 2.43 -1.89 0.43 114.38 117.95 1wuy h ARG 457 Ca -0.25 -0.00 -0.07 0.00 -0.81 0.00 0.00 59.98 58.84 1wuy h ARG 457 Cb 1.15 -0.01 -0.03 0.00 -0.42 0.00 0.00 29.97 30.66 1wuy h ARG 457 CO 0.30 0.03 0.15 0.97 -1.51 0.00 0.00 179.97 179.92 1wuy h ILE 458 N 0.05 1.26 -0.56 1.20 2.10 -1.90 -1.80 117.51 117.86 1wuy h ILE 458 Ca 0.34 -1.00 -0.10 0.00 1.08 0.00 0.00 64.86 65.18 1wuy h ILE 458 Cb 0.55 0.55 -0.02 0.00 -1.09 0.00 0.00 36.82 36.81 1wuy h ILE 458 CO -0.64 0.38 -0.04 -0.74 -1.08 0.00 0.00 178.15 176.03 1wuy h HIS 459 N 1.08 1.09 -0.11 2.19 2.76 -1.54 -1.54 115.15 119.08 1wuy h HIS 459 Ca 0.22 -0.20 -0.08 0.00 -2.20 0.00 0.00 60.37 58.11 1wuy h HIS 459 Cb 0.40 -0.28 -0.01 0.00 1.55 0.00 0.00 27.41 29.06 1wuy h HIS 459 CO 0.03 0.99 -0.30 0.77 -1.30 0.00 0.00 177.93 178.12 1wuy h SER 460 N 0.90 0.21 0.01 3.26 0.02 -0.71 -1.71 113.55 115.54 1wuy h SER 460 Ca 0.16 -0.07 -0.25 0.00 -0.84 0.00 0.00 61.79 60.79 1wuy h SER 460 Cb 0.59 -0.06 0.02 0.00 0.14 0.00 0.00 62.40 63.09 1wuy h SER 460 CO 0.04 0.51 -0.97 -0.33 -1.14 0.00 0.00 176.83 174.94 1wuy h GLU 461 N 0.19 0.68 -0.31 3.45 4.39 -1.06 -3.12 114.58 118.80 1wuy h GLU 461 Ca 0.03 -0.69 -0.02 0.00 0.34 0.00 0.00 59.36 59.02 1wuy h GLU 461 Cb 0.63 0.18 -0.02 0.00 -0.10 0.00 0.00 28.75 29.45 1wuy h GLU 461 CO 0.05 1.28 0.11 0.82 -1.16 0.00 0.00 179.01 180.10 1wuy h ILE 462 N 0.41 1.13 -0.66 3.13 2.04 -1.01 -0.42 117.51 122.12 1wuy h ILE 462 Ca -0.10 -0.42 -0.08 0.00 1.00 0.00 0.00 64.86 65.26 1wuy h ILE 462 Cb 1.61 0.78 -0.03 0.00 -0.74 0.00 0.00 36.82 38.45 1wuy h ILE 462 CO 0.19 0.16 0.11 -0.07 0.00 0.00 0.00 178.15 178.53 1wuy h LEU 463 N 0.43 1.05 -0.14 1.44 3.38 -1.26 0.14 115.31 120.35 1wuy h LEU 463 Ca 0.11 -0.26 -0.23 0.00 0.09 0.00 0.00 57.88 57.59 1wuy h LEU 463 Cb 0.11 -0.28 0.00 0.00 0.09 0.00 0.00 40.66 40.59 1wuy h LEU 463 CO -0.01 1.04 -0.98 0.11 0.09 0.00 0.00 178.44 178.69 1wuy h LYS 464 N 1.01 0.38 0.00 1.13 1.57 -1.36 0.14 116.57 119.44 1wuy h LYS 464 Ca 0.20 -0.43 -0.24 0.00 -1.87 0.00 0.00 60.65 58.31 1wuy h LYS 464 Cb 0.44 0.13 -0.04 0.00 0.08 0.00 0.00 32.23 32.84 1wuy h LYS 464 CO 0.01 1.11 -1.25 0.87 -0.57 0.00 0.00 179.45 179.62 1wuy h LYS 465 N 0.20 0.00 0.00 3.15 1.57 -1.05 -3.31 116.57 117.13 1wuy h LYS 465 Ca -0.09 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.69 1wuy h LYS 465 Cb 1.63 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.94 1wuy h LYS 465 CO 0.17 0.79 0.00 2.41 -0.57 0.00 0.00 179.45 182.25 1wuy n THR 466 N -3.23 0.00 -0.33 -0.16 -1.04 0.49 -4.73 114.28 105.27 1wuy n THR 466 Ca -0.06 0.00 0.03 0.00 -2.04 0.00 0.00 64.05 61.98 1wuy n THR 466 Cb 0.97 -0.01 0.09 0.00 -1.82 0.00 0.00 70.33 69.57 1wuy n THR 466 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1wuy n ILE 467 N 0.00 -0.42 -1.45 12.58 0.13 -1.23 -1.65 119.36 127.33 1wuy n ILE 467 Ca 0.00 2.09 -0.03 0.00 -1.10 0.00 0.00 62.75 63.70 1wuy n ILE 467 Cb 0.00 -2.84 0.20 0.00 -0.84 0.00 0.00 39.64 36.17 1wuy n ILE 467 CO 0.00 0.00 0.00 0.49 2.80 0.00 0.00 176.55 179.84 1wuy n PHE 468 N -5.42 0.99 -0.19 9.51 0.99 0.47 -4.79 117.46 119.03 1wuy n PHE 468 Ca 0.12 -1.57 -0.00 0.00 -0.00 0.00 0.00 57.45 56.00 1wuy n PHE 468 Cb 0.42 -0.47 0.08 0.00 -1.00 0.00 0.00 39.48 38.51 1wuy n PHE 468 CO 0.00 0.00 0.00 -0.22 -0.00 0.00 0.00 176.76 176.54 1wuy h LYS 469 N 1.02 0.11 -0.69 -1.08 3.64 -1.28 -0.00 116.57 118.28 1wuy h LYS 469 Ca 0.20 -0.01 -0.01 0.00 -1.27 0.00 0.00 60.65 59.57 1wuy h LYS 469 Cb 1.60 -0.02 -0.03 0.00 -0.41 0.00 0.00 32.23 33.36 1wuy h LYS 469 CO 0.35 0.07 0.41 -0.44 -2.27 0.00 0.00 179.45 177.57 1wuy h ASP 470 N 0.11 0.82 0.01 4.20 3.32 -1.86 -1.18 116.42 121.84 1wuy h ASP 470 Ca 0.29 -0.05 -0.19 0.00 0.02 0.00 0.00 57.03 57.11 1wuy h ASP 470 Cb 0.46 -0.21 -0.00 0.00 0.22 0.00 0.00 39.33 39.80 1wuy h ASP 470 CO -0.49 0.64 -0.66 -0.26 -1.72 0.00 0.00 179.24 176.75 1wuy h PHE 471 N 0.95 0.80 -0.60 4.55 0.04 -1.72 -2.53 116.94 118.43 1wuy h PHE 471 Ca 0.25 -0.32 -0.08 0.00 2.80 0.00 0.00 57.97 60.62 1wuy h PHE 471 Cb -0.03 -0.14 -0.02 0.00 2.20 0.00 0.00 35.95 37.96 1wuy h PHE 471 CO 0.00 1.10 0.07 -0.92 -0.60 0.00 0.00 178.31 177.97 1wuy h TYR 472 N 0.44 1.05 -0.19 -0.55 3.20 -0.54 -1.13 116.97 119.26 1wuy h TYR 472 Ca -0.02 -0.14 -0.09 0.00 3.14 0.00 0.00 58.73 61.62 1wuy h TYR 472 Cb 1.25 -0.29 -0.01 0.00 1.54 0.00 0.00 36.73 39.22 1wuy h TYR 472 CO 0.06 0.90 -0.28 0.93 -1.64 0.00 0.00 178.16 178.13 1wuy h GLU 473 N 0.92 0.36 -0.04 1.82 5.08 -1.12 -1.47 114.58 120.15 1wuy h GLU 473 Ca 0.18 -0.14 -0.05 0.00 -1.00 0.00 0.00 59.36 58.35 1wuy h GLU 473 Cb 0.44 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.67 1wuy h GLU 473 CO 0.01 0.62 -0.17 1.25 -1.00 0.00 0.00 179.01 179.72 1wuy h LEU 474 N 0.32 0.21 -6.42 1.33 6.46 -1.14 -3.41 115.31 112.66 1wuy h LEU 474 Ca 0.05 -0.66 -0.59 0.00 -0.12 0.00 0.00 57.88 56.56 1wuy h LEU 474 Cb 0.67 -0.06 -0.38 0.00 -0.73 0.00 0.00 40.66 40.15 1wuy h LEU 474 CO 0.05 0.83 -0.94 -1.61 -0.62 0.00 0.00 178.44 176.15 1wuy s GLU 475 N -3.60 0.98 0.43 1.25 2.02 -0.45 -4.98 118.70 114.34 1wuy s GLU 475 Ca -0.16 -2.14 0.09 0.00 0.02 0.00 0.00 54.97 52.79 1wuy s GLU 475 Cb 0.02 -1.54 0.93 0.00 0.10 0.00 0.00 34.13 33.65 1wuy s GLU 475 CO 0.73 -1.37 2.05 -1.00 0.02 0.00 0.00 175.26 175.69 1wuy h PRO 476 N 5.71 0.46 -0.00 0.39 0.13 -1.48 -2.78 132.00 134.42 1wuy h PRO 476 Ca 0.25 -0.03 0.00 0.00 -0.87 0.00 0.00 66.00 65.35 1wuy h PRO 476 Cb 0.90 -0.10 -0.00 0.00 0.13 0.00 0.00 31.00 31.93 1wuy h PRO 476 CO 0.39 0.30 0.01 1.12 -0.23 0.00 0.00 178.00 179.59 1wuy h HIS 477 N 0.47 0.00 -0.08 1.56 2.07 -1.94 -2.92 115.15 114.31 1wuy h HIS 477 Ca 0.17 0.00 -0.17 0.00 -2.85 0.00 0.00 60.37 57.51 1wuy h HIS 477 Cb 0.08 0.00 -0.01 0.00 2.57 0.00 0.00 27.41 30.05 1wuy h HIS 477 CO -0.00 0.00 -0.69 0.87 -3.07 0.00 0.00 177.93 175.04 1wuy h LYS 478 N 0.00 0.38 -6.37 5.12 1.57 -1.74 -3.45 116.57 112.08 1wuy h LYS 478 Ca 0.00 -0.29 -0.55 0.00 -1.87 0.00 0.00 60.65 57.94 1wuy h LYS 478 Cb 0.01 0.06 -0.02 0.00 0.08 0.00 0.00 32.23 32.36 1wuy h LYS 478 CO -0.00 0.93 0.50 -0.06 -0.57 0.00 0.00 179.45 180.24 1wuy s PHE 479 N -3.67 3.52 0.32 -1.35 0.08 -1.10 -0.83 117.98 114.96 1wuy s PHE 479 Ca -0.05 1.54 0.06 0.00 0.12 0.00 0.00 56.93 58.60 1wuy s PHE 479 Cb 0.11 -3.23 -0.02 0.00 -0.57 0.00 0.00 43.02 39.31 1wuy s PHE 479 CO 0.83 -0.45 0.22 1.04 -0.10 0.00 0.00 175.22 176.77 1wuy n GLN 480 N 4.38 0.43 -4.17 0.44 6.02 -0.02 -4.95 117.38 119.51 1wuy n GLN 480 Ca 0.08 -3.06 -0.16 0.00 -0.01 0.00 0.00 57.00 53.85 1wuy n GLN 480 Cb 0.49 2.29 -0.13 0.00 1.02 0.00 0.00 30.24 33.91 1wuy n GLN 480 CO 0.00 0.00 0.00 1.21 -1.01 0.00 0.00 177.06 177.26 1wuy s ASN 481 N -3.16 0.97 -0.36 1.08 3.84 -1.26 -2.27 114.94 113.77 1wuy s ASN 481 Ca 0.32 -0.37 0.03 0.00 0.21 0.00 0.00 52.86 53.05 1wuy s ASN 481 Cb 0.02 -0.04 0.16 0.00 -0.55 0.00 0.00 41.25 40.83 1wuy s ASN 481 CO 0.22 -0.05 0.39 -0.54 -2.79 0.00 0.00 177.10 174.33 1wuy s LYS 482 N -0.96 0.62 0.26 0.43 -0.14 -1.01 -4.91 119.74 114.04 1wuy s LYS 482 Ca -0.03 -0.74 -0.31 0.00 -1.36 0.00 0.00 55.97 53.53 1wuy s LYS 482 Cb -0.07 -0.66 -0.12 0.00 -1.68 0.00 0.00 37.83 35.31 1wuy s LYS 482 CO 0.00 -1.18 1.63 2.41 -0.76 0.00 0.00 175.35 177.45 1wuy n THR 483 N 4.37 0.70 -0.42 2.17 -1.04 -1.26 -4.32 114.28 114.49 1wuy n THR 483 Ca 0.10 -0.17 -0.29 0.00 -2.04 0.00 0.00 64.05 61.65 1wuy n THR 483 Cb 0.46 -1.94 0.27 0.00 -1.82 0.00 0.00 70.33 67.30 1wuy n THR 483 CO 0.00 0.00 0.00 0.20 -0.64 0.00 0.00 175.07 174.63 1wuy s ASN 484 N 0.70 0.17 0.31 8.00 0.02 -0.26 -4.66 114.94 119.22 1wuy s ASN 484 Ca 0.68 1.38 -0.19 0.00 -1.02 0.00 0.00 52.86 53.71 1wuy s ASN 484 Cb -0.51 -2.11 0.05 0.00 0.02 0.00 0.00 41.25 38.70 1wuy s ASN 484 CO 0.44 -4.68 0.81 -0.83 0.02 0.00 0.00 177.10 172.85 1wuy s GLY 485 N -2.52 0.15 0.18 0.66 0.00 -1.26 -4.81 107.32 99.71 1wuy s GLY 485 Ca 0.69 -0.50 0.04 0.00 0.00 0.00 0.00 44.72 44.96 1wuy s GLY 485 CO 0.64 0.05 -0.07 -0.26 0.00 0.00 0.00 173.10 173.47 1wuy s ILE 486 N -2.90 1.17 -0.15 0.90 -4.36 -0.17 -4.51 121.20 111.17 1wuy s ILE 486 Ca 0.14 -2.06 -0.23 0.00 -0.26 0.00 0.00 60.65 58.24 1wuy s ILE 486 Cb -0.05 -2.05 -0.02 0.00 1.25 0.00 0.00 42.46 41.59 1wuy s ILE 486 CO 0.09 -0.57 0.73 0.28 0.24 0.00 0.00 174.94 175.70 1wuy s THR 487 N -3.33 4.97 -0.04 8.37 -1.32 -1.26 -0.35 115.64 122.68 1wuy s THR 487 Ca 0.22 1.43 0.31 0.00 -1.21 0.00 0.00 61.69 62.43 1wuy s THR 487 Cb 0.03 -4.04 0.33 0.00 -1.51 0.00 0.00 72.50 67.31 1wuy s THR 487 CO 0.04 0.11 1.92 1.55 -2.21 0.00 0.00 174.62 176.03 1wuy h PRO 488 N 7.24 0.00 0.26 7.08 0.13 -1.91 -1.51 132.00 143.28 1wuy h PRO 488 Ca -0.33 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.79 1wuy h PRO 488 Cb 1.15 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.28 1wuy h PRO 488 CO 0.79 0.00 -0.13 0.00 -0.23 0.00 0.00 178.00 178.44 1wuy h ARG 489 N 0.00 -0.34 -0.29 0.86 -0.00 -1.92 -2.10 114.38 110.60 1wuy h ARG 489 Ca 0.00 0.02 -0.13 0.00 -0.50 0.00 0.00 59.98 59.37 1wuy h ARG 489 Cb 0.33 0.08 -0.01 0.00 0.00 0.00 0.00 29.97 30.36 1wuy h ARG 489 CO 0.00 -0.23 -0.35 -0.09 0.00 0.00 0.00 179.97 179.30 1wuy h ARG 490 N -0.50 0.64 -0.60 0.04 2.43 -1.97 0.14 114.38 114.57 1wuy h ARG 490 Ca -0.04 -0.31 0.00 0.00 -0.81 0.00 0.00 59.98 58.83 1wuy h ARG 490 Cb 0.27 -0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.82 1wuy h ARG 490 CO 0.06 0.90 0.00 0.91 -1.51 0.00 0.00 179.97 180.33 1wuy n TRP 491 N -4.06 0.61 0.00 2.20 5.03 -0.57 -2.83 117.44 117.82 1wuy n TRP 491 Ca -0.01 -0.24 0.00 0.00 3.03 0.00 0.00 57.50 60.28 1wuy n TRP 491 Cb 0.49 -0.14 0.00 0.00 -1.03 0.00 0.00 31.31 30.63 1wuy n TRP 491 CO 0.00 0.00 0.00 -0.11 -0.03 0.00 0.00 177.69 177.55 1wuy n LEU 492 N 0.27 0.00 -0.26 -0.99 7.94 -0.82 -4.81 117.00 118.34 1wuy n LEU 492 Ca 0.10 0.00 0.03 0.00 -1.11 0.00 0.00 56.01 55.03 1wuy n LEU 492 Cb 0.45 0.22 0.16 0.00 0.53 0.00 0.00 43.42 44.78 1wuy n LEU 492 CO 0.10 -0.32 1.07 0.58 -1.11 0.00 0.00 177.39 177.70 1wuy h VAL 493 N 0.00 0.81 0.02 1.96 2.07 -1.24 0.72 116.25 120.58 1wuy h VAL 493 Ca 0.00 -0.20 -0.00 0.00 0.82 0.00 0.00 66.70 67.32 1wuy h VAL 493 Cb 0.00 0.16 0.00 0.00 -1.52 0.00 0.00 31.29 29.93 1wuy h VAL 493 CO 0.00 0.11 -0.01 0.25 0.02 0.00 0.00 177.57 177.94 1wuy h LEU 494 N 0.59 -0.02 0.00 2.57 6.46 -1.11 -3.21 115.31 120.59 1wuy h LEU 494 Ca 0.38 -0.67 -0.03 0.00 -0.12 0.00 0.00 57.88 57.44 1wuy h LEU 494 Cb 0.44 0.01 -0.00 0.00 -0.73 0.00 0.00 40.66 40.38 1wuy h LEU 494 CO -0.30 0.68 -0.69 0.00 -0.62 0.00 0.00 178.44 177.51 1wuy n ASN 496 N -2.88 0.85 -0.06 0.00 2.85 0.25 -4.87 115.26 111.40 1wuy n ASN 496 Ca 0.00 -2.86 -0.02 0.00 -0.11 0.00 0.00 54.58 51.59 1wuy n ASN 496 Cb 0.59 -0.64 0.23 0.00 1.24 0.00 0.00 39.78 41.20 1wuy n ASN 496 CO 0.00 0.00 0.00 1.55 -2.11 0.00 0.00 177.26 176.70 1wuy h PRO 497 N 3.87 0.67 -0.91 1.20 0.13 -1.61 -1.72 132.00 133.63 1wuy h PRO 497 Ca 0.09 -0.16 0.02 0.00 -0.87 0.00 0.00 66.00 65.09 1wuy h PRO 497 Cb 0.85 -0.09 -0.05 0.00 0.13 0.00 0.00 31.00 31.84 1wuy h PRO 497 CO 0.53 0.68 0.60 0.78 -0.23 0.00 0.00 178.00 180.35 1wuy h GLY 498 N 0.92 1.29 0.96 1.56 0.00 -1.90 0.17 103.07 106.06 1wuy h GLY 498 Ca 0.13 -0.46 -0.22 0.00 0.00 0.00 0.00 47.33 46.79 1wuy h GLY 498 CO 0.01 0.42 -0.87 -2.00 0.00 0.00 0.00 176.54 174.11 1wuy h LEU 499 N 1.18 0.69 -1.46 3.11 5.85 -1.87 -3.05 115.31 119.76 1wuy h LEU 499 Ca 0.35 -0.80 0.04 0.00 0.84 0.00 0.00 57.88 58.31 1wuy h LEU 499 Cb -0.06 -0.21 -0.03 0.00 0.37 0.00 0.00 40.66 40.72 1wuy h LEU 499 CO -0.09 1.40 0.41 0.00 -0.34 0.00 0.00 178.44 179.82 1wuy h ALA 500 N 0.30 1.71 0.06 1.25 0.00 -0.88 -2.23 119.26 119.47 1wuy h ALA 500 Ca -0.12 -0.03 -0.00 0.00 0.00 0.00 0.00 54.91 54.76 1wuy h ALA 500 Cb 1.58 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 19.18 1wuy h ALA 500 CO 0.17 0.22 -0.03 1.49 0.00 0.00 0.00 179.25 181.10 1wuy h GLU 501 N 0.69 -0.08 -0.10 0.00 4.57 -0.67 -1.31 114.58 117.69 1wuy h GLU 501 Ca 0.25 0.01 -0.04 0.00 -1.18 0.00 0.00 59.36 58.40 1wuy h GLU 501 Cb 0.13 0.02 -0.01 0.00 -0.16 0.00 0.00 28.75 28.73 1wuy h GLU 501 CO -0.07 0.32 -0.13 -0.84 -1.18 0.00 0.00 179.01 177.11 1wuy h ILE 502 N -0.49 1.15 -0.11 2.32 3.07 -1.41 1.00 117.51 123.04 1wuy h ILE 502 Ca -0.01 -0.67 -0.03 0.00 1.55 0.00 0.00 64.86 65.71 1wuy h ILE 502 Cb 0.43 1.22 -0.00 0.00 -0.27 0.00 0.00 36.82 38.19 1wuy h ILE 502 CO 0.01 0.20 -0.04 0.40 -1.05 0.00 0.00 178.15 177.68 1wuy h ILE 503 N 0.15 1.30 -0.37 0.16 2.04 -1.38 -3.05 117.51 116.36 1wuy h ILE 503 Ca 0.03 -1.01 -0.02 0.00 1.00 0.00 0.00 64.86 64.86 1wuy h ILE 503 Cb 0.32 1.75 -0.02 0.00 -0.74 0.00 0.00 36.82 38.13 1wuy h ILE 503 CO 0.02 0.29 0.15 0.00 0.00 0.00 0.00 178.15 178.61 1wuy h ALA 504 N 0.67 1.56 -0.53 1.87 0.00 -0.49 -1.26 119.26 121.09 1wuy h ALA 504 Ca 0.03 -0.10 0.10 0.00 0.00 0.00 0.00 54.91 54.94 1wuy h ALA 504 Cb 0.47 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 18.08 1wuy h ALA 504 CO 0.01 0.34 0.36 0.93 0.00 0.00 0.00 179.25 180.90 1wuy h GLU 505 N 0.53 0.26 0.01 0.00 5.08 -0.72 0.46 114.58 120.19 1wuy h GLU 505 Ca 0.13 -0.02 -0.39 0.00 -1.00 0.00 0.00 59.36 58.09 1wuy h GLU 505 Cb 0.11 -0.06 -0.06 0.00 0.50 0.00 0.00 28.75 29.24 1wuy h GLU 505 CO -0.01 0.17 -2.17 0.54 -1.00 0.00 0.00 179.01 176.54 1wuy n ARG 506 N -4.45 0.60 -0.11 2.33 5.12 -0.84 -4.74 116.66 114.57 1wuy n ARG 506 Ca 0.09 0.33 0.05 0.00 -1.93 0.00 0.00 57.85 56.39 1wuy n ARG 506 Cb 0.40 -1.58 0.11 0.00 -1.16 0.00 0.00 32.46 30.24 1wuy n ARG 506 CO 0.00 0.00 0.00 0.44 -1.93 0.00 0.00 177.63 176.14 1wuy n ILE 507 N -4.10 0.69 -1.37 0.55 -5.35 -0.53 -5.12 119.36 104.12 1wuy n ILE 507 Ca -0.46 -0.84 0.00 0.00 -0.27 0.00 0.00 62.75 61.17 1wuy n ILE 507 Cb 0.86 0.72 0.00 0.00 -1.74 0.00 0.00 39.64 39.49 1wuy n ILE 507 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1wuy n GLY 508 N 0.49 -2.25 0.00 3.28 0.00 0.15 -4.69 105.19 102.18 1wuy n GLY 508 Ca 0.09 -1.80 0.08 0.00 0.00 0.00 0.00 46.02 44.40 1wuy n GLY 508 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1wuy n GLU 509 N -0.11 1.20 0.20 1.61 1.02 -1.26 -4.07 120.64 119.23 1wuy n GLU 509 Ca 0.00 -0.02 0.17 0.00 -0.02 0.00 0.00 57.16 57.29 1wuy n GLU 509 Cb 0.00 -1.33 0.82 0.00 -0.02 0.00 0.00 31.44 30.91 1wuy n GLU 509 CO 0.00 0.00 0.00 0.93 1.18 0.00 0.00 177.13 179.24 1wuy h GLU 510 N 0.00 0.00 0.00 3.49 5.08 -1.97 -2.52 114.58 118.66 1wuy h GLU 510 Ca 0.00 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.35 1wuy h GLU 510 Cb 0.45 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.70 1wuy h GLU 510 CO 0.00 0.00 -0.03 0.10 -1.00 0.00 0.00 179.01 178.08 1wuy h TYR 511 N 0.00 0.00 -0.18 4.33 -0.00 -1.81 -2.79 116.97 116.52 1wuy h TYR 511 Ca 0.09 0.00 0.03 0.00 -0.00 0.00 0.00 58.73 58.85 1wuy h TYR 511 Cb 0.49 0.00 -0.01 0.00 -0.00 0.00 0.00 36.73 37.21 1wuy h TYR 511 CO 0.00 0.03 0.13 0.82 -0.00 0.00 0.00 178.16 179.14 1wuy h ILE 512 N 0.00 0.97 -0.05 -0.90 1.08 -1.80 -0.71 117.51 116.09 1wuy h ILE 512 Ca -0.00 -0.04 0.00 0.00 -0.39 0.00 0.00 64.86 64.43 1wuy h ILE 512 Cb 0.31 0.85 0.00 0.00 -3.07 0.00 0.00 36.82 34.91 1wuy h ILE 512 CO 0.00 0.02 0.00 -1.54 -0.69 0.00 0.00 178.15 175.94 1wuy n SER 513 N -4.50 2.42 -2.88 1.72 3.41 -1.12 -4.66 113.62 108.01 1wuy n SER 513 Ca 0.01 -2.59 -0.12 0.00 -0.26 0.00 0.00 58.87 55.90 1wuy n SER 513 Cb 0.19 -0.27 0.04 0.00 -0.26 0.00 0.00 64.21 63.91 1wuy n SER 513 CO 0.00 0.00 0.00 -0.67 -0.16 0.00 0.00 175.04 174.21 1wuy n ASP 514 N -0.85 -1.64 0.05 4.04 4.64 -0.58 -5.02 116.55 117.20 1wuy n ASP 514 Ca 0.10 -3.33 0.21 0.00 -1.38 0.00 0.00 54.79 50.40 1wuy n ASP 514 Cb 0.50 1.12 0.67 0.00 -1.04 0.00 0.00 41.12 42.37 1wuy n ASP 514 CO 0.00 0.00 0.00 -0.07 -0.82 0.00 0.00 177.20 176.31 1wuy h LEU 515 N 3.44 0.00 -1.98 -2.67 3.38 -1.45 -1.67 115.31 114.36 1wuy h LEU 515 Ca -0.06 0.00 0.08 0.00 0.09 0.00 0.00 57.88 58.00 1wuy h LEU 515 Cb 1.03 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.76 1wuy h LEU 515 CO 0.30 0.00 0.22 0.44 0.09 0.00 0.00 178.44 179.49 1wuy h ASP 516 N 0.00 0.02 0.04 -0.43 3.32 -1.85 -0.67 116.42 116.85 1wuy h ASP 516 Ca 0.24 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.29 1wuy h ASP 516 Cb 1.46 -0.00 0.00 0.00 0.22 0.00 0.00 39.33 41.01 1wuy h ASP 516 CO -0.00 0.01 0.00 0.00 -1.72 0.00 0.00 179.24 177.53 1wuy n GLN 517 N -4.45 0.00 0.31 3.56 6.02 -0.63 -2.01 117.38 120.18 1wuy n GLN 517 Ca 0.04 0.48 0.19 0.00 -0.01 0.00 0.00 57.00 57.71 1wuy n GLN 517 Cb 0.37 -1.51 0.97 0.00 1.02 0.00 0.00 30.24 31.09 1wuy n GLN 517 CO 0.00 0.00 0.00 1.25 -1.01 0.00 0.00 177.06 177.30 1wuy h LEU 518 N 0.00 0.00 -1.70 1.08 5.85 -1.35 -1.86 115.31 117.33 1wuy h LEU 518 Ca 0.00 0.00 0.07 0.00 0.84 0.00 0.00 57.88 58.79 1wuy h LEU 518 Cb 0.02 0.00 -0.03 0.00 0.37 0.00 0.00 40.66 41.02 1wuy h LEU 518 CO 0.00 0.02 0.32 0.03 -0.34 0.00 0.00 178.44 178.47 1wuy h ARG 519 N 0.00 0.36 -0.11 1.25 3.08 -0.98 0.15 114.38 118.13 1wuy h ARG 519 Ca -0.00 -0.02 0.03 0.00 0.07 0.00 0.00 59.98 60.06 1wuy h ARG 519 Cb 0.21 -0.08 -0.00 0.00 0.08 0.00 0.00 29.97 30.17 1wuy h ARG 519 CO 0.00 0.24 0.29 0.87 -1.07 0.00 0.00 179.97 180.30 1wuy h LYS 520 N 0.37 0.00 0.00 0.04 1.57 -1.58 0.26 116.57 117.22 1wuy h LYS 520 Ca 0.21 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.99 1wuy h LYS 520 Cb 0.36 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.67 1wuy h LYS 520 CO -0.05 0.00 0.00 -0.07 -0.57 0.00 0.00 179.45 178.76 1wuy h LEU 521 N 0.00 0.00 -1.46 2.94 3.38 -1.15 -2.95 115.31 116.07 1wuy h LEU 521 Ca 0.05 0.00 0.03 0.00 0.09 0.00 0.00 57.88 58.05 1wuy h LEU 521 Cb 0.64 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.36 1wuy h LEU 521 CO -0.00 0.00 0.40 -0.07 0.09 0.00 0.00 178.44 178.86 1wuy h LEU 522 N 0.00 0.61 -0.00 1.67 4.07 -0.64 -1.63 115.31 119.39 1wuy h LEU 522 Ca 0.00 -0.01 0.00 0.00 0.08 0.00 0.00 57.88 57.95 1wuy h LEU 522 Cb 0.44 -0.14 0.00 0.00 1.08 0.00 0.00 40.66 42.04 1wuy h LEU 522 CO 0.00 0.42 0.00 -1.54 -1.08 0.00 0.00 178.44 176.24 1wuy n SER 523 N -4.46 0.00 0.00 -0.43 3.41 -1.11 -2.17 113.62 108.85 1wuy n SER 523 Ca 0.07 -1.47 0.00 0.00 -0.26 0.00 0.00 58.87 57.21 1wuy n SER 523 Cb 0.13 -0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.08 1wuy n SER 523 CO 0.00 0.00 0.00 -1.22 -0.16 0.00 0.00 175.04 173.66 1wuy n TYR 524 N -0.50 0.00 0.27 7.33 4.01 -0.61 -4.70 117.16 122.95 1wuy n TYR 524 Ca 0.00 -0.32 0.16 0.00 -0.16 0.00 0.00 57.90 57.58 1wuy n TYR 524 Cb 0.00 -0.03 0.90 0.00 -0.31 0.00 0.00 39.34 39.90 1wuy n TYR 524 CO 0.00 0.00 0.00 -0.24 -0.46 0.00 0.00 176.86 176.16 1wuy h VAL 525 N 0.40 0.47 -0.29 -0.72 3.04 -1.48 0.05 116.25 117.71 1wuy h VAL 525 Ca 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.69 1wuy h VAL 525 Cb 0.46 0.93 0.00 0.00 -2.01 0.00 0.00 31.29 30.68 1wuy h VAL 525 CO 0.00 0.00 0.00 0.47 -1.01 0.00 0.00 177.57 177.03 1wuy n ASP 526 N -3.77 2.76 -4.66 3.17 10.43 -1.26 -4.88 116.55 118.33 1wuy n ASP 526 Ca -0.01 -1.90 -0.43 0.00 2.57 0.00 0.00 54.79 55.02 1wuy n ASP 526 Cb 0.18 -0.19 -0.02 0.00 1.84 0.00 0.00 41.12 42.92 1wuy n ASP 526 CO 0.00 0.00 0.00 -0.62 -1.07 0.00 0.00 177.20 175.51 1wuy s ASP 527 N -0.99 6.94 0.25 -2.24 3.68 0.00 -4.92 116.67 119.38 1wuy s ASP 527 Ca 0.22 1.74 -0.04 0.00 2.13 0.00 0.00 52.55 56.60 1wuy s ASP 527 Cb 0.12 -2.54 0.28 0.00 -1.45 0.00 0.00 42.92 39.33 1wuy s ASP 527 CO 0.16 -0.75 1.76 -0.08 0.13 0.00 0.00 175.17 176.38 1wuy h GLU 528 N 8.21 0.92 -0.08 4.34 4.57 -1.93 -1.84 114.58 128.76 1wuy h GLU 528 Ca -0.28 -0.22 -0.03 0.00 -1.18 0.00 0.00 59.36 57.65 1wuy h GLU 528 Cb 1.11 -0.12 -0.00 0.00 -0.16 0.00 0.00 28.75 29.58 1wuy h GLU 528 CO 0.96 0.85 -0.05 0.00 -1.18 0.00 0.00 179.01 179.59 1wuy h ALA 529 N 1.22 0.12 -0.06 2.92 0.00 -1.95 -2.75 119.26 118.76 1wuy h ALA 529 Ca 0.18 -0.26 0.00 0.00 0.00 0.00 0.00 54.91 54.83 1wuy h ALA 529 Cb 0.39 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.15 1wuy h ALA 529 CO 0.01 -0.10 0.02 0.35 0.00 0.00 0.00 179.25 179.53 1wuy h PHE 530 N -0.21 0.04 -0.74 0.00 -0.00 -1.86 -0.49 116.94 113.68 1wuy h PHE 530 Ca 0.02 0.00 0.13 0.00 -0.00 0.00 0.00 57.97 58.12 1wuy h PHE 530 Cb 0.52 -0.01 -0.09 0.00 -0.00 0.00 0.00 35.95 36.37 1wuy h PHE 530 CO 0.08 0.02 0.29 0.82 -0.00 0.00 0.00 178.31 179.52 1wuy h ILE 531 N 0.06 0.68 -0.51 1.41 2.04 -1.39 0.19 117.51 119.98 1wuy h ILE 531 Ca 0.02 -0.15 -0.08 0.00 1.00 0.00 0.00 64.86 65.66 1wuy h ILE 531 Cb 0.01 0.19 -0.02 0.00 -0.74 0.00 0.00 36.82 36.26 1wuy h ILE 531 CO -0.02 0.08 0.01 -0.09 0.00 0.00 0.00 178.15 178.12 1wuy h ARG 532 N 0.44 0.86 0.19 2.37 2.43 -1.13 -2.46 114.38 117.08 1wuy h ARG 532 Ca 0.40 -0.24 -0.01 0.00 -0.81 0.00 0.00 59.98 59.32 1wuy h ARG 532 Cb 0.59 -0.10 0.00 0.00 -0.42 0.00 0.00 29.97 30.04 1wuy h ARG 532 CO -0.39 0.85 -0.09 -0.44 -1.51 0.00 0.00 179.97 178.39 1wuy h ASP 533 N 0.80 -0.22 -0.76 -3.80 3.32 0.60 -1.48 116.42 114.88 1wuy h ASP 533 Ca 0.15 -0.31 0.15 0.00 0.02 0.00 0.00 57.03 57.05 1wuy h ASP 533 Cb 0.47 0.06 -0.10 0.00 0.22 0.00 0.00 39.33 39.98 1wuy h ASP 533 CO 0.02 0.25 0.29 0.58 -1.72 0.00 0.00 179.24 178.66 1wuy h VAL 534 N -0.76 0.62 0.00 -1.35 2.07 -0.75 0.21 116.25 116.29 1wuy h VAL 534 Ca -0.03 -0.14 -0.07 0.00 0.82 0.00 0.00 66.70 67.28 1wuy h VAL 534 Cb 0.51 0.17 -0.01 0.00 -1.52 0.00 0.00 31.29 30.44 1wuy h VAL 534 CO 0.04 0.08 -0.36 0.00 0.02 0.00 0.00 177.57 177.35 1wuy h ALA 535 N 1.57 1.18 -0.05 1.67 0.00 -1.44 -2.83 119.26 119.36 1wuy h ALA 535 Ca 0.42 -0.32 -0.17 0.00 0.00 0.00 0.00 54.91 54.84 1wuy h ALA 535 Cb 0.67 -0.06 0.01 0.00 0.00 0.00 0.00 17.79 18.41 1wuy h ALA 535 CO -0.43 0.44 -0.63 -0.22 0.00 0.00 0.00 179.25 178.42 1wuy h LYS 536 N 0.00 0.52 -0.48 0.00 3.64 0.45 -2.56 116.57 118.15 1wuy h LYS 536 Ca -0.00 -0.49 -0.08 0.00 -1.27 0.00 0.00 60.65 58.81 1wuy h LYS 536 Cb 0.74 0.12 -0.02 0.00 -0.41 0.00 0.00 32.23 32.66 1wuy h LYS 536 CO 0.05 1.12 -0.01 -0.39 -2.27 0.00 0.00 179.45 177.95 1wuy h VAL 537 N 0.10 1.24 -0.59 2.00 -1.51 -1.11 -0.16 116.25 116.22 1wuy h VAL 537 Ca -0.06 -1.03 -0.05 0.00 -1.23 0.00 0.00 66.70 64.33 1wuy h VAL 537 Cb 1.30 0.89 -0.03 0.00 -2.13 0.00 0.00 31.29 31.32 1wuy h VAL 537 CO 0.13 0.36 0.16 0.50 -1.23 0.00 0.00 177.57 177.49 1wuy h LYS 538 N 0.75 0.91 -0.31 5.19 1.63 -1.54 0.29 116.57 123.48 1wuy h LYS 538 Ca 0.14 -0.18 -0.15 0.00 -0.85 0.00 0.00 60.65 59.61 1wuy h LYS 538 Cb 0.47 -0.14 -0.01 0.00 -0.60 0.00 0.00 32.23 31.96 1wuy h LYS 538 CO 0.02 0.80 -0.40 0.37 -3.45 0.00 0.00 179.45 176.79 1wuy h GLN 539 N 0.87 0.76 -0.30 1.90 5.75 -0.97 -1.74 115.11 121.38 1wuy h GLN 539 Ca 0.19 -0.40 -0.13 0.00 -0.15 0.00 0.00 58.65 58.17 1wuy h GLN 539 Cb 0.29 0.01 -0.01 0.00 1.07 0.00 0.00 27.48 28.84 1wuy h GLN 539 CO -0.00 1.02 -0.33 0.93 -2.65 0.00 0.00 178.83 177.80 1wuy h GLU 540 N 0.62 0.66 -0.61 1.69 5.08 -0.61 -2.19 114.58 119.22 1wuy h GLU 540 Ca 0.05 -0.31 -0.08 0.00 -1.00 0.00 0.00 59.36 58.03 1wuy h GLU 540 Cb 0.95 -0.01 -0.02 0.00 0.50 0.00 0.00 28.75 30.17 1wuy h GLU 540 CO 0.09 0.90 0.09 -0.91 -1.00 0.00 0.00 179.01 178.17 1wuy h ASN 541 N 0.56 0.99 0.07 1.42 2.35 -0.80 -2.01 115.58 118.16 1wuy h ASN 541 Ca 0.06 -0.27 -0.11 0.00 -0.55 0.00 0.00 56.30 55.43 1wuy h ASN 541 Cb 0.84 -0.26 -0.01 0.00 0.05 0.00 0.00 38.32 38.93 1wuy h ASN 541 CO 0.07 1.01 -0.37 0.11 -1.65 0.00 0.00 177.43 176.60 1wuy h LYS 542 N 0.93 0.41 -0.31 0.81 1.57 -1.19 -1.55 116.57 117.25 1wuy h LYS 542 Ca 0.18 -0.19 -0.17 0.00 -1.87 0.00 0.00 60.65 58.61 1wuy h LYS 542 Cb 0.45 -0.01 -0.00 0.00 0.08 0.00 0.00 32.23 32.75 1wuy h LYS 542 CO 0.01 0.72 -0.47 -0.07 -0.57 0.00 0.00 179.45 179.07 1wuy h LEU 543 N 0.35 0.90 -0.42 2.94 3.38 -1.24 -0.67 115.31 120.54 1wuy h LEU 543 Ca 0.04 -0.45 -0.11 0.00 0.09 0.00 0.00 57.88 57.45 1wuy h LEU 543 Cb 0.80 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 41.29 1wuy h LEU 543 CO 0.06 1.22 -0.16 0.50 0.09 0.00 0.00 178.44 180.16 1wuy h LYS 544 N 0.65 0.85 -0.45 1.13 3.11 -1.24 -1.68 116.57 118.94 1wuy h LYS 544 Ca 0.03 -0.35 -0.13 0.00 -2.81 0.00 0.00 60.65 57.39 1wuy h LYS 544 Cb 1.06 -0.03 -0.01 0.00 -1.00 0.00 0.00 32.23 32.24 1wuy h LYS 544 CO 0.11 0.99 -0.23 0.35 -2.81 0.00 0.00 179.45 177.85 1wuy h PHE 545 N 0.67 1.10 -0.25 1.91 3.57 -1.25 0.08 116.94 122.77 1wuy h PHE 545 Ca 0.10 -0.28 -0.02 0.00 3.53 0.00 0.00 57.97 61.30 1wuy h PHE 545 Cb 0.71 -0.25 -0.01 0.00 2.79 0.00 0.00 35.95 39.18 1wuy h PHE 545 CO 0.05 1.09 0.05 0.00 -2.23 0.00 0.00 178.31 177.28 1wuy h ALA 546 N 0.84 1.63 -0.00 2.41 0.00 -1.03 0.58 119.26 123.69 1wuy h ALA 546 Ca 0.10 -0.11 -0.00 0.00 0.00 0.00 0.00 54.91 54.89 1wuy h ALA 546 Cb 0.81 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.49 1wuy h ALA 546 CO 0.07 0.28 -0.02 0.00 0.00 0.00 0.00 179.25 179.58 1wuy h ALA 547 N 1.71 0.00 -0.95 0.00 0.00 -1.02 -3.10 119.26 115.90 1wuy h ALA 547 Ca 0.09 -0.37 0.16 0.00 0.00 0.00 0.00 54.91 54.79 1wuy h ALA 547 Cb 0.15 0.00 -0.08 0.00 0.00 0.00 0.00 17.79 17.86 1wuy h ALA 547 CO -0.00 -0.12 0.60 -0.92 0.00 0.00 0.00 179.25 178.81 1wuy h TYR 548 N -0.70 0.92 -0.60 0.00 5.03 -0.54 0.93 116.97 122.01 1wuy h TYR 548 Ca -0.00 0.03 0.02 0.00 2.58 0.00 0.00 58.73 61.36 1wuy h TYR 548 Cb 0.74 -0.28 -0.04 0.00 1.55 0.00 0.00 36.73 38.70 1wuy h TYR 548 CO 0.18 0.29 0.37 1.25 -1.32 0.00 0.00 178.16 178.93 1wuy h LEU 549 N 0.73 0.61 -0.13 2.82 5.85 -0.86 -1.60 115.31 122.73 1wuy h LEU 549 Ca 0.50 -0.00 -0.23 0.00 0.84 0.00 0.00 57.88 59.00 1wuy h LEU 549 Cb 0.81 -0.13 -0.00 0.00 0.37 0.00 0.00 40.66 41.70 1wuy h LEU 549 CO -0.27 0.43 -0.99 -0.33 -0.34 0.00 0.00 178.44 176.94 1wuy h GLU 550 N 0.74 0.28 0.27 1.25 5.08 -1.17 0.11 114.58 121.15 1wuy h GLU 550 Ca 0.24 -0.35 -0.01 0.00 -1.00 0.00 0.00 59.36 58.24 1wuy h GLU 550 Cb -0.00 0.11 -0.00 0.00 0.50 0.00 0.00 28.75 29.35 1wuy h GLU 550 CO -0.09 1.07 -0.17 0.00 -1.00 0.00 0.00 179.01 178.83 1wuy h ARG 551 N 0.14 -0.40 0.00 2.33 3.08 -0.54 -2.45 114.38 116.54 1wuy h ARG 551 Ca -0.08 0.03 -0.02 0.00 0.07 0.00 0.00 59.98 59.98 1wuy h ARG 551 Cb 1.65 0.09 -0.00 0.00 0.08 0.00 0.00 29.97 31.79 1wuy h ARG 551 CO 0.16 -0.27 -0.77 0.93 -1.07 0.00 0.00 179.97 178.96 1wuy h GLU 552 N -0.41 0.00 0.00 0.04 3.07 -1.45 -3.40 114.58 112.43 1wuy h GLU 552 Ca -0.04 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.82 1wuy h GLU 552 Cb 0.33 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.24 1wuy h GLU 552 CO 0.04 0.06 -0.92 0.66 -1.40 0.00 0.00 179.01 177.45 1wuy n TYR 553 N -2.84 0.00 -2.61 4.33 4.01 -0.50 -5.09 117.16 114.47 1wuy n TYR 553 Ca 0.00 0.00 -0.03 0.00 -0.16 0.00 0.00 57.90 57.71 1wuy n TYR 553 Cb 0.59 0.00 -0.02 0.00 -0.31 0.00 0.00 39.34 39.59 1wuy n TYR 553 CO 0.00 0.00 0.00 1.63 -0.46 0.00 0.00 176.86 178.03 1wuy n LYS 554 N -1.38 -3.41 0.00 -0.72 5.02 0.28 -4.94 118.16 113.00 1wuy n LYS 554 Ca 0.00 2.60 0.00 0.00 -2.02 0.00 0.00 58.31 58.89 1wuy n LYS 554 Cb 0.00 -3.44 0.00 0.00 -0.02 0.00 0.00 35.03 31.57 1wuy n LYS 554 CO 0.00 0.00 0.00 1.33 -0.52 0.00 0.00 177.40 178.21 1wuy n VAL 555 N 1.99 0.00 -0.79 -0.18 0.24 -1.26 -4.99 118.33 113.34 1wuy n VAL 555 Ca -0.19 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.11 1wuy n VAL 555 Cb 0.29 0.00 0.00 0.00 -1.47 0.00 0.00 33.84 32.66 1wuy n VAL 555 CO 0.00 0.00 0.00 1.57 -2.14 0.00 0.00 176.83 176.26 1wuy n HIS 556 N 0.00 0.00 -3.71 6.34 -0.00 -1.26 -5.07 115.22 111.52 1wuy n HIS 556 Ca 0.00 0.00 -0.10 0.00 0.46 0.00 0.00 57.72 58.08 1wuy n HIS 556 Cb 0.00 -0.05 -0.05 0.00 -0.12 0.00 0.00 29.99 29.77 1wuy n HIS 556 CO 0.00 0.00 0.00 0.96 0.46 0.00 0.00 176.34 177.76 1wuy s ILE 557 N -3.07 0.09 -0.38 3.57 -4.36 -1.26 -5.08 121.20 110.70 1wuy s ILE 557 Ca 0.00 -0.77 -0.14 0.00 -0.26 0.00 0.00 60.65 59.47 1wuy s ILE 557 Cb 0.00 -1.26 0.00 0.00 1.25 0.00 0.00 42.46 42.45 1wuy s ILE 557 CO 0.00 -0.39 0.30 0.21 0.24 0.00 0.00 174.94 175.30 1wuy s ASN 558 N -2.83 6.11 0.00 4.36 2.47 -1.26 -4.96 114.94 118.84 1wuy s ASN 558 Ca 0.04 -0.61 0.15 0.00 0.42 0.00 0.00 52.86 52.87 1wuy s ASN 558 Cb 0.03 -2.16 0.89 0.00 -1.45 0.00 0.00 41.25 38.55 1wuy s ASN 558 CO -0.11 -0.37 1.35 -2.65 -3.72 0.00 0.00 177.10 171.61 1wuy n PRO 559 N 5.22 0.42 0.00 0.43 -0.02 -1.26 -2.26 135.00 137.53 1wuy n PRO 559 Ca -0.11 0.03 0.10 0.00 -2.02 0.00 0.00 63.50 61.51 1wuy n PRO 559 Cb 0.48 -1.50 -0.04 0.00 -0.02 0.00 0.00 33.50 32.42 1wuy n PRO 559 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 1wuy n ASN 560 N -1.06 1.06 -4.87 2.55 5.03 -1.26 -4.89 115.26 111.82 1wuy n ASN 560 Ca 0.11 -0.96 -0.28 0.00 0.87 0.00 0.00 54.58 54.32 1wuy n ASN 560 Cb 0.07 0.81 0.09 0.00 -1.02 0.00 0.00 39.78 39.73 1wuy n ASN 560 CO 0.00 0.00 0.00 -0.94 -1.83 0.00 0.00 177.26 174.49 1wuy s SER 561 N -2.93 4.50 -0.05 6.41 1.04 -0.96 -4.95 113.70 116.76 1wuy s SER 561 Ca 0.10 0.68 -0.30 0.00 0.48 0.00 0.00 55.95 56.91 1wuy s SER 561 Cb 0.17 -1.18 -0.02 0.00 0.10 0.00 0.00 66.02 65.08 1wuy s SER 561 CO 0.80 -1.89 1.00 -0.22 0.98 0.00 0.00 173.24 173.91 1wuy s LEU 562 N -5.52 4.31 -0.69 2.42 0.20 -0.05 -4.82 118.68 114.52 1wuy s LEU 562 Ca 0.62 1.60 -0.21 0.00 0.69 0.00 0.00 54.13 56.84 1wuy s LEU 562 Cb -0.11 -3.56 0.09 0.00 -0.43 0.00 0.00 46.19 42.18 1wuy s LEU 562 CO 0.48 -0.35 0.93 -0.36 -0.29 0.00 0.00 176.35 176.76 1wuy s PHE 563 N 1.49 2.84 -0.64 5.38 2.99 -1.26 -0.05 117.98 128.73 1wuy s PHE 563 Ca 0.50 -0.82 -0.20 0.00 0.00 0.00 0.00 56.93 56.42 1wuy s PHE 563 Cb -0.20 -4.22 0.10 0.00 0.00 0.00 0.00 43.02 38.70 1wuy s PHE 563 CO 0.23 -1.53 0.80 0.34 -0.00 0.00 0.00 175.22 175.06 1wuy s ASP 564 N 3.65 6.23 -0.02 1.36 3.68 -0.00 -1.77 116.67 129.79 1wuy s ASP 564 Ca 0.21 -1.40 0.08 0.00 2.13 0.00 0.00 52.55 53.57 1wuy s ASP 564 Cb -0.16 -2.34 -0.02 0.00 -1.45 0.00 0.00 42.92 38.95 1wuy s ASP 564 CO 0.05 -1.18 -0.25 0.68 0.13 0.00 0.00 175.17 174.60 1wuy s VAL 565 N 2.97 2.00 -0.28 1.11 -7.23 -0.70 0.54 120.40 118.81 1wuy s VAL 565 Ca 0.16 -1.08 -0.00 0.00 -1.81 0.00 0.00 61.98 59.25 1wuy s VAL 565 Cb -0.21 -1.66 0.08 0.00 0.56 0.00 0.00 36.38 35.16 1wuy s VAL 565 CO 0.06 0.56 0.05 -1.58 -0.31 0.00 0.00 175.10 173.88 1wuy s GLN 566 N -0.58 1.03 -0.17 4.82 0.74 0.13 -2.12 119.66 123.51 1wuy s GLN 566 Ca 0.09 -1.08 0.00 0.00 0.05 0.00 0.00 55.36 54.42 1wuy s GLN 566 Cb -0.10 -2.33 0.03 0.00 1.10 0.00 0.00 33.01 31.72 1wuy s GLN 566 CO -0.01 -0.84 -0.11 0.14 -0.55 0.00 0.00 175.29 173.92 1wuy s VAL 567 N 1.49 1.50 -0.01 1.34 -7.23 -1.26 -1.62 120.40 114.60 1wuy s VAL 567 Ca 0.05 -0.77 -0.30 0.00 -1.81 0.00 0.00 61.98 59.15 1wuy s VAL 567 Cb -0.18 -1.52 0.11 0.00 0.56 0.00 0.00 36.38 35.36 1wuy s VAL 567 CO -0.16 0.28 1.29 -1.59 -0.31 0.00 0.00 175.10 174.61 1wuy s LYS 568 N 1.49 0.40 0.71 4.82 0.00 -0.94 -4.99 119.74 121.22 1wuy s LYS 568 Ca 0.02 -0.23 -0.16 0.00 0.00 0.00 0.00 55.97 55.59 1wuy s LYS 568 Cb -0.15 0.13 0.02 0.00 0.00 0.00 0.00 37.83 37.83 1wuy s LYS 568 CO -0.09 -0.18 1.22 0.54 0.00 0.00 0.00 175.35 176.83 1wuy n ARG 569 N -0.61 0.73 -2.72 1.78 5.12 -1.26 -3.92 116.66 115.77 1wuy n ARG 569 Ca -0.05 0.31 -0.43 0.00 -1.93 0.00 0.00 57.85 55.76 1wuy n ARG 569 Cb 0.62 -2.46 -0.03 0.00 -1.16 0.00 0.00 32.46 29.43 1wuy n ARG 569 CO 0.00 0.00 0.00 0.42 -1.93 0.00 0.00 177.63 176.12 1wuy s ILE 570 N -1.68 4.74 0.00 0.55 -1.09 -0.61 -4.87 121.20 118.24 1wuy s ILE 570 Ca 0.78 1.93 -0.12 0.00 -2.23 0.00 0.00 60.65 61.02 1wuy s ILE 570 Cb -0.35 -4.27 0.01 0.00 -1.58 0.00 0.00 42.46 36.28 1wuy s ILE 570 CO 0.45 -0.12 0.24 -1.00 -1.23 0.00 0.00 174.94 173.28 1wuy s HIS 571 N 2.87 -0.07 0.20 3.97 3.76 -1.26 -4.74 115.29 120.02 1wuy s HIS 571 Ca 0.43 0.05 -0.06 0.00 -0.15 0.00 0.00 55.06 55.33 1wuy s HIS 571 Cb -0.16 0.03 0.15 0.00 1.11 0.00 0.00 32.58 33.71 1wuy s HIS 571 CO 0.09 -0.37 1.63 0.93 -0.85 0.00 0.00 174.74 176.17 1wuy h GLU 572 N 3.92 0.87 0.00 1.40 5.08 -1.97 -2.84 114.58 121.03 1wuy h GLU 572 Ca -0.30 -0.33 -0.02 0.00 -1.00 0.00 0.00 59.36 57.70 1wuy h GLU 572 Cb 1.19 -0.05 -0.00 0.00 0.50 0.00 0.00 28.75 30.38 1wuy h GLU 572 CO 0.41 0.97 -0.11 0.10 -1.00 0.00 0.00 179.01 179.39 1wuy h TYR 573 N 0.77 0.00 0.00 4.33 -0.00 -1.97 -1.73 116.97 118.37 1wuy h TYR 573 Ca 0.11 0.00 0.00 0.00 0.00 0.00 0.00 58.73 58.84 1wuy h TYR 573 Cb 0.69 0.00 0.00 0.00 0.00 0.00 0.00 36.73 37.42 1wuy h TYR 573 CO 0.04 0.11 0.00 1.63 -0.00 0.00 0.00 178.16 179.94 1wuy n LYS 574 N -3.37 0.24 -3.65 0.10 4.76 -1.08 -2.98 118.16 112.17 1wuy n LYS 574 Ca -0.01 0.20 -0.22 0.00 -2.87 0.00 0.00 58.31 55.41 1wuy n LYS 574 Cb 0.29 -1.78 0.05 0.00 -1.84 0.00 0.00 35.03 31.75 1wuy n LYS 574 CO 0.00 0.00 0.00 0.54 -1.37 0.00 0.00 177.40 176.57 1wuy n ARG 575 N -2.20 -5.71 0.29 1.97 1.74 -0.65 -4.01 116.66 108.09 1wuy n ARG 575 Ca 0.06 0.69 0.16 0.00 -0.77 0.00 0.00 57.85 57.99 1wuy n ARG 575 Cb 0.42 -5.46 0.92 0.00 -1.02 0.00 0.00 32.46 27.32 1wuy n ARG 575 CO 0.00 0.00 0.00 1.96 -1.52 0.00 0.00 177.63 178.07 1wuy h GLN 576 N -1.98 0.00 -0.49 5.56 7.50 -1.83 0.12 115.11 123.98 1wuy h GLN 576 Ca -0.60 0.00 -0.08 0.00 0.50 0.00 0.00 58.65 58.47 1wuy h GLN 576 Cb 1.36 0.00 -0.02 0.00 0.05 0.00 0.00 27.48 28.87 1wuy h GLN 576 CO 0.56 0.00 -0.03 -0.07 -1.50 0.00 0.00 178.83 177.79 1wuy h LEU 577 N 0.00 0.81 -0.86 1.46 3.38 -1.89 -1.17 115.31 117.05 1wuy h LEU 577 Ca 0.01 -0.21 -0.07 0.00 0.09 0.00 0.00 57.88 57.70 1wuy h LEU 577 Cb 0.06 -0.22 -0.03 0.00 0.09 0.00 0.00 40.66 40.56 1wuy h LEU 577 CO -0.00 0.89 0.11 0.25 0.09 0.00 0.00 178.44 179.78 1wuy h LEU 578 N 0.77 0.91 -0.79 1.67 5.85 -1.13 -2.09 115.31 120.51 1wuy h LEU 578 Ca 0.14 -0.19 -0.03 0.00 0.84 0.00 0.00 57.88 58.64 1wuy h LEU 578 Cb 0.51 -0.24 -0.04 0.00 0.37 0.00 0.00 40.66 41.26 1wuy h LEU 578 CO 0.03 0.91 0.37 -1.13 -0.34 0.00 0.00 178.44 178.27 1wuy h ASN 579 N 0.91 1.04 -0.75 1.25 -0.00 -1.16 -2.76 115.58 114.11 1wuy h ASN 579 Ca 0.19 -0.14 0.00 0.00 -0.00 0.00 0.00 56.30 56.35 1wuy h ASN 579 Cb 0.38 -0.27 -0.04 0.00 -0.00 0.00 0.00 38.32 38.39 1wuy h ASN 579 CO 0.01 0.89 0.47 0.00 -0.00 0.00 0.00 177.43 178.80 1wuy h LEU 581 N 1.02 0.98 -0.30 0.00 3.38 -1.12 -0.79 115.31 118.49 1wuy h LEU 581 Ca 0.27 -0.05 -0.06 0.00 0.09 0.00 0.00 57.88 58.12 1wuy h LEU 581 Cb -0.07 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 40.42 1wuy h LEU 581 CO -0.05 0.75 -0.07 -0.74 0.09 0.00 0.00 178.44 178.42 1wuy h HIS 582 N 1.13 0.64 -0.72 1.13 2.76 -1.27 -1.13 115.15 117.70 1wuy h HIS 582 Ca 0.30 -0.14 0.03 0.00 -2.20 0.00 0.00 60.37 58.36 1wuy h HIS 582 Cb -0.05 -0.16 -0.05 0.00 1.55 0.00 0.00 27.41 28.70 1wuy h HIS 582 CO 0.00 0.76 0.45 0.28 -1.30 0.00 0.00 177.93 178.12 1wuy h VAL 583 N 0.34 1.09 -0.40 5.26 2.07 -0.78 -0.27 116.25 123.56 1wuy h VAL 583 Ca 0.08 -0.30 -0.11 0.00 0.82 0.00 0.00 66.70 67.19 1wuy h VAL 583 Cb 0.55 0.14 -0.02 0.00 -1.52 0.00 0.00 31.29 30.44 1wuy h VAL 583 CO 0.03 0.16 -0.19 0.40 0.02 0.00 0.00 177.57 177.98 1wuy h ILE 584 N 0.87 1.27 -0.17 4.57 2.04 -1.07 -2.28 117.51 122.75 1wuy h ILE 584 Ca 0.29 -1.29 0.00 0.00 1.00 0.00 0.00 64.86 64.86 1wuy h ILE 584 Cb 0.03 1.17 -0.01 0.00 -0.74 0.00 0.00 36.82 37.27 1wuy h ILE 584 CO -0.11 0.43 0.11 0.74 0.00 0.00 0.00 178.15 179.32 1wuy h THR 585 N 0.67 1.04 -0.44 -0.27 2.02 -0.37 0.04 112.91 115.61 1wuy h THR 585 Ca 0.10 -0.08 0.05 0.00 0.77 0.00 0.00 66.41 67.25 1wuy h THR 585 Cb 0.69 0.80 -0.05 0.00 -1.74 0.00 0.00 68.15 67.85 1wuy h THR 585 CO 0.05 0.04 0.17 -0.07 0.37 0.00 0.00 175.52 176.08 1wuy h LEU 586 N 0.22 0.20 -0.25 2.58 4.07 -0.90 -0.67 115.31 120.55 1wuy h LEU 586 Ca 0.06 0.04 0.02 0.00 0.08 0.00 0.00 57.88 58.08 1wuy h LEU 586 Cb -0.02 0.02 -0.02 0.00 1.08 0.00 0.00 40.66 41.72 1wuy h LEU 586 CO -0.02 0.15 0.13 0.22 -1.08 0.00 0.00 178.44 177.84 1wuy h TYR 587 N 0.35 0.23 -0.41 1.13 5.03 -1.05 -1.90 116.97 120.34 1wuy h TYR 587 Ca 0.20 0.01 -0.05 0.00 2.58 0.00 0.00 58.73 61.48 1wuy h TYR 587 Cb 0.18 -0.07 -0.02 0.00 1.55 0.00 0.00 36.73 38.37 1wuy h TYR 587 CO -0.14 0.13 0.06 -0.91 -1.32 0.00 0.00 178.16 175.98 1wuy h ASN 588 N 0.27 0.59 -0.20 -2.11 2.35 -0.49 -1.73 115.58 114.26 1wuy h ASN 588 Ca 0.10 -0.10 -0.14 0.00 -0.55 0.00 0.00 56.30 55.61 1wuy h ASN 588 Cb 0.03 -0.15 -0.01 0.00 0.05 0.00 0.00 38.32 38.24 1wuy h ASN 588 CO -0.07 0.61 -0.37 0.03 -1.65 0.00 0.00 177.43 175.99 1wuy h ARG 589 N 0.61 0.73 -0.51 0.81 3.08 -0.84 -2.11 114.38 116.14 1wuy h ARG 589 Ca 0.14 -0.36 -0.06 0.00 0.07 0.00 0.00 59.98 59.76 1wuy h ARG 589 Cb 0.29 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.32 1wuy h ARG 589 CO 0.00 0.98 0.07 0.82 -1.07 0.00 0.00 179.97 180.77 1wuy h ILE 590 N 0.60 1.25 -0.11 2.04 2.04 -0.96 -1.79 117.51 120.58 1wuy h ILE 590 Ca 0.06 -0.95 -0.06 0.00 1.00 0.00 0.00 64.86 64.91 1wuy h ILE 590 Cb 0.90 0.88 -0.01 0.00 -0.74 0.00 0.00 36.82 37.85 1wuy h ILE 590 CO 0.08 0.34 -0.20 0.11 0.00 0.00 0.00 178.15 178.49 1wuy h LYS 591 N 0.73 0.18 -0.08 2.37 1.79 -1.22 -0.74 116.57 119.60 1wuy h LYS 591 Ca 0.15 -0.05 -0.05 0.00 -2.18 0.00 0.00 60.65 58.52 1wuy h LYS 591 Cb 0.41 -0.02 0.00 0.00 -1.58 0.00 0.00 32.23 31.04 1wuy h LYS 591 CO 0.01 0.38 -0.16 -0.22 -1.08 0.00 0.00 179.45 178.39 1wuy h LYS 592 N 0.17 0.25 -2.83 3.15 1.63 -1.05 -3.38 116.57 114.51 1wuy h LYS 592 Ca 0.03 -0.16 -0.61 0.00 -0.85 0.00 0.00 60.65 59.06 1wuy h LYS 592 Cb 0.45 0.02 -0.41 0.00 -0.60 0.00 0.00 32.23 31.70 1wuy h LYS 592 CO 0.03 0.75 -0.72 -1.21 -3.45 0.00 0.00 179.45 174.85 1wuy s GLU 593 N -3.98 1.90 0.25 1.90 2.02 -0.70 -4.99 118.70 115.11 1wuy s GLU 593 Ca -0.15 -2.90 -0.04 0.00 0.02 0.00 0.00 54.97 51.91 1wuy s GLU 593 Cb 0.03 -2.71 0.38 0.00 0.10 0.00 0.00 34.13 31.94 1wuy s GLU 593 CO 0.74 -1.32 1.86 -1.35 0.02 0.00 0.00 175.26 175.21 1wuy h PRO 594 N 5.50 1.02 -0.84 0.39 0.11 -1.32 -2.92 132.00 133.93 1wuy h PRO 594 Ca 0.19 -0.06 -0.15 0.00 0.11 0.00 0.00 66.00 66.08 1wuy h PRO 594 Cb 0.81 -0.23 -0.09 0.00 0.11 0.00 0.00 31.00 31.60 1wuy h PRO 594 CO 0.59 0.67 0.19 0.09 -0.21 0.00 0.00 178.00 179.34 1wuy n ASN 595 N -4.58 3.89 -4.86 -2.05 4.13 -1.26 -4.87 115.26 105.66 1wuy n ASN 595 Ca 0.14 -2.82 -0.37 0.00 1.68 0.00 0.00 54.58 53.21 1wuy n ASN 595 Cb 0.20 -0.67 -0.06 0.00 -1.54 0.00 0.00 39.78 37.70 1wuy n ASN 595 CO 0.00 0.00 0.00 -0.75 0.28 0.00 0.00 177.26 176.79 1wuy s LYS 596 N -2.19 3.49 0.09 3.52 2.36 -1.10 -5.07 119.74 120.83 1wuy s LYS 596 Ca 0.37 -0.14 -0.30 0.00 -2.55 0.00 0.00 55.97 53.35 1wuy s LYS 596 Cb 0.30 -3.20 -0.06 0.00 -1.05 0.00 0.00 37.83 33.82 1wuy s LYS 596 CO 0.09 0.74 1.10 0.12 1.55 0.00 0.00 175.35 178.95 1wuy s PHE 597 N -0.91 3.56 0.02 4.03 5.36 -1.26 -5.04 117.98 123.75 1wuy s PHE 597 Ca 0.14 1.52 0.03 0.00 -0.96 0.00 0.00 56.93 57.66 1wuy s PHE 597 Cb -0.12 -3.28 -0.02 0.00 -0.34 0.00 0.00 43.02 39.26 1wuy s PHE 597 CO 0.03 -0.68 -0.09 0.14 -1.46 0.00 0.00 175.22 173.17 1wuy s VAL 598 N 0.58 0.65 0.06 3.12 -7.23 -1.26 -5.11 120.40 111.22 1wuy s VAL 598 Ca 0.54 -0.72 -0.31 0.00 -1.81 0.00 0.00 61.98 59.68 1wuy s VAL 598 Cb -0.27 -0.62 -0.08 0.00 0.56 0.00 0.00 36.38 35.96 1wuy s VAL 598 CO 0.31 -0.07 1.72 -0.69 -0.31 0.00 0.00 175.10 176.05 1wuy s VAL 599 N -0.73 2.99 0.44 1.32 1.01 -1.26 -4.94 120.40 119.23 1wuy s VAL 599 Ca -0.02 0.38 -0.25 0.00 0.00 0.00 0.00 61.98 62.09 1wuy s VAL 599 Cb -0.06 -3.24 -0.08 0.00 0.00 0.00 0.00 36.38 32.99 1wuy s VAL 599 CO 0.00 -0.01 1.33 -2.84 0.00 0.00 0.00 175.10 173.58 1wuy s PRO 600 N 2.97 3.78 0.01 2.72 0.02 -1.26 -4.93 135.00 138.31 1wuy s PRO 600 Ca 0.77 2.20 0.00 0.00 0.02 0.00 0.00 61.00 63.99 1wuy s PRO 600 Cb -0.41 -2.64 -0.01 0.00 0.02 0.00 0.00 34.50 31.46 1wuy s PRO 600 CO 0.34 -0.66 -0.03 1.03 -0.33 0.00 0.00 177.00 177.35 1wuy s ARG 601 N -2.41 0.22 -0.31 5.54 0.52 -0.51 -0.87 118.95 121.13 1wuy s ARG 601 Ca 0.60 -0.35 0.03 0.00 -0.52 0.00 0.00 55.73 55.49 1wuy s ARG 601 Cb -0.39 -0.02 0.09 0.00 0.52 0.00 0.00 34.95 35.15 1wuy s ARG 601 CO 0.49 -0.01 0.02 0.99 0.02 0.00 0.00 175.30 176.82 1wuy s THR 602 N -0.77 1.95 -0.22 0.02 2.01 0.92 -2.44 115.64 117.11 1wuy s THR 602 Ca -0.08 -1.96 -0.13 0.00 0.31 0.00 0.00 61.69 59.83 1wuy s THR 602 Cb -0.05 -2.36 -0.04 0.00 0.01 0.00 0.00 72.50 70.05 1wuy s THR 602 CO -0.00 -0.47 0.29 0.54 -0.69 0.00 0.00 174.62 174.29 1wuy s VAL 603 N 1.10 5.27 -0.18 3.82 0.11 -0.64 -0.82 120.40 129.06 1wuy s VAL 603 Ca 0.06 0.46 -0.01 0.00 -2.93 0.00 0.00 61.98 59.56 1wuy s VAL 603 Cb -0.19 -3.63 -0.00 0.00 -1.53 0.00 0.00 36.38 31.03 1wuy s VAL 603 CO -0.10 0.29 -0.11 -0.04 -3.33 0.00 0.00 175.10 171.80 1wuy s MET 604 N 1.26 3.30 -0.10 1.54 -1.94 0.19 -1.64 119.30 121.91 1wuy s MET 604 Ca 0.14 -0.69 0.04 0.00 -1.71 0.00 0.00 55.69 53.46 1wuy s MET 604 Cb -0.14 -2.77 -0.00 0.00 2.01 0.00 0.00 34.83 33.93 1wuy s MET 604 CO 0.07 -0.04 -0.23 0.42 -0.01 0.00 0.00 175.02 175.22 1wuy s ILE 605 N 1.01 2.11 0.05 2.53 1.01 -0.49 -0.69 121.20 126.73 1wuy s ILE 605 Ca -0.01 -1.00 -0.05 0.00 0.00 0.00 0.00 60.65 59.59 1wuy s ILE 605 Cb -0.15 -1.81 -0.02 0.00 0.01 0.00 0.00 42.46 40.50 1wuy s ILE 605 CO -0.02 0.56 0.08 -0.83 0.00 0.00 0.00 174.94 174.73 1wuy s GLY 606 N 0.34 0.23 0.00 6.18 0.00 -0.64 -0.20 107.32 113.23 1wuy s GLY 606 Ca -0.19 -0.73 0.00 0.00 0.00 0.00 0.00 44.72 43.80 1wuy s GLY 606 CO 0.09 -0.87 0.00 0.61 0.00 0.00 0.00 173.10 172.93 1wuy n GLY 607 N 0.45 3.88 3.83 0.20 0.00 -1.25 -2.22 105.19 110.07 1wuy n GLY 607 Ca -0.17 -1.08 -0.32 0.00 0.00 0.00 0.00 46.02 44.45 1wuy n GLY 607 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1wuy s LYS 608 N -2.63 3.17 -0.04 1.61 1.02 -1.26 -4.69 119.74 116.91 1wuy s LYS 608 Ca 0.00 -0.49 -0.00 0.00 0.02 0.00 0.00 55.97 55.50 1wuy s LYS 608 Cb 0.00 -2.91 -0.03 0.00 -0.52 0.00 0.00 37.83 34.36 1wuy s LYS 608 CO 0.00 0.63 0.01 0.00 -0.92 0.00 0.00 175.35 175.07 1wuy s ALA 609 N -1.33 3.32 0.34 5.17 0.00 -1.26 -1.57 121.76 126.42 1wuy s ALA 609 Ca 0.28 -0.88 -0.29 0.00 0.00 0.00 0.00 51.96 51.07 1wuy s ALA 609 Cb -0.12 -1.43 -0.11 0.00 0.00 0.00 0.00 23.12 21.46 1wuy s ALA 609 CO 0.20 0.63 1.45 0.00 0.00 0.00 0.00 175.76 178.03 1wuy s ALA 610 N -1.01 3.58 0.43 0.00 0.00 -1.26 -4.88 121.76 118.63 1wuy s ALA 610 Ca 0.17 1.46 0.23 0.00 0.00 0.00 0.00 51.96 53.82 1wuy s ALA 610 Cb -0.11 -3.57 1.21 0.00 0.00 0.00 0.00 23.12 20.64 1wuy s ALA 610 CO 0.07 -0.90 1.79 -1.35 0.00 0.00 0.00 175.76 175.37 1wuy h PRO 611 N 3.60 0.29 -0.01 0.00 0.11 -1.98 -1.06 132.00 132.93 1wuy h PRO 611 Ca -0.49 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.60 1wuy h PRO 611 Cb 1.23 -0.06 0.00 0.00 0.11 0.00 0.00 31.00 32.28 1wuy h PRO 611 CO 0.68 0.19 -0.18 0.41 -0.21 0.00 0.00 178.00 178.89 1wuy n GLY 612 N -1.54 -0.31 3.53 -0.55 0.00 -1.26 -4.74 105.19 100.30 1wuy n GLY 612 Ca 0.25 -0.44 -0.42 0.00 0.00 0.00 0.00 46.02 45.40 1wuy n GLY 612 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1wuy s TYR 613 N -2.32 2.84 0.13 1.61 6.04 -0.40 -4.88 117.35 120.35 1wuy s TYR 613 Ca 0.28 -1.28 -0.22 0.00 0.04 0.00 0.00 57.07 55.89 1wuy s TYR 613 Cb 0.20 -4.56 -0.02 0.00 -1.04 0.00 0.00 41.96 36.53 1wuy s TYR 613 CO 0.46 -1.74 1.67 1.25 -1.54 0.00 0.00 175.55 175.65 1wuy h HIS 614 N 8.81 -0.35 -0.40 4.97 -0.00 -1.85 -1.78 115.15 124.55 1wuy h HIS 614 Ca 0.25 0.02 0.05 0.00 -0.00 0.00 0.00 60.37 60.69 1wuy h HIS 614 Cb 0.97 0.18 -0.04 0.00 -0.00 0.00 0.00 27.41 28.51 1wuy h HIS 614 CO 1.26 -0.20 0.14 1.98 -0.00 0.00 0.00 177.93 181.11 1wuy h MET 615 N -0.17 0.30 -0.56 5.26 1.85 -1.98 -0.95 114.93 118.69 1wuy h MET 615 Ca 0.09 -0.02 0.04 0.00 -0.61 0.00 0.00 59.70 59.21 1wuy h MET 615 Cb 0.30 -0.07 -0.03 0.00 0.43 0.00 0.00 31.60 32.23 1wuy h MET 615 CO -0.23 0.20 0.37 0.00 -0.40 0.00 0.00 176.91 176.84 1wuy h ALA 616 N 1.26 1.76 0.00 0.39 0.00 -1.82 -0.71 119.26 120.14 1wuy h ALA 616 Ca 0.18 -0.02 -0.09 0.00 0.00 0.00 0.00 54.91 54.98 1wuy h ALA 616 Cb 0.16 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 1wuy h ALA 616 CO -0.19 0.17 -0.43 0.87 0.00 0.00 0.00 179.25 179.67 1wuy h LYS 617 N 0.60 0.00 -0.13 0.00 1.57 -0.47 -3.08 116.57 115.07 1wuy h LYS 617 Ca 0.23 0.00 -0.18 0.00 -1.87 0.00 0.00 60.65 58.83 1wuy h LYS 617 Cb 0.15 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.46 1wuy h LYS 617 CO -0.06 0.43 -0.66 0.52 -0.57 0.00 0.00 179.45 179.11 1wuy h MET 618 N 0.00 0.49 -0.31 3.15 2.86 0.15 -3.09 114.93 118.18 1wuy h MET 618 Ca -0.00 -0.36 -0.09 0.00 -2.06 0.00 0.00 59.70 57.18 1wuy h MET 618 Cb 1.16 0.06 -0.02 0.00 0.06 0.00 0.00 31.60 32.87 1wuy h MET 618 CO 0.06 0.98 -0.19 0.82 1.06 0.00 0.00 176.91 179.64 1wuy h ILE 619 N 0.35 1.26 -0.58 -1.22 2.04 -1.26 -1.80 117.51 116.30 1wuy h ILE 619 Ca -0.02 -1.21 -0.08 0.00 1.00 0.00 0.00 64.86 64.55 1wuy h ILE 619 Cb 1.22 1.23 -0.02 0.00 -0.74 0.00 0.00 36.82 38.51 1wuy h ILE 619 CO 0.12 0.39 0.04 0.40 0.00 0.00 0.00 178.15 179.10 1wuy h ILE 620 N 0.52 1.26 -0.18 -0.67 2.04 -1.50 -1.41 117.51 117.56 1wuy h ILE 620 Ca 0.08 -1.06 -0.11 0.00 1.00 0.00 0.00 64.86 64.78 1wuy h ILE 620 Cb 0.63 0.77 -0.01 0.00 -0.74 0.00 0.00 36.82 37.46 1wuy h ILE 620 CO 0.04 0.38 -0.36 0.50 0.00 0.00 0.00 178.15 178.72 1wuy h LYS 621 N 0.91 0.39 -0.15 2.37 1.63 -1.40 -2.28 116.57 118.03 1wuy h LYS 621 Ca 0.17 -0.18 -0.03 0.00 -0.85 0.00 0.00 60.65 59.77 1wuy h LYS 621 Cb 0.48 -0.01 -0.01 0.00 -0.60 0.00 0.00 32.23 32.09 1wuy h LYS 621 CO 0.02 0.70 -0.01 1.25 -3.45 0.00 0.00 179.45 177.96 1wuy h LEU 622 N 0.33 0.27 -0.12 5.20 6.46 -0.94 -0.60 115.31 125.91 1wuy h LEU 622 Ca 0.04 -0.32 0.03 0.00 -0.12 0.00 0.00 57.88 57.51 1wuy h LEU 622 Cb 0.79 -0.07 -0.04 0.00 -0.73 0.00 0.00 40.66 40.61 1wuy h LEU 622 CO 0.06 0.53 -0.10 0.40 -0.62 0.00 0.00 178.44 178.71 1wuy h ILE 623 N 0.00 0.71 0.00 4.05 2.04 -1.15 0.89 117.51 124.06 1wuy h ILE 623 Ca 0.04 0.00 -0.06 0.00 1.00 0.00 0.00 64.86 65.84 1wuy h ILE 623 Cb 0.39 0.71 -0.01 0.00 -0.74 0.00 0.00 36.82 37.18 1wuy h ILE 623 CO 0.01 0.00 -0.29 0.71 0.00 0.00 0.00 178.15 178.58 1wuy h THR 624 N -0.11 1.16 -0.28 -0.27 1.35 -1.39 -2.02 112.91 111.35 1wuy h THR 624 Ca 0.08 -1.01 -0.16 0.00 -0.55 0.00 0.00 66.41 64.77 1wuy h THR 624 Cb 0.23 1.55 -0.01 0.00 -1.73 0.00 0.00 68.15 68.19 1wuy h THR 624 CO -0.19 0.28 -0.48 0.00 -0.25 0.00 0.00 175.52 174.89 1wuy h ALA 625 N 1.71 0.63 -0.21 6.62 0.00 -0.27 -1.64 119.26 126.10 1wuy h ALA 625 Ca -0.00 -0.48 -0.03 0.00 0.00 0.00 0.00 54.91 54.40 1wuy h ALA 625 Cb 0.53 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.21 1wuy h ALA 625 CO 0.04 0.68 0.03 0.82 0.00 0.00 0.00 179.25 180.81 1wuy h ILE 626 N 0.59 1.23 -0.71 0.00 2.04 -0.49 -2.85 117.51 117.34 1wuy h ILE 626 Ca 0.03 -0.78 0.06 0.00 1.00 0.00 0.00 64.86 65.17 1wuy h ILE 626 Cb 1.04 1.34 -0.04 0.00 -0.74 0.00 0.00 36.82 38.42 1wuy h ILE 626 CO 0.10 0.24 0.47 1.23 0.00 0.00 0.00 178.15 180.19 1wuy h GLY 627 N 0.14 0.93 1.01 5.37 0.00 -1.26 0.62 103.07 109.89 1wuy h GLY 627 Ca 0.06 -0.30 0.00 0.00 0.00 0.00 0.00 47.33 47.10 1wuy h GLY 627 CO 0.01 0.23 0.49 -0.55 0.00 0.00 0.00 176.54 176.71 1wuy h ASP 628 N 0.75 0.89 0.23 0.19 3.45 -1.07 0.85 116.42 121.70 1wuy h ASP 628 Ca 0.30 -0.04 -0.01 0.00 0.43 0.00 0.00 57.03 57.71 1wuy h ASP 628 Cb 0.24 -0.22 0.00 0.00 -0.56 0.00 0.00 39.33 38.79 1wuy h ASP 628 CO -0.10 0.66 -0.11 0.58 -1.57 0.00 0.00 179.24 178.71 1wuy h VAL 629 N 1.03 0.29 -0.56 -1.35 2.07 -1.14 -3.33 116.25 113.26 1wuy h VAL 629 Ca 0.28 -0.91 0.01 0.00 0.82 0.00 0.00 66.70 66.90 1wuy h VAL 629 Cb -0.09 0.51 -0.03 0.00 -1.52 0.00 0.00 31.29 30.16 1wuy h VAL 629 CO -0.06 0.08 0.36 0.58 0.02 0.00 0.00 177.57 178.56 1wuy h VAL 630 N -1.03 1.11 0.00 2.57 2.07 -0.93 -2.89 116.25 117.15 1wuy h VAL 630 Ca -0.03 -0.25 0.00 0.00 0.82 0.00 0.00 66.70 67.24 1wuy h VAL 630 Cb 0.37 0.32 0.00 0.00 -1.52 0.00 0.00 31.29 30.46 1wuy h VAL 630 CO 0.05 0.13 0.00 0.59 0.02 0.00 0.00 177.57 178.36 1wuy n ASN 631 N -4.72 0.14 -0.07 0.57 3.02 0.29 -3.13 115.26 111.36 1wuy n ASN 631 Ca 0.04 0.53 0.01 0.00 -0.03 0.00 0.00 54.58 55.13 1wuy n ASN 631 Cb 0.04 -0.56 0.02 0.00 -0.61 0.00 0.00 39.78 38.67 1wuy n ASN 631 CO 0.00 0.00 0.00 1.41 -2.62 0.00 0.00 177.26 176.05 1wuy n HIS 632 N -1.65 0.04 -2.85 3.10 8.25 -1.11 -4.96 115.22 116.05 1wuy n HIS 632 Ca 0.04 -0.39 -0.42 0.00 -0.26 0.00 0.00 57.72 56.69 1wuy n HIS 632 Cb 0.20 -0.04 -0.04 0.00 1.12 0.00 0.00 29.99 31.23 1wuy n HIS 632 CO 0.00 0.00 0.00 0.34 0.64 0.00 0.00 176.34 177.32 1wuy s ASP 633 N -0.80 6.69 0.44 0.41 -1.08 -1.12 -4.94 116.67 116.28 1wuy s ASP 633 Ca 0.02 0.63 0.12 0.00 -0.52 0.00 0.00 52.55 52.80 1wuy s ASP 633 Cb 0.01 -2.45 0.98 0.00 -1.46 0.00 0.00 42.92 40.01 1wuy s ASP 633 CO 0.02 -0.76 2.03 -0.65 0.52 0.00 0.00 175.17 176.33 1wuy h PRO 634 N 8.31 0.20 0.00 4.34 0.11 -1.92 -2.42 132.00 140.62 1wuy h PRO 634 Ca -0.23 -0.03 -0.07 0.00 0.11 0.00 0.00 66.00 65.78 1wuy h PRO 634 Cb 1.08 -0.04 -0.01 0.00 0.11 0.00 0.00 31.00 32.14 1wuy h PRO 634 CO 0.95 0.23 -0.34 0.28 -0.21 0.00 0.00 178.00 178.90 1wuy h VAL 635 N 0.20 1.16 -0.13 3.15 2.07 -1.98 -2.92 116.25 117.81 1wuy h VAL 635 Ca 0.05 -1.22 -0.19 0.00 0.82 0.00 0.00 66.70 66.17 1wuy h VAL 635 Cb 0.15 1.67 -0.00 0.00 -1.52 0.00 0.00 31.29 31.59 1wuy h VAL 635 CO 0.00 0.34 -0.68 0.58 0.02 0.00 0.00 177.57 177.83 1wuy h VAL 636 N 0.00 1.34 0.00 2.57 2.07 -1.78 -3.49 116.25 116.96 1wuy h VAL 636 Ca -0.00 -1.99 0.00 0.00 0.82 0.00 0.00 66.70 65.53 1wuy h VAL 636 Cb 0.64 1.97 0.00 0.00 -1.52 0.00 0.00 31.29 32.38 1wuy h VAL 636 CO 0.04 0.61 0.00 0.61 0.02 0.00 0.00 177.57 178.86 1wuy n GLY 637 N 0.49 2.89 1.70 2.17 0.00 -1.11 -2.37 105.19 108.96 1wuy n GLY 637 Ca -0.05 -0.37 0.07 0.00 0.00 0.00 0.00 46.02 45.67 1wuy n GLY 637 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1wuy n ASP 638 N 1.64 5.08 0.17 1.61 5.75 -1.26 -4.30 116.55 125.24 1wuy n ASP 638 Ca 0.00 -2.73 0.12 0.00 -0.01 0.00 0.00 54.79 52.17 1wuy n ASP 638 Cb 0.00 -0.64 0.20 0.00 -1.03 0.00 0.00 41.12 39.65 1wuy n ASP 638 CO 0.00 0.00 0.00 0.03 -0.11 0.00 0.00 177.20 177.12 1wuy h ARG 639 N 3.67 0.00 -2.38 0.11 3.08 -1.81 -3.43 114.38 113.61 1wuy h ARG 639 Ca 0.00 0.00 -0.05 0.00 0.07 0.00 0.00 59.98 60.00 1wuy h ARG 639 Cb 1.72 0.00 -0.25 0.00 0.08 0.00 0.00 29.97 31.52 1wuy h ARG 639 CO 0.39 0.00 -0.27 -1.17 -1.07 0.00 0.00 179.97 177.85 1wuy s LEU 640 N -5.60 -0.67 -0.04 3.04 2.96 -1.26 -1.43 118.68 115.70 1wuy s LEU 640 Ca 0.07 1.15 0.03 0.00 -0.22 0.00 0.00 54.13 55.16 1wuy s LEU 640 Cb 0.08 1.65 0.00 0.00 0.50 0.00 0.00 46.19 48.42 1wuy s LEU 640 CO 0.67 -0.22 -0.12 -0.13 -1.32 0.00 0.00 176.35 175.23 1wuy s ARG 641 N 2.34 1.33 -0.29 1.98 1.81 -1.02 -4.63 118.95 120.46 1wuy s ARG 641 Ca -0.05 -0.43 -0.03 0.00 -1.72 0.00 0.00 55.73 53.50 1wuy s ARG 641 Cb -0.11 -1.19 0.04 0.00 -0.45 0.00 0.00 34.95 33.24 1wuy s ARG 641 CO -0.15 0.16 0.01 0.08 -0.68 0.00 0.00 175.30 174.72 1wuy s VAL 642 N 0.17 3.16 -0.06 3.52 1.01 -1.26 -1.63 120.40 125.32 1wuy s VAL 642 Ca -0.04 -1.20 0.06 0.00 0.00 0.00 0.00 61.98 60.80 1wuy s VAL 642 Cb -0.10 -2.75 -0.01 0.00 0.00 0.00 0.00 36.38 33.52 1wuy s VAL 642 CO 0.01 -0.03 -0.24 -0.63 0.00 0.00 0.00 175.10 174.21 1wuy s ILE 643 N 1.31 2.13 -0.30 2.22 1.09 -0.65 -4.54 121.20 122.45 1wuy s ILE 643 Ca -0.03 -1.05 -0.12 0.00 -1.10 0.00 0.00 60.65 58.35 1wuy s ILE 643 Cb -0.19 -1.77 -0.04 0.00 -1.06 0.00 0.00 42.46 39.41 1wuy s ILE 643 CO -0.01 0.57 0.23 0.12 -0.10 0.00 0.00 174.94 175.75 1wuy s PHE 644 N -0.22 3.22 -0.62 3.97 2.19 -1.26 -1.40 117.98 123.86 1wuy s PHE 644 Ca -0.02 0.03 -0.27 0.00 0.33 0.00 0.00 56.93 57.00 1wuy s PHE 644 Cb -0.13 -2.44 0.03 0.00 -1.31 0.00 0.00 43.02 39.16 1wuy s PHE 644 CO 0.03 -0.25 1.19 -0.51 1.83 0.00 0.00 175.22 177.52 1wuy s LEU 645 N 1.79 3.44 0.37 6.12 1.02 0.72 -4.96 118.68 127.19 1wuy s LEU 645 Ca 0.08 -0.09 -0.27 0.00 0.02 0.00 0.00 54.13 53.86 1wuy s LEU 645 Cb -0.16 -2.97 -0.09 0.00 0.02 0.00 0.00 46.19 42.99 1wuy s LEU 645 CO 0.11 -1.56 1.27 -0.70 0.02 0.00 0.00 176.35 175.49 1wuy s GLU 646 N 5.07 4.15 -1.29 1.70 2.12 -1.26 -3.92 118.70 125.27 1wuy s GLU 646 Ca 0.40 2.10 -0.11 0.00 0.36 0.00 0.00 54.97 57.71 1wuy s GLU 646 Cb -0.08 -2.87 0.00 0.00 0.26 0.00 0.00 34.13 31.44 1wuy s GLU 646 CO 0.22 -0.32 0.58 -1.71 -0.54 0.00 0.00 175.26 173.49 1wuy n ASN 647 N 0.39 -2.54 -4.70 -1.70 5.15 -1.25 -4.87 115.26 105.74 1wuy n ASN 647 Ca 0.02 -1.04 -0.42 0.00 -0.60 0.00 0.00 54.58 52.55 1wuy n ASN 647 Cb 0.44 -3.07 -0.03 0.00 -0.53 0.00 0.00 39.78 36.59 1wuy n ASN 647 CO 0.00 0.00 0.00 -0.47 1.40 0.00 0.00 177.26 178.19 1wuy s TYR 648 N -3.74 2.56 0.34 1.20 5.04 -1.26 -4.85 117.35 116.66 1wuy s TYR 648 Ca 0.22 0.34 -0.10 0.00 -2.44 0.00 0.00 57.07 55.10 1wuy s TYR 648 Cb -0.09 -4.00 0.02 0.00 0.35 0.00 0.00 41.96 38.25 1wuy s TYR 648 CO 0.88 -3.93 0.61 -0.98 -1.34 0.00 0.00 175.55 170.79 1wuy s ARG 649 N 2.21 1.99 0.17 4.97 1.70 -1.26 -4.76 118.95 123.96 1wuy s ARG 649 Ca 0.74 -1.53 -0.19 0.00 -0.47 0.00 0.00 55.73 54.29 1wuy s ARG 649 Cb -0.42 0.53 0.09 0.00 -0.57 0.00 0.00 34.95 34.57 1wuy s ARG 649 CO 0.33 -0.88 1.65 0.28 -1.08 0.00 0.00 175.30 175.60 1wuy h VAL 650 N 2.08 0.49 -0.06 4.99 2.07 -1.96 0.18 116.25 124.04 1wuy h VAL 650 Ca -0.29 0.00 -0.03 0.00 0.82 0.00 0.00 66.70 67.20 1wuy h VAL 650 Cb 1.25 0.49 -0.01 0.00 -1.52 0.00 0.00 31.29 31.50 1wuy h VAL 650 CO 0.38 0.00 -0.12 0.77 0.02 0.00 0.00 177.57 178.62 1wuy h SER 651 N -0.09 0.08 0.53 0.57 4.64 -1.96 -1.63 113.55 115.68 1wuy h SER 651 Ca 0.19 -0.01 -0.22 0.00 -0.47 0.00 0.00 61.79 61.27 1wuy h SER 651 Cb 0.38 -0.02 -0.00 0.00 -0.31 0.00 0.00 62.40 62.44 1wuy h SER 651 CO -0.44 0.21 -0.98 0.25 -0.87 0.00 0.00 176.83 175.01 1wuy h LEU 652 N 0.08 0.37 -1.26 5.97 5.85 -1.53 -3.18 115.31 121.62 1wuy h LEU 652 Ca 0.02 -0.32 -0.03 0.00 0.84 0.00 0.00 57.88 58.38 1wuy h LEU 652 Cb 0.27 -0.12 -0.02 0.00 0.37 0.00 0.00 40.66 41.16 1wuy h LEU 652 CO 0.02 1.15 0.14 0.00 -0.34 0.00 0.00 178.44 179.40 1wuy h ALA 653 N 0.82 1.41 0.00 1.25 0.00 0.06 -1.05 119.26 121.75 1wuy h ALA 653 Ca -0.07 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.69 1wuy h ALA 653 Cb 1.63 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 19.24 1wuy h ALA 653 CO 0.16 0.43 0.00 0.93 0.00 0.00 0.00 179.25 180.77 1wuy h GLU 654 N 0.63 0.00 0.03 0.00 5.08 -1.30 -2.50 114.58 116.52 1wuy h GLU 654 Ca 0.15 0.00 -0.38 0.00 -1.00 0.00 0.00 59.36 58.13 1wuy h GLU 654 Cb 0.19 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 29.39 1wuy h GLU 654 CO -0.01 0.00 -2.19 1.63 -1.00 0.00 0.00 179.01 177.44 1wuy n LYS 655 N -2.48 0.65 -0.03 2.33 5.02 -0.46 -4.51 118.16 118.68 1wuy n LYS 655 Ca 0.00 0.27 -0.14 0.00 -2.02 0.00 0.00 58.31 56.42 1wuy n LYS 655 Cb 0.17 -1.59 -0.11 0.00 -0.02 0.00 0.00 35.03 33.47 1wuy n LYS 655 CO 0.00 0.00 0.00 -0.39 -0.52 0.00 0.00 177.40 176.49 1wuy h VAL 656 N -0.39 1.53 -0.40 -0.18 -1.51 -1.38 -3.35 116.25 110.57 1wuy h VAL 656 Ca -0.54 -1.77 0.08 0.00 -1.23 0.00 0.00 66.70 63.25 1wuy h VAL 656 Cb 1.77 2.65 -0.09 0.00 -2.13 0.00 0.00 31.29 33.49 1wuy h VAL 656 CO -0.15 0.48 -0.21 0.40 -1.23 0.00 0.00 177.57 176.86 1wuy h ILE 657 N -0.53 0.40 0.00 7.19 2.04 -1.71 0.11 117.51 125.02 1wuy h ILE 657 Ca -0.01 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.85 1wuy h ILE 657 Cb 0.86 0.40 0.00 0.00 -0.74 0.00 0.00 36.82 37.33 1wuy h ILE 657 CO 0.03 0.00 0.00 -2.65 0.00 0.00 0.00 178.15 175.53 1wuy n PRO 658 N -5.38 0.06 0.00 2.37 -0.02 -1.26 -2.09 135.00 128.68 1wuy n PRO 658 Ca 0.02 0.44 0.09 0.00 -2.02 0.00 0.00 63.50 62.04 1wuy n PRO 658 Cb 0.29 -1.66 -0.03 0.00 -0.02 0.00 0.00 33.50 32.08 1wuy n PRO 658 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1wuy n ALA 659 N -1.61 3.58 -1.88 3.55 0.00 0.30 -4.73 120.51 119.73 1wuy n ALA 659 Ca 0.01 -0.57 -0.33 0.00 0.00 0.00 0.00 53.44 52.55 1wuy n ALA 659 Cb 0.10 -0.66 -0.07 0.00 0.00 0.00 0.00 19.45 18.82 1wuy n ALA 659 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1wuy s ALA 660 N -2.28 3.09 -0.15 0.00 0.00 -0.61 -4.59 121.76 117.22 1wuy s ALA 660 Ca 0.14 0.33 0.01 0.00 0.00 0.00 0.00 51.96 52.43 1wuy s ALA 660 Cb 0.15 -3.08 -0.10 0.00 0.00 0.00 0.00 23.12 20.09 1wuy s ALA 660 CO 0.54 0.16 -0.14 -0.25 0.00 0.00 0.00 175.76 176.07 1wuy n ASP 661 N -0.61 2.72 -4.11 0.00 8.00 -0.73 -4.26 116.55 117.56 1wuy n ASP 661 Ca 0.06 -0.07 -0.32 0.00 0.71 0.00 0.00 54.79 55.18 1wuy n ASP 661 Cb 0.54 -0.25 -0.16 0.00 -0.02 0.00 0.00 41.12 41.22 1wuy n ASP 661 CO 0.00 0.00 0.00 -0.22 -0.39 0.00 0.00 177.20 176.59 1wuy s LEU 662 N -5.95 1.99 -0.26 0.64 0.20 -0.73 -0.58 118.68 113.99 1wuy s LEU 662 Ca -0.21 -0.57 -0.10 0.00 0.69 0.00 0.00 54.13 53.93 1wuy s LEU 662 Cb 0.06 -1.36 -0.05 0.00 -0.43 0.00 0.00 46.19 44.41 1wuy s LEU 662 CO 0.35 0.02 0.16 -0.55 -0.29 0.00 0.00 176.35 176.05 1wuy s SER 663 N 1.10 5.91 -0.38 3.68 0.15 0.21 -1.71 113.70 122.66 1wuy s SER 663 Ca -0.01 -0.00 -0.20 0.00 0.70 0.00 0.00 55.95 56.44 1wuy s SER 663 Cb -0.14 -2.09 0.01 0.00 -1.71 0.00 0.00 66.02 62.09 1wuy s SER 663 CO -0.07 -0.01 0.60 -1.61 1.20 0.00 0.00 173.24 173.35 1wuy s GLU 664 N 1.52 3.52 -0.49 5.44 0.41 -0.90 -1.63 118.70 126.57 1wuy s GLU 664 Ca 0.07 -0.16 0.08 0.00 -0.41 0.00 0.00 54.97 54.54 1wuy s GLU 664 Cb -0.15 -3.86 0.29 0.00 -1.78 0.00 0.00 34.13 28.63 1wuy s GLU 664 CO 0.08 -0.80 0.72 1.04 -0.49 0.00 0.00 175.26 175.81 1wuy n GLN 665 N 6.02 1.81 -1.34 1.61 1.13 -0.86 -4.78 117.38 120.96 1wuy n GLN 665 Ca -0.02 -4.00 -0.30 0.00 -1.94 0.00 0.00 57.00 50.73 1wuy n GLN 665 Cb 0.48 -1.83 0.10 0.00 0.11 0.00 0.00 30.24 29.11 1wuy n GLN 665 CO 0.00 0.00 0.00 0.44 -1.44 0.00 0.00 177.06 176.06 1wuy n ILE 666 N 0.64 3.39 -1.44 5.09 -5.35 -1.26 -2.67 119.36 117.76 1wuy n ILE 666 Ca 0.26 -2.81 -0.32 0.00 -0.27 0.00 0.00 62.75 59.61 1wuy n ILE 666 Cb 0.50 -0.96 0.07 0.00 -1.74 0.00 0.00 39.64 37.51 1wuy n ILE 666 CO 0.00 0.00 0.00 -0.94 -1.76 0.00 0.00 176.55 173.85 1wuy s SER 667 N -1.91 4.77 0.21 7.28 1.04 -1.26 -4.62 113.70 119.21 1wuy s SER 667 Ca 0.61 1.86 -0.31 0.00 0.48 0.00 0.00 55.95 58.59 1wuy s SER 667 Cb 0.49 -2.53 -0.10 0.00 0.10 0.00 0.00 66.02 63.98 1wuy s SER 667 CO 0.02 -1.86 1.45 -0.89 0.98 0.00 0.00 173.24 172.95 1wuy s THR 668 N -2.74 2.78 0.08 2.02 2.01 -1.16 -4.65 115.64 113.97 1wuy s THR 668 Ca 0.63 0.62 -0.37 0.00 0.31 0.00 0.00 61.69 62.87 1wuy s THR 668 Cb -0.18 -3.39 -0.17 0.00 0.01 0.00 0.00 72.50 68.77 1wuy s THR 668 CO 0.51 0.08 1.37 0.00 -0.69 0.00 0.00 174.62 175.89 1wuy n ALA 669 N 2.96 -0.84 0.00 7.40 0.00 -1.26 -1.95 120.51 126.82 1wuy n ALA 669 Ca 0.09 0.51 0.00 0.00 0.00 0.00 0.00 53.44 54.04 1wuy n ALA 669 Cb 0.40 -2.09 0.00 0.00 0.00 0.00 0.00 19.45 17.76 1wuy n ALA 669 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1wuy n GLY 670 N 2.62 0.93 0.11 0.00 0.00 -1.26 -4.68 105.19 102.91 1wuy n GLY 670 Ca 0.19 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 46.06 1wuy n GLY 670 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1wuy n THR 671 N -2.00 1.54 -2.91 2.61 -2.24 -0.82 -4.80 114.28 105.65 1wuy n THR 671 Ca 0.00 -0.72 -0.43 0.00 -2.27 0.00 0.00 64.05 60.62 1wuy n THR 671 Cb 0.00 -1.10 -0.04 0.00 -2.10 0.00 0.00 70.33 67.09 1wuy n THR 671 CO 0.00 0.00 0.00 -0.70 -0.57 0.00 0.00 175.07 173.80 1wuy s GLU 672 N -2.53 3.11 0.32 -0.78 2.56 -1.26 -4.71 118.70 115.40 1wuy s GLU 672 Ca -0.19 -0.91 0.06 0.00 0.00 0.00 0.00 54.97 53.94 1wuy s GLU 672 Cb 0.07 -4.23 0.89 0.00 2.00 0.00 0.00 34.13 32.87 1wuy s GLU 672 CO 0.75 -1.74 1.58 0.00 -0.56 0.00 0.00 175.26 175.29 1wuy h ALA 673 N 9.47 1.41 0.00 6.30 0.00 -1.87 -2.81 119.26 131.76 1wuy h ALA 673 Ca -0.29 0.32 0.00 0.00 0.00 0.00 0.00 54.91 54.94 1wuy h ALA 673 Cb 1.07 0.52 0.00 0.00 0.00 0.00 0.00 17.79 19.39 1wuy h ALA 673 CO 1.16 -0.66 0.00 0.45 0.00 0.00 0.00 179.25 180.20 1wuy n SER 674 N -5.42 -1.31 0.00 0.00 2.88 -1.26 -4.12 113.62 104.38 1wuy n SER 674 Ca 0.27 0.34 0.00 0.00 -1.33 0.00 0.00 58.87 58.15 1wuy n SER 674 Cb 0.88 1.44 0.00 0.00 -0.75 0.00 0.00 64.21 65.79 1wuy n SER 674 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1wuy n GLY 675 N -0.56 0.39 0.00 0.46 0.00 -1.26 -1.33 105.19 102.89 1wuy n GLY 675 Ca 0.00 -1.65 0.00 0.00 0.00 0.00 0.00 46.02 44.37 1wuy n GLY 675 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1wuy n THR 676 N 0.62 0.00 -0.15 2.61 -2.24 -1.26 -4.76 114.28 109.10 1wuy n THR 676 Ca 0.00 0.00 -0.00 0.00 -2.27 0.00 0.00 64.05 61.78 1wuy n THR 676 Cb 0.00 0.01 0.25 0.00 -2.10 0.00 0.00 70.33 68.49 1wuy n THR 676 CO 0.00 0.00 0.00 1.23 -0.57 0.00 0.00 175.07 175.73 1wuy h GLY 677 N 0.00 0.91 0.49 3.38 0.00 -1.95 -2.06 103.07 103.83 1wuy h GLY 677 Ca 0.00 -0.41 0.07 0.00 0.00 0.00 0.00 47.33 46.99 1wuy h GLY 677 CO 0.00 0.40 0.15 3.45 0.00 0.00 0.00 176.54 180.54 1wuy h ASN 678 N 0.85 0.12 -0.36 0.19 -0.00 -1.94 -0.91 115.58 113.54 1wuy h ASN 678 Ca 0.21 0.07 -0.06 0.00 -0.00 0.00 0.00 56.30 56.52 1wuy h ASN 678 Cb 0.06 0.07 -0.02 0.00 -0.00 0.00 0.00 38.32 38.43 1wuy h ASN 678 CO -0.03 0.10 0.02 0.24 -0.00 0.00 0.00 177.43 177.75 1wuy h MET 679 N 0.31 0.72 -0.67 4.14 2.86 -1.71 -2.49 114.93 118.09 1wuy h MET 679 Ca 0.24 -0.18 0.01 0.00 -2.06 0.00 0.00 59.70 57.71 1wuy h MET 679 Cb 0.27 -0.09 -0.03 0.00 0.06 0.00 0.00 31.60 31.81 1wuy h MET 679 CO -0.26 0.73 0.44 0.87 1.06 0.00 0.00 176.91 179.75 1wuy h LYS 680 N 0.68 0.88 -0.54 1.72 1.57 -0.54 -2.49 116.57 117.86 1wuy h LYS 680 Ca 0.14 -0.05 -0.07 0.00 -1.87 0.00 0.00 60.65 58.80 1wuy h LYS 680 Cb 0.40 -0.20 -0.02 0.00 0.08 0.00 0.00 32.23 32.49 1wuy h LYS 680 CO 0.01 0.58 0.08 0.74 -0.57 0.00 0.00 179.45 180.30 1wuy h PHE 681 N 0.91 0.97 -0.41 -1.35 0.04 -1.11 -2.95 116.94 113.04 1wuy h PHE 681 Ca 0.25 -0.14 -0.03 0.00 2.80 0.00 0.00 57.97 60.85 1wuy h PHE 681 Cb -0.10 -0.26 -0.02 0.00 2.20 0.00 0.00 35.95 37.76 1wuy h PHE 681 CO -0.03 0.86 0.14 1.98 -0.60 0.00 0.00 178.31 180.67 1wuy h MET 682 N 0.79 0.58 0.00 1.51 4.05 -1.23 -2.23 114.93 118.40 1wuy h MET 682 Ca 0.16 -0.08 -0.08 0.00 -0.28 0.00 0.00 59.70 59.42 1wuy h MET 682 Cb 0.42 -0.11 -0.01 0.00 -0.80 0.00 0.00 31.60 31.11 1wuy h MET 682 CO 0.01 0.50 -0.38 1.25 0.23 0.00 0.00 176.91 178.52 1wuy h LEU 683 N 0.58 0.00 -3.30 3.39 5.85 -1.36 -3.30 115.31 117.16 1wuy h LEU 683 Ca 0.14 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.86 1wuy h LEU 683 Cb 0.15 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.18 1wuy h LEU 683 CO -0.01 0.38 0.00 0.59 -0.34 0.00 0.00 178.44 179.06 1wuy n ASN 684 N -3.36 5.03 0.00 1.25 3.02 -0.89 -4.91 115.26 115.39 1wuy n ASN 684 Ca 0.01 -2.66 0.00 0.00 -0.03 0.00 0.00 54.58 51.90 1wuy n ASN 684 Cb 0.58 -0.61 0.00 0.00 -0.61 0.00 0.00 39.78 39.14 1wuy n ASN 684 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1wuy n GLY 685 N 0.81 0.71 3.64 7.41 0.00 -1.16 -4.79 105.19 111.81 1wuy n GLY 685 Ca 0.26 -0.71 -0.30 0.00 0.00 0.00 0.00 46.02 45.27 1wuy n GLY 685 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1wuy s ALA 686 N -2.00 3.14 0.19 4.61 0.00 -0.89 -4.77 121.76 122.04 1wuy s ALA 686 Ca 0.00 -1.18 -0.03 0.00 0.00 0.00 0.00 51.96 50.75 1wuy s ALA 686 Cb 0.00 -1.05 -0.05 0.00 0.00 0.00 0.00 23.12 22.02 1wuy s ALA 686 CO 0.00 0.67 0.41 -0.51 0.00 0.00 0.00 175.76 176.33 1wuy s LEU 687 N -2.29 4.22 -0.14 0.00 1.02 0.25 -4.41 118.68 117.33 1wuy s LEU 687 Ca 0.24 0.52 -0.03 0.00 0.02 0.00 0.00 54.13 54.88 1wuy s LEU 687 Cb -0.11 -3.28 -0.03 0.00 0.02 0.00 0.00 46.19 42.79 1wuy s LEU 687 CO 0.16 -0.03 -0.05 -0.89 0.02 0.00 0.00 176.35 175.56 1wuy s THR 688 N -1.82 3.77 -0.24 5.49 2.01 -1.26 -0.62 115.64 122.98 1wuy s THR 688 Ca 0.40 -0.41 -0.02 0.00 0.31 0.00 0.00 61.69 61.98 1wuy s THR 688 Cb -0.11 -2.63 0.02 0.00 0.01 0.00 0.00 72.50 69.78 1wuy s THR 688 CO 0.27 0.51 -0.07 -0.51 -0.69 0.00 0.00 174.62 174.14 1wuy s ILE 689 N 0.24 2.94 0.23 1.82 2.07 -0.65 -1.57 121.20 126.28 1wuy s ILE 689 Ca -0.04 -0.88 -0.14 0.00 -1.41 0.00 0.00 60.65 58.19 1wuy s ILE 689 Cb -0.14 -2.43 0.05 0.00 0.13 0.00 0.00 42.46 40.07 1wuy s ILE 689 CO 0.03 0.28 0.69 0.61 -1.91 0.00 0.00 174.94 174.65 1wuy n GLY 690 N 4.70 1.01 3.97 1.50 0.00 -0.81 -2.03 105.19 113.53 1wuy n GLY 690 Ca -0.17 -1.15 -0.21 0.00 0.00 0.00 0.00 46.02 44.48 1wuy n GLY 690 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1wuy s THR 691 N -2.25 4.16 -1.28 2.61 -4.23 -1.09 -2.01 115.64 111.55 1wuy s THR 691 Ca 0.15 -0.75 -0.18 0.00 -1.18 0.00 0.00 61.69 59.73 1wuy s THR 691 Cb -0.03 -3.49 0.02 0.00 1.34 0.00 0.00 72.50 70.34 1wuy s THR 691 CO 0.07 -0.26 1.92 0.23 -0.54 0.00 0.00 174.62 176.03 1wuy n MET 692 N -1.83 2.71 -4.08 3.99 2.81 -1.26 -4.71 117.12 114.74 1wuy n MET 692 Ca -0.00 -2.84 -0.14 0.00 -1.81 0.00 0.00 57.70 52.91 1wuy n MET 692 Cb 0.58 -3.42 -0.12 0.00 -0.71 0.00 0.00 33.22 29.55 1wuy n MET 692 CO 0.00 0.00 0.00 0.34 1.51 0.00 0.00 175.97 177.82 1wuy s ASP 693 N 4.36 0.87 0.75 7.83 3.68 -1.26 -4.58 116.67 128.31 1wuy s ASP 693 Ca 0.55 -0.50 0.00 0.00 2.13 0.00 0.00 52.55 54.72 1wuy s ASP 693 Cb 0.07 0.02 0.00 0.00 -1.45 0.00 0.00 42.92 41.56 1wuy s ASP 693 CO 0.05 -0.17 0.00 0.61 0.13 0.00 0.00 175.17 175.79 1wuy n GLY 694 N 1.62 2.65 0.13 2.66 0.00 -1.06 -1.19 105.19 109.98 1wuy n GLY 694 Ca -0.22 -0.15 0.12 0.00 0.00 0.00 0.00 46.02 45.77 1wuy n GLY 694 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1wuy n ALA 695 N 8.33 1.91 -0.35 4.61 0.00 -0.44 -3.42 120.51 131.15 1wuy n ALA 695 Ca 0.00 0.05 0.16 0.00 0.00 0.00 0.00 53.44 53.64 1wuy n ALA 695 Cb 0.00 -1.43 0.36 0.00 0.00 0.00 0.00 19.45 18.39 1wuy n ALA 695 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 177.50 176.59 1wuy h ASN 696 N 0.00 0.72 -0.34 0.00 4.21 -1.36 -0.52 115.58 118.29 1wuy h ASN 696 Ca 0.00 0.12 -0.00 0.00 1.21 0.00 0.00 56.30 57.63 1wuy h ASN 696 Cb 0.52 0.00 -0.02 0.00 -1.12 0.00 0.00 38.32 37.70 1wuy h ASN 696 CO 0.00 0.17 0.21 0.58 -1.29 0.00 0.00 177.43 177.10 1wuy h VAL 697 N 0.66 1.12 0.00 2.81 2.07 -1.66 -1.22 116.25 120.02 1wuy h VAL 697 Ca 0.62 -0.27 -0.06 0.00 0.82 0.00 0.00 66.70 67.82 1wuy h VAL 697 Cb 1.10 0.68 -0.01 0.00 -1.52 0.00 0.00 31.29 31.53 1wuy h VAL 697 CO -0.44 0.11 -0.27 -0.33 0.02 0.00 0.00 177.57 176.66 1wuy h GLU 698 N 0.44 0.00 -0.05 1.57 5.08 -1.37 -0.91 114.58 119.35 1wuy h GLU 698 Ca 0.12 0.00 -0.09 0.00 -1.00 0.00 0.00 59.36 58.39 1wuy h GLU 698 Cb 0.01 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.26 1wuy h GLU 698 CO -0.02 0.27 -0.32 0.52 -1.00 0.00 0.00 179.01 178.46 1wuy h MET 699 N 0.00 0.30 -0.36 2.33 2.86 -0.86 -1.18 114.93 118.02 1wuy h MET 699 Ca -0.00 -0.26 -0.09 0.00 -2.06 0.00 0.00 59.70 57.28 1wuy h MET 699 Cb 0.83 0.06 -0.02 0.00 0.06 0.00 0.00 31.60 32.53 1wuy h MET 699 CO 0.04 0.92 -0.16 0.00 1.06 0.00 0.00 176.91 178.77 1wuy h ALA 700 N 0.38 1.04 -0.14 6.32 0.00 -1.19 0.40 119.26 126.07 1wuy h ALA 700 Ca -0.03 -0.32 -0.07 0.00 0.00 0.00 0.00 54.91 54.49 1wuy h ALA 700 Cb 1.00 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.62 1wuy h ALA 700 CO 0.07 0.58 -0.23 1.49 0.00 0.00 0.00 179.25 181.15 1wuy h GLU 701 N 0.60 0.24 0.24 0.00 4.81 -1.13 0.50 114.58 119.84 1wuy h GLU 701 Ca 0.10 -0.08 -0.33 0.00 -0.13 0.00 0.00 59.36 58.93 1wuy h GLU 701 Cb 0.61 -0.02 0.04 0.00 0.63 0.00 0.00 28.75 30.00 1wuy h GLU 701 CO 0.04 0.47 -1.45 0.93 -0.73 0.00 0.00 179.01 178.27 1wuy h GLU 702 N 0.22 0.51 0.00 1.92 4.39 -0.60 -3.35 114.58 117.68 1wuy h GLU 702 Ca 0.04 -0.88 0.00 0.00 0.34 0.00 0.00 59.36 58.86 1wuy h GLU 702 Cb 0.54 0.33 0.00 0.00 -0.10 0.00 0.00 28.75 29.52 1wuy h GLU 702 CO 0.04 1.42 -0.73 0.00 -1.16 0.00 0.00 179.01 178.58 1wuy h ALA 703 N 0.14 0.62 -0.01 3.43 0.00 -0.87 -3.47 119.26 119.09 1wuy h ALA 703 Ca -0.26 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.65 1wuy h ALA 703 Cb 2.12 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.91 1wuy h ALA 703 CO 0.26 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.92 1wuy n GLY 704 N 1.19 1.16 0.34 0.00 0.00 0.18 -4.53 105.19 103.53 1wuy n GLY 704 Ca 0.01 -1.32 0.18 0.00 0.00 0.00 0.00 46.02 44.89 1wuy n GLY 704 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1wuy h GLU 705 N 0.00 0.00 0.00 1.61 5.08 -1.86 0.04 114.58 119.45 1wuy h GLU 705 Ca 0.00 0.00 -0.03 0.00 -1.00 0.00 0.00 59.36 58.33 1wuy h GLU 705 Cb 0.00 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.25 1wuy h GLU 705 CO 0.00 0.00 -0.12 0.93 -1.00 0.00 0.00 179.01 178.82 1wuy h GLU 706 N 0.00 0.00 -0.63 2.33 3.07 -1.90 -2.49 114.58 114.96 1wuy h GLU 706 Ca 0.07 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.93 1wuy h GLU 706 Cb 0.47 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.38 1wuy h GLU 706 CO -0.00 0.12 0.00 0.09 -1.40 0.00 0.00 179.01 177.82 1wuy n ASN 707 N -3.34 4.98 -4.15 1.42 3.02 0.00 -4.92 115.26 112.27 1wuy n ASN 707 Ca -0.00 -2.55 -0.18 0.00 -0.03 0.00 0.00 54.58 51.82 1wuy n ASN 707 Cb 0.32 -0.60 -0.12 0.00 -0.61 0.00 0.00 39.78 38.77 1wuy n ASN 707 CO 0.00 0.00 0.00 0.12 -2.62 0.00 0.00 177.26 174.76 1wuy s PHE 708 N -2.04 1.12 -1.01 3.10 5.36 -0.94 -4.80 117.98 118.76 1wuy s PHE 708 Ca 0.52 -0.45 -0.04 0.00 -0.96 0.00 0.00 56.93 56.01 1wuy s PHE 708 Cb 0.35 -0.64 0.29 0.00 -0.34 0.00 0.00 43.02 42.68 1wuy s PHE 708 CO 0.23 0.03 1.23 1.19 -1.46 0.00 0.00 175.22 176.44 1wuy n PHE 709 N 1.42 3.33 -3.07 10.12 3.72 -0.61 -4.94 117.46 127.43 1wuy n PHE 709 Ca -0.21 -3.25 -0.36 0.00 -0.05 0.00 0.00 57.45 53.57 1wuy n PHE 709 Cb 0.54 -1.26 -0.06 0.00 -0.94 0.00 0.00 39.48 37.77 1wuy n PHE 709 CO 0.00 0.00 0.00 0.42 -0.05 0.00 0.00 176.76 177.13 1wuy s ILE 710 N -2.26 4.54 0.37 4.37 1.09 -1.26 -1.92 121.20 126.12 1wuy s ILE 710 Ca 0.32 1.34 -0.09 0.00 -1.10 0.00 0.00 60.65 61.11 1wuy s ILE 710 Cb 0.01 -3.88 0.03 0.00 -1.06 0.00 0.00 42.46 37.57 1wuy s ILE 710 CO 0.02 0.21 0.64 0.72 -0.10 0.00 0.00 174.94 176.44 1wuy s PHE 711 N -1.52 0.59 0.06 3.97 -0.71 -0.85 -4.96 117.98 114.56 1wuy s PHE 711 Ca 0.43 -1.06 0.00 0.00 -1.04 0.00 0.00 56.93 55.27 1wuy s PHE 711 Cb -0.17 0.40 0.00 0.00 -1.21 0.00 0.00 43.02 42.04 1wuy s PHE 711 CO 0.21 -1.38 0.00 0.41 -1.34 0.00 0.00 175.22 173.12 1wuy n GLY 712 N -0.56 -1.77 3.77 1.99 0.00 -1.26 -4.34 105.19 103.03 1wuy n GLY 712 Ca -0.04 -1.28 -0.35 0.00 0.00 0.00 0.00 46.02 44.35 1wuy n GLY 712 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1wuy s MET 713 N -0.57 3.16 0.34 1.61 -1.94 -1.26 -4.91 119.30 115.73 1wuy s MET 713 Ca 0.00 1.63 0.07 0.00 -1.71 0.00 0.00 55.69 55.68 1wuy s MET 713 Cb 0.00 -1.98 -0.01 0.00 2.01 0.00 0.00 34.83 34.85 1wuy s MET 713 CO 0.00 -1.01 0.42 1.03 -0.01 0.00 0.00 175.02 175.45 1wuy s ARG 714 N -3.43 2.97 0.27 2.03 1.81 -1.26 -4.50 118.95 116.84 1wuy s ARG 714 Ca 0.73 -1.12 -0.02 0.00 -1.72 0.00 0.00 55.73 53.59 1wuy s ARG 714 Cb -0.25 -2.71 0.59 0.00 -0.45 0.00 0.00 34.95 32.14 1wuy s ARG 714 CO 0.31 0.04 1.62 0.28 -0.68 0.00 0.00 175.30 176.87 1wuy h VAL 715 N 0.98 0.23 -0.74 3.52 2.07 -1.83 0.04 116.25 120.53 1wuy h VAL 715 Ca -0.45 -0.03 0.04 0.00 0.82 0.00 0.00 66.70 67.08 1wuy h VAL 715 Cb 1.26 0.13 -0.05 0.00 -1.52 0.00 0.00 31.29 31.10 1wuy h VAL 715 CO 0.54 0.02 0.45 -0.33 0.02 0.00 0.00 177.57 178.27 1wuy h GLU 716 N 0.10 0.84 -0.51 1.57 3.07 -1.95 -1.84 114.58 115.86 1wuy h GLU 716 Ca 0.50 -0.05 -0.06 0.00 -0.50 0.00 0.00 59.36 59.25 1wuy h GLU 716 Cb 0.96 -0.19 -0.02 0.00 -0.84 0.00 0.00 28.75 28.66 1wuy h GLU 716 CO -0.74 0.55 0.06 -0.44 -1.40 0.00 0.00 179.01 177.04 1wuy h ASP 717 N 0.86 0.77 -0.54 1.42 3.45 -1.38 -0.18 116.42 120.83 1wuy h ASP 717 Ca 0.31 -0.17 -0.06 0.00 0.43 0.00 0.00 57.03 57.54 1wuy h ASP 717 Cb 0.08 -0.20 -0.02 0.00 -0.56 0.00 0.00 39.33 38.63 1wuy h ASP 717 CO -0.14 0.81 0.10 0.58 -1.57 0.00 0.00 179.24 179.02 1wuy h VAL 718 N 0.77 1.25 -0.28 -1.35 2.07 -0.79 -1.45 116.25 116.47 1wuy h VAL 718 Ca 0.16 -0.93 -0.02 0.00 0.82 0.00 0.00 66.70 66.72 1wuy h VAL 718 Cb 0.39 0.82 -0.01 0.00 -1.52 0.00 0.00 31.29 30.96 1wuy h VAL 718 CO 0.01 0.34 0.08 0.44 0.02 0.00 0.00 177.57 178.46 1wuy h ASP 719 N 0.77 0.41 -0.56 0.57 3.32 -1.00 -1.35 116.42 118.59 1wuy h ASP 719 Ca 0.16 -0.22 0.07 0.00 0.02 0.00 0.00 57.03 57.07 1wuy h ASP 719 Cb 0.39 -0.11 -0.06 0.00 0.22 0.00 0.00 39.33 39.77 1wuy h ASP 719 CO 0.01 0.52 0.23 0.03 -1.72 0.00 0.00 179.24 178.31 1wuy h ARG 720 N 0.29 0.42 -0.61 3.56 3.08 -0.85 0.19 114.38 120.45 1wuy h ARG 720 Ca 0.09 -0.03 -0.03 0.00 0.07 0.00 0.00 59.98 60.09 1wuy h ARG 720 Cb 0.26 -0.09 -0.03 0.00 0.08 0.00 0.00 29.97 30.19 1wuy h ARG 720 CO -0.00 0.28 0.27 1.25 -1.07 0.00 0.00 179.97 180.70 1wuy h LEU 721 N 0.43 0.78 -0.51 3.04 6.46 -1.02 -2.24 115.31 122.25 1wuy h LEU 721 Ca 0.27 -0.09 -0.16 0.00 -0.12 0.00 0.00 57.88 57.79 1wuy h LEU 721 Cb 0.28 -0.20 -0.01 0.00 -0.73 0.00 0.00 40.66 40.00 1wuy h LEU 721 CO -0.25 0.68 -0.50 0.44 -0.62 0.00 0.00 178.44 178.19 1wuy h ASP 722 N 0.86 0.70 0.50 1.25 3.32 -0.07 0.74 116.42 123.73 1wuy h ASP 722 Ca 0.21 -0.36 -0.02 0.00 0.02 0.00 0.00 57.03 56.88 1wuy h ASP 722 Cb 0.12 -0.20 -0.00 0.00 0.22 0.00 0.00 39.33 39.46 1wuy h ASP 722 CO -0.02 1.08 -0.30 1.56 -1.72 0.00 0.00 179.24 179.83 1wuy h GLN 723 N 0.50 -0.73 -0.05 3.56 1.08 -0.56 -2.88 115.11 116.04 1wuy h GLN 723 Ca 0.02 0.05 -0.13 0.00 -1.45 0.00 0.00 58.65 57.14 1wuy h GLN 723 Cb 1.05 0.17 -0.01 0.00 -0.05 0.00 0.00 27.48 28.63 1wuy h GLN 723 CO 0.10 -0.49 -0.58 0.07 -0.95 0.00 0.00 178.83 176.99 1wuy h ARG 724 N -0.76 0.14 0.00 1.46 0.11 -1.40 -3.49 114.38 110.44 1wuy h ARG 724 Ca -0.06 -0.09 0.00 0.00 0.10 0.00 0.00 59.98 59.93 1wuy h ARG 724 Cb 0.62 0.01 0.00 0.00 1.11 0.00 0.00 29.97 31.71 1wuy h ARG 724 CO 0.07 0.68 0.00 0.41 0.10 0.00 0.00 179.97 181.22 1wuy n GLY 725 N 0.17 2.45 3.66 0.08 0.00 0.26 -5.04 105.19 106.77 1wuy n GLY 725 Ca -0.02 -1.24 -0.43 0.00 0.00 0.00 0.00 46.02 44.34 1wuy n GLY 725 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1wuy s TYR 726 N 0.00 3.34 -0.32 1.61 5.04 -1.19 -4.88 117.35 120.96 1wuy s TYR 726 Ca 0.00 1.43 0.03 0.00 -2.44 0.00 0.00 57.07 56.08 1wuy s TYR 726 Cb 0.00 -3.24 0.09 0.00 0.35 0.00 0.00 41.96 39.17 1wuy s TYR 726 CO 0.00 -0.46 0.04 1.21 -1.34 0.00 0.00 175.55 175.00 1wuy s ASN 727 N 1.21 4.50 0.56 4.32 3.84 -1.26 -4.99 114.94 123.12 1wuy s ASN 727 Ca 0.43 -1.91 0.23 0.00 0.21 0.00 0.00 52.86 51.82 1wuy s ASN 727 Cb -0.15 -1.41 1.56 0.00 -0.55 0.00 0.00 41.25 40.70 1wuy s ASN 727 CO 0.06 -0.36 2.21 0.00 -2.79 0.00 0.00 177.10 176.22 1wuy h ALA 728 N 7.76 1.76 -0.99 1.71 0.00 -1.87 -2.62 119.26 125.00 1wuy h ALA 728 Ca -0.08 -0.00 0.09 0.00 0.00 0.00 0.00 54.91 54.91 1wuy h ALA 728 Cb 1.02 0.00 -0.07 0.00 0.00 0.00 0.00 17.79 18.74 1wuy h ALA 728 CO 0.50 -0.00 0.63 0.37 0.00 0.00 0.00 179.25 180.74 1wuy h GLN 729 N 0.00 1.06 -0.37 0.00 5.75 -1.93 -2.24 115.11 117.37 1wuy h GLN 729 Ca 0.00 -0.06 0.08 0.00 -0.15 0.00 0.00 58.65 58.51 1wuy h GLN 729 Cb 0.00 -0.24 -0.07 0.00 1.07 0.00 0.00 27.48 28.24 1wuy h GLN 729 CO -0.00 0.70 -0.10 1.49 -2.65 0.00 0.00 178.83 178.26 1wuy h GLU 730 N 1.09 -0.02 -0.46 1.69 4.81 -1.89 0.13 114.58 119.93 1wuy h GLU 730 Ca 0.45 0.00 -0.10 0.00 -0.13 0.00 0.00 59.36 59.59 1wuy h GLU 730 Cb 0.29 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 29.66 1wuy h GLU 730 CO -0.21 -0.01 -0.10 1.88 -0.73 0.00 0.00 179.01 179.84 1wuy h TYR 731 N -0.02 0.91 -0.58 0.92 -1.99 -1.62 -1.72 116.97 112.87 1wuy h TYR 731 Ca 0.18 -0.17 -0.05 0.00 2.00 0.00 0.00 58.73 60.69 1wuy h TYR 731 Cb 0.29 -0.23 -0.03 0.00 2.00 0.00 0.00 36.73 38.76 1wuy h TYR 731 CO -0.35 0.89 0.17 -0.92 -0.00 0.00 0.00 178.16 177.95 1wuy h TYR 732 N 0.75 0.91 -0.18 4.88 5.03 -0.78 -2.06 116.97 125.51 1wuy h TYR 732 Ca 0.13 -0.08 -0.14 0.00 2.58 0.00 0.00 58.73 61.22 1wuy h TYR 732 Cb 0.60 -0.27 0.00 0.00 1.55 0.00 0.00 36.73 38.61 1wuy h TYR 732 CO 0.03 0.74 -0.45 -0.44 -1.32 0.00 0.00 178.16 176.72 1wuy h ASP 733 N 0.86 0.70 0.59 -2.11 3.32 -0.41 -3.34 116.42 116.02 1wuy h ASP 733 Ca 0.19 -0.57 0.00 0.00 0.02 0.00 0.00 57.03 56.67 1wuy h ASP 733 Cb 0.27 -0.20 0.00 0.00 0.22 0.00 0.00 39.33 39.61 1wuy h ASP 733 CO -0.01 1.15 -0.29 0.54 -1.72 0.00 0.00 179.24 178.91 1wuy n ARG 734 N -4.22 0.17 -3.99 3.56 5.12 -0.68 -4.73 116.66 111.90 1wuy n ARG 734 Ca -0.06 -0.08 -0.31 0.00 -1.93 0.00 0.00 57.85 55.47 1wuy n ARG 734 Cb 0.56 -1.50 -0.15 0.00 -1.16 0.00 0.00 32.46 30.21 1wuy n ARG 734 CO 0.00 0.00 0.00 0.42 -1.93 0.00 0.00 177.63 176.12 1wuy s ILE 735 N -2.88 1.96 0.25 0.55 1.01 -0.78 -5.00 121.20 116.29 1wuy s ILE 735 Ca 0.15 -1.85 -0.05 0.00 0.00 0.00 0.00 60.65 58.90 1wuy s ILE 735 Cb 0.18 -2.31 0.23 0.00 0.01 0.00 0.00 42.46 40.58 1wuy s ILE 735 CO 0.61 -0.37 1.88 -0.65 0.00 0.00 0.00 174.94 176.40 1wuy h PRO 736 N 7.77 1.07 -0.76 2.79 0.11 -1.85 -1.66 132.00 139.48 1wuy h PRO 736 Ca -0.11 -0.06 -0.03 0.00 0.11 0.00 0.00 66.00 65.90 1wuy h PRO 736 Cb 1.03 -0.24 -0.03 0.00 0.11 0.00 0.00 31.00 31.87 1wuy h PRO 736 CO 0.48 0.71 0.35 0.93 -0.21 0.00 0.00 178.00 180.26 1wuy h GLU 737 N 1.11 1.09 -0.20 1.05 5.08 -1.95 -0.58 114.58 120.17 1wuy h GLU 737 Ca 0.38 -0.16 -0.07 0.00 -1.00 0.00 0.00 59.36 58.51 1wuy h GLU 737 Cb 0.07 -0.20 -0.00 0.00 0.50 0.00 0.00 28.75 29.12 1wuy h GLU 737 CO -0.14 0.85 -0.15 1.25 -1.00 0.00 0.00 179.01 179.82 1wuy h LEU 738 N 1.08 0.47 -0.75 1.33 5.85 -1.80 -2.78 115.31 118.71 1wuy h LEU 738 Ca 0.26 -0.45 0.03 0.00 0.84 0.00 0.00 57.88 58.57 1wuy h LEU 738 Cb 0.13 -0.13 -0.05 0.00 0.37 0.00 0.00 40.66 40.98 1wuy h LEU 738 CO -0.03 0.82 0.47 -0.09 -0.34 0.00 0.00 178.44 179.27 1wuy h ARG 739 N 0.13 0.88 -0.80 1.25 2.43 -1.10 -1.76 114.38 115.42 1wuy h ARG 739 Ca 0.04 -0.05 0.01 0.00 -0.81 0.00 0.00 59.98 59.17 1wuy h ARG 739 Cb 0.66 -0.20 -0.04 0.00 -0.42 0.00 0.00 29.97 29.97 1wuy h ARG 739 CO 0.04 0.58 0.53 0.37 -1.51 0.00 0.00 179.97 179.98 1wuy h GLN 740 N 0.91 1.04 0.11 0.20 4.15 -1.05 -1.40 115.11 119.06 1wuy h GLN 740 Ca 0.30 -0.06 -0.01 0.00 0.77 0.00 0.00 58.65 59.66 1wuy h GLN 740 Cb 0.04 -0.23 0.00 0.00 0.21 0.00 0.00 27.48 27.49 1wuy h GLN 740 CO -0.12 0.69 -0.05 0.82 -1.93 0.00 0.00 178.83 178.24 1wuy h ILE 741 N 1.07 0.98 -0.22 2.39 2.04 -1.13 -1.84 117.51 120.81 1wuy h ILE 741 Ca 0.30 -0.34 0.01 0.00 1.00 0.00 0.00 64.86 65.83 1wuy h ILE 741 Cb -0.10 1.20 -0.01 0.00 -0.74 0.00 0.00 36.82 37.16 1wuy h ILE 741 CO -0.07 0.08 0.15 0.40 0.00 0.00 0.00 178.15 178.71 1wuy h ILE 742 N -0.30 1.02 0.00 -0.67 5.03 -1.09 -0.26 117.51 121.25 1wuy h ILE 742 Ca -0.01 -0.08 -0.02 0.00 -0.12 0.00 0.00 64.86 64.62 1wuy h ILE 742 Cb 0.25 0.76 -0.00 0.00 -3.03 0.00 0.00 36.82 34.79 1wuy h ILE 742 CO 0.02 0.04 -0.08 -0.33 -0.68 0.00 0.00 178.15 177.13 1wuy h GLU 743 N 0.24 0.00 -0.10 2.37 5.08 -1.07 -2.15 114.58 118.96 1wuy h GLU 743 Ca 0.09 0.00 -0.16 0.00 -1.00 0.00 0.00 59.36 58.28 1wuy h GLU 743 Cb 0.05 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.30 1wuy h GLU 743 CO -0.02 0.08 -0.58 1.96 -1.00 0.00 0.00 179.01 179.46 1wuy h GLN 744 N 0.00 0.57 -0.29 2.33 4.20 -0.20 -2.12 115.11 119.60 1wuy h GLN 744 Ca -0.00 -0.48 -0.04 0.00 0.06 0.00 0.00 58.65 58.19 1wuy h GLN 744 Cb 1.05 0.10 -0.01 0.00 0.30 0.00 0.00 27.48 28.92 1wuy h GLN 744 CO 0.01 1.10 0.01 -0.07 -0.67 0.00 0.00 178.83 179.22 1wuy h LEU 745 N 0.19 0.49 -1.02 1.46 3.38 -1.33 -0.49 115.31 117.99 1wuy h LEU 745 Ca -0.04 -0.30 -0.04 0.00 0.09 0.00 0.00 57.88 57.59 1wuy h LEU 745 Cb 1.23 -0.13 -0.03 0.00 0.09 0.00 0.00 40.66 41.82 1wuy h LEU 745 CO 0.12 0.67 0.21 0.28 0.09 0.00 0.00 178.44 179.81 1wuy h SER 746 N 0.30 0.84 0.34 -0.43 0.02 -1.44 -3.00 113.55 110.19 1wuy h SER 746 Ca 0.08 -0.13 0.00 0.00 -0.84 0.00 0.00 61.79 60.91 1wuy h SER 746 Cb 0.41 -0.22 0.00 0.00 0.14 0.00 0.00 62.40 62.73 1wuy h SER 746 CO 0.01 0.78 -0.12 -1.54 -1.14 0.00 0.00 176.83 174.82 1wuy n SER 747 N -4.29 0.53 0.00 3.07 3.41 -0.80 -4.72 113.62 110.82 1wuy n SER 747 Ca 0.05 -0.62 0.00 0.00 -0.26 0.00 0.00 58.87 58.04 1wuy n SER 747 Cb 0.19 -0.05 0.00 0.00 -0.26 0.00 0.00 64.21 64.09 1wuy n SER 747 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1wuy n GLY 748 N 1.28 0.69 0.25 5.00 0.00 -1.09 -4.86 105.19 106.46 1wuy n GLY 748 Ca 0.14 -0.69 0.05 0.00 0.00 0.00 0.00 46.02 45.52 1wuy n GLY 748 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 1wuy h PHE 749 N 0.00 0.17 -0.02 1.61 3.04 -1.33 -2.38 116.94 118.03 1wuy h PHE 749 Ca 0.00 -0.01 0.00 0.00 3.98 0.00 0.00 57.97 61.94 1wuy h PHE 749 Cb 0.20 -0.05 0.00 0.00 2.56 0.00 0.00 35.95 38.66 1wuy h PHE 749 CO 0.00 0.22 -0.25 1.19 -2.02 0.00 0.00 178.31 177.45 1wuy n PHE 750 N -4.39 0.00 -3.13 0.41 3.72 -1.26 -4.61 117.46 108.20 1wuy n PHE 750 Ca -0.01 0.00 -0.20 0.00 -0.05 0.00 0.00 57.45 57.19 1wuy n PHE 750 Cb 0.18 0.00 -0.05 0.00 -0.94 0.00 0.00 39.48 38.67 1wuy n PHE 750 CO 0.00 0.00 0.00 -1.13 -0.05 0.00 0.00 176.76 175.58 1wuy n SER 751 N 0.45 -0.95 0.13 4.37 3.41 -0.93 -4.80 113.62 115.29 1wuy n SER 751 Ca 0.10 -2.73 -0.13 0.00 -0.26 0.00 0.00 58.87 55.85 1wuy n SER 751 Cb 0.46 0.07 -0.06 0.00 -0.26 0.00 0.00 64.21 64.42 1wuy n SER 751 CO 0.00 0.00 0.00 -0.65 -0.16 0.00 0.00 175.04 174.23 1wuy h PRO 752 N 4.58 -0.54 0.00 4.33 0.11 -1.72 -1.78 132.00 136.99 1wuy h PRO 752 Ca 0.09 0.04 -0.04 0.00 0.11 0.00 0.00 66.00 66.20 1wuy h PRO 752 Cb 0.94 0.12 -0.01 0.00 0.11 0.00 0.00 31.00 32.17 1wuy h PRO 752 CO 0.36 -0.36 -0.18 0.87 -0.21 0.00 0.00 178.00 178.48 1wuy h LYS 753 N -0.56 0.00 -2.59 1.05 1.57 -1.96 -3.29 116.57 110.79 1wuy h LYS 753 Ca 0.02 0.00 -0.60 0.00 -1.87 0.00 0.00 60.65 58.20 1wuy h LYS 753 Cb 0.58 0.00 -0.40 0.00 0.08 0.00 0.00 32.23 32.48 1wuy h LYS 753 CO -0.17 0.18 -0.76 1.04 -0.57 0.00 0.00 179.45 179.17 1wuy n GLN 754 N -4.28 1.34 -0.32 3.15 6.02 -1.04 -4.98 117.38 117.27 1wuy n GLN 754 Ca -0.02 -3.99 0.26 0.00 -0.01 0.00 0.00 57.00 53.24 1wuy n GLN 754 Cb 0.25 -1.97 0.57 0.00 1.02 0.00 0.00 30.24 30.10 1wuy n GLN 754 CO 0.00 0.00 0.00 -1.35 -1.01 0.00 0.00 177.06 174.70 1wuy h PRO 755 N 5.08 0.28 -0.69 -1.09 0.11 -1.41 -1.01 132.00 133.27 1wuy h PRO 755 Ca 0.18 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 66.28 1wuy h PRO 755 Cb 0.80 -0.06 0.00 0.00 0.11 0.00 0.00 31.00 31.84 1wuy h PRO 755 CO 0.61 0.18 0.00 -0.40 -0.21 0.00 0.00 178.00 178.18 1wuy n ASP 756 N -4.53 4.56 -0.28 -2.05 3.85 -1.26 -3.21 116.55 113.64 1wuy n ASP 756 Ca 0.25 -2.30 0.21 0.00 -0.71 0.00 0.00 54.79 52.24 1wuy n ASP 756 Cb 0.97 -0.56 0.51 0.00 -1.35 0.00 0.00 41.12 40.70 1wuy n ASP 756 CO 0.00 0.00 0.00 0.25 -1.01 0.00 0.00 177.20 176.44 1wuy h LEU 757 N 4.24 0.42 -3.52 -2.12 5.85 -1.50 -1.97 115.31 116.72 1wuy h LEU 757 Ca 0.00 0.06 -0.05 0.00 0.84 0.00 0.00 57.88 58.72 1wuy h LEU 757 Cb 1.32 -0.02 -0.03 0.00 0.37 0.00 0.00 40.66 42.30 1wuy h LEU 757 CO 0.16 0.14 0.05 0.49 -0.34 0.00 0.00 178.44 178.94 1wuy n PHE 758 N -4.54 1.83 0.07 1.25 3.01 -1.26 -4.60 117.46 113.21 1wuy n PHE 758 Ca 0.22 -0.90 0.06 0.00 1.01 0.00 0.00 57.45 57.84 1wuy n PHE 758 Cb 0.77 -0.50 0.50 0.00 -0.01 0.00 0.00 39.48 40.24 1wuy n PHE 758 CO 0.00 0.00 0.00 1.57 1.01 0.00 0.00 176.76 179.34 1wuy h LYS 759 N 3.03 0.36 -0.47 -1.08 2.10 -1.68 -2.15 116.57 116.67 1wuy h LYS 759 Ca 0.06 -0.02 -0.10 0.00 -2.00 0.00 0.00 60.65 58.59 1wuy h LYS 759 Cb 1.91 -0.08 -0.02 0.00 -0.90 0.00 0.00 32.23 33.14 1wuy h LYS 759 CO 0.47 0.24 -0.11 -0.44 -2.00 0.00 0.00 179.45 177.61 1wuy h ASP 760 N 0.37 0.87 0.10 7.07 3.32 -1.83 0.68 116.42 126.99 1wuy h ASP 760 Ca 0.12 -0.27 -0.00 0.00 0.02 0.00 0.00 57.03 56.90 1wuy h ASP 760 Cb 0.04 -0.23 0.00 0.00 0.22 0.00 0.00 39.33 39.35 1wuy h ASP 760 CO -0.03 0.99 -0.05 0.40 -1.72 0.00 0.00 179.24 178.84 1wuy h ILE 761 N 0.78 1.10 -0.39 0.35 2.04 -1.76 -1.39 117.51 118.25 1wuy h ILE 761 Ca 0.13 -0.83 0.02 0.00 1.00 0.00 0.00 64.86 65.17 1wuy h ILE 761 Cb 0.63 1.62 -0.03 0.00 -0.74 0.00 0.00 36.82 38.30 1wuy h ILE 761 CO 0.04 0.20 0.23 0.58 0.00 0.00 0.00 178.15 179.20 1wuy h VAL 762 N -0.52 1.04 -0.21 1.67 2.07 -1.39 0.43 116.25 119.33 1wuy h VAL 762 Ca -0.01 -0.16 0.03 0.00 0.82 0.00 0.00 66.70 67.38 1wuy h VAL 762 Cb 0.43 0.54 -0.03 0.00 -1.52 0.00 0.00 31.29 30.71 1wuy h VAL 762 CO 0.02 0.08 0.01 -1.13 0.02 0.00 0.00 177.57 176.58 1wuy h ASN 763 N 0.46 -0.05 0.03 0.57 -1.24 -0.87 -1.42 115.58 113.06 1wuy h ASN 763 Ca 0.15 0.04 -0.00 0.00 0.71 0.00 0.00 56.30 57.21 1wuy h ASN 763 Cb 0.01 0.07 0.00 0.00 0.73 0.00 0.00 38.32 39.13 1wuy h ASN 763 CO -0.07 0.00 -0.02 -0.03 -1.29 0.00 0.00 177.43 176.02 1wuy h MET 764 N 0.09 -0.04 -0.91 6.67 4.05 -0.85 0.67 114.93 124.59 1wuy h MET 764 Ca 0.10 0.00 0.10 0.00 -0.28 0.00 0.00 59.70 59.63 1wuy h MET 764 Cb 0.12 0.01 -0.08 0.00 -0.80 0.00 0.00 31.60 30.85 1wuy h MET 764 CO -0.16 -0.02 0.55 -0.07 0.23 0.00 0.00 176.91 177.44 1wuy h LEU 765 N -0.05 0.80 0.11 3.39 4.07 -0.69 0.14 115.31 123.07 1wuy h LEU 765 Ca -0.00 0.05 -0.27 0.00 0.08 0.00 0.00 57.88 57.73 1wuy h LEU 765 Cb 0.04 -0.11 -0.00 0.00 1.08 0.00 0.00 40.66 41.67 1wuy h LEU 765 CO 0.01 0.44 -1.24 0.24 -1.08 0.00 0.00 178.44 176.81 1wuy h MET 766 N 0.90 0.22 0.00 1.13 2.86 -1.06 -3.40 114.93 115.57 1wuy h MET 766 Ca 0.44 -0.38 -0.03 0.00 -2.06 0.00 0.00 59.70 57.67 1wuy h MET 766 Cb 0.41 0.14 -0.00 0.00 0.06 0.00 0.00 31.60 32.21 1wuy h MET 766 CO -0.25 1.17 -1.16 0.72 1.06 0.00 0.00 176.91 178.45 1wuy n HIS 767 N -3.49 0.00 -2.97 -0.22 8.25 0.21 -4.34 115.22 112.66 1wuy n HIS 767 Ca -0.08 0.00 -0.14 0.00 -0.26 0.00 0.00 57.72 57.24 1wuy n HIS 767 Cb 1.01 -0.10 -0.01 0.00 1.12 0.00 0.00 29.99 32.02 1wuy n HIS 767 CO 0.00 0.00 0.00 0.72 0.64 0.00 0.00 176.34 177.70 1wuy n HIS 768 N -1.86 0.56 -2.95 4.41 8.25 0.44 -5.04 115.22 119.02 1wuy n HIS 768 Ca -0.03 -3.39 -0.44 0.00 -0.26 0.00 0.00 57.72 53.61 1wuy n HIS 768 Cb 0.35 -0.39 -0.04 0.00 1.12 0.00 0.00 29.99 31.02 1wuy n HIS 768 CO 0.00 0.00 0.00 0.34 0.64 0.00 0.00 176.34 177.32 1wuy s ASP 769 N -2.70 6.19 0.53 0.41 3.68 -0.88 -4.79 116.67 119.10 1wuy s ASP 769 Ca 0.35 -1.09 0.32 0.00 2.13 0.00 0.00 52.55 54.25 1wuy s ASP 769 Cb 0.39 -2.38 1.25 0.00 -1.45 0.00 0.00 42.92 40.74 1wuy s ASP 769 CO -0.03 -1.31 1.94 0.03 0.13 0.00 0.00 175.17 175.94 1wuy h ARG 770 N 9.41 0.00 -0.27 4.34 3.08 -1.96 -3.19 114.38 125.79 1wuy h ARG 770 Ca -0.29 0.00 -0.05 0.00 0.07 0.00 0.00 59.98 59.72 1wuy h ARG 770 Cb 1.08 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 31.10 1wuy h ARG 770 CO 1.14 0.03 -0.01 1.19 -1.07 0.00 0.00 179.97 181.25 1wuy n PHE 771 N -3.13 0.93 -3.23 3.04 3.72 -1.26 -5.02 117.46 112.50 1wuy n PHE 771 Ca 0.01 -1.06 -0.13 0.00 -0.05 0.00 0.00 57.45 56.22 1wuy n PHE 771 Cb 0.33 -0.35 0.00 0.00 -0.94 0.00 0.00 39.48 38.53 1wuy n PHE 771 CO 0.00 0.00 0.00 0.36 -0.05 0.00 0.00 176.76 177.07 1wuy n LYS 772 N -0.73 -0.69 -0.22 -1.08 2.85 -1.21 -4.78 118.16 112.31 1wuy n LYS 772 Ca 0.24 0.22 -0.09 0.00 -1.05 0.00 0.00 58.31 57.64 1wuy n LYS 772 Cb 0.92 -0.91 0.03 0.00 -0.65 0.00 0.00 35.03 34.42 1wuy n LYS 772 CO 0.00 0.00 0.00 0.28 -0.05 0.00 0.00 177.40 177.63 1wuy h VAL 773 N 0.44 1.26 -0.54 0.58 2.07 -1.93 -3.00 116.25 115.14 1wuy h VAL 773 Ca -0.29 -1.07 -0.08 0.00 0.82 0.00 0.00 66.70 66.07 1wuy h VAL 773 Cb 0.63 0.75 -0.02 0.00 -1.52 0.00 0.00 31.29 31.12 1wuy h VAL 773 CO 0.18 0.39 -0.00 -0.26 0.02 0.00 0.00 177.57 177.90 1wuy h PHE 774 N 0.95 1.00 -0.39 1.57 0.05 -1.91 -3.01 116.94 115.19 1wuy h PHE 774 Ca 0.18 -0.16 0.11 0.00 3.82 0.00 0.00 57.97 61.93 1wuy h PHE 774 Cb 0.48 -0.27 -0.02 0.00 2.00 0.00 0.00 35.95 38.15 1wuy h PHE 774 CO 0.04 0.90 0.31 0.00 -0.18 0.00 0.00 178.31 179.37 1wuy h ALA 775 N 1.14 2.28 -0.12 2.45 0.00 -1.90 -1.84 119.26 121.28 1wuy h ALA 775 Ca 0.16 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.05 1wuy h ALA 775 Cb 0.51 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.32 1wuy h ALA 775 CO 0.02 -0.51 0.00 -0.25 0.00 0.00 0.00 179.25 178.51 1wuy n ASP 776 N -4.24 2.60 0.40 0.00 8.00 -1.15 -4.70 116.55 117.46 1wuy n ASP 776 Ca 0.07 -1.76 -0.19 0.00 0.71 0.00 0.00 54.79 53.62 1wuy n ASP 776 Cb 0.50 -0.07 -0.09 0.00 -0.02 0.00 0.00 41.12 41.44 1wuy n ASP 776 CO 0.00 0.00 0.00 0.22 -0.39 0.00 0.00 177.20 177.03 1wuy h TYR 777 N 3.29 -1.27 -0.21 1.24 5.03 -1.21 -1.10 116.97 122.74 1wuy h TYR 777 Ca 0.00 -0.01 0.06 0.00 2.58 0.00 0.00 58.73 61.36 1wuy h TYR 777 Cb 0.73 0.46 -0.07 0.00 1.55 0.00 0.00 36.73 39.41 1wuy h TYR 777 CO 0.07 -0.70 -0.23 0.93 -1.32 0.00 0.00 178.16 176.91 1wuy h GLU 778 N -1.13 -0.25 0.00 1.82 5.08 -1.84 -1.13 114.58 117.13 1wuy h GLU 778 Ca -0.10 0.02 -0.04 0.00 -1.00 0.00 0.00 59.36 58.24 1wuy h GLU 778 Cb 0.92 0.06 -0.01 0.00 0.50 0.00 0.00 28.75 30.22 1wuy h GLU 778 CO 0.08 -0.16 -0.19 0.93 -1.00 0.00 0.00 179.01 178.67 1wuy h GLU 779 N -0.26 0.00 -0.07 2.33 5.08 -1.87 -2.45 114.58 117.34 1wuy h GLU 779 Ca 0.13 0.00 -0.03 0.00 -1.00 0.00 0.00 59.36 58.46 1wuy h GLU 779 Cb 0.45 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.70 1wuy h GLU 779 CO -0.36 0.19 -0.06 -0.92 -1.00 0.00 0.00 179.01 176.86 1wuy h TYR 780 N 0.00 0.20 0.00 4.33 3.20 -0.03 -1.96 116.97 122.72 1wuy h TYR 780 Ca -0.00 -0.06 -0.10 0.00 3.14 0.00 0.00 58.73 61.71 1wuy h TYR 780 Cb 0.35 -0.04 -0.01 0.00 1.54 0.00 0.00 36.73 38.57 1wuy h TYR 780 CO 0.00 0.59 -0.46 -0.39 -1.64 0.00 0.00 178.16 176.27 1wuy h VAL 781 N -0.25 1.10 -0.24 1.81 -1.51 -1.21 -1.55 116.25 114.40 1wuy h VAL 781 Ca 0.01 -1.71 -0.04 0.00 -1.23 0.00 0.00 66.70 63.74 1wuy h VAL 781 Cb 0.56 1.98 -0.01 0.00 -2.13 0.00 0.00 31.29 31.69 1wuy h VAL 781 CO 0.02 0.45 -0.00 0.50 -1.23 0.00 0.00 177.57 177.30 1wuy h LYS 782 N 0.00 0.42 -0.16 5.19 1.63 -1.45 -2.27 116.57 119.92 1wuy h LYS 782 Ca -0.00 -0.14 -0.06 0.00 -0.85 0.00 0.00 60.65 59.60 1wuy h LYS 782 Cb 0.95 -0.04 -0.01 0.00 -0.60 0.00 0.00 32.23 32.53 1wuy h LYS 782 CO 0.06 0.60 -0.17 0.00 -3.45 0.00 0.00 179.45 176.49 1wuy h GLN 784 N 0.25 0.00 -0.46 0.00 1.08 -1.07 -2.53 115.11 112.38 1wuy h GLN 784 Ca 0.05 0.00 -0.12 0.00 -1.45 0.00 0.00 58.65 57.12 1wuy h GLN 784 Cb 0.46 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 27.87 1wuy h GLN 784 CO 0.03 0.32 -0.19 0.93 -0.95 0.00 0.00 178.83 178.97 1wuy h GLU 785 N 0.00 0.95 -0.07 1.46 5.08 -0.77 -2.86 114.58 118.37 1wuy h GLU 785 Ca -0.00 -0.40 -0.06 0.00 -1.00 0.00 0.00 59.36 57.90 1wuy h GLU 785 Cb 0.68 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.88 1wuy h GLU 785 CO 0.04 1.06 -0.24 0.00 -1.00 0.00 0.00 179.01 178.88 1wuy h ARG 786 N 0.79 0.12 -0.01 2.33 3.08 -1.33 -1.71 114.38 117.65 1wuy h ARG 786 Ca 0.11 -0.03 -0.19 0.00 0.07 0.00 0.00 59.98 59.94 1wuy h ARG 786 Cb 0.76 -0.01 -0.01 0.00 0.08 0.00 0.00 29.97 30.79 1wuy h ARG 786 CO 0.06 0.36 -0.83 -0.39 -1.07 0.00 0.00 179.97 178.10 1wuy h VAL 787 N 0.11 1.49 -0.30 2.04 -1.51 -1.42 -2.47 116.25 114.19 1wuy h VAL 787 Ca 0.02 -2.54 -0.10 0.00 -1.23 0.00 0.00 66.70 62.85 1wuy h VAL 787 Cb 0.49 2.40 -0.01 0.00 -2.13 0.00 0.00 31.29 32.03 1wuy h VAL 787 CO 0.03 0.74 -0.22 0.28 -1.23 0.00 0.00 177.57 177.17 1wuy h SER 788 N 0.10 0.57 -0.42 4.19 0.02 -1.24 -0.82 113.55 115.95 1wuy h SER 788 Ca -0.03 -0.19 -0.05 0.00 -0.84 0.00 0.00 61.79 60.67 1wuy h SER 788 Cb 1.44 -0.15 -0.02 0.00 0.14 0.00 0.00 62.40 63.81 1wuy h SER 788 CO 0.12 0.79 0.05 0.00 -1.14 0.00 0.00 176.83 176.65 1wuy h ALA 789 N 1.26 0.56 -0.27 3.77 0.00 -1.18 -2.87 119.26 120.52 1wuy h ALA 789 Ca 0.08 -0.23 -0.14 0.00 0.00 0.00 0.00 54.91 54.62 1wuy h ALA 789 Cb 0.66 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.28 1wuy h ALA 789 CO 0.05 0.29 -0.39 1.25 0.00 0.00 0.00 179.25 180.45 1wuy h LEU 790 N 0.55 0.67 -2.01 0.00 6.46 -1.22 -2.90 115.31 116.86 1wuy h LEU 790 Ca 0.12 -0.29 -0.02 0.00 -0.12 0.00 0.00 57.88 57.57 1wuy h LEU 790 Cb 0.41 -0.19 -0.00 0.00 -0.73 0.00 0.00 40.66 40.15 1wuy h LEU 790 CO 0.01 0.99 -0.10 0.22 -0.62 0.00 0.00 178.44 178.94 1wuy h TYR 791 N 0.52 0.00 0.00 1.25 3.20 -1.05 0.21 116.97 121.10 1wuy h TYR 791 Ca 0.05 0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.92 1wuy h TYR 791 Cb 0.91 0.00 0.00 0.00 1.54 0.00 0.00 36.73 39.18 1wuy h TYR 791 CO 0.04 0.10 0.00 1.63 -1.64 0.00 0.00 178.16 178.29 1wuy n LYS 792 N -3.72 0.07 -3.73 1.82 5.02 -1.09 -3.74 118.16 112.78 1wuy n LYS 792 Ca -0.02 0.31 -0.28 0.00 -2.02 0.00 0.00 58.31 56.30 1wuy n LYS 792 Cb 0.21 -1.63 -0.10 0.00 -0.02 0.00 0.00 35.03 33.48 1wuy n LYS 792 CO 0.00 0.00 0.00 -1.71 -0.52 0.00 0.00 177.40 175.17 1wuy n ASN 793 N -1.77 3.36 -0.32 4.39 2.85 0.06 -4.99 115.26 118.86 1wuy n ASN 793 Ca 0.03 -3.29 -0.05 0.00 -0.11 0.00 0.00 54.58 51.17 1wuy n ASN 793 Cb 0.19 -0.75 -0.02 0.00 1.24 0.00 0.00 39.78 40.43 1wuy n ASN 793 CO 0.00 0.00 0.00 -2.65 -2.11 0.00 0.00 177.26 172.50 1wuy n PRO 794 N 1.63 -0.27 -0.17 1.20 -0.02 -1.25 -1.31 135.00 134.82 1wuy n PRO 794 Ca 0.23 1.19 -0.02 0.00 -2.02 0.00 0.00 63.50 62.89 1wuy n PRO 794 Cb 0.37 -1.76 0.07 0.00 -0.02 0.00 0.00 33.50 32.16 1wuy n PRO 794 CO 0.00 0.00 0.00 -0.09 1.98 0.00 0.00 175.50 177.39 1wuy h ARG 795 N 0.00 0.19 -0.11 -0.52 2.43 -1.94 0.02 114.38 114.45 1wuy h ARG 795 Ca 0.20 -0.01 -0.17 0.00 -0.81 0.00 0.00 59.98 59.19 1wuy h ARG 795 Cb 0.39 -0.04 -0.01 0.00 -0.42 0.00 0.00 29.97 29.89 1wuy h ARG 795 CO -0.76 0.12 -0.65 0.93 -1.51 0.00 0.00 179.97 178.11 1wuy h GLU 796 N 0.19 0.42 -0.09 0.20 4.39 -1.54 -1.72 114.58 116.43 1wuy h GLU 796 Ca 0.26 -0.31 -0.00 0.00 0.34 0.00 0.00 59.36 59.65 1wuy h GLU 796 Cb 0.38 0.05 -0.00 0.00 -0.10 0.00 0.00 28.75 29.08 1wuy h GLU 796 CO -0.37 0.93 0.04 2.35 -1.16 0.00 0.00 179.01 180.79 1wuy h TRP 797 N 0.30 0.14 -0.33 4.33 2.91 -0.68 -1.27 115.95 121.35 1wuy h TRP 797 Ca -0.01 -0.01 -0.04 0.00 1.13 0.00 0.00 58.89 59.96 1wuy h TRP 797 Cb 1.20 -0.04 -0.02 0.00 -0.51 0.00 0.00 29.16 29.79 1wuy h TRP 797 CO 0.04 0.23 0.05 1.15 -1.03 0.00 0.00 178.44 178.88 1wuy h THR 798 N 0.01 1.17 -0.16 2.65 2.02 -0.96 -0.69 112.91 116.94 1wuy h THR 798 Ca 0.03 -0.64 -0.15 0.00 0.77 0.00 0.00 66.41 66.43 1wuy h THR 798 Cb 0.15 0.86 -0.01 0.00 -1.74 0.00 0.00 68.15 67.41 1wuy h THR 798 CO -0.00 0.22 -0.52 0.03 0.37 0.00 0.00 175.52 175.62 1wuy h ARG 799 N 0.49 0.45 -0.21 6.66 3.08 -1.03 -1.18 114.38 122.64 1wuy h ARG 799 Ca 0.11 -0.27 -0.15 0.00 0.07 0.00 0.00 59.98 59.74 1wuy h ARG 799 Cb 0.24 0.02 -0.01 0.00 0.08 0.00 0.00 29.97 30.30 1wuy h ARG 799 CO 0.00 0.86 -0.48 1.98 -1.07 0.00 0.00 179.97 181.26 1wuy h MET 800 N 0.35 0.57 -0.66 0.04 4.05 -0.64 -2.58 114.93 116.05 1wuy h MET 800 Ca 0.01 -0.32 0.00 0.00 -0.28 0.00 0.00 59.70 59.11 1wuy h MET 800 Cb 1.03 0.02 -0.03 0.00 -0.80 0.00 0.00 31.60 31.82 1wuy h MET 800 CO 0.09 0.92 0.41 0.28 0.23 0.00 0.00 176.91 178.85 1wuy h VAL 801 N 0.45 1.18 -0.59 -5.77 2.07 -0.77 -1.86 116.25 110.96 1wuy h VAL 801 Ca 0.02 -0.37 -0.01 0.00 0.82 0.00 0.00 66.70 67.16 1wuy h VAL 801 Cb 1.01 0.25 -0.03 0.00 -1.52 0.00 0.00 31.29 30.99 1wuy h VAL 801 CO 0.09 0.18 0.32 0.40 0.02 0.00 0.00 177.57 178.59 1wuy h ILE 802 N 0.89 1.18 0.00 4.57 2.04 -1.04 -1.32 117.51 123.83 1wuy h ILE 802 Ca 0.24 -0.44 -0.07 0.00 1.00 0.00 0.00 64.86 65.59 1wuy h ILE 802 Cb -0.06 0.38 -0.01 0.00 -0.74 0.00 0.00 36.82 36.39 1wuy h ILE 802 CO -0.05 0.20 -0.31 -0.09 0.00 0.00 0.00 178.15 177.90 1wuy h ARG 803 N 0.82 0.00 0.02 2.37 9.65 -0.96 -0.96 114.38 125.31 1wuy h ARG 803 Ca 0.21 0.00 -0.00 0.00 -1.10 0.00 0.00 59.98 59.09 1wuy h ARG 803 Cb 0.02 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 28.60 1wuy h ARG 803 CO -0.04 0.31 -0.01 -0.91 2.80 0.00 0.00 179.97 182.13 1wuy h ASN 804 N 0.00 -0.02 -0.22 -3.80 2.35 -0.71 -3.17 115.58 110.01 1wuy h ASN 804 Ca -0.00 -0.74 0.03 0.00 -0.55 0.00 0.00 56.30 55.04 1wuy h ASN 804 Cb 0.56 0.00 -0.03 0.00 0.05 0.00 0.00 38.32 38.91 1wuy h ASN 804 CO 0.04 0.81 0.05 0.40 -1.65 0.00 0.00 177.43 177.08 1wuy h ILE 805 N -0.94 0.91 0.00 2.81 2.04 -1.26 -1.53 117.51 119.54 1wuy h ILE 805 Ca -0.00 -0.05 0.00 0.00 1.00 0.00 0.00 64.86 65.81 1wuy h ILE 805 Cb 0.75 0.76 0.00 0.00 -0.74 0.00 0.00 36.82 37.59 1wuy h ILE 805 CO 0.00 0.03 0.00 0.00 0.00 0.00 0.00 178.15 178.18 1wuy n ALA 806 N -2.28 1.36 -0.28 1.87 0.00 -0.37 -2.24 120.51 118.57 1wuy n ALA 806 Ca -0.02 0.12 0.04 0.00 0.00 0.00 0.00 53.44 53.57 1wuy n ALA 806 Cb 0.09 -1.32 0.09 0.00 0.00 0.00 0.00 19.45 18.31 1wuy n ALA 806 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 177.50 175.13 1wuy n THR 807 N -2.14 1.22 0.89 0.00 5.66 -0.65 -2.31 114.28 116.96 1wuy n THR 807 Ca 0.01 -1.24 0.12 0.00 -3.05 0.00 0.00 64.05 59.89 1wuy n THR 807 Cb 0.13 0.34 0.28 0.00 -1.55 0.00 0.00 70.33 69.53 1wuy n THR 807 CO 0.00 0.00 0.00 -1.54 -3.05 0.00 0.00 175.07 170.48 1wuy n SER 808 N -0.30 0.48 -0.45 1.09 3.41 -0.78 -4.44 113.62 112.64 1wuy n SER 808 Ca 0.08 -0.04 0.37 0.00 -0.26 0.00 0.00 58.87 59.01 1wuy n SER 808 Cb 0.41 0.11 0.66 0.00 -0.26 0.00 0.00 64.21 65.13 1wuy n SER 808 CO 0.00 0.00 0.00 1.23 -0.16 0.00 0.00 175.04 176.11 1wuy h GLY 809 N 4.87 1.07 2.00 5.00 0.00 -1.77 -0.12 103.07 114.12 1wuy h GLY 809 Ca 0.00 -0.10 -0.00 0.00 0.00 0.00 0.00 47.33 47.22 1wuy h GLY 809 CO 0.00 -0.30 -0.01 1.70 0.00 0.00 0.00 176.54 177.93 1wuy h LYS 810 N 0.10 0.00 -0.88 4.80 3.64 -1.87 -3.04 116.57 119.32 1wuy h LYS 810 Ca 0.79 0.00 -0.10 0.00 -1.27 0.00 0.00 60.65 60.07 1wuy h LYS 810 Cb 2.56 0.00 -0.06 0.00 -0.41 0.00 0.00 32.23 34.32 1wuy h LYS 810 CO -0.33 0.01 0.12 1.19 -2.27 0.00 0.00 179.45 178.17 1wuy n PHE 811 N -3.92 1.18 -3.09 1.91 3.01 -0.06 -4.81 117.46 111.68 1wuy n PHE 811 Ca -0.03 -0.66 -0.37 0.00 1.01 0.00 0.00 57.45 57.41 1wuy n PHE 811 Cb 0.09 -0.41 -0.06 0.00 -0.01 0.00 0.00 39.48 39.09 1wuy n PHE 811 CO 0.00 0.00 0.00 0.45 1.01 0.00 0.00 176.76 178.22 1wuy s SER 812 N -0.26 7.10 0.00 4.37 0.15 -1.15 -1.00 113.70 122.92 1wuy s SER 812 Ca 0.26 1.44 0.19 0.00 0.70 0.00 0.00 55.95 58.55 1wuy s SER 812 Cb 0.21 -2.43 0.90 0.00 -1.71 0.00 0.00 66.02 63.00 1wuy s SER 812 CO 0.07 0.07 1.61 -1.54 1.20 0.00 0.00 173.24 174.64 1wuy n SER 813 N 0.89 0.00 0.12 5.45 3.41 0.53 -2.06 113.62 121.96 1wuy n SER 813 Ca -0.03 0.23 -0.03 0.00 -0.26 0.00 0.00 58.87 58.78 1wuy n SER 813 Cb 0.51 -0.38 0.15 0.00 -0.26 0.00 0.00 64.21 64.22 1wuy n SER 813 CO 0.00 0.00 0.00 0.44 -0.16 0.00 0.00 175.04 175.32 1wuy h ASP 814 N 0.00 0.11 -0.00 4.04 3.32 -1.92 0.17 116.42 122.13 1wuy h ASP 814 Ca 0.00 -0.06 -0.10 0.00 0.02 0.00 0.00 57.03 56.89 1wuy h ASP 814 Cb 0.25 -0.03 0.01 0.00 0.22 0.00 0.00 39.33 39.78 1wuy h ASP 814 CO 0.00 0.69 -0.40 -0.09 -1.72 0.00 0.00 179.24 177.73 1wuy h ARG 815 N 0.07 0.27 -0.28 3.56 1.12 -1.74 -2.13 114.38 115.26 1wuy h ARG 815 Ca -0.01 -0.29 0.04 0.00 -1.11 0.00 0.00 59.98 58.61 1wuy h ARG 815 Cb 1.10 0.08 -0.03 0.00 -0.01 0.00 0.00 29.97 31.11 1wuy h ARG 815 CO 0.09 1.00 0.07 1.15 -3.11 0.00 0.00 179.97 179.17 1wuy h THR 816 N -0.33 0.89 -0.61 0.20 2.02 -1.48 -1.98 112.91 111.62 1wuy h THR 816 Ca -0.05 -0.06 -0.09 0.00 0.77 0.00 0.00 66.41 66.97 1wuy h THR 816 Cb 1.14 0.69 -0.02 0.00 -1.74 0.00 0.00 68.15 68.21 1wuy h THR 816 CO 0.08 0.03 0.02 0.40 0.37 0.00 0.00 175.52 176.42 1wuy h ILE 817 N 0.18 1.26 -0.32 3.11 1.08 -1.03 -1.49 117.51 120.31 1wuy h ILE 817 Ca 0.13 -1.13 -0.00 0.00 -0.39 0.00 0.00 64.86 63.47 1wuy h ILE 817 Cb 0.12 0.77 -0.02 0.00 -3.07 0.00 0.00 36.82 34.62 1wuy h ILE 817 CO -0.16 0.41 0.19 0.00 -0.69 0.00 0.00 178.15 177.91 1wuy h ALA 818 N 1.03 1.74 -0.00 1.87 0.00 -1.11 0.45 119.26 123.24 1wuy h ALA 818 Ca 0.18 -0.04 -0.24 0.00 0.00 0.00 0.00 54.91 54.81 1wuy h ALA 818 Cb 0.53 -0.13 0.01 0.00 0.00 0.00 0.00 17.79 18.20 1wuy h ALA 818 CO 0.03 0.23 -0.98 1.96 0.00 0.00 0.00 179.25 180.49 1wuy h GLN 819 N 0.44 0.54 -0.32 0.00 4.20 -0.82 -1.88 115.11 117.27 1wuy h GLN 819 Ca 0.12 -0.57 -0.05 0.00 0.06 0.00 0.00 58.65 58.21 1wuy h GLN 819 Cb -0.02 0.16 -0.01 0.00 0.30 0.00 0.00 27.48 27.91 1wuy h GLN 819 CO -0.02 1.20 0.02 1.88 -0.67 0.00 0.00 178.83 181.24 1wuy h TYR 820 N 0.31 0.59 -0.01 2.96 0.05 -0.81 0.88 116.97 120.94 1wuy h TYR 820 Ca -0.10 -0.10 0.02 0.00 0.05 0.00 0.00 58.73 58.60 1wuy h TYR 820 Cb 1.62 -0.16 -0.02 0.00 1.01 0.00 0.00 36.73 39.18 1wuy h TYR 820 CO 0.08 0.65 -0.09 0.00 -1.05 0.00 0.00 178.16 177.75 1wuy h ALA 821 N 0.86 -0.09 0.05 3.88 0.00 -0.94 0.18 119.26 123.20 1wuy h ALA 821 Ca 0.09 0.01 -0.21 0.00 0.00 0.00 0.00 54.91 54.80 1wuy h ALA 821 Cb 0.41 0.17 0.02 0.00 0.00 0.00 0.00 17.79 18.38 1wuy h ALA 821 CO 0.01 -0.58 -0.86 0.00 0.00 0.00 0.00 179.25 177.82 1wuy h ARG 822 N -0.16 0.49 0.00 0.00 3.08 -1.32 0.44 114.38 116.90 1wuy h ARG 822 Ca 0.04 -0.60 0.00 0.00 0.07 0.00 0.00 59.98 59.49 1wuy h ARG 822 Cb 0.21 0.19 0.00 0.00 0.08 0.00 0.00 29.97 30.44 1wuy h ARG 822 CO -0.10 1.23 -0.64 0.39 -1.07 0.00 0.00 179.97 179.77 1wuy n GLU 823 N -4.05 0.04 0.00 0.04 1.02 0.30 -4.29 120.64 113.70 1wuy n GLU 823 Ca -0.12 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.02 1wuy n GLU 823 Cb 0.81 -1.52 0.00 0.00 -0.02 0.00 0.00 31.44 30.71 1wuy n GLU 823 CO 0.00 0.00 0.00 -0.89 1.18 0.00 0.00 177.13 177.42 1wuy n ILE 824 N -1.57 0.00 0.06 -3.67 5.41 0.40 -4.90 119.36 115.10 1wuy n ILE 824 Ca 0.05 0.00 -0.04 0.00 1.00 0.00 0.00 62.75 63.75 1wuy n ILE 824 Cb 0.35 -0.99 -0.09 0.00 -0.71 0.00 0.00 39.64 38.20 1wuy n ILE 824 CO 0.00 0.00 0.00 -0.50 0.00 0.00 0.00 176.55 176.05 1wuy h TRP 825 N 0.00 0.00 -0.38 1.39 6.55 -0.89 -3.49 115.95 119.13 1wuy h TRP 825 Ca 0.00 0.00 0.00 0.00 0.95 0.00 0.00 58.89 59.84 1wuy h TRP 825 Cb 0.59 0.00 0.00 0.00 -0.86 0.00 0.00 29.16 28.89 1wuy h TRP 825 CO 0.00 0.85 0.00 0.41 -1.05 0.00 0.00 178.44 178.65 1wuy n GLY 826 N 1.36 0.60 3.32 1.49 0.00 0.14 -4.97 105.19 107.13 1wuy n GLY 826 Ca -0.03 -0.81 -0.22 0.00 0.00 0.00 0.00 46.02 44.96 1wuy n GLY 826 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1wuy s VAL 827 N -2.38 1.80 -0.28 1.61 -7.23 -0.28 -5.01 120.40 108.63 1wuy s VAL 827 Ca 0.00 -1.84 -0.09 0.00 -1.81 0.00 0.00 61.98 58.24 1wuy s VAL 827 Cb 0.00 -1.79 -0.03 0.00 0.56 0.00 0.00 36.38 35.12 1wuy s VAL 827 CO 0.00 -0.26 0.13 -1.61 -0.31 0.00 0.00 175.10 173.05 1wuy s GLU 828 N -2.62 3.64 0.87 4.82 0.41 -1.26 -3.57 118.70 120.99 1wuy s GLU 828 Ca 0.14 -0.51 -0.11 0.00 -0.41 0.00 0.00 54.97 54.08 1wuy s GLU 828 Cb -0.07 -3.50 0.12 0.00 -1.78 0.00 0.00 34.13 28.90 1wuy s GLU 828 CO 0.06 -0.26 1.16 -1.25 -0.49 0.00 0.00 175.26 174.48 1wuy s PRO 829 N 1.66 1.33 -0.16 0.39 0.04 -1.26 -4.98 135.00 132.02 1wuy s PRO 829 Ca 0.06 1.59 -0.09 0.00 0.04 0.00 0.00 61.00 62.60 1wuy s PRO 829 Cb -0.16 -1.76 0.06 0.00 0.04 0.00 0.00 34.50 32.68 1wuy s PRO 829 CO 0.07 -2.41 0.39 0.45 0.04 0.00 0.00 177.00 175.54 1wuy s SER 830 N -2.56 -0.48 -0.41 6.66 0.15 -0.42 -5.02 113.70 111.62 1wuy s SER 830 Ca 0.68 0.86 0.03 0.00 0.70 0.00 0.00 55.95 58.22 1wuy s SER 830 Cb -0.24 0.75 0.55 0.00 -1.71 0.00 0.00 66.02 65.37 1wuy s SER 830 CO 0.55 -0.19 1.82 0.54 1.20 0.00 0.00 173.24 177.16 1wuy n ARG 831 N 4.31 2.12 -2.94 5.44 5.12 -1.26 -3.21 116.66 126.23 1wuy n ARG 831 Ca -0.23 -2.61 -0.40 0.00 -1.93 0.00 0.00 57.85 52.67 1wuy n ARG 831 Cb 0.55 -2.02 -0.04 0.00 -1.16 0.00 0.00 32.46 29.78 1wuy n ARG 831 CO 0.00 0.00 0.00 -0.65 -1.93 0.00 0.00 177.63 175.05 1wuy s GLN 832 N -2.89 4.48 0.16 5.56 -0.21 -1.26 -5.02 119.66 120.49 1wuy s GLN 832 Ca 0.50 1.06 -0.31 0.00 0.02 0.00 0.00 55.36 56.63 1wuy s GLN 832 Cb 0.42 -3.43 -0.09 0.00 1.00 0.00 0.00 33.01 30.90 1wuy s GLN 832 CO 0.08 0.09 1.43 1.03 -2.12 0.00 0.00 175.29 175.80 1wuy s ARG 833 N 0.65 4.29 0.41 2.91 3.00 -1.26 -4.94 118.95 124.01 1wuy s ARG 833 Ca 0.41 2.19 -0.24 0.00 0.00 0.00 0.00 55.73 58.09 1wuy s ARG 833 Cb -0.19 -3.19 -0.09 0.00 0.00 0.00 0.00 34.95 31.48 1wuy s ARG 833 CO 0.22 -0.45 1.09 -1.17 0.00 0.00 0.00 175.30 174.98 1wuy s LEU 834 N 0.68 4.14 -0.12 2.53 2.96 0.65 -4.82 118.68 124.70 1wuy s LEU 834 Ca 0.64 2.14 -0.13 0.00 -0.22 0.00 0.00 54.13 56.56 1wuy s LEU 834 Cb -0.39 -4.16 -0.15 0.00 0.50 0.00 0.00 46.19 41.99 1wuy s LEU 834 CO 0.34 -0.58 1.10 -0.81 -1.32 0.00 0.00 176.35 175.07 1wuy n PRO 835 N -0.09 0.01 -0.59 0.98 -0.04 -1.26 -4.74 135.00 129.27 1wuy n PRO 835 Ca 0.05 -0.51 0.04 0.00 -0.04 0.00 0.00 63.50 63.05 1wuy n PRO 835 Cb 0.49 -1.80 -0.01 0.00 -0.04 0.00 0.00 33.50 32.13 1wuy n PRO 835 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1wuy n ALA 836 N 7.26 -2.43 1.45 0.55 0.00 -1.26 -5.16 120.51 120.92 1wuy n ALA 836 Ca 0.19 0.15 0.14 0.00 0.00 0.00 0.00 53.44 53.92 1wuy n ALA 836 Cb 0.37 -0.71 0.48 0.00 0.00 0.00 0.00 19.45 19.59 1wuy n ALA 836 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15