#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1upl h ASP 14 N 0.00 0.47 -0.50 0.00 3.32 -2.05 -2.25 116.42 115.42 1upl h ASP 14 Ca 0.00 0.11 0.02 0.00 0.02 0.00 0.00 57.03 57.18 1upl h ASP 14 Cb 0.00 0.04 -0.03 0.00 0.22 0.00 0.00 39.33 39.55 1upl h ASP 14 CO 0.00 0.04 0.30 0.40 -1.72 0.00 0.00 179.24 178.26 1upl h ILE 15 N 0.39 1.06 -0.89 0.35 5.03 -2.00 0.60 117.51 122.05 1upl h ILE 15 Ca 0.64 -0.20 0.01 0.00 -0.12 0.00 0.00 64.86 65.18 1upl h ILE 15 Cb 1.58 0.41 -0.04 0.00 -3.03 0.00 0.00 36.82 35.74 1upl h ILE 15 CO -0.37 0.11 0.59 0.58 -0.68 0.00 0.00 178.15 178.38 1upl h VAL 16 N 0.60 1.23 0.12 1.67 2.07 -1.83 -2.09 116.25 118.01 1upl h VAL 16 Ca 0.20 -0.43 -0.28 0.00 0.82 0.00 0.00 66.70 67.02 1upl h VAL 16 Cb 0.01 -0.08 0.01 0.00 -1.52 0.00 0.00 31.29 29.72 1upl h VAL 16 CO -0.09 0.22 -1.21 0.50 0.02 0.00 0.00 177.57 177.02 1upl h LYS 17 N 1.21 0.40 -0.57 1.57 3.64 -1.25 -2.71 116.57 118.86 1upl h LYS 17 Ca 0.33 -0.59 -0.02 0.00 -1.27 0.00 0.00 60.65 59.09 1upl h LYS 17 Cb -0.13 0.20 -0.03 0.00 -0.41 0.00 0.00 32.23 31.86 1upl h LYS 17 CO -0.07 1.25 0.26 -0.91 -2.27 0.00 0.00 179.45 177.71 1upl h ASN 18 N 0.16 0.74 -0.52 4.20 2.35 -0.76 0.23 115.58 121.98 1upl h ASN 18 Ca -0.15 -0.08 -0.06 0.00 -0.55 0.00 0.00 56.30 55.46 1upl h ASN 18 Cb 1.90 -0.19 -0.02 0.00 0.05 0.00 0.00 38.32 40.06 1upl h ASN 18 CO 0.21 0.64 0.08 0.25 -1.65 0.00 0.00 177.43 176.96 1upl h LEU 19 N 0.81 0.83 -0.27 1.61 5.85 -1.33 0.65 115.31 123.45 1upl h LEU 19 Ca 0.20 -0.26 -0.07 0.00 0.84 0.00 0.00 57.88 58.59 1upl h LEU 19 Cb 0.11 -0.22 -0.01 0.00 0.37 0.00 0.00 40.66 40.92 1upl h LEU 19 CO -0.02 0.88 -0.09 0.50 -0.34 0.00 0.00 178.44 179.36 1upl h LYS 20 N 0.74 0.54 -0.83 1.25 1.63 -1.09 -2.96 116.57 115.85 1upl h LYS 20 Ca 0.16 -0.22 -0.02 0.00 -0.85 0.00 0.00 60.65 59.72 1upl h LYS 20 Cb 0.41 -0.02 -0.04 0.00 -0.60 0.00 0.00 32.23 31.97 1upl h LYS 20 CO 0.01 0.77 0.45 0.93 -3.45 0.00 0.00 179.45 178.16 1upl h GLU 21 N 0.29 1.16 -1.29 1.90 5.08 -0.31 -1.95 114.58 119.45 1upl h GLU 21 Ca 0.07 -0.14 0.00 0.00 -1.00 0.00 0.00 59.36 58.29 1upl h GLU 21 Cb 0.58 -0.23 0.00 0.00 0.50 0.00 0.00 28.75 29.61 1upl h GLU 21 CO 0.03 0.86 0.00 0.45 -1.00 0.00 0.00 179.01 179.35 1upl n SER 22 N -4.38 1.98 0.00 1.42 2.88 0.22 -2.68 113.62 113.06 1upl n SER 22 Ca 0.08 -1.36 0.00 0.00 -1.33 0.00 0.00 58.87 56.26 1upl n SER 22 Cb 0.10 -0.34 0.00 0.00 -0.75 0.00 0.00 64.21 63.22 1upl n SER 22 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1upl n ALA 24 N 0.64 0.00 -0.16 -1.46 0.00 -0.74 -3.31 120.51 115.49 1upl n ALA 24 Ca 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 53.44 53.36 1upl n ALA 24 Cb 0.33 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.79 1upl n ALA 24 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1upl h VAL 25 N 0.00 1.20 0.00 0.00 2.07 -1.79 -2.38 116.25 115.35 1upl h VAL 25 Ca 0.00 -0.59 -0.04 0.00 0.82 0.00 0.00 66.70 66.90 1upl h VAL 25 Cb 0.00 0.74 -0.01 0.00 -1.52 0.00 0.00 31.29 30.51 1upl h VAL 25 CO 0.00 0.22 -0.17 -0.07 0.02 0.00 0.00 177.57 177.57 1upl h LEU 26 N 0.59 0.00 0.00 2.57 3.38 -1.87 -2.97 115.31 117.02 1upl h LEU 26 Ca 0.15 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.12 1upl h LEU 26 Cb 0.16 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.91 1upl h LEU 26 CO -0.02 0.17 0.00 1.21 0.09 0.00 0.00 178.44 179.90 1upl n GLU 27 N -3.80 0.14 0.00 1.13 2.13 -0.90 -4.62 120.64 114.73 1upl n GLU 27 Ca -0.02 0.18 0.00 0.00 0.66 0.00 0.00 57.16 57.98 1upl n GLU 27 Cb 0.28 -1.50 0.00 0.00 0.27 0.00 0.00 31.44 30.49 1upl n GLU 27 CO 0.00 0.00 0.00 1.63 -0.41 0.00 0.00 177.13 178.35 1upl n LYS 28 N -1.35 3.57 -3.33 5.31 5.02 -1.12 -5.10 118.16 121.16 1upl n LYS 28 Ca 0.06 0.00 -0.13 0.00 -2.02 0.00 0.00 58.31 56.22 1upl n LYS 28 Cb 0.13 0.00 -0.06 0.00 -0.02 0.00 0.00 35.03 35.08 1upl n LYS 28 CO 0.00 0.00 0.00 -0.65 -0.52 0.00 0.00 177.40 176.23 1upl s GLN 29 N 3.24 0.68 0.00 1.97 -0.21 -1.26 -5.13 119.66 118.95 1upl s GLN 29 Ca 0.00 -0.74 0.00 0.00 0.02 0.00 0.00 55.36 54.64 1upl s GLN 29 Cb 0.00 -0.56 0.00 0.00 1.00 0.00 0.00 33.01 33.45 1upl s GLN 29 CO 0.00 -1.19 0.00 1.63 -2.12 0.00 0.00 175.29 173.61 1upl n LYS 35 N 4.28 0.00 -0.29 2.91 5.02 -1.26 -5.16 118.16 123.66 1upl n LYS 35 Ca 0.11 0.00 0.03 0.00 -2.02 0.00 0.00 58.31 56.43 1upl n LYS 35 Cb 0.47 -0.08 0.23 0.00 -0.02 0.00 0.00 35.03 35.64 1upl n LYS 35 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1upl h ALA 36 N 0.00 1.49 -0.26 7.82 0.00 -1.98 -0.14 119.26 126.18 1upl h ALA 36 Ca 0.00 -0.03 -0.08 0.00 0.00 0.00 0.00 54.91 54.80 1upl h ALA 36 Cb 0.00 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.50 1upl h ALA 36 CO 0.00 0.41 -0.13 1.49 0.00 0.00 0.00 179.25 181.01 1upl h GLU 37 N 1.05 0.55 -0.05 0.00 4.81 -2.04 0.64 114.58 119.53 1upl h GLU 37 Ca 0.36 -0.25 -0.06 0.00 -0.13 0.00 0.00 59.36 59.28 1upl h GLU 37 Cb 0.10 -0.01 -0.01 0.00 0.63 0.00 0.00 28.75 29.46 1upl h GLU 37 CO -0.12 0.81 -0.25 -0.22 -0.73 0.00 0.00 179.01 178.50 1upl h LYS 38 N 0.28 0.09 0.12 1.92 1.63 -1.78 -0.23 116.57 118.61 1upl h LYS 38 Ca 0.06 -0.03 -0.29 0.00 -0.85 0.00 0.00 60.65 59.54 1upl h LYS 38 Cb 0.65 -0.01 -0.00 0.00 -0.60 0.00 0.00 32.23 32.27 1upl h LYS 38 CO 0.04 0.34 -1.47 0.00 -3.45 0.00 0.00 179.45 174.91 1upl h ALA 39 N 1.66 0.18 -0.33 5.00 0.00 -0.91 -1.95 119.26 122.91 1upl h ALA 39 Ca 0.01 -1.10 0.10 0.00 0.00 0.00 0.00 54.91 53.92 1upl h ALA 39 Cb 0.49 0.49 -0.01 0.00 0.00 0.00 0.00 17.79 18.76 1upl h ALA 39 CO 0.03 0.86 0.31 1.15 0.00 0.00 0.00 179.25 181.61 1upl h THR 40 N -0.25 0.54 0.06 0.00 2.02 0.42 0.19 112.91 115.89 1upl h THR 40 Ca -0.31 0.00 -0.36 0.00 0.77 0.00 0.00 66.41 66.51 1upl h THR 40 Cb 1.80 0.76 -0.04 0.00 -1.74 0.00 0.00 68.15 68.94 1upl h THR 40 CO 0.07 0.00 -2.09 -0.62 0.37 0.00 0.00 175.52 173.25 1upl n GLU 41 N -3.97 0.71 -0.18 6.66 1.02 -0.11 -3.16 120.64 121.60 1upl n GLU 41 Ca 0.05 0.22 -0.02 0.00 -0.02 0.00 0.00 57.16 57.39 1upl n GLU 41 Cb 0.47 -1.66 0.08 0.00 -0.02 0.00 0.00 31.44 30.31 1upl n GLU 41 CO 0.00 0.00 0.00 0.93 1.18 0.00 0.00 177.13 179.24 1upl h GLU 42 N 0.04 0.39 0.34 3.49 4.39 -0.88 -1.58 114.58 120.76 1upl h GLU 42 Ca -0.45 -0.02 -0.02 0.00 0.34 0.00 0.00 59.36 59.21 1upl h GLU 42 Cb 2.02 -0.09 0.00 0.00 -0.10 0.00 0.00 28.75 30.58 1upl h GLU 42 CO 0.04 0.26 -0.16 0.28 -1.16 0.00 0.00 179.01 178.27 1upl h VAL 43 N 0.40 0.68 -0.26 3.13 2.07 -0.72 0.31 116.25 121.86 1upl h VAL 43 Ca 0.27 -0.09 0.06 0.00 0.82 0.00 0.00 66.70 67.76 1upl h VAL 43 Cb 0.29 0.73 -0.07 0.00 -1.52 0.00 0.00 31.29 30.72 1upl h VAL 43 CO -0.26 0.02 -0.27 0.28 0.02 0.00 0.00 177.57 177.36 1upl h SER 44 N -0.50 -0.86 -0.13 0.57 0.02 -1.50 0.73 113.55 111.88 1upl h SER 44 Ca -0.05 0.15 0.05 0.00 -0.84 0.00 0.00 61.79 61.10 1upl h SER 44 Cb 0.38 0.40 -0.06 0.00 0.14 0.00 0.00 62.40 63.25 1upl h SER 44 CO 0.08 -0.30 -0.34 0.11 -1.14 0.00 0.00 176.83 175.24 1upl h LYS 45 N -0.27 -0.40 0.00 3.45 1.79 -0.30 0.42 116.57 121.26 1upl h LYS 45 Ca 0.14 0.03 -0.05 0.00 -2.18 0.00 0.00 60.65 58.59 1upl h LYS 45 Cb 0.49 0.09 -0.01 0.00 -1.58 0.00 0.00 32.23 31.22 1upl h LYS 45 CO -0.42 -0.27 -0.25 -0.91 -1.08 0.00 0.00 179.45 176.53 1upl h ASN 46 N -0.41 0.00 -0.43 0.86 -0.26 -0.66 0.31 115.58 114.98 1upl h ASN 46 Ca 0.09 0.00 -0.01 0.00 -0.56 0.00 0.00 56.30 55.82 1upl h ASN 46 Cb 0.56 0.00 -0.02 0.00 -1.06 0.00 0.00 38.32 37.80 1upl h ASN 46 CO -0.36 0.25 0.21 -0.07 -1.06 0.00 0.00 177.43 176.39 1upl h LEU 47 N 0.00 0.56 -0.41 1.61 3.38 0.17 -2.69 115.31 117.93 1upl h LEU 47 Ca -0.00 -0.12 -0.05 0.00 0.09 0.00 0.00 57.88 57.79 1upl h LEU 47 Cb 0.55 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 41.14 1upl h LEU 47 CO 0.03 0.52 0.06 0.58 0.09 0.00 0.00 178.44 179.73 1upl h VAL 48 N 0.55 1.24 0.00 1.22 2.07 0.15 -1.26 116.25 120.23 1upl h VAL 48 Ca 0.15 -0.88 0.00 0.00 0.82 0.00 0.00 66.70 66.78 1upl h VAL 48 Cb 0.11 1.02 0.00 0.00 -1.52 0.00 0.00 31.29 30.90 1upl h VAL 48 CO -0.02 0.30 0.00 0.00 0.02 0.00 0.00 177.57 177.88 1upl n ALA 49 N -2.37 1.11 0.00 1.67 0.00 0.91 -0.73 120.51 121.10 1upl n ALA 49 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1upl n ALA 49 Cb 0.24 -0.86 0.00 0.00 0.00 0.00 0.00 19.45 18.83 1upl n ALA 49 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1upl n LYS 51 N 0.72 0.00 0.23 0.00 5.02 -0.48 -0.12 118.16 123.54 1upl n LYS 51 Ca 0.00 0.00 0.12 0.00 -2.02 0.00 0.00 58.31 56.41 1upl n LYS 51 Cb 0.00 0.00 0.73 0.00 -0.02 0.00 0.00 35.03 35.74 1upl n LYS 51 CO 0.00 0.00 0.00 0.93 -0.52 0.00 0.00 177.40 177.81 1upl h GLU 52 N 0.00 0.00 0.01 1.97 5.08 -1.18 -0.09 114.58 120.37 1upl h GLU 52 Ca 0.00 0.00 -0.23 0.00 -1.00 0.00 0.00 59.36 58.13 1upl h GLU 52 Cb 0.00 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.22 1upl h GLU 52 CO 0.00 0.00 -1.12 0.82 -1.00 0.00 0.00 179.01 177.71 1upl h ILE 53 N 0.00 1.58 -0.00 3.13 2.04 -0.78 -3.35 117.51 120.13 1upl h ILE 53 Ca 0.04 -3.30 0.00 0.00 1.00 0.00 0.00 64.86 62.60 1upl h ILE 53 Cb 0.18 2.80 0.00 0.00 -0.74 0.00 0.00 36.82 39.06 1upl h ILE 53 CO -0.00 0.91 -0.04 0.18 0.00 0.00 0.00 178.15 179.20 1upl n LEU 54 N -3.33 0.21 0.00 1.44 4.77 -0.06 -3.57 117.00 116.47 1upl n LEU 54 Ca -0.03 0.12 0.12 0.00 -0.03 0.00 0.00 56.01 56.19 1upl n LEU 54 Cb 0.96 -0.20 0.70 0.00 -2.33 0.00 0.00 43.42 42.56 1upl n LEU 54 CO 0.47 0.04 0.89 0.00 -1.33 0.00 0.00 177.39 177.47 1upl n TYR 55 N -1.08 0.00 -2.12 -1.77 9.36 -1.15 -4.83 117.16 115.55 1upl n TYR 55 Ca 0.16 0.00 -0.28 0.00 3.32 0.00 0.00 57.90 61.10 1upl n TYR 55 Cb 0.24 0.00 0.16 0.00 -0.63 0.00 0.00 39.34 39.10 1upl n TYR 55 CO 0.00 0.00 0.00 0.20 0.22 0.00 0.00 176.86 177.28 1upl s GLY 56 N -1.96 1.77 1.00 2.98 0.00 -1.23 -5.03 107.32 104.85 1upl s GLY 56 Ca 0.36 -1.33 -0.18 0.00 0.00 0.00 0.00 44.72 43.57 1upl s GLY 56 CO 0.27 -0.63 -0.50 2.41 0.00 0.00 0.00 173.10 174.65 1upl n THR 57 N -3.47 0.00 0.07 0.90 -1.04 -1.26 -5.18 114.28 104.30 1upl n THR 57 Ca 0.15 -0.30 -0.07 0.00 -2.04 0.00 0.00 64.05 61.78 1upl n THR 57 Cb 0.60 -0.25 0.10 0.00 -1.82 0.00 0.00 70.33 68.96 1upl n THR 57 CO 0.00 0.00 0.00 0.59 -0.64 0.00 0.00 175.07 175.02 1upl n ASN 58 N 1.53 3.27 -3.62 8.00 3.02 -1.26 -5.01 115.26 121.18 1upl n ASN 58 Ca 0.01 -2.63 -0.29 0.00 -0.03 0.00 0.00 54.58 51.63 1upl n ASN 58 Cb 0.59 -0.63 -0.14 0.00 -0.61 0.00 0.00 39.78 39.00 1upl n ASN 58 CO 0.00 0.00 0.00 0.28 -2.62 0.00 0.00 177.26 174.92 1upl s THR 64 N -1.49 0.63 0.30 3.41 -1.32 -1.26 -2.17 115.64 113.73 1upl s THR 64 Ca 0.24 -1.64 0.03 0.00 -1.21 0.00 0.00 61.69 59.11 1upl s THR 64 Cb 0.20 -1.47 -0.06 0.00 -1.51 0.00 0.00 72.50 69.67 1upl s THR 64 CO 0.05 -0.82 0.08 -1.83 -2.21 0.00 0.00 174.62 169.89 1upl s GLU 65 N 1.26 1.56 0.54 7.08 -1.05 -1.26 -5.05 118.70 121.78 1upl s GLU 65 Ca 0.14 -1.86 0.25 0.00 -0.15 0.00 0.00 54.97 53.35 1upl s GLU 65 Cb -0.20 -0.59 1.44 0.00 -0.44 0.00 0.00 34.13 34.34 1upl s GLU 65 CO -0.14 -0.25 2.04 0.00 0.95 0.00 0.00 175.26 177.86 1upl h ALA 66 N 2.22 2.25 0.00 -0.84 0.00 -2.10 -0.68 119.26 120.12 1upl h ALA 66 Ca -0.39 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.50 1upl h ALA 66 Cb 1.25 0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.06 1upl h ALA 66 CO 0.65 -0.47 0.00 1.33 0.00 0.00 0.00 179.25 180.76 1upl n VAL 67 N -4.24 0.03 1.56 0.00 0.24 -1.26 -0.99 118.33 113.66 1upl n VAL 67 Ca 0.06 0.00 0.12 0.00 -2.04 0.00 0.00 64.34 62.48 1upl n VAL 67 Cb 0.46 -0.17 0.71 0.00 -1.47 0.00 0.00 33.84 33.37 1upl n VAL 67 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1upl n ALA 68 N 0.46 2.42 0.15 2.33 0.00 -0.26 -2.91 120.51 122.69 1upl n ALA 68 Ca 0.00 -0.15 0.04 0.00 0.00 0.00 0.00 53.44 53.33 1upl n ALA 68 Cb 0.06 -1.39 0.44 0.00 0.00 0.00 0.00 19.45 18.56 1upl n ALA 68 CO 0.00 0.00 0.00 1.96 0.00 0.00 0.00 177.50 179.46 1upl h GLN 69 N 0.00 0.17 -0.65 0.00 1.08 -1.34 -1.73 115.11 112.64 1upl h GLN 69 Ca 0.00 -0.03 -0.07 0.00 -1.45 0.00 0.00 58.65 57.09 1upl h GLN 69 Cb 0.00 -0.03 -0.03 0.00 -0.05 0.00 0.00 27.48 27.38 1upl h GLN 69 CO 0.00 0.29 0.12 -0.07 -0.95 0.00 0.00 178.83 178.22 1upl h LEU 70 N 0.16 1.03 0.66 1.46 4.07 -1.81 -0.81 115.31 120.07 1upl h LEU 70 Ca 0.03 -0.25 -0.03 0.00 0.08 0.00 0.00 57.88 57.71 1upl h LEU 70 Cb 0.31 -0.27 0.01 0.00 1.08 0.00 0.00 40.66 41.78 1upl h LEU 70 CO 0.02 1.02 -0.32 0.00 -1.08 0.00 0.00 178.44 178.08 1upl h ALA 71 N 1.05 -0.89 -0.97 1.53 0.00 -1.67 0.55 119.26 118.86 1upl h ALA 71 Ca 0.20 -0.21 0.26 0.00 0.00 0.00 0.00 54.91 55.16 1upl h ALA 71 Cb 0.42 0.34 -0.06 0.00 0.00 0.00 0.00 17.79 18.49 1upl h ALA 71 CO 0.01 -0.96 0.67 1.96 0.00 0.00 0.00 179.25 180.92 1upl h GLN 72 N -0.97 0.20 -0.02 0.00 1.08 -1.17 -0.35 115.11 113.88 1upl h GLN 72 Ca -0.09 -0.01 -0.06 0.00 -1.45 0.00 0.00 58.65 57.04 1upl h GLN 72 Cb 0.71 -0.05 0.00 0.00 -0.05 0.00 0.00 27.48 28.09 1upl h GLN 72 CO 0.15 0.13 -0.23 1.49 -0.95 0.00 0.00 178.83 179.43 1upl h GLU 73 N 0.21 0.19 -0.10 1.46 4.22 -0.50 -1.82 114.58 118.24 1upl h GLU 73 Ca 0.50 -0.18 0.04 0.00 0.08 0.00 0.00 59.36 59.80 1upl h GLU 73 Cb 1.59 0.04 -0.05 0.00 0.50 0.00 0.00 28.75 30.84 1upl h GLU 73 CO -0.12 0.87 -0.19 1.25 -2.18 0.00 0.00 179.01 178.64 1upl h LEU 74 N -0.42 -0.57 -1.11 1.64 6.46 0.69 -2.16 115.31 119.84 1upl h LEU 74 Ca -0.02 0.10 -0.08 0.00 -0.12 0.00 0.00 57.88 57.76 1upl h LEU 74 Cb 0.93 0.26 -0.01 0.00 -0.73 0.00 0.00 40.66 41.11 1upl h LEU 74 CO 0.05 -0.24 -0.18 1.88 -0.62 0.00 0.00 178.44 179.32 1upl h TYR 75 N -0.25 0.44 0.00 1.25 0.05 -1.25 -2.88 116.97 114.34 1upl h TYR 75 Ca 0.09 -0.07 -0.15 0.00 0.05 0.00 0.00 58.73 58.64 1upl h TYR 75 Cb 0.38 -0.12 -0.02 0.00 1.01 0.00 0.00 36.73 37.98 1upl h TYR 75 CO -0.28 0.57 -0.73 -0.91 -1.05 0.00 0.00 178.16 175.76 1upl h ASN 76 N 0.37 0.00 1.46 3.88 -0.26 -0.91 -3.03 115.58 117.08 1upl h ASN 76 Ca 0.06 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 55.80 1upl h ASN 76 Cb 0.54 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 37.80 1upl h ASN 76 CO 0.04 0.73 0.00 0.77 -1.06 0.00 0.00 177.43 177.91 1upl h SER 77 N 0.00 0.00 -0.37 5.81 4.64 -1.17 -3.47 113.55 118.99 1upl h SER 77 Ca -0.01 0.00 -0.16 0.00 -0.47 0.00 0.00 61.79 61.15 1upl h SER 77 Cb 1.40 0.00 -0.06 0.00 -0.31 0.00 0.00 62.40 63.42 1upl h SER 77 CO 0.10 0.00 -0.15 0.61 -0.87 0.00 0.00 176.83 176.52 1upl n GLY 78 N 0.62 0.95 0.36 -0.77 0.00 -1.15 -4.94 105.19 100.27 1upl n GLY 78 Ca 0.03 -0.43 0.07 0.00 0.00 0.00 0.00 46.02 45.69 1upl n GLY 78 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1upl h LEU 79 N 0.00 0.72 -0.65 0.99 5.85 -1.86 -2.75 115.31 117.62 1upl h LEU 79 Ca -0.16 0.01 -0.13 0.00 0.84 0.00 0.00 57.88 58.44 1upl h LEU 79 Cb 0.63 -0.14 -0.01 0.00 0.37 0.00 0.00 40.66 41.51 1upl h LEU 79 CO 0.23 0.44 -0.38 -0.07 -0.34 0.00 0.00 178.44 178.32 1upl h LEU 80 N 0.81 0.66 0.27 2.25 3.38 -1.92 0.66 115.31 121.42 1upl h LEU 80 Ca 0.37 -0.29 -0.01 0.00 0.09 0.00 0.00 57.88 58.04 1upl h LEU 80 Cb 0.38 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 40.95 1upl h LEU 80 CO -0.14 0.97 -0.13 0.28 0.09 0.00 0.00 178.44 179.51 1upl h SER 81 N 0.52 -0.30 -0.45 -0.43 0.02 -1.94 -2.98 113.55 107.99 1upl h SER 81 Ca 0.05 -0.16 0.09 0.00 -0.84 0.00 0.00 61.79 60.93 1upl h SER 81 Cb 0.89 0.08 -0.08 0.00 0.14 0.00 0.00 62.40 63.43 1upl h SER 81 CO 0.08 -0.00 -0.08 0.74 -1.14 0.00 0.00 176.83 176.43 1upl h THR 82 N -0.62 0.58 -0.96 -2.27 2.02 -1.20 1.11 112.91 111.57 1upl h THR 82 Ca -0.04 -0.01 0.15 0.00 0.77 0.00 0.00 66.41 67.28 1upl h THR 82 Cb 0.44 0.55 -0.08 0.00 -1.74 0.00 0.00 68.15 67.32 1upl h THR 82 CO 0.06 0.01 0.61 -0.07 0.37 0.00 0.00 175.52 176.49 1upl h LEU 83 N 0.03 0.78 0.06 2.58 3.38 -0.98 0.25 115.31 121.41 1upl h LEU 83 Ca 0.22 0.06 -0.00 0.00 0.09 0.00 0.00 57.88 58.24 1upl h LEU 83 Cb 0.33 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 40.99 1upl h LEU 83 CO -0.43 0.37 -0.03 0.58 0.09 0.00 0.00 178.44 179.02 1upl h VAL 84 N 0.81 1.04 -0.06 1.22 2.07 -0.15 -3.06 116.25 118.12 1upl h VAL 84 Ca 0.50 -1.53 0.02 0.00 0.82 0.00 0.00 66.70 66.50 1upl h VAL 84 Cb 0.70 1.87 -0.00 0.00 -1.52 0.00 0.00 31.29 32.33 1upl h VAL 84 CO -0.27 0.32 0.19 0.00 0.02 0.00 0.00 177.57 177.84 1upl h ALA 85 N -0.30 1.37 -0.12 1.67 0.00 0.12 -2.40 119.26 119.60 1upl h ALA 85 Ca -0.01 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1upl h ALA 85 Cb 0.58 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.38 1upl h ALA 85 CO 0.01 -0.22 0.00 -0.25 0.00 0.00 0.00 179.25 178.79 1upl n ASP 86 N -3.21 2.54 -0.28 0.00 8.00 0.85 -4.61 116.55 119.85 1upl n ASP 86 Ca -0.01 -1.74 0.27 0.00 0.71 0.00 0.00 54.79 54.02 1upl n ASP 86 Cb 0.27 -0.07 0.50 0.00 -0.02 0.00 0.00 41.12 41.80 1upl n ASP 86 CO 0.00 0.00 0.00 -0.11 -0.39 0.00 0.00 177.20 176.70 1upl n LEU 87 N 0.91 0.29 0.00 0.64 7.94 -0.90 -0.01 117.00 125.87 1upl n LEU 87 Ca 0.11 1.44 0.14 0.00 -1.11 0.00 0.00 56.01 56.58 1upl n LEU 87 Cb 0.42 -0.70 0.70 0.00 0.53 0.00 0.00 43.42 44.37 1upl n LEU 87 CO 0.10 -1.60 0.98 0.00 -1.11 0.00 0.00 177.39 175.76 1upl n GLN 88 N -4.96 0.35 -0.13 1.96 6.02 -1.26 -2.14 117.38 117.22 1upl n GLN 88 Ca 0.33 0.02 0.12 0.00 -0.01 0.00 0.00 57.00 57.45 1upl n GLN 88 Cb 1.10 -1.50 0.24 0.00 1.02 0.00 0.00 30.24 31.10 1upl n GLN 88 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 177.06 177.33 1upl n LEU 89 N -1.31 2.97 -4.56 1.08 4.77 0.98 -4.95 117.00 115.98 1upl n LEU 89 Ca 0.13 -1.22 -0.31 0.00 -0.03 0.00 0.00 56.01 54.57 1upl n LEU 89 Cb 0.24 -0.17 -0.11 0.00 -2.33 0.00 0.00 43.42 41.05 1upl n LEU 89 CO 0.22 0.61 -0.42 -0.63 -1.33 0.00 0.00 177.39 175.84 1upl s ILE 90 N -1.66 3.39 0.70 -0.08 1.01 -0.91 -5.07 121.20 118.58 1upl s ILE 90 Ca 0.36 -0.95 -0.11 0.00 0.00 0.00 0.00 60.65 59.95 1upl s ILE 90 Cb 0.21 -2.48 0.01 0.00 0.01 0.00 0.00 42.46 40.21 1upl s ILE 90 CO 0.30 0.34 1.07 1.51 0.00 0.00 0.00 174.94 178.17 1upl s ASP 91 N -1.53 5.46 0.20 3.58 1.47 -1.26 -4.69 116.67 119.90 1upl s ASP 91 Ca 0.17 1.35 -0.15 0.00 1.18 0.00 0.00 52.55 55.10 1upl s ASP 91 Cb -0.11 -2.22 0.21 0.00 -0.34 0.00 0.00 42.92 40.46 1upl s ASP 91 CO 0.08 -1.36 1.63 0.15 0.68 0.00 0.00 175.17 176.35 1upl h PHE 92 N -0.66 -0.38 -0.22 2.11 3.57 -1.98 0.45 116.94 119.83 1upl h PHE 92 Ca -0.45 0.06 -0.09 0.00 3.53 0.00 0.00 57.97 61.02 1upl h PHE 92 Cb 1.23 0.26 -0.01 0.00 2.79 0.00 0.00 35.95 40.22 1upl h PHE 92 CO 0.56 -0.28 -0.24 0.93 -2.23 0.00 0.00 178.31 177.05 1upl h GLU 93 N -0.02 0.41 -0.65 1.11 4.39 -2.01 -2.62 114.58 115.19 1upl h GLU 93 Ca 0.29 -0.15 0.07 0.00 0.34 0.00 0.00 59.36 59.91 1upl h GLU 93 Cb 0.46 -0.03 -0.06 0.00 -0.10 0.00 0.00 28.75 29.02 1upl h GLU 93 CO -0.63 0.63 0.33 0.78 -1.16 0.00 0.00 179.01 178.96 1upl h GLY 94 N 1.00 0.95 1.97 -3.84 0.00 -0.57 -1.93 103.07 100.65 1upl h GLY 94 Ca 0.06 -0.21 -0.04 0.00 0.00 0.00 0.00 47.33 47.13 1upl h GLY 94 CO 0.04 0.09 -0.17 0.50 0.00 0.00 0.00 176.54 177.01 1upl h LYS 95 N 0.59 0.04 -0.18 4.80 1.57 -0.50 -0.59 116.57 122.29 1upl h LYS 95 Ca 0.30 -0.01 -0.10 0.00 -1.87 0.00 0.00 60.65 58.98 1upl h LYS 95 Cb 0.26 -0.01 -0.00 0.00 0.08 0.00 0.00 32.23 32.57 1upl h LYS 95 CO -0.22 0.21 -0.27 0.87 -0.57 0.00 0.00 179.45 179.47 1upl h LYS 96 N 0.04 0.50 -0.25 3.15 6.56 -1.36 -2.55 116.57 122.66 1upl h LYS 96 Ca 0.01 -0.30 0.06 0.00 -1.06 0.00 0.00 60.65 59.36 1upl h LYS 96 Cb 0.32 0.03 -0.07 0.00 -0.57 0.00 0.00 32.23 31.94 1upl h LYS 96 CO 0.02 0.89 -0.24 -0.44 -2.06 0.00 0.00 179.45 177.63 1upl h ASP 97 N 0.16 -0.77 0.06 0.86 3.32 -0.56 0.39 116.42 119.88 1upl h ASP 97 Ca 0.02 0.14 0.01 0.00 0.02 0.00 0.00 57.03 57.22 1upl h ASP 97 Cb 0.84 0.37 -0.04 0.00 0.22 0.00 0.00 39.33 40.72 1upl h ASP 97 CO 0.06 -0.28 -0.41 0.58 -1.72 0.00 0.00 179.24 177.48 1upl h VAL 98 N -0.24 0.00 -0.96 -1.35 2.07 -1.11 0.97 116.25 115.63 1upl h VAL 98 Ca 0.14 0.00 0.14 0.00 0.82 0.00 0.00 66.70 67.80 1upl h VAL 98 Cb 0.46 0.00 -0.15 0.00 -1.52 0.00 0.00 31.29 30.08 1upl h VAL 98 CO -0.39 0.00 -0.42 0.00 0.02 0.00 0.00 177.57 176.77 1upl h ALA 99 N -0.75 0.01 -0.04 1.67 0.00 -1.39 0.36 119.26 119.12 1upl h ALA 99 Ca -0.00 0.24 0.00 0.00 0.00 0.00 0.00 54.91 55.15 1upl h ALA 99 Cb 0.57 1.06 -0.00 0.00 0.00 0.00 0.00 17.79 19.42 1upl h ALA 99 CO -0.24 -0.69 0.02 1.96 0.00 0.00 0.00 179.25 180.30 1upl h GLN 100 N -0.02 0.05 -0.13 0.00 4.20 0.62 -0.05 115.11 119.78 1upl h GLN 100 Ca 0.30 -0.00 0.04 0.00 0.06 0.00 0.00 58.65 59.05 1upl h GLN 100 Cb 0.56 -0.01 -0.05 0.00 0.30 0.00 0.00 27.48 28.28 1upl h GLN 100 CO -0.95 0.05 -0.18 0.82 -0.67 0.00 0.00 178.83 177.90 1upl h ILE 101 N 0.04 0.54 -0.55 2.54 2.04 0.21 -1.33 117.51 120.99 1upl h ILE 101 Ca 0.01 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.88 1upl h ILE 101 Cb 0.01 0.54 -0.03 0.00 -0.74 0.00 0.00 36.82 36.60 1upl h ILE 101 CO -0.00 0.00 0.36 0.15 0.00 0.00 0.00 178.15 178.66 1upl h PHE 102 N -0.22 0.70 -0.00 1.37 3.04 0.15 -0.31 116.94 121.66 1upl h PHE 102 Ca 0.10 0.01 -0.13 0.00 3.98 0.00 0.00 57.97 61.93 1upl h PHE 102 Cb 0.36 -0.24 -0.02 0.00 2.56 0.00 0.00 35.95 38.62 1upl h PHE 102 CO -0.29 0.44 -0.64 -0.91 -2.02 0.00 0.00 178.31 174.90 1upl h ASN 103 N 0.75 0.00 -0.02 0.41 4.21 -0.84 -1.59 115.58 118.51 1upl h ASN 103 Ca 0.20 -0.00 -0.00 0.00 1.21 0.00 0.00 56.30 57.71 1upl h ASN 103 Cb -0.08 -0.00 -0.00 0.00 -1.12 0.00 0.00 38.32 37.12 1upl h ASN 103 CO -0.04 0.64 0.01 -1.13 -1.29 0.00 0.00 177.43 175.61 1upl h ASN 104 N 0.00 0.02 -0.11 5.81 -0.73 -0.35 -2.25 115.58 117.97 1upl h ASN 104 Ca -0.01 -0.17 -0.05 0.00 1.87 0.00 0.00 56.30 57.95 1upl h ASN 104 Cb 1.12 -0.01 -0.01 0.00 0.27 0.00 0.00 38.32 39.69 1upl h ASN 104 CO 0.08 0.19 -0.05 0.40 -0.37 0.00 0.00 177.43 177.68 1upl h ILE 105 N -0.15 1.18 0.00 2.57 1.08 -0.60 -2.81 117.51 118.78 1upl h ILE 105 Ca 0.01 -0.74 -0.11 0.00 -0.39 0.00 0.00 64.86 63.63 1upl h ILE 105 Cb 0.17 1.06 -0.02 0.00 -3.07 0.00 0.00 36.82 34.97 1upl h ILE 105 CO -0.00 0.24 -0.54 0.25 -0.69 0.00 0.00 178.15 177.41 1upl h LEU 106 N 0.35 0.00 -0.36 1.44 5.85 -1.12 -3.16 115.31 118.31 1upl h LEU 106 Ca 0.08 0.00 -0.18 0.00 0.84 0.00 0.00 57.88 58.62 1upl h LEU 106 Cb 0.33 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 41.34 1upl h LEU 106 CO 0.01 0.54 -0.82 0.03 -0.34 0.00 0.00 178.44 177.86 1upl h ARG 107 N 0.00 0.09 -6.76 1.25 3.08 -1.14 -3.43 114.38 107.47 1upl h ARG 107 Ca -0.01 -0.09 -0.57 0.00 0.07 0.00 0.00 59.98 59.38 1upl h ARG 107 Cb 1.01 0.03 0.11 0.00 0.08 0.00 0.00 29.97 31.20 1upl h ARG 107 CO 0.07 0.86 0.50 0.54 -1.07 0.00 0.00 179.97 180.87 1upl n ARG 108 N -3.63 2.10 -4.86 0.04 1.74 -1.19 -4.99 116.66 105.86 1upl n ARG 108 Ca -0.02 0.74 -0.33 0.00 -0.77 0.00 0.00 57.85 57.47 1upl n ARG 108 Cb 0.78 -2.34 -0.13 0.00 -1.02 0.00 0.00 32.46 29.75 1upl n ARG 108 CO 0.00 0.00 0.00 -0.65 -1.52 0.00 0.00 177.63 175.46 1upl s GLN 109 N -1.93 2.72 -0.37 5.56 -0.21 -0.92 -4.40 119.66 120.11 1upl s GLN 109 Ca 0.56 -0.69 -0.02 0.00 0.02 0.00 0.00 55.36 55.23 1upl s GLN 109 Cb -0.56 -2.44 0.09 0.00 1.00 0.00 0.00 33.01 31.10 1upl s GLN 109 CO 0.62 0.53 0.13 0.42 -2.12 0.00 0.00 175.29 174.86 1upl s ILE 110 N -0.47 3.14 0.00 1.08 1.01 -1.06 -4.96 121.20 119.94 1upl s ILE 110 Ca 0.06 -1.84 0.00 0.00 0.00 0.00 0.00 60.65 58.87 1upl s ILE 110 Cb -0.12 -3.04 0.00 0.00 0.01 0.00 0.00 42.46 39.31 1upl s ILE 110 CO 0.02 -0.49 0.00 0.61 0.00 0.00 0.00 174.94 175.08 1upl n GLY 111 N 4.58 3.36 0.03 6.18 0.00 -1.26 -2.88 105.19 115.20 1upl n GLY 111 Ca -0.05 0.01 0.03 0.00 0.00 0.00 0.00 46.02 46.01 1upl n GLY 111 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1upl n THR 112 N 0.00 0.34 -1.42 2.61 -2.24 -1.26 -4.97 114.28 107.34 1upl n THR 112 Ca 0.00 -0.47 -0.30 0.00 -2.27 0.00 0.00 64.05 61.01 1upl n THR 112 Cb 0.00 -0.10 0.09 0.00 -2.10 0.00 0.00 70.33 68.22 1upl n THR 112 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 1upl s ARG 113 N -2.92 2.13 -0.37 -0.78 0.52 -1.14 -5.03 118.95 111.36 1upl s ARG 113 Ca -0.07 0.86 0.03 0.00 -0.52 0.00 0.00 55.73 56.04 1upl s ARG 113 Cb 0.09 -1.91 0.11 0.00 0.52 0.00 0.00 34.95 33.76 1upl s ARG 113 CO 0.68 -1.65 0.11 0.99 0.02 0.00 0.00 175.30 175.45 1upl s THR 114 N -3.03 1.96 0.19 0.02 2.01 -1.26 -2.55 115.64 112.98 1upl s THR 114 Ca 0.61 -2.33 -0.12 0.00 0.31 0.00 0.00 61.69 60.16 1upl s THR 114 Cb -0.16 -2.43 0.10 0.00 0.01 0.00 0.00 72.50 70.03 1upl s THR 114 CO 0.55 -0.68 1.78 -0.65 -0.69 0.00 0.00 174.62 174.94 1upl h PRO 115 N 7.45 0.48 -0.28 4.92 0.11 -1.91 -2.52 132.00 140.25 1upl h PRO 115 Ca -0.06 -0.03 -0.03 0.00 0.11 0.00 0.00 66.00 65.98 1upl h PRO 115 Cb 0.99 -0.11 -0.02 0.00 0.11 0.00 0.00 31.00 31.97 1upl h PRO 115 CO 0.53 0.32 0.03 1.15 -0.21 0.00 0.00 178.00 179.83 1upl h THR 116 N 0.50 1.15 -0.29 -1.15 2.02 -1.86 0.14 112.91 113.42 1upl h THR 116 Ca 0.25 -0.57 -0.01 0.00 0.77 0.00 0.00 66.41 66.85 1upl h THR 116 Cb 0.20 0.91 -0.01 0.00 -1.74 0.00 0.00 68.15 67.52 1upl h THR 116 CO -0.20 0.20 0.14 0.58 0.37 0.00 0.00 175.52 176.61 1upl h VAL 117 N 0.40 1.15 -0.63 3.16 2.07 -1.73 0.86 116.25 121.53 1upl h VAL 117 Ca 0.09 -0.43 -0.06 0.00 0.82 0.00 0.00 66.70 67.13 1upl h VAL 117 Cb 0.22 0.90 -0.03 0.00 -1.52 0.00 0.00 31.29 30.86 1upl h VAL 117 CO 0.00 0.16 0.17 -0.33 0.02 0.00 0.00 177.57 177.59 1upl h GLU 118 N 0.34 0.97 0.11 1.57 5.08 -1.04 -1.56 114.58 120.05 1upl h GLU 118 Ca 0.10 -0.20 0.00 0.00 -1.00 0.00 0.00 59.36 58.26 1upl h GLU 118 Cb 0.12 -0.14 -0.02 0.00 0.50 0.00 0.00 28.75 29.20 1upl h GLU 118 CO -0.01 0.85 -0.31 -0.92 -1.00 0.00 0.00 179.01 177.62 1upl h TYR 119 N 0.93 -0.88 -0.19 4.33 3.20 0.06 -2.60 116.97 121.83 1upl h TYR 119 Ca 0.20 0.02 0.05 0.00 3.14 0.00 0.00 58.73 62.15 1upl h TYR 119 Cb 0.30 0.37 -0.01 0.00 1.54 0.00 0.00 36.73 38.94 1upl h TYR 119 CO 0.02 -0.36 0.14 0.82 -1.64 0.00 0.00 178.16 177.14 1upl h ILE 120 N -0.46 0.88 -0.23 1.81 2.04 -0.60 1.08 117.51 122.03 1upl h ILE 120 Ca -0.01 0.00 0.07 0.00 1.00 0.00 0.00 64.86 65.92 1upl h ILE 120 Cb 0.45 0.90 -0.01 0.00 -0.74 0.00 0.00 36.82 37.43 1upl h ILE 120 CO -0.14 0.00 0.39 0.00 0.00 0.00 0.00 178.15 178.39 1upl n THR 122 N -3.39 0.40 -2.74 0.00 -2.24 0.37 -4.42 114.28 102.26 1upl n THR 122 Ca 0.03 -0.70 -0.05 0.00 -2.27 0.00 0.00 64.05 61.06 1upl n THR 122 Cb 0.51 1.02 0.04 0.00 -2.10 0.00 0.00 70.33 69.80 1upl n THR 122 CO 0.00 0.00 0.00 1.67 -0.57 0.00 0.00 175.07 176.17 1upl n GLN 123 N 1.06 1.39 0.32 -0.78 -0.06 -0.23 -4.95 117.38 114.13 1upl n GLN 123 Ca 0.14 -3.32 0.12 0.00 -2.00 0.00 0.00 57.00 51.94 1upl n GLN 123 Cb 0.48 -1.36 0.64 0.00 -4.06 0.00 0.00 30.24 25.94 1upl n GLN 123 CO 0.00 0.00 0.00 1.96 -0.20 0.00 0.00 177.06 178.82 1upl h GLN 124 N 2.80 0.00 0.00 3.69 4.20 -1.69 -0.62 115.11 123.49 1upl h GLN 124 Ca -0.12 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.59 1upl h GLN 124 Cb 1.22 0.00 0.00 0.00 0.30 0.00 0.00 27.48 29.00 1upl h GLN 124 CO 0.35 0.00 0.00 -1.71 -0.67 0.00 0.00 178.83 176.80 1upl n ASN 125 N -2.75 0.35 -0.17 1.46 5.15 -1.26 -1.74 115.26 116.30 1upl n ASN 125 Ca -0.02 0.58 -0.10 0.00 -0.60 0.00 0.00 54.58 54.45 1upl n ASN 125 Cb 0.48 -0.66 0.00 0.00 -0.53 0.00 0.00 39.78 39.07 1upl n ASN 125 CO 0.00 0.00 0.00 0.40 1.40 0.00 0.00 177.26 179.06 1upl h ILE 126 N 0.00 1.26 -0.43 -1.44 2.04 -1.46 -2.94 117.51 114.55 1upl h ILE 126 Ca 0.00 -1.11 -0.09 0.00 1.00 0.00 0.00 64.86 64.66 1upl h ILE 126 Cb 0.32 0.99 -0.01 0.00 -0.74 0.00 0.00 36.82 37.38 1upl h ILE 126 CO 0.00 0.39 -0.10 -0.07 0.00 0.00 0.00 178.15 178.37 1upl h LEU 127 N 0.74 0.82 -2.98 1.44 3.38 -1.54 -2.45 115.31 114.72 1upl h LEU 127 Ca 0.14 -0.36 0.00 0.00 0.09 0.00 0.00 57.88 57.75 1upl h LEU 127 Cb 0.54 -0.22 0.00 0.00 0.09 0.00 0.00 40.66 41.07 1upl h LEU 127 CO 0.03 0.99 0.00 0.49 0.09 0.00 0.00 178.44 180.04 1upl n PHE 128 N -4.31 0.00 0.00 1.13 3.72 -1.05 -1.16 117.46 115.80 1upl n PHE 128 Ca -0.01 -0.76 0.00 0.00 -0.05 0.00 0.00 57.45 56.63 1upl n PHE 128 Cb 0.37 -0.42 0.00 0.00 -0.94 0.00 0.00 39.48 38.49 1upl n PHE 128 CO 0.00 0.00 0.00 1.28 -0.05 0.00 0.00 176.76 177.99 1upl n LEU 130 N 1.42 0.00 -0.08 4.37 4.77 -0.93 -2.00 117.00 124.56 1upl n LEU 130 Ca 0.00 0.00 -0.09 0.00 -0.03 0.00 0.00 56.01 55.89 1upl n LEU 130 Cb 0.41 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.48 1upl n LEU 130 CO 0.00 0.00 0.63 0.25 -1.33 0.00 0.00 177.39 176.94 1upl h LEU 131 N 0.00 -1.10 -1.97 2.23 6.46 -1.42 -0.90 115.31 118.61 1upl h LEU 131 Ca 0.00 0.18 0.00 0.00 -0.12 0.00 0.00 57.88 57.94 1upl h LEU 131 Cb 0.00 0.50 0.00 0.00 -0.73 0.00 0.00 40.66 40.43 1upl h LEU 131 CO 0.00 -0.34 0.05 0.50 -0.62 0.00 0.00 178.44 178.03 1upl h LYS 132 N -0.31 0.00 0.00 1.25 1.63 -1.66 -2.31 116.57 115.17 1upl h LYS 132 Ca 0.14 0.00 -0.02 0.00 -0.85 0.00 0.00 60.65 59.92 1upl h LYS 132 Cb 0.55 0.00 -0.00 0.00 -0.60 0.00 0.00 32.23 32.17 1upl h LYS 132 CO -0.49 0.00 -0.11 0.78 -3.45 0.00 0.00 179.45 176.18 1upl h GLY 133 N 0.00 0.00 2.00 5.01 0.00 -1.44 -1.79 103.07 106.85 1upl h GLY 133 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1upl h GLY 133 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 176.54 175.57 1upl h TYR 134 N 0.00 0.00 -0.00 5.60 0.99 -1.55 0.20 116.97 122.21 1upl h TYR 134 Ca -0.00 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.73 1upl h TYR 134 Cb 0.42 0.00 0.00 0.00 1.00 0.00 0.00 36.73 38.15 1upl h TYR 134 CO 0.00 0.00 -0.01 0.39 -0.00 0.00 0.00 178.16 178.54 1upl n GLU 135 N -2.74 0.03 -3.74 4.88 1.02 -0.67 -4.54 120.64 114.87 1upl n GLU 135 Ca -0.02 -0.00 -0.38 0.00 -0.02 0.00 0.00 57.16 56.75 1upl n GLU 135 Cb 0.08 -1.50 -0.12 0.00 -0.02 0.00 0.00 31.44 29.89 1upl n GLU 135 CO 0.00 0.00 0.00 -1.12 1.18 0.00 0.00 177.13 177.19 1upl s SER 136 N -2.97 5.32 0.56 1.62 0.01 0.69 -4.97 113.70 113.95 1upl s SER 136 Ca 0.15 -1.52 0.26 0.00 1.31 0.00 0.00 55.95 56.15 1upl s SER 136 Cb 0.19 -1.86 1.50 0.00 0.21 0.00 0.00 66.02 66.06 1upl s SER 136 CO 0.53 -0.44 2.03 -0.65 0.41 0.00 0.00 173.24 175.13 1upl h PRO 137 N 8.19 0.00 0.00 12.44 0.11 -1.81 0.27 132.00 151.20 1upl h PRO 137 Ca -0.20 0.00 -0.03 0.00 0.11 0.00 0.00 66.00 65.88 1upl h PRO 137 Cb 1.07 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.17 1upl h PRO 137 CO 0.66 0.00 -0.16 0.93 -0.21 0.00 0.00 178.00 179.22 1upl h GLU 138 N 0.00 0.00 0.00 1.05 4.39 -1.93 -3.34 114.58 114.75 1upl h GLU 138 Ca 0.16 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.86 1upl h GLU 138 Cb 0.75 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.40 1upl h GLU 138 CO -0.00 0.16 0.00 0.44 -1.16 0.00 0.00 179.01 178.45 1upl n ILE 139 N -3.22 0.01 -0.29 3.13 -5.35 -0.23 -4.82 119.36 108.60 1upl n ILE 139 Ca 0.02 -0.31 -0.04 0.00 -0.27 0.00 0.00 62.75 62.15 1upl n ILE 139 Cb 0.48 1.37 0.02 0.00 -1.74 0.00 0.00 39.64 39.77 1upl n ILE 139 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1upl h ALA 140 N 0.00 0.01 -0.02 -1.28 0.00 -0.59 -1.41 119.26 115.97 1upl h ALA 140 Ca 0.00 0.21 -0.20 0.00 0.00 0.00 0.00 54.91 54.92 1upl h ALA 140 Cb 0.20 0.92 -0.01 0.00 0.00 0.00 0.00 17.79 18.91 1upl h ALA 140 CO 0.00 -0.67 -0.84 -0.07 0.00 0.00 0.00 179.25 177.66 1upl h LEU 141 N -0.09 0.40 -1.00 0.00 3.38 -1.85 -2.03 115.31 114.11 1upl h LEU 141 Ca 0.28 -0.30 -0.04 0.00 0.09 0.00 0.00 57.88 57.91 1upl h LEU 141 Cb 0.57 -0.12 -0.03 0.00 0.09 0.00 0.00 40.66 41.17 1upl h LEU 141 CO -0.83 1.07 0.28 0.78 0.09 0.00 0.00 178.44 179.84 1upl h ASN 142 N 0.19 0.92 -0.77 -0.43 2.35 -1.83 -2.63 115.58 113.38 1upl h ASN 142 Ca -0.05 -0.12 0.00 0.00 -0.55 0.00 0.00 56.30 55.58 1upl h ASN 142 Cb 1.45 -0.24 -0.04 0.00 0.05 0.00 0.00 38.32 39.55 1upl h ASN 142 CO 0.14 0.81 0.49 0.00 -1.65 0.00 0.00 177.43 177.22 1upl h GLY 144 N 1.04 0.59 -0.72 0.00 0.00 -1.08 0.58 103.07 103.49 1upl h GLY 144 Ca 0.28 -0.55 0.00 0.00 0.00 0.00 0.00 47.33 47.06 1upl h GLY 144 CO -0.06 0.50 0.00 1.39 0.00 0.00 0.00 176.54 178.37 1upl n ILE 145 N -4.06 0.00 0.00 2.60 5.41 -0.84 0.27 119.36 122.74 1upl n ILE 145 Ca -0.01 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.74 1upl n ILE 145 Cb 0.47 -0.14 0.00 0.00 -0.71 0.00 0.00 39.64 39.26 1upl n ILE 145 CO 0.00 0.00 0.00 0.18 0.00 0.00 0.00 176.55 176.73 1upl n LEU 147 N 0.18 0.00 0.27 1.39 4.77 0.19 -2.48 117.00 121.33 1upl n LEU 147 Ca 0.00 0.00 0.11 0.00 -0.03 0.00 0.00 56.01 56.09 1upl n LEU 147 Cb 0.00 0.00 0.75 0.00 -2.33 0.00 0.00 43.42 41.84 1upl n LEU 147 CO 0.00 0.00 1.08 0.03 -1.33 0.00 0.00 177.39 177.17 1upl h ARG 148 N 0.00 0.00 -0.18 3.23 3.08 -0.44 -1.61 114.38 118.46 1upl h ARG 148 Ca 0.00 0.00 -0.18 0.00 0.07 0.00 0.00 59.98 59.87 1upl h ARG 148 Cb 0.00 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.05 1upl h ARG 148 CO 0.00 0.02 -0.61 1.49 -1.07 0.00 0.00 179.97 179.80 1upl h GLU 149 N 0.00 0.62 0.12 0.04 4.57 -1.71 -3.18 114.58 115.04 1upl h GLU 149 Ca -0.00 -0.43 -0.01 0.00 -1.18 0.00 0.00 59.36 57.75 1upl h GLU 149 Cb 0.03 0.06 0.00 0.00 -0.16 0.00 0.00 28.75 28.69 1upl h GLU 149 CO 0.00 1.04 -0.06 0.00 -1.18 0.00 0.00 179.01 178.82 1upl h ILE 151 N -0.32 0.00 0.00 0.00 1.08 -1.31 0.29 117.51 117.26 1upl h ILE 151 Ca -0.02 0.00 0.00 0.00 -0.39 0.00 0.00 64.86 64.45 1upl h ILE 151 Cb 0.26 0.50 0.00 0.00 -3.07 0.00 0.00 36.82 34.50 1upl h ILE 151 CO 0.03 0.00 0.00 0.03 -0.69 0.00 0.00 178.15 177.52 1upl h ARG 152 N 0.00 0.00 -4.88 2.37 3.08 -1.51 -3.39 114.38 110.04 1upl h ARG 152 Ca 0.00 0.00 -0.67 0.00 0.07 0.00 0.00 59.98 59.38 1upl h ARG 152 Cb 0.81 0.00 -0.30 0.00 0.08 0.00 0.00 29.97 30.56 1upl h ARG 152 CO 0.00 0.00 -0.71 -1.01 -1.07 0.00 0.00 179.97 177.18 1upl s HIS 153 N -3.83 3.08 0.25 3.04 3.76 0.10 -4.97 115.29 116.73 1upl s HIS 153 Ca -0.03 -1.36 -0.05 0.00 -0.15 0.00 0.00 55.06 53.47 1upl s HIS 153 Cb 0.10 -2.11 0.48 0.00 1.11 0.00 0.00 32.58 32.15 1upl s HIS 153 CO 0.33 -0.68 1.64 1.49 -0.85 0.00 0.00 174.74 176.67 1upl h GLU 154 N 8.08 0.13 -0.69 1.40 4.81 -1.85 -0.38 114.58 126.09 1upl h GLU 154 Ca -0.33 -0.01 0.11 0.00 -0.13 0.00 0.00 59.36 59.00 1upl h GLU 154 Cb 1.12 -0.03 -0.08 0.00 0.63 0.00 0.00 28.75 30.39 1upl h GLU 154 CO 0.58 0.08 0.29 -1.35 -0.73 0.00 0.00 179.01 177.89 1upl h PRO 155 N 0.13 0.47 0.08 0.92 0.11 -1.93 0.81 132.00 132.59 1upl h PRO 155 Ca 0.43 -0.03 -0.25 0.00 0.11 0.00 0.00 66.00 66.27 1upl h PRO 155 Cb 0.78 -0.11 0.00 0.00 0.11 0.00 0.00 31.00 31.79 1upl h PRO 155 CO -0.65 0.31 -1.12 -0.07 -0.21 0.00 0.00 178.00 176.27 1upl h LEU 156 N 0.49 0.41 -0.47 2.35 3.38 -1.36 -2.88 115.31 117.23 1upl h LEU 156 Ca 0.35 -0.40 0.07 0.00 0.09 0.00 0.00 57.88 57.99 1upl h LEU 156 Cb 0.44 -0.13 -0.06 0.00 0.09 0.00 0.00 40.66 41.00 1upl h LEU 156 CO -0.32 1.27 0.15 0.00 0.09 0.00 0.00 178.44 179.63 1upl h ALA 157 N 0.68 0.57 -0.48 1.53 0.00 -0.92 -1.54 119.26 119.10 1upl h ALA 157 Ca -0.10 0.07 0.02 0.00 0.00 0.00 0.00 54.91 54.90 1upl h ALA 157 Cb 1.81 0.06 -0.03 0.00 0.00 0.00 0.00 17.79 19.63 1upl h ALA 157 CO 0.18 -0.24 0.32 -0.22 0.00 0.00 0.00 179.25 179.29 1upl h LYS 158 N 0.32 0.55 0.00 0.00 3.64 -0.80 0.23 116.57 120.51 1upl h LYS 158 Ca 0.23 -0.03 -0.10 0.00 -1.27 0.00 0.00 60.65 59.47 1upl h LYS 158 Cb 0.25 -0.12 -0.01 0.00 -0.41 0.00 0.00 32.23 31.93 1upl h LYS 158 CO -0.25 0.37 -0.48 0.82 -2.27 0.00 0.00 179.45 177.63 1upl h ILE 159 N 0.57 0.97 0.15 2.00 2.04 -1.09 -2.54 117.51 119.61 1upl h ILE 159 Ca 0.19 -1.95 -0.33 0.00 1.00 0.00 0.00 64.86 63.77 1upl h ILE 159 Cb 0.06 2.19 0.00 0.00 -0.74 0.00 0.00 36.82 38.33 1upl h ILE 159 CO -0.05 0.47 -1.67 0.40 0.00 0.00 0.00 178.15 177.31 1upl h ILE 160 N 0.00 1.02 -0.63 -0.67 2.04 -0.29 -3.28 117.51 115.69 1upl h ILE 160 Ca -0.00 -2.63 -0.02 0.00 1.00 0.00 0.00 64.86 63.21 1upl h ILE 160 Cb 1.15 2.75 -0.03 0.00 -0.74 0.00 0.00 36.82 39.94 1upl h ILE 160 CO 0.06 0.83 0.33 -0.07 0.00 0.00 0.00 178.15 179.30 1upl h LEU 161 N 0.09 0.81 -0.97 1.44 -0.00 -0.58 -2.97 115.31 113.13 1upl h LEU 161 Ca -0.30 -0.11 0.00 0.00 -0.00 0.00 0.00 57.88 57.47 1upl h LEU 161 Cb 2.06 -0.21 0.00 0.00 -0.00 0.00 0.00 40.66 42.52 1upl h LEU 161 CO 0.17 0.69 0.00 0.79 -0.00 0.00 0.00 178.44 180.08 1upl n TRP 162 N -4.53 0.29 -3.94 1.13 8.01 -0.96 -4.83 117.44 112.61 1upl n TRP 162 Ca 0.04 -0.14 -0.27 0.00 -1.31 0.00 0.00 57.50 55.82 1upl n TRP 162 Cb 0.10 0.00 -0.03 0.00 -2.01 0.00 0.00 31.31 29.37 1upl n TRP 162 CO 0.00 0.00 0.00 -1.54 -1.01 0.00 0.00 177.69 175.14 1upl s SER 163 N -1.24 6.32 0.42 -0.99 1.04 -1.12 -4.97 113.70 113.17 1upl s SER 163 Ca 0.24 0.18 0.29 0.00 0.48 0.00 0.00 55.95 57.14 1upl s SER 163 Cb 0.13 -1.91 1.17 0.00 0.10 0.00 0.00 66.02 65.51 1upl s SER 163 CO 0.18 0.07 1.86 -0.33 0.98 0.00 0.00 173.24 176.00 1upl h GLU 164 N 2.29 0.00 0.00 4.02 4.39 -1.88 -2.26 114.58 121.14 1upl h GLU 164 Ca -0.48 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.22 1upl h GLU 164 Cb 1.19 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.84 1upl h GLU 164 CO 0.70 0.00 0.00 1.96 -1.16 0.00 0.00 179.01 180.51 1upl h GLN 165 N 0.00 0.00 -1.00 2.33 7.50 -1.93 -2.81 115.11 119.20 1upl h GLN 165 Ca 0.00 0.00 0.20 0.00 0.50 0.00 0.00 58.65 59.35 1upl h GLN 165 Cb 0.48 0.00 -0.11 0.00 0.05 0.00 0.00 27.48 27.90 1upl h GLN 165 CO 0.00 0.00 0.61 0.35 -1.50 0.00 0.00 178.83 178.29 1upl h PHE 166 N 0.00 1.02 0.00 2.96 3.57 -1.55 -0.76 116.94 122.18 1upl h PHE 166 Ca 0.00 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.53 1upl h PHE 166 Cb 0.59 -0.30 0.00 0.00 2.79 0.00 0.00 35.95 39.02 1upl h PHE 166 CO 0.00 0.20 0.00 0.66 -2.23 0.00 0.00 178.31 176.94 1upl n TYR 167 N -4.76 0.00 0.29 0.41 4.01 -1.06 -1.42 117.16 114.63 1upl n TYR 167 Ca 0.24 0.00 0.16 0.00 -0.16 0.00 0.00 57.90 58.14 1upl n TYR 167 Cb 0.62 -0.36 0.90 0.00 -0.31 0.00 0.00 39.34 40.20 1upl n TYR 167 CO 0.00 0.00 0.00 -0.44 -0.46 0.00 0.00 176.86 175.96 1upl h ASP 168 N 0.00 0.00 -0.08 7.72 3.32 -1.32 -2.78 116.42 123.27 1upl h ASP 168 Ca 0.00 0.00 0.02 0.00 0.02 0.00 0.00 57.03 57.07 1upl h ASP 168 Cb 0.23 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 39.77 1upl h ASP 168 CO 0.00 0.04 0.09 -0.26 -1.72 0.00 0.00 179.24 177.38 1upl h PHE 169 N 0.00 0.00 0.00 4.55 0.04 -1.42 -0.36 116.94 119.75 1upl h PHE 169 Ca -0.00 0.00 -0.16 0.00 2.80 0.00 0.00 57.97 60.61 1upl h PHE 169 Cb 0.12 0.00 -0.02 0.00 2.20 0.00 0.00 35.95 38.25 1upl h PHE 169 CO 0.00 0.00 -0.76 0.74 -0.60 0.00 0.00 178.31 177.69 1upl h PHE 170 N 0.00 0.00 -0.00 -0.55 0.04 -1.73 0.48 116.94 115.17 1upl h PHE 170 Ca 0.04 0.00 -0.00 0.00 2.80 0.00 0.00 57.97 60.81 1upl h PHE 170 Cb 0.21 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.36 1upl h PHE 170 CO 0.00 0.76 -0.01 -0.09 -0.60 0.00 0.00 178.31 178.37 1upl h ARG 171 N 0.00 0.01 -0.38 1.51 2.43 -1.29 -3.33 114.38 113.33 1upl h ARG 171 Ca -0.01 -0.01 -0.04 0.00 -0.81 0.00 0.00 59.98 59.11 1upl h ARG 171 Cb 1.47 0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 31.01 1upl h ARG 171 CO 0.10 0.69 0.08 1.88 -1.51 0.00 0.00 179.97 181.21 1upl h TYR 172 N -0.67 0.65 -0.04 2.20 0.05 -0.93 -2.41 116.97 115.83 1upl h TYR 172 Ca -0.00 -0.08 0.01 0.00 0.05 0.00 0.00 58.73 58.71 1upl h TYR 172 Cb 0.69 -0.18 -0.00 0.00 1.01 0.00 0.00 36.73 38.25 1upl h TYR 172 CO 0.17 0.64 0.09 -0.39 -1.05 0.00 0.00 178.16 177.62 1upl h VAL 173 N 0.47 0.21 -3.14 -2.88 -1.51 -0.19 -3.40 116.25 105.81 1upl h VAL 173 Ca 0.12 0.00 -0.79 0.00 -1.23 0.00 0.00 66.70 64.80 1upl h VAL 173 Cb 0.33 0.92 -0.26 0.00 -2.13 0.00 0.00 31.29 30.15 1upl h VAL 173 CO 0.00 0.00 0.72 -0.62 -1.23 0.00 0.00 177.57 176.45 1upl n GLU 174 N -3.36 3.75 0.00 5.19 1.02 -0.91 -4.72 120.64 121.61 1upl n GLU 174 Ca -0.02 -4.37 0.00 0.00 -0.02 0.00 0.00 57.16 52.76 1upl n GLU 174 Cb 0.17 -2.62 0.00 0.00 -0.02 0.00 0.00 31.44 28.97 1upl n GLU 174 CO 0.00 0.00 0.00 0.43 1.18 0.00 0.00 177.13 178.74 1upl n SER 176 N 2.77 0.00 -2.21 1.62 7.64 -1.26 -5.04 113.62 117.14 1upl n SER 176 Ca 0.27 0.00 -0.22 0.00 1.01 0.00 0.00 58.87 59.92 1upl n SER 176 Cb 0.38 0.00 -0.01 0.00 -1.01 0.00 0.00 64.21 63.57 1upl n SER 176 CO 0.00 0.00 0.00 0.35 -3.01 0.00 0.00 175.04 172.38 1upl n THR 177 N 0.00 0.55 -0.27 0.44 -2.24 -1.26 -4.62 114.28 106.88 1upl n THR 177 Ca 0.00 -0.26 0.03 0.00 -2.27 0.00 0.00 64.05 61.55 1upl n THR 177 Cb 0.00 0.00 0.11 0.00 -2.10 0.00 0.00 70.33 68.34 1upl n THR 177 CO 0.00 0.00 0.00 0.15 -0.57 0.00 0.00 175.07 174.65 1upl h PHE 178 N 0.27 -0.35 0.05 4.78 3.57 -2.00 -2.73 116.94 120.54 1upl h PHE 178 Ca -0.17 0.07 0.00 0.00 3.53 0.00 0.00 57.97 61.40 1upl h PHE 178 Cb 0.74 0.28 -0.01 0.00 2.79 0.00 0.00 35.95 39.74 1upl h PHE 178 CO 0.17 -0.32 -0.13 0.38 -2.23 0.00 0.00 178.31 176.18 1upl h ASP 179 N 0.01 -0.38 -0.14 0.41 2.03 -2.00 -1.83 116.42 114.53 1upl h ASP 179 Ca 0.38 0.04 0.05 0.00 -0.73 0.00 0.00 57.03 56.77 1upl h ASP 179 Cb 0.61 0.14 -0.07 0.00 -0.83 0.00 0.00 39.33 39.18 1upl h ASP 179 CO -0.78 -0.14 -0.36 0.40 -1.03 0.00 0.00 179.24 177.33 1upl h ILE 180 N -0.20 0.23 -0.79 4.15 1.08 -1.89 -1.29 117.51 118.79 1upl h ILE 180 Ca -0.00 0.00 0.17 0.00 -0.39 0.00 0.00 64.86 64.63 1upl h ILE 180 Cb 0.19 0.23 -0.05 0.00 -3.07 0.00 0.00 36.82 34.12 1upl h ILE 180 CO -0.06 0.00 0.53 0.00 -0.69 0.00 0.00 178.15 177.93 1upl h ALA 181 N 0.32 2.16 0.00 1.87 0.00 -1.36 1.00 119.26 123.26 1upl h ALA 181 Ca 0.09 0.00 -0.18 0.00 0.00 0.00 0.00 54.91 54.82 1upl h ALA 181 Cb 0.58 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.30 1upl h ALA 181 CO -0.38 -0.39 -0.84 0.77 0.00 0.00 0.00 179.25 178.42 1upl h SER 182 N 0.40 0.10 -0.22 0.00 0.02 -0.43 -2.10 113.55 111.31 1upl h SER 182 Ca 0.40 -0.08 -0.12 0.00 -0.84 0.00 0.00 61.79 61.15 1upl h SER 182 Cb 0.96 -0.03 -0.00 0.00 0.14 0.00 0.00 62.40 63.47 1upl h SER 182 CO -0.13 0.89 -0.33 -0.78 -1.14 0.00 0.00 176.83 175.34 1upl h ASP 183 N 0.04 0.67 -0.62 3.07 3.58 0.19 -2.62 116.42 120.74 1upl h ASP 183 Ca -0.02 -0.52 0.02 0.00 0.42 0.00 0.00 57.03 56.93 1upl h ASP 183 Cb 1.46 -0.19 -0.04 0.00 1.72 0.00 0.00 39.33 42.28 1upl h ASP 183 CO 0.12 1.06 0.39 0.00 -2.88 0.00 0.00 179.24 177.93 1upl h ALA 184 N 0.63 0.79 -0.83 -0.78 0.00 -0.40 -2.61 119.26 116.07 1upl h ALA 184 Ca 0.02 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.89 1upl h ALA 184 Cb 0.91 -0.21 -0.04 0.00 0.00 0.00 0.00 17.79 18.45 1upl h ALA 184 CO 0.08 0.16 0.46 0.35 0.00 0.00 0.00 179.25 180.30 1upl h PHE 185 N 0.78 1.13 -0.71 0.00 3.04 -1.33 0.13 116.94 119.98 1upl h PHE 185 Ca 0.24 -0.02 -0.07 0.00 3.98 0.00 0.00 57.97 62.10 1upl h PHE 185 Cb -0.02 -0.36 -0.03 0.00 2.56 0.00 0.00 35.95 38.09 1upl h PHE 185 CO -0.04 0.78 0.16 0.00 -2.02 0.00 0.00 178.31 177.19 1upl h ALA 186 N 1.35 0.94 -0.71 2.41 0.00 -1.11 0.52 119.26 122.66 1upl h ALA 186 Ca 0.29 -0.26 -0.07 0.00 0.00 0.00 0.00 54.91 54.88 1upl h ALA 186 Cb 0.01 -0.27 -0.03 0.00 0.00 0.00 0.00 17.79 17.50 1upl h ALA 186 CO -0.05 0.67 0.18 1.15 0.00 0.00 0.00 179.25 181.21 1upl h THR 187 N 1.08 1.26 0.39 0.00 2.02 -1.01 -0.85 112.91 115.82 1upl h THR 187 Ca 0.22 -0.96 -0.02 0.00 0.77 0.00 0.00 66.41 66.43 1upl h THR 187 Cb 0.39 0.52 0.00 0.00 -1.74 0.00 0.00 68.15 67.32 1upl h THR 187 CO 0.00 0.37 -0.21 0.15 0.37 0.00 0.00 175.52 176.20 1upl h PHE 188 N 1.07 -0.55 0.05 3.16 3.57 0.47 -1.34 116.94 123.38 1upl h PHE 188 Ca 0.22 -0.01 0.03 0.00 3.53 0.00 0.00 57.97 61.74 1upl h PHE 188 Cb 0.36 0.19 -0.05 0.00 2.79 0.00 0.00 35.95 39.24 1upl h PHE 188 CO 0.03 -0.33 -0.34 -0.22 -2.23 0.00 0.00 178.31 175.21 1upl h LYS 189 N -0.56 -0.51 -0.52 1.11 3.64 0.06 -2.80 116.57 116.99 1upl h LYS 189 Ca -0.05 0.03 0.08 0.00 -1.27 0.00 0.00 60.65 59.45 1upl h LYS 189 Cb 0.45 0.12 -0.07 0.00 -0.41 0.00 0.00 32.23 32.31 1upl h LYS 189 CO 0.07 -0.34 0.14 0.22 -2.27 0.00 0.00 179.45 177.27 1upl h ASP 190 N -0.53 0.08 -0.68 4.20 1.82 -0.78 -0.44 116.42 120.10 1upl h ASP 190 Ca 0.05 0.08 0.15 0.00 -0.39 0.00 0.00 57.03 56.92 1upl h ASP 190 Cb 0.59 0.09 -0.04 0.00 0.68 0.00 0.00 39.33 40.65 1upl h ASP 190 CO -0.25 0.07 0.47 -0.07 -1.61 0.00 0.00 179.24 177.85 1upl h LEU 191 N 0.29 0.24 -0.54 2.28 3.38 -1.02 0.24 115.31 120.19 1upl h LEU 191 Ca 0.26 0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.24 1upl h LEU 191 Cb 0.33 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 41.05 1upl h LEU 191 CO -0.31 0.12 -0.47 0.18 0.09 0.00 0.00 178.44 178.05 1upl n LEU 192 N -4.44 1.31 0.00 1.67 4.77 -0.24 -4.55 117.00 115.52 1upl n LEU 192 Ca 0.13 -0.44 0.00 0.00 -0.03 0.00 0.00 56.01 55.67 1upl n LEU 192 Cb 0.57 -0.08 0.00 0.00 -2.33 0.00 0.00 43.42 41.58 1upl n LEU 192 CO 0.34 0.26 -0.22 0.35 -1.33 0.00 0.00 177.39 176.79 1upl n THR 193 N -0.66 0.00 0.24 -5.08 -2.24 -0.59 -4.85 114.28 101.10 1upl n THR 193 Ca 0.09 0.00 -0.16 0.00 -2.27 0.00 0.00 64.05 61.71 1upl n THR 193 Cb 0.39 -0.16 -0.08 0.00 -2.10 0.00 0.00 70.33 68.38 1upl n THR 193 CO 0.00 0.00 0.00 -0.09 -0.57 0.00 0.00 175.07 174.41 1upl h ARG 194 N 0.00 -0.54 -4.29 -0.78 2.43 -0.79 -3.36 114.38 107.05 1upl h ARG 194 Ca 0.00 0.04 -0.74 0.00 -0.81 0.00 0.00 59.98 58.47 1upl h ARG 194 Cb 0.25 0.12 -0.25 0.00 -0.42 0.00 0.00 29.97 29.68 1upl h ARG 194 CO 0.00 -0.36 -0.34 -1.01 -1.51 0.00 0.00 179.97 176.75 1upl s HIS 195 N -6.09 3.29 0.10 2.20 3.76 -1.26 -4.96 115.29 112.32 1upl s HIS 195 Ca -0.16 -1.24 -0.27 0.00 -0.15 0.00 0.00 55.06 53.24 1upl s HIS 195 Cb 0.04 -3.30 -0.12 0.00 1.11 0.00 0.00 32.58 30.32 1upl s HIS 195 CO 0.63 -0.88 1.67 0.87 -0.85 0.00 0.00 174.74 176.18 1upl h LYS 196 N 8.67 -0.40 -0.42 1.40 1.79 -1.94 -1.19 116.57 124.48 1upl h LYS 196 Ca -0.27 0.03 -0.08 0.00 -2.18 0.00 0.00 60.65 58.15 1upl h LYS 196 Cb 1.10 0.09 -0.02 0.00 -1.58 0.00 0.00 32.23 31.82 1upl h LYS 196 CO 0.89 -0.27 -0.07 -0.07 -1.08 0.00 0.00 179.45 178.85 1upl h LEU 197 N -0.42 0.71 -0.18 2.94 3.38 -1.96 0.33 115.31 120.11 1upl h LEU 197 Ca -0.00 -0.19 -0.10 0.00 0.09 0.00 0.00 57.88 57.68 1upl h LEU 197 Cb 0.39 -0.19 -0.00 0.00 0.09 0.00 0.00 40.66 40.95 1upl h LEU 197 CO -0.04 0.82 -0.30 0.25 0.09 0.00 0.00 178.44 179.25 1upl h LEU 198 N 0.67 0.57 0.32 1.67 5.85 -1.97 -1.48 115.31 120.93 1upl h LEU 198 Ca 0.12 -0.54 -0.02 0.00 0.84 0.00 0.00 57.88 58.29 1upl h LEU 198 Cb 0.51 -0.16 0.00 0.00 0.37 0.00 0.00 40.66 41.38 1upl h LEU 198 CO 0.03 0.99 -0.15 -1.28 -0.34 0.00 0.00 178.44 177.69 1upl h SER 199 N 0.16 -0.36 -0.98 1.25 0.87 -0.74 0.40 113.55 114.15 1upl h SER 199 Ca 0.01 -0.03 0.17 0.00 -1.23 0.00 0.00 61.79 60.71 1upl h SER 199 Cb 0.88 0.09 -0.09 0.00 -0.44 0.00 0.00 62.40 62.84 1upl h SER 199 CO 0.07 -0.21 0.61 0.00 -0.53 0.00 0.00 176.83 176.77 1upl h ALA 200 N 0.19 1.71 -0.32 6.23 0.00 -0.39 0.34 119.26 127.02 1upl h ALA 200 Ca -0.04 0.05 -0.17 0.00 0.00 0.00 0.00 54.91 54.75 1upl h ALA 200 Cb 0.36 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 18.03 1upl h ALA 200 CO 0.07 -0.03 -0.46 1.49 0.00 0.00 0.00 179.25 180.32 1upl h GLU 201 N 0.78 0.85 0.36 0.00 4.57 -0.16 -1.65 114.58 119.32 1upl h GLU 201 Ca 0.53 -0.48 -0.02 0.00 -1.18 0.00 0.00 59.36 58.21 1upl h GLU 201 Cb 0.81 0.04 0.00 0.00 -0.16 0.00 0.00 28.75 29.43 1upl h GLU 201 CO -0.31 1.12 -0.17 0.35 -1.18 0.00 0.00 179.01 178.82 1upl h PHE 202 N 0.67 -0.44 -0.04 0.92 3.57 0.14 -2.43 116.94 119.33 1upl h PHE 202 Ca 0.04 -0.01 0.01 0.00 3.53 0.00 0.00 57.97 61.54 1upl h PHE 202 Cb 1.05 0.15 -0.00 0.00 2.79 0.00 0.00 35.95 39.93 1upl h PHE 202 CO 0.06 -0.27 0.03 -0.07 -2.23 0.00 0.00 178.31 175.83 1upl h LEU 203 N -0.48 0.00 -0.01 0.59 3.38 -0.77 -1.38 115.31 116.64 1upl h LEU 203 Ca -0.05 0.00 -0.07 0.00 0.09 0.00 0.00 57.88 57.85 1upl h LEU 203 Cb 0.37 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.12 1upl h LEU 203 CO 0.08 0.00 -0.29 -0.33 0.09 0.00 0.00 178.44 178.00 1upl h GLU 204 N 0.00 0.21 0.00 1.13 5.08 -0.96 -3.07 114.58 116.98 1upl h GLU 204 Ca 0.02 -0.21 0.00 0.00 -1.00 0.00 0.00 59.36 58.17 1upl h GLU 204 Cb 0.09 0.06 0.00 0.00 0.50 0.00 0.00 28.75 29.39 1upl h GLU 204 CO -0.00 0.92 0.00 1.96 -1.00 0.00 0.00 179.01 180.89 1upl h GLN 205 N -0.41 0.00 0.00 2.33 4.20 -1.00 -3.25 115.11 116.97 1upl h GLN 205 Ca -0.03 0.00 -0.03 0.00 0.06 0.00 0.00 58.65 58.65 1upl h GLN 205 Cb 1.02 0.00 -0.06 0.00 0.30 0.00 0.00 27.48 28.73 1upl h GLN 205 CO 0.06 0.00 -0.45 0.72 -0.67 0.00 0.00 178.83 178.49 1upl n HIS 206 N -2.95 0.00 0.06 2.96 8.25 -0.56 -4.92 115.22 118.05 1upl n HIS 206 Ca -0.01 -1.04 -0.10 0.00 -0.26 0.00 0.00 57.72 56.31 1upl n HIS 206 Cb 0.19 -0.18 -0.06 0.00 1.12 0.00 0.00 29.99 31.06 1upl n HIS 206 CO 0.00 0.00 0.00 -0.92 0.64 0.00 0.00 176.34 176.06 1upl h TYR 207 N 0.61 -0.97 -0.11 4.41 5.03 -1.57 0.70 116.97 125.08 1upl h TYR 207 Ca -0.04 0.03 0.03 0.00 2.58 0.00 0.00 58.73 61.33 1upl h TYR 207 Cb 1.19 0.42 -0.04 0.00 1.55 0.00 0.00 36.73 39.85 1upl h TYR 207 CO 0.38 -0.37 -0.12 -0.44 -1.32 0.00 0.00 178.16 176.30 1upl h ASP 208 N -0.46 -0.36 -0.09 -2.11 3.32 -1.91 -0.99 116.42 113.83 1upl h ASP 208 Ca -0.00 0.07 0.02 0.00 0.02 0.00 0.00 57.03 57.14 1upl h ASP 208 Cb 0.47 0.17 -0.02 0.00 0.22 0.00 0.00 39.33 40.17 1upl h ASP 208 CO -0.19 -0.16 -0.04 -0.09 -1.72 0.00 0.00 179.24 177.04 1upl h ARG 209 N -0.14 -0.04 -0.52 3.56 9.65 -1.93 -1.68 114.38 123.28 1upl h ARG 209 Ca 0.08 0.00 -0.05 0.00 -1.10 0.00 0.00 59.98 58.91 1upl h ARG 209 Cb 0.26 0.01 -0.02 0.00 -1.39 0.00 0.00 29.97 28.83 1upl h ARG 209 CO -0.19 -0.02 0.12 0.35 2.80 0.00 0.00 179.97 183.02 1upl h PHE 210 N -0.04 0.87 0.00 2.20 3.57 0.38 -2.08 116.94 121.84 1upl h PHE 210 Ca 0.05 -0.10 0.00 0.00 3.53 0.00 0.00 57.97 61.45 1upl h PHE 210 Cb 0.11 -0.24 0.00 0.00 2.79 0.00 0.00 35.95 38.61 1upl h PHE 210 CO -0.16 0.77 -0.34 0.74 -2.23 0.00 0.00 178.31 177.09 1upl h PHE 211 N 0.72 0.00 -0.25 0.41 0.04 -1.24 0.87 116.94 117.50 1upl h PHE 211 Ca 0.16 0.00 -0.12 0.00 2.80 0.00 0.00 57.97 60.81 1upl h PHE 211 Cb 0.34 0.00 -0.00 0.00 2.20 0.00 0.00 35.95 38.49 1upl h PHE 211 CO 0.02 0.00 -0.33 1.03 -0.60 0.00 0.00 178.31 178.43 1upl h SER 212 N 0.00 0.72 -0.42 2.17 0.87 -1.14 -0.46 113.55 115.29 1upl h SER 212 Ca 0.00 -0.50 -0.10 0.00 -1.23 0.00 0.00 61.79 59.96 1upl h SER 212 Cb 0.93 -0.21 -0.02 0.00 -0.44 0.00 0.00 62.40 62.66 1upl h SER 212 CO 0.00 1.08 -0.10 -0.33 -0.53 0.00 0.00 176.83 176.96 1upl h GLU 213 N 0.38 0.87 -0.24 2.24 4.39 -0.92 -3.07 114.58 118.24 1upl h GLU 213 Ca 0.03 -0.30 -0.07 0.00 0.34 0.00 0.00 59.36 59.36 1upl h GLU 213 Cb 0.91 -0.07 -0.01 0.00 -0.10 0.00 0.00 28.75 29.48 1upl h GLU 213 CO 0.08 0.93 -0.16 -0.92 -1.16 0.00 0.00 179.01 177.78 1upl h TYR 214 N 0.79 0.44 -0.99 4.33 5.03 -0.75 -2.15 116.97 123.68 1upl h TYR 214 Ca 0.13 -0.07 0.02 0.00 2.58 0.00 0.00 58.73 61.40 1upl h TYR 214 Cb 0.61 -0.12 -0.05 0.00 1.55 0.00 0.00 36.73 38.72 1upl h TYR 214 CO 0.03 0.56 0.65 1.49 -1.32 0.00 0.00 178.16 179.58 1upl h GLU 215 N 0.38 1.26 -0.80 1.82 4.81 -1.02 -1.47 114.58 119.55 1upl h GLU 215 Ca 0.07 -0.08 0.01 0.00 -0.13 0.00 0.00 59.36 59.23 1upl h GLU 215 Cb 0.51 -0.28 -0.04 0.00 0.63 0.00 0.00 28.75 29.57 1upl h GLU 215 CO 0.03 0.83 0.53 0.87 -0.73 0.00 0.00 179.01 180.55 1upl h LYS 216 N 1.30 1.05 -0.64 1.92 1.57 -1.30 -1.94 116.57 118.53 1upl h LYS 216 Ca 0.38 -0.06 -0.00 0.00 -1.87 0.00 0.00 60.65 59.09 1upl h LYS 216 Cb -0.07 -0.24 -0.03 0.00 0.08 0.00 0.00 32.23 31.97 1upl h LYS 216 CO -0.10 0.70 0.39 -0.07 -0.57 0.00 0.00 179.45 179.79 1upl h LEU 217 N 1.09 0.77 -2.41 2.94 3.38 -1.32 -2.54 115.31 117.21 1upl h LEU 217 Ca 0.29 -0.06 0.00 0.00 0.09 0.00 0.00 57.88 58.21 1upl h LEU 217 Cb -0.12 -0.19 0.00 0.00 0.09 0.00 0.00 40.66 40.43 1upl h LEU 217 CO -0.06 0.60 0.00 -0.07 0.09 0.00 0.00 178.44 179.00 1upl h LEU 218 N 0.87 0.00 -1.76 1.67 3.38 -0.53 -1.68 115.31 117.26 1upl h LEU 218 Ca 0.23 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.20 1upl h LEU 218 Cb -0.03 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.72 1upl h LEU 218 CO -0.04 0.00 0.00 1.41 0.09 0.00 0.00 178.44 179.90 1upl n HIS 219 N -3.06 0.32 -1.79 1.13 8.25 -0.94 -4.96 115.22 114.18 1upl n HIS 219 Ca -0.02 -0.16 -0.35 0.00 -0.26 0.00 0.00 57.72 56.93 1upl n HIS 219 Cb 0.15 0.00 0.05 0.00 1.12 0.00 0.00 29.99 31.32 1upl n HIS 219 CO 0.00 0.00 0.00 0.45 0.64 0.00 0.00 176.34 177.43 1upl s SER 220 N -1.58 4.86 0.05 0.41 0.15 -0.63 -4.93 113.70 112.03 1upl s SER 220 Ca 0.35 2.31 0.23 0.00 0.70 0.00 0.00 55.95 59.55 1upl s SER 220 Cb 0.20 -2.59 0.19 0.00 -1.71 0.00 0.00 66.02 62.12 1upl s SER 220 CO 0.29 -1.81 1.16 -0.62 1.20 0.00 0.00 173.24 173.47 1upl n GLU 221 N -2.09 0.19 -2.37 5.44 1.02 -1.26 -4.80 120.64 116.77 1upl n GLU 221 Ca 0.13 0.01 -0.42 0.00 -0.02 0.00 0.00 57.16 56.86 1upl n GLU 221 Cb 0.50 -1.58 -0.03 0.00 -0.02 0.00 0.00 31.44 30.32 1upl n GLU 221 CO 0.00 0.00 0.00 1.21 1.18 0.00 0.00 177.13 179.52 1upl s ASN 222 N -3.67 6.96 0.13 1.62 3.84 -1.26 -4.94 114.94 117.62 1upl s ASN 222 Ca 0.06 1.88 -0.19 0.00 0.21 0.00 0.00 52.86 54.83 1upl s ASN 222 Cb 0.15 -2.55 -0.05 0.00 -0.55 0.00 0.00 41.25 38.25 1upl s ASN 222 CO 0.77 -0.66 1.76 0.22 -2.79 0.00 0.00 177.10 176.40 1upl h TYR 223 N 7.77 0.34 -0.56 0.43 3.20 -2.01 -1.91 116.97 124.23 1upl h TYR 223 Ca -0.34 0.00 -0.04 0.00 3.14 0.00 0.00 58.73 61.49 1upl h TYR 223 Cb 1.16 -0.11 -0.03 0.00 1.54 0.00 0.00 36.73 39.29 1upl h TYR 223 CO 0.75 0.24 0.17 0.28 -1.64 0.00 0.00 178.16 177.97 1upl h VAL 224 N 0.34 1.22 -0.38 1.81 2.07 -1.99 -2.21 116.25 117.10 1upl h VAL 224 Ca 0.09 -0.75 -0.03 0.00 0.82 0.00 0.00 66.70 66.84 1upl h VAL 224 Cb -0.01 0.60 -0.02 0.00 -1.52 0.00 0.00 31.29 30.35 1upl h VAL 224 CO -0.02 0.29 0.13 0.74 0.02 0.00 0.00 177.57 178.73 1upl h THR 225 N 0.82 1.21 -0.24 2.57 2.02 -1.78 -0.70 112.91 116.80 1upl h THR 225 Ca 0.19 -0.66 -0.06 0.00 0.77 0.00 0.00 66.41 66.64 1upl h THR 225 Cb 0.24 0.93 -0.01 0.00 -1.74 0.00 0.00 68.15 67.57 1upl h THR 225 CO -0.01 0.23 -0.09 0.11 0.37 0.00 0.00 175.52 176.13 1upl h LYS 226 N 0.46 0.49 0.00 6.66 1.57 -1.20 -2.23 116.57 122.34 1upl h LYS 226 Ca 0.12 -0.20 0.03 0.00 -1.87 0.00 0.00 60.65 58.73 1upl h LYS 226 Cb 0.23 -0.02 -0.06 0.00 0.08 0.00 0.00 32.23 32.47 1upl h LYS 226 CO -0.01 0.74 -0.45 -0.09 -0.57 0.00 0.00 179.45 179.07 1upl h ARG 227 N 0.22 -0.58 -0.87 3.15 2.43 -1.31 0.14 114.38 117.57 1upl h ARG 227 Ca 0.06 0.04 -0.03 0.00 -0.81 0.00 0.00 59.98 59.24 1upl h ARG 227 Cb 0.57 0.13 -0.04 0.00 -0.42 0.00 0.00 29.97 30.22 1upl h ARG 227 CO 0.03 -0.39 0.44 1.96 -1.51 0.00 0.00 179.97 180.50 1upl h GLN 228 N -0.60 1.24 -0.33 0.20 1.08 -1.10 -1.78 115.11 113.81 1upl h GLN 228 Ca 0.04 -0.17 -0.17 0.00 -1.45 0.00 0.00 58.65 56.90 1upl h GLN 228 Cb 0.68 -0.23 -0.00 0.00 -0.05 0.00 0.00 27.48 27.87 1upl h GLN 228 CO -0.33 0.93 -0.47 0.77 -0.95 0.00 0.00 178.83 178.78 1upl h SER 229 N 1.23 0.97 0.19 1.46 0.02 -0.90 -1.01 113.55 115.52 1upl h SER 229 Ca 0.30 -0.49 -0.01 0.00 -0.84 0.00 0.00 61.79 60.76 1upl h SER 229 Cb 0.09 -0.28 0.00 0.00 0.14 0.00 0.00 62.40 62.35 1upl h SER 229 CO -0.04 1.28 -0.09 -0.07 -1.14 0.00 0.00 176.83 176.77 1upl h LEU 230 N 0.71 -0.22 -0.29 5.07 -0.00 -0.54 0.18 115.31 120.22 1upl h LEU 230 Ca 0.04 -0.02 0.02 0.00 -0.00 0.00 0.00 57.88 57.92 1upl h LEU 230 Cb 1.07 0.06 -0.02 0.00 -0.00 0.00 0.00 40.66 41.77 1upl h LEU 230 CO 0.11 -0.13 0.15 0.50 -0.00 0.00 0.00 178.44 179.07 1upl h LYS 231 N -0.29 0.30 -0.03 1.13 3.64 -1.19 -2.19 116.57 117.94 1upl h LYS 231 Ca -0.03 -0.02 -0.00 0.00 -1.27 0.00 0.00 60.65 59.33 1upl h LYS 231 Cb 0.22 -0.07 -0.00 0.00 -0.41 0.00 0.00 32.23 31.97 1upl h LYS 231 CO 0.04 0.20 0.01 1.25 -2.27 0.00 0.00 179.45 178.69 1upl h LEU 232 N 0.31 0.04 -0.84 5.20 5.85 -1.09 -2.44 115.31 122.35 1upl h LEU 232 Ca 0.12 -0.17 0.13 0.00 0.84 0.00 0.00 57.88 58.80 1upl h LEU 232 Cb 0.02 -0.01 -0.14 0.00 0.37 0.00 0.00 40.66 40.91 1upl h LEU 232 CO -0.07 0.20 -0.32 -0.11 -0.34 0.00 0.00 178.44 177.80 1upl n LEU 233 N -4.98 -0.53 -0.11 2.25 7.94 0.04 0.44 117.00 122.05 1upl n LEU 233 Ca -0.07 1.46 -0.06 0.00 -1.11 0.00 0.00 56.01 56.23 1upl n LEU 233 Cb 0.11 -0.34 0.12 0.00 0.53 0.00 0.00 43.42 43.84 1upl n LEU 233 CO 0.33 -1.32 0.81 1.23 -1.11 0.00 0.00 177.39 177.34 1upl h GLY 234 N 0.00 0.88 0.90 -3.96 0.00 -1.18 -0.16 103.07 99.55 1upl h GLY 234 Ca 0.30 -0.65 -0.02 0.00 0.00 0.00 0.00 47.33 46.96 1upl h GLY 234 CO -0.83 0.60 0.10 0.83 0.00 0.00 0.00 176.54 177.23 1upl h GLU 235 N 0.74 0.40 -0.24 4.80 5.08 -0.72 -1.26 114.58 123.39 1upl h GLU 235 Ca 0.13 -0.08 0.04 0.00 -1.00 0.00 0.00 59.36 58.45 1upl h GLU 235 Cb 0.56 -0.06 -0.03 0.00 0.50 0.00 0.00 28.75 29.71 1upl h GLU 235 CO 0.03 0.45 0.02 -0.07 -1.00 0.00 0.00 179.01 178.44 1upl h LEU 236 N 0.27 -0.04 -1.33 1.33 3.38 0.36 -2.97 115.31 116.31 1upl h LEU 236 Ca 0.09 0.04 -0.04 0.00 0.09 0.00 0.00 57.88 58.06 1upl h LEU 236 Cb 0.20 0.07 -0.01 0.00 0.09 0.00 0.00 40.66 41.02 1upl h LEU 236 CO -0.01 0.01 -0.19 -0.07 0.09 0.00 0.00 178.44 178.27 1upl h LEU 237 N 0.11 0.00 -0.98 1.67 3.38 -0.87 -3.08 115.31 115.54 1upl h LEU 237 Ca 0.11 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.08 1upl h LEU 237 Cb 0.13 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.88 1upl h LEU 237 CO -0.17 0.19 -0.21 0.18 0.09 0.00 0.00 178.44 178.53 1upl n LEU 238 N -3.43 1.73 -4.72 1.67 4.77 -0.49 -4.88 117.00 111.65 1upl n LEU 238 Ca -0.00 -0.57 -0.41 0.00 -0.03 0.00 0.00 56.01 54.99 1upl n LEU 238 Cb 0.38 -0.04 -0.04 0.00 -2.33 0.00 0.00 43.42 41.39 1upl n LEU 238 CO 0.32 0.31 0.78 -0.62 -1.33 0.00 0.00 177.39 176.84 1upl s ASP 239 N -2.29 7.27 0.37 -1.43 3.68 -1.16 -4.92 116.67 118.18 1upl s ASP 239 Ca 0.27 1.94 0.27 0.00 2.13 0.00 0.00 52.55 57.16 1upl s ASP 239 Cb 0.20 -2.59 0.93 0.00 -1.45 0.00 0.00 42.92 40.00 1upl s ASP 239 CO 0.45 -0.27 1.79 0.08 0.13 0.00 0.00 175.17 177.34 1upl h ARG 240 N 5.96 0.00 0.00 4.34 0.11 -1.90 0.04 114.38 122.93 1upl h ARG 240 Ca -0.43 0.00 -0.06 0.00 0.10 0.00 0.00 59.98 59.60 1upl h ARG 240 Cb 1.21 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 32.29 1upl h ARG 240 CO 0.75 0.00 -0.27 0.45 0.10 0.00 0.00 179.97 181.00 1upl h HIS 241 N 0.00 0.00 -0.80 4.08 3.86 -1.94 -3.14 115.15 117.21 1upl h HIS 241 Ca 0.00 0.00 -0.35 0.00 -1.16 0.00 0.00 60.37 58.86 1upl h HIS 241 Cb 0.62 0.00 -0.21 0.00 1.06 0.00 0.00 27.41 28.88 1upl h HIS 241 CO 0.00 0.27 0.45 0.09 0.86 0.00 0.00 177.93 179.60 1upl n ASN 242 N -3.89 4.03 -0.06 2.45 3.02 0.00 -4.73 115.26 116.09 1upl n ASN 242 Ca -0.02 -3.29 0.09 0.00 -0.03 0.00 0.00 54.58 51.34 1upl n ASN 242 Cb 0.35 -0.77 0.47 0.00 -0.61 0.00 0.00 39.78 39.22 1upl n ASN 242 CO 0.00 0.00 0.00 0.15 -2.62 0.00 0.00 177.26 174.79 1upl h PHE 243 N 1.51 0.48 0.05 3.10 3.57 -1.65 -2.90 116.94 121.10 1upl h PHE 243 Ca 0.44 0.01 -0.12 0.00 3.53 0.00 0.00 57.97 61.83 1upl h PHE 243 Cb 2.47 -0.16 -0.00 0.00 2.79 0.00 0.00 35.95 41.05 1upl h PHE 243 CO 1.32 0.25 -0.59 1.15 -2.23 0.00 0.00 178.31 178.21 1upl h THR 244 N 0.47 1.48 0.00 4.41 2.02 -1.90 -0.26 112.91 119.13 1upl h THR 244 Ca 0.24 -2.37 0.00 0.00 0.77 0.00 0.00 66.41 65.05 1upl h THR 244 Cb 0.33 3.06 0.00 0.00 -1.74 0.00 0.00 68.15 69.80 1upl h THR 244 CO -0.06 0.59 0.00 -0.38 0.37 0.00 0.00 175.52 176.04 1upl n ILE 245 N -4.38 0.00 0.00 3.11 5.41 -1.10 -1.69 119.36 120.71 1upl n ILE 245 Ca -0.17 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.58 1upl n ILE 245 Cb 0.65 -0.38 0.00 0.00 -0.71 0.00 0.00 39.64 39.19 1upl n ILE 245 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 176.55 176.96 1upl n THR 247 N 0.00 0.00 -0.01 1.39 -1.04 -0.11 -2.09 114.28 112.43 1upl n THR 247 Ca 0.00 0.00 -0.13 0.00 -2.04 0.00 0.00 64.05 61.88 1upl n THR 247 Cb 0.00 0.00 -0.10 0.00 -1.82 0.00 0.00 70.33 68.41 1upl n THR 247 CO 0.00 0.00 0.00 0.50 -0.64 0.00 0.00 175.07 174.93 1upl h LYS 248 N 0.00 -0.00 -0.78 -2.82 3.64 -1.59 -3.21 116.57 111.81 1upl h LYS 248 Ca 0.00 0.00 -0.05 0.00 -1.27 0.00 0.00 60.65 59.33 1upl h LYS 248 Cb 0.00 0.00 -0.03 0.00 -0.41 0.00 0.00 32.23 31.79 1upl h LYS 248 CO 0.00 0.42 0.29 -0.92 -2.27 0.00 0.00 179.45 176.97 1upl h TYR 249 N -0.43 1.21 -0.02 1.91 5.03 -1.67 0.24 116.97 123.23 1upl h TYR 249 Ca -0.00 -0.10 0.00 0.00 2.58 0.00 0.00 58.73 61.21 1upl h TYR 249 Cb 0.43 -0.36 0.00 0.00 1.55 0.00 0.00 36.73 38.35 1upl h TYR 249 CO 0.07 0.93 0.00 0.44 -1.32 0.00 0.00 178.16 178.28 1upl n ILE 250 N -4.26 0.03 1.02 1.81 -5.35 -1.24 -3.25 119.36 108.11 1upl n ILE 250 Ca 0.07 -0.04 0.12 0.00 -0.27 0.00 0.00 62.75 62.63 1upl n ILE 250 Cb 0.20 -0.13 0.07 0.00 -1.74 0.00 0.00 39.64 38.04 1upl n ILE 250 CO 0.00 0.00 0.00 -1.54 -1.76 0.00 0.00 176.55 173.25 1upl n SER 251 N -0.58 2.56 -4.41 7.28 3.41 0.07 -4.89 113.62 117.07 1upl n SER 251 Ca 0.09 -1.78 -0.44 0.00 -0.26 0.00 0.00 58.87 56.48 1upl n SER 251 Cb 0.07 0.19 -0.07 0.00 -0.26 0.00 0.00 64.21 64.14 1upl n SER 251 CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 1upl s LYS 252 N -2.19 3.03 0.30 4.33 1.02 -1.20 -4.77 119.74 120.26 1upl s LYS 252 Ca 0.24 -1.19 0.03 0.00 0.02 0.00 0.00 55.97 55.08 1upl s LYS 252 Cb 0.19 -4.12 0.78 0.00 -0.52 0.00 0.00 37.83 34.16 1upl s LYS 252 CO 0.41 -1.11 1.60 -1.35 -0.92 0.00 0.00 175.35 173.98 1upl h PRO 253 N 8.85 0.07 -0.85 -1.68 0.11 -1.91 0.57 132.00 137.17 1upl h PRO 253 Ca -0.28 -0.00 0.15 0.00 0.11 0.00 0.00 66.00 65.97 1upl h PRO 253 Cb 1.10 -0.02 -0.09 0.00 0.11 0.00 0.00 31.00 32.10 1upl h PRO 253 CO 0.92 0.05 0.43 0.93 -0.21 0.00 0.00 178.00 180.11 1upl h GLU 254 N 0.07 0.59 -0.44 1.05 4.39 -1.97 -1.27 114.58 117.00 1upl h GLU 254 Ca 0.60 -0.04 -0.11 0.00 0.34 0.00 0.00 59.36 60.15 1upl h GLU 254 Cb 1.26 -0.13 -0.02 0.00 -0.10 0.00 0.00 28.75 29.76 1upl h GLU 254 CO -0.81 0.39 -0.16 -0.91 -1.16 0.00 0.00 179.01 176.36 1upl h ASN 255 N 0.61 0.84 -0.59 1.42 2.35 -0.17 -2.31 115.58 117.74 1upl h ASN 255 Ca 0.46 -0.28 -0.08 0.00 -0.55 0.00 0.00 56.30 55.85 1upl h ASN 255 Cb 0.66 -0.23 -0.02 0.00 0.05 0.00 0.00 38.32 38.77 1upl h ASN 255 CO -0.37 1.00 0.06 0.25 -1.65 0.00 0.00 177.43 176.72 1upl h LEU 256 N 0.75 0.99 -1.07 1.61 5.85 -1.03 -2.24 115.31 120.17 1upl h LEU 256 Ca 0.11 -0.25 -0.08 0.00 0.84 0.00 0.00 57.88 58.50 1upl h LEU 256 Cb 0.68 -0.26 -0.01 0.00 0.37 0.00 0.00 40.66 41.43 1upl h LEU 256 CO 0.05 1.01 -0.22 0.11 -0.34 0.00 0.00 178.44 179.05 1upl h LYS 257 N 0.95 0.39 -4.90 1.25 1.57 -1.09 -3.42 116.57 111.34 1upl h LYS 257 Ca 0.18 -0.13 -0.50 0.00 -1.87 0.00 0.00 60.65 58.33 1upl h LYS 257 Cb 0.47 -0.03 0.04 0.00 0.08 0.00 0.00 32.23 32.79 1upl h LYS 257 CO 0.02 0.60 1.59 -0.11 -0.57 0.00 0.00 179.45 180.98 1upl n LEU 258 N -4.15 2.98 0.00 2.94 7.94 -0.85 -4.58 117.00 121.28 1upl n LEU 258 Ca -0.00 -2.67 0.00 0.00 -1.11 0.00 0.00 56.01 52.23 1upl n LEU 258 Cb 0.37 -1.22 0.00 0.00 0.53 0.00 0.00 43.42 43.10 1upl n LEU 258 CO 0.41 -1.37 0.00 0.59 -1.11 0.00 0.00 177.39 175.91 1upl n ASN 261 N 10.76 0.00 0.25 1.96 5.03 -1.26 -4.64 115.26 127.36 1upl n ASN 261 Ca 0.47 0.00 0.13 0.00 0.87 0.00 0.00 54.58 56.05 1upl n ASN 261 Cb 0.43 0.00 0.61 0.00 -1.02 0.00 0.00 39.78 39.80 1upl n ASN 261 CO 0.00 0.00 0.00 -0.07 -1.83 0.00 0.00 177.26 175.36 1upl h LEU 262 N 0.00 0.00 -2.41 3.41 3.38 -1.95 -2.12 115.31 115.61 1upl h LEU 262 Ca 0.00 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.96 1upl h LEU 262 Cb 0.00 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.75 1upl h LEU 262 CO 0.00 0.14 -0.03 -0.07 0.09 0.00 0.00 178.44 178.57 1upl h LEU 263 N 0.00 0.00 -3.77 1.67 3.38 -1.88 -2.89 115.31 111.83 1upl h LEU 263 Ca -0.00 0.00 -0.49 0.00 0.09 0.00 0.00 57.88 57.48 1upl h LEU 263 Cb 0.57 0.00 -0.28 0.00 0.09 0.00 0.00 40.66 41.04 1upl h LEU 263 CO 0.02 0.03 0.17 -2.11 0.09 0.00 0.00 178.44 176.64 1upl n ARG 264 N -3.59 2.63 -2.82 1.13 1.85 -0.80 -4.80 116.66 110.26 1upl n ARG 264 Ca -0.03 -3.45 -0.35 0.00 -1.00 0.00 0.00 57.85 53.03 1upl n ARG 264 Cb 0.13 -2.15 -0.07 0.00 -1.05 0.00 0.00 32.46 29.32 1upl n ARG 264 CO 0.00 0.00 0.00 0.34 -0.01 0.00 0.00 177.63 177.96 1upl s ASP 265 N -2.39 7.17 0.13 2.89 2.15 -1.09 -4.88 116.67 120.66 1upl s ASP 265 Ca 0.55 1.75 0.07 0.00 0.43 0.00 0.00 52.55 55.35 1upl s ASP 265 Cb 0.45 -2.55 0.41 0.00 -0.30 0.00 0.00 42.92 40.93 1upl s ASP 265 CO 0.02 -0.17 1.16 1.17 -0.17 0.00 0.00 175.17 177.18 1upl n LYS 266 N 0.11 0.05 -4.55 4.34 4.81 -1.26 -4.55 118.16 117.11 1upl n LYS 266 Ca 0.04 0.49 -0.33 0.00 -0.87 0.00 0.00 58.31 57.64 1upl n LYS 266 Cb 0.52 -1.77 -0.14 0.00 0.02 0.00 0.00 35.03 33.65 1upl n LYS 266 CO 0.00 0.00 0.00 0.45 1.17 0.00 0.00 177.40 179.02 1upl s SER 267 N -3.21 3.98 0.38 3.14 0.15 -1.26 -5.00 113.70 111.88 1upl s SER 267 Ca -0.01 -0.37 0.11 0.00 0.70 0.00 0.00 55.95 56.38 1upl s SER 267 Cb 0.02 -1.62 0.76 0.00 -1.71 0.00 0.00 66.02 63.47 1upl s SER 267 CO 0.07 0.11 1.88 -0.09 1.20 0.00 0.00 173.24 176.41 1upl h ARG 268 N 7.09 0.15 -0.04 5.44 2.43 -2.00 -0.46 114.38 126.99 1upl h ARG 268 Ca -0.30 -0.04 -0.11 0.00 -0.81 0.00 0.00 59.98 58.71 1upl h ARG 268 Cb 1.20 -0.02 -0.01 0.00 -0.42 0.00 0.00 29.97 30.72 1upl h ARG 268 CO 0.57 0.38 -0.49 -0.91 -1.51 0.00 0.00 179.97 178.00 1upl h ASN 269 N 0.14 0.10 -0.03 -3.80 2.35 -1.95 -2.24 115.58 110.15 1upl h ASN 269 Ca 0.02 -0.05 -0.03 0.00 -0.55 0.00 0.00 56.30 55.70 1upl h ASN 269 Cb 0.48 -0.03 0.00 0.00 0.05 0.00 0.00 38.32 38.82 1upl h ASN 269 CO 0.03 0.58 -0.09 0.40 -1.65 0.00 0.00 177.43 176.71 1upl h ILE 270 N 0.08 1.46 -0.87 2.81 1.08 -1.49 -2.69 117.51 117.89 1upl h ILE 270 Ca 0.00 -1.49 0.16 0.00 -0.39 0.00 0.00 64.86 63.14 1upl h ILE 270 Cb 0.90 2.38 -0.07 0.00 -3.07 0.00 0.00 36.82 36.97 1upl h ILE 270 CO 0.07 0.40 0.56 1.56 -0.69 0.00 0.00 178.15 180.06 1upl h GLN 271 N -0.45 0.54 -0.21 2.37 4.20 -1.25 0.11 115.11 120.43 1upl h GLN 271 Ca -0.00 -0.03 -0.09 0.00 0.06 0.00 0.00 58.65 58.58 1upl h GLN 271 Cb 0.70 -0.12 -0.00 0.00 0.30 0.00 0.00 27.48 28.36 1upl h GLN 271 CO 0.02 0.36 -0.24 0.35 -0.67 0.00 0.00 178.83 178.65 1upl h PHE 272 N 0.56 0.63 -0.35 2.96 3.57 -1.28 -0.85 116.94 122.18 1upl h PHE 272 Ca 0.44 -0.20 -0.11 0.00 3.53 0.00 0.00 57.97 61.63 1upl h PHE 272 Cb 0.87 -0.13 -0.01 0.00 2.79 0.00 0.00 35.95 39.46 1upl h PHE 272 CO -0.00 0.89 -0.24 0.93 -2.23 0.00 0.00 178.31 177.66 1upl h GLU 273 N 0.20 0.70 -0.33 1.11 4.39 -0.87 -2.82 114.58 116.96 1upl h GLU 273 Ca 0.03 -0.28 -0.05 0.00 0.34 0.00 0.00 59.36 59.40 1upl h GLU 273 Cb 0.79 -0.03 -0.02 0.00 -0.10 0.00 0.00 28.75 29.39 1upl h GLU 273 CO 0.06 0.87 -0.01 0.00 -1.16 0.00 0.00 179.01 178.77 1upl h ALA 274 N 1.12 1.36 -0.94 3.43 0.00 -0.49 -1.37 119.26 122.38 1upl h ALA 274 Ca 0.08 -0.21 0.18 0.00 0.00 0.00 0.00 54.91 54.96 1upl h ALA 274 Cb 0.73 -0.15 -0.10 0.00 0.00 0.00 0.00 17.79 18.27 1upl h ALA 274 CO 0.06 0.44 0.52 0.35 0.00 0.00 0.00 179.25 180.62 1upl h PHE 275 N 0.50 0.92 0.00 0.00 3.57 -0.90 0.19 116.94 121.21 1upl h PHE 275 Ca 0.11 0.04 -0.01 0.00 3.53 0.00 0.00 57.97 61.63 1upl h PHE 275 Cb 0.35 -0.26 -0.00 0.00 2.79 0.00 0.00 35.95 38.82 1upl h PHE 275 CO 0.01 0.19 -0.04 0.45 -2.23 0.00 0.00 178.31 176.69 1upl h HIS 276 N 0.67 0.00 0.01 0.41 3.86 -1.23 0.20 115.15 119.07 1upl h HIS 276 Ca 0.54 0.00 -0.11 0.00 -1.16 0.00 0.00 60.37 59.64 1upl h HIS 276 Cb 0.83 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 29.28 1upl h HIS 276 CO -0.05 0.04 -0.57 0.28 0.86 0.00 0.00 177.93 178.49 1upl h VAL 277 N 0.00 1.42 -1.04 2.45 2.07 -1.42 -3.36 116.25 116.37 1upl h VAL 277 Ca -0.00 -2.29 0.31 0.00 0.82 0.00 0.00 66.70 65.54 1upl h VAL 277 Cb 0.81 2.91 -0.13 0.00 -1.52 0.00 0.00 31.29 33.35 1upl h VAL 277 CO 0.01 0.50 0.62 0.15 0.02 0.00 0.00 177.57 178.87 1upl h PHE 278 N -0.95 0.87 0.00 1.57 3.57 -0.29 -0.98 116.94 120.72 1upl h PHE 278 Ca -0.15 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.38 1upl h PHE 278 Cb 1.17 -0.24 0.00 0.00 2.79 0.00 0.00 35.95 39.67 1upl h PHE 278 CO 0.20 -0.09 0.00 1.17 -2.23 0.00 0.00 178.31 177.36 1upl n LYS 279 N -4.91 0.02 -0.02 1.11 0.00 0.66 -3.08 118.16 111.94 1upl n LYS 279 Ca 0.30 0.11 -0.21 0.00 0.00 0.00 0.00 58.31 58.51 1upl n LYS 279 Cb 0.96 -1.50 -0.13 0.00 0.00 0.00 0.00 35.03 34.35 1upl n LYS 279 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.40 177.68 1upl h VAL 280 N 0.00 0.88 -0.58 3.15 2.07 -1.34 -2.58 116.25 117.85 1upl h VAL 280 Ca 0.00 -2.33 0.12 0.00 0.82 0.00 0.00 66.70 65.31 1upl h VAL 280 Cb 0.37 2.53 -0.10 0.00 -1.52 0.00 0.00 31.29 32.57 1upl h VAL 280 CO 0.00 0.67 -0.07 -0.26 0.02 0.00 0.00 177.57 177.93 1upl h PHE 281 N -0.35 -0.17 -0.20 1.57 -1.00 -1.57 -2.96 116.94 112.26 1upl h PHE 281 Ca -0.35 0.05 -0.13 0.00 2.81 0.00 0.00 57.97 60.34 1upl h PHE 281 Cb 1.74 0.16 0.00 0.00 3.61 0.00 0.00 35.95 41.46 1upl h PHE 281 CO 0.10 -0.20 -0.39 0.28 -1.61 0.00 0.00 178.31 176.49 1upl h VAL 282 N 0.06 1.33 0.00 -0.55 2.07 -1.66 -3.27 116.25 114.22 1upl h VAL 282 Ca 0.29 -1.62 0.00 0.00 0.82 0.00 0.00 66.70 66.19 1upl h VAL 282 Cb 0.46 1.85 0.00 0.00 -1.52 0.00 0.00 31.29 32.08 1upl h VAL 282 CO -0.55 0.50 0.00 0.00 0.02 0.00 0.00 177.57 177.55 1upl n ALA 283 N -2.52 1.22 -2.50 1.67 0.00 -0.97 -4.75 120.51 112.67 1upl n ALA 283 Ca -0.06 0.14 -0.43 0.00 0.00 0.00 0.00 53.44 53.09 1upl n ALA 283 Cb 0.53 -1.29 -0.02 0.00 0.00 0.00 0.00 19.45 18.67 1upl n ALA 283 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.50 178.71 1upl s ASN 284 N -3.91 7.03 0.41 0.00 2.47 -1.14 -4.90 114.94 114.90 1upl s ASN 284 Ca -0.00 1.65 0.09 0.00 0.42 0.00 0.00 52.86 55.02 1upl s ASN 284 Cb 0.06 -2.54 0.85 0.00 -1.45 0.00 0.00 41.25 38.17 1upl s ASN 284 CO 0.22 -0.67 1.98 -0.65 -3.72 0.00 0.00 177.10 174.26 1upl h PRO 285 N 7.78 0.32 -3.61 0.43 0.11 -1.93 -3.23 132.00 131.87 1upl h PRO 285 Ca -0.27 -0.05 -0.68 0.00 0.11 0.00 0.00 66.00 65.11 1upl h PRO 285 Cb 1.11 -0.06 -0.37 0.00 0.11 0.00 0.00 31.00 31.80 1upl h PRO 285 CO 0.94 0.34 -0.46 -0.80 -0.21 0.00 0.00 178.00 177.80 1upl s ASN 286 N -6.84 4.95 -0.03 -2.05 -0.87 -1.26 -5.07 114.94 103.77 1upl s ASN 286 Ca -0.06 -2.85 -0.26 0.00 -1.57 0.00 0.00 52.86 48.12 1upl s ASN 286 Cb 0.16 -1.78 -0.04 0.00 -0.02 0.00 0.00 41.25 39.57 1upl s ASN 286 CO 0.73 -0.34 0.81 -0.54 -2.57 0.00 0.00 177.10 175.19 1upl s LYS 287 N -0.05 4.49 0.84 -0.60 1.02 -1.22 -5.06 119.74 119.16 1upl s LYS 287 Ca 0.16 1.10 -0.12 0.00 0.02 0.00 0.00 55.97 57.13 1upl s LYS 287 Cb -0.22 -3.45 0.10 0.00 -0.52 0.00 0.00 37.83 33.75 1upl s LYS 287 CO -0.03 0.04 1.19 0.95 -0.92 0.00 0.00 175.35 176.59 1upl s THR 288 N 0.81 2.01 0.20 2.17 -4.23 -1.26 -4.65 115.64 110.69 1upl s THR 288 Ca 0.43 0.01 -0.12 0.00 -1.18 0.00 0.00 61.69 60.83 1upl s THR 288 Cb -0.19 -2.31 0.13 0.00 1.34 0.00 0.00 72.50 71.47 1upl s THR 288 CO 0.22 -0.00 1.71 -0.61 -0.54 0.00 0.00 174.62 175.39 1upl h GLN 289 N -1.16 0.22 -0.83 3.99 -0.00 -1.97 0.50 115.11 115.87 1upl h GLN 289 Ca -0.45 -0.01 0.06 0.00 -0.00 0.00 0.00 58.65 58.24 1upl h GLN 289 Cb 1.29 -0.05 -0.06 0.00 0.00 0.00 0.00 27.48 28.66 1upl h GLN 289 CO 0.45 0.15 0.51 -1.35 0.00 0.00 0.00 178.83 178.58 1upl h PRO 290 N 0.23 0.90 -0.35 -2.39 0.11 -1.93 -1.02 132.00 127.54 1upl h PRO 290 Ca 0.28 -0.05 -0.10 0.00 0.11 0.00 0.00 66.00 66.24 1upl h PRO 290 Cb 0.39 -0.20 -0.01 0.00 0.11 0.00 0.00 31.00 31.29 1upl h PRO 290 CO -0.37 0.59 -0.16 0.82 -0.21 0.00 0.00 178.00 178.68 1upl h ILE 291 N 0.92 1.29 -0.55 4.15 1.08 -1.33 -2.28 117.51 120.79 1upl h ILE 291 Ca 0.36 -1.27 0.10 0.00 -0.39 0.00 0.00 64.86 63.67 1upl h ILE 291 Cb 0.17 1.37 -0.08 0.00 -3.07 0.00 0.00 36.82 35.21 1upl h ILE 291 CO -0.17 0.41 0.08 0.25 -0.69 0.00 0.00 178.15 178.03 1upl h LEU 292 N 0.50 -0.07 -0.14 1.44 5.85 -0.70 -2.74 115.31 119.44 1upl h LEU 292 Ca 0.08 0.11 -0.05 0.00 0.84 0.00 0.00 57.88 58.86 1upl h LEU 292 Cb 0.69 0.17 -0.00 0.00 0.37 0.00 0.00 40.66 41.89 1upl h LEU 292 CO 0.05 -0.02 -0.10 0.44 -0.34 0.00 0.00 178.44 178.47 1upl h ASP 293 N 0.20 0.33 -0.88 1.25 3.32 -0.65 -0.40 116.42 119.60 1upl h ASP 293 Ca 0.28 -0.44 0.18 0.00 0.02 0.00 0.00 57.03 57.07 1upl h ASP 293 Cb 0.42 -0.09 -0.17 0.00 0.22 0.00 0.00 39.33 39.71 1upl h ASP 293 CO -0.40 0.71 -0.18 0.40 -1.72 0.00 0.00 179.24 178.05 1upl h ILE 294 N -0.04 0.13 -0.60 0.35 2.04 -1.40 0.55 117.51 118.54 1upl h ILE 294 Ca 0.03 -0.00 -0.06 0.00 1.00 0.00 0.00 64.86 65.82 1upl h ILE 294 Cb 0.59 0.12 -0.02 0.00 -0.74 0.00 0.00 36.82 36.77 1upl h ILE 294 CO 0.03 0.00 0.13 -0.07 0.00 0.00 0.00 178.15 178.24 1upl h LEU 295 N 0.01 0.93 -0.45 1.44 3.38 -0.81 -2.27 115.31 117.53 1upl h LEU 295 Ca 0.44 -0.24 -0.18 0.00 0.09 0.00 0.00 57.88 57.99 1upl h LEU 295 Cb 0.70 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 41.20 1upl h LEU 295 CO -0.88 0.93 -0.70 -0.07 0.09 0.00 0.00 178.44 177.81 1upl h LEU 296 N 0.89 0.44 -1.06 1.67 3.38 0.03 0.14 115.31 120.79 1upl h LEU 296 Ca 0.19 -0.28 0.06 0.00 0.09 0.00 0.00 57.88 57.94 1upl h LEU 296 Cb 0.37 -0.13 -0.06 0.00 0.09 0.00 0.00 40.66 40.93 1upl h LEU 296 CO 0.00 1.00 0.63 0.11 0.09 0.00 0.00 178.44 180.28 1upl h LYS 297 N 0.26 1.11 -0.32 1.13 1.57 0.59 -2.80 116.57 118.11 1upl h LYS 297 Ca -0.02 -0.07 0.00 0.00 -1.87 0.00 0.00 60.65 58.69 1upl h LYS 297 Cb 1.26 -0.25 0.00 0.00 0.08 0.00 0.00 32.23 33.32 1upl h LYS 297 CO 0.12 0.74 0.00 0.09 -0.57 0.00 0.00 179.45 179.82 1upl n ASN 298 N -4.48 3.71 0.00 0.86 3.02 -0.93 -4.81 115.26 112.63 1upl n ASN 298 Ca 0.14 -2.67 0.00 0.00 -0.03 0.00 0.00 54.58 52.03 1upl n ASN 298 Cb 0.17 -0.45 0.00 0.00 -0.61 0.00 0.00 39.78 38.89 1upl n ASN 298 CO 0.00 0.00 0.00 1.67 -2.62 0.00 0.00 177.26 176.31 1upl n GLN 299 N -0.06 0.00 -0.36 3.52 7.27 0.44 -0.25 117.38 127.93 1upl n GLN 299 Ca 0.19 0.46 0.04 0.00 0.07 0.00 0.00 57.00 57.76 1upl n GLN 299 Cb 0.76 -0.93 0.11 0.00 2.41 0.00 0.00 30.24 32.59 1upl n GLN 299 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 1upl n ALA 300 N -1.00 0.13 -0.30 1.69 0.00 -1.26 0.67 120.51 120.43 1upl n ALA 300 Ca 0.00 1.06 0.03 0.00 0.00 0.00 0.00 53.44 54.53 1upl n ALA 300 Cb 0.00 -0.59 0.22 0.00 0.00 0.00 0.00 19.45 19.08 1upl n ALA 300 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.50 178.37 1upl h LYS 301 N 0.00 1.04 0.39 0.00 1.57 -1.76 -2.31 116.57 115.50 1upl h LYS 301 Ca 0.44 -0.06 -0.02 0.00 -1.87 0.00 0.00 60.65 59.14 1upl h LYS 301 Cb 0.69 -0.23 0.00 0.00 0.08 0.00 0.00 32.23 32.77 1upl h LYS 301 CO -1.01 0.69 -0.19 -0.07 -0.57 0.00 0.00 179.45 178.30 1upl h LEU 302 N 1.07 -0.44 -0.51 2.94 3.38 0.34 -0.79 115.31 121.30 1upl h LEU 302 Ca 0.38 0.00 0.10 0.00 0.09 0.00 0.00 57.88 58.45 1upl h LEU 302 Cb 0.12 0.11 -0.10 0.00 0.09 0.00 0.00 40.66 40.88 1upl h LEU 302 CO -0.13 -0.30 -0.23 0.40 0.09 0.00 0.00 178.44 178.26 1upl h ILE 303 N -0.54 0.32 -0.47 1.22 2.04 -1.13 0.12 117.51 119.06 1upl h ILE 303 Ca -0.05 0.00 0.03 0.00 1.00 0.00 0.00 64.86 65.84 1upl h ILE 303 Cb 0.41 0.32 -0.04 0.00 -0.74 0.00 0.00 36.82 36.77 1upl h ILE 303 CO 0.09 0.00 0.26 -0.08 0.00 0.00 0.00 178.15 178.42 1upl h GLU 304 N -0.12 0.51 0.60 2.37 4.81 -1.36 0.33 114.58 121.72 1upl h GLU 304 Ca 0.23 -0.03 -0.02 0.00 -0.13 0.00 0.00 59.36 59.41 1upl h GLU 304 Cb 0.48 -0.11 -0.01 0.00 0.63 0.00 0.00 28.75 29.74 1upl h GLU 304 CO -0.58 0.34 -0.47 0.35 -0.73 0.00 0.00 179.01 177.92 1upl h PHE 305 N 0.52 -1.27 -0.49 0.92 3.04 -0.55 -3.26 116.94 115.84 1upl h PHE 305 Ca 0.20 -0.00 0.09 0.00 3.98 0.00 0.00 57.97 62.23 1upl h PHE 305 Cb 0.06 0.48 -0.07 0.00 2.56 0.00 0.00 35.95 38.97 1upl h PHE 305 CO -0.08 -0.66 0.07 -0.07 -2.02 0.00 0.00 178.31 175.55 1upl h LEU 306 N -1.03 -0.05 -1.05 0.59 3.38 -0.31 -1.12 115.31 115.72 1upl h LEU 306 Ca -0.08 0.10 0.00 0.00 0.09 0.00 0.00 57.88 57.99 1upl h LEU 306 Cb 0.86 0.14 0.00 0.00 0.09 0.00 0.00 40.66 41.75 1upl h LEU 306 CO 0.02 0.00 0.25 0.28 0.09 0.00 0.00 178.44 179.08 1upl h SER 307 N 0.20 0.00 0.00 -0.43 0.02 -0.99 -1.57 113.55 110.77 1upl h SER 307 Ca 0.25 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.20 1upl h SER 307 Cb 0.34 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.88 1upl h SER 307 CO -0.35 0.00 0.00 0.29 -1.14 0.00 0.00 176.83 175.63 1upl n LYS 308 N -2.15 -0.41 -2.79 3.45 5.02 -0.47 -4.97 118.16 115.84 1upl n LYS 308 Ca -0.01 -0.50 -0.43 0.00 -2.02 0.00 0.00 58.31 55.36 1upl n LYS 308 Cb 0.28 -0.89 -0.04 0.00 -0.02 0.00 0.00 35.03 34.36 1upl n LYS 308 CO 0.00 0.00 0.00 0.12 -0.52 0.00 0.00 177.40 177.00 1upl s PHE 309 N -0.09 2.79 -1.44 2.13 5.36 -0.59 -4.04 117.98 122.08 1upl s PHE 309 Ca 0.00 0.13 -0.05 0.00 -0.96 0.00 0.00 56.93 56.06 1upl s PHE 309 Cb 0.00 -4.13 0.04 0.00 -0.34 0.00 0.00 43.02 38.59 1upl s PHE 309 CO 0.00 -1.34 0.64 1.04 -1.46 0.00 0.00 175.22 174.09 1upl n GLN 310 N 7.57 -4.08 0.15 10.12 6.02 -1.26 -4.83 117.38 131.07 1upl n GLN 310 Ca 0.04 0.49 0.11 0.00 -0.01 0.00 0.00 57.00 57.63 1upl n GLN 310 Cb 0.48 -4.94 0.54 0.00 1.02 0.00 0.00 30.24 27.35 1upl n GLN 310 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 177.06 176.14 1upl n ASN 311 N -2.94 0.62 0.02 1.08 3.02 -1.26 -2.26 115.26 113.54 1upl n ASN 311 Ca -0.20 0.72 0.13 0.00 -0.03 0.00 0.00 54.58 55.20 1upl n ASN 311 Cb 0.63 -0.82 0.53 0.00 -0.61 0.00 0.00 39.78 39.50 1upl n ASN 311 CO 0.00 0.00 0.00 -0.90 -2.62 0.00 0.00 177.26 173.74 1upl n ASP 312 N -2.25 0.16 -4.53 6.41 5.68 -1.26 -4.31 116.55 116.44 1upl n ASP 312 Ca 0.00 0.52 -0.43 0.00 -0.50 0.00 0.00 54.79 54.39 1upl n ASP 312 Cb 0.13 -0.56 -0.01 0.00 -1.14 0.00 0.00 41.12 39.53 1upl n ASP 312 CO 0.00 0.00 0.00 -0.60 -1.33 0.00 0.00 177.20 175.27 1upl s ARG 313 N -3.03 3.80 -0.16 0.11 3.52 -0.96 -4.79 118.95 117.45 1upl s ARG 313 Ca 0.12 -1.76 0.03 0.00 -0.13 0.00 0.00 55.73 53.99 1upl s ARG 313 Cb 0.16 -5.29 -0.23 0.00 -1.56 0.00 0.00 34.95 28.03 1upl s ARG 313 CO 0.49 -2.07 0.21 2.41 -0.81 0.00 0.00 175.30 175.52 1upl n THR 314 N 6.10 1.61 -0.25 4.11 -1.04 -1.26 -4.32 114.28 119.23 1upl n THR 314 Ca 0.37 -0.69 -0.02 0.00 -2.04 0.00 0.00 64.05 61.67 1upl n THR 314 Cb 0.48 -1.32 0.05 0.00 -1.82 0.00 0.00 70.33 67.71 1upl n THR 314 CO 0.00 0.00 0.00 -0.33 -0.64 0.00 0.00 175.07 174.10 1upl h GLU 315 N 0.03 -0.07 -5.56 -2.82 3.07 -1.97 -3.37 114.58 103.88 1upl h GLU 315 Ca -0.46 0.00 -0.21 0.00 -0.50 0.00 0.00 59.36 58.20 1upl h GLU 315 Cb 2.02 0.02 -0.03 0.00 -0.84 0.00 0.00 28.75 29.92 1upl h GLU 315 CO 0.03 -0.05 0.54 0.34 -1.40 0.00 0.00 179.01 178.47 1upl s ASP 316 N -5.22 4.71 0.19 1.42 -1.08 -1.26 -4.81 116.67 110.62 1upl s ASP 316 Ca -0.14 -0.59 -0.12 0.00 -0.52 0.00 0.00 52.55 51.17 1upl s ASP 316 Cb 0.19 -2.56 0.17 0.00 -1.46 0.00 0.00 42.92 39.26 1upl s ASP 316 CO 0.72 -3.18 1.79 -0.08 0.52 0.00 0.00 175.17 174.93 1upl h GLU 317 N 11.52 0.51 -0.79 4.34 4.22 -1.92 -2.06 114.58 130.39 1upl h GLU 317 Ca 0.08 -0.03 0.04 0.00 0.08 0.00 0.00 59.36 59.53 1upl h GLU 317 Cb 1.00 -0.12 -0.05 0.00 0.50 0.00 0.00 28.75 30.09 1upl h GLU 317 CO 1.15 0.34 0.52 0.37 -2.18 0.00 0.00 179.01 179.21 1upl h GLN 318 N 0.53 0.93 0.13 1.92 4.15 -1.96 -0.49 115.11 120.31 1upl h GLN 318 Ca 0.25 -0.06 -0.01 0.00 0.77 0.00 0.00 58.65 59.60 1upl h GLN 318 Cb 0.17 -0.21 0.00 0.00 0.21 0.00 0.00 27.48 27.65 1upl h GLN 318 CO -0.18 0.62 -0.06 0.35 -1.93 0.00 0.00 178.83 177.63 1upl h PHE 319 N 0.96 -0.16 -0.24 3.99 3.57 -1.90 -0.22 116.94 122.95 1upl h PHE 319 Ca 0.32 -0.00 0.04 0.00 3.53 0.00 0.00 57.97 61.85 1upl h PHE 319 Cb 0.06 0.05 -0.04 0.00 2.79 0.00 0.00 35.95 38.82 1upl h PHE 319 CO -0.00 0.15 0.00 -0.91 -2.23 0.00 0.00 178.31 175.32 1upl h ASN 320 N -0.47 -0.09 -0.54 0.41 -0.26 -0.85 -1.33 115.58 112.45 1upl h ASN 320 Ca -0.02 0.05 0.09 0.00 -0.56 0.00 0.00 56.30 55.87 1upl h ASN 320 Cb 0.38 0.09 -0.07 0.00 -1.06 0.00 0.00 38.32 37.65 1upl h ASN 320 CO 0.03 -0.01 0.12 0.44 -1.06 0.00 0.00 177.43 176.95 1upl h ASP 321 N 0.08 0.03 -0.57 5.81 3.32 -1.10 -0.72 116.42 123.26 1upl h ASP 321 Ca 0.11 0.09 0.03 0.00 0.02 0.00 0.00 57.03 57.29 1upl h ASP 321 Cb 0.14 0.12 -0.04 0.00 0.22 0.00 0.00 39.33 39.77 1upl h ASP 321 CO -0.19 0.04 0.34 -0.33 -1.72 0.00 0.00 179.24 177.38 1upl h GLU 322 N 0.26 0.64 -0.32 3.56 5.08 -0.32 0.33 114.58 123.82 1upl h GLU 322 Ca 0.27 -0.04 -0.00 0.00 -1.00 0.00 0.00 59.36 58.59 1upl h GLU 322 Cb 0.37 -0.15 -0.02 0.00 0.50 0.00 0.00 28.75 29.46 1upl h GLU 322 CO -0.34 0.43 0.20 0.87 -1.00 0.00 0.00 179.01 179.16 1upl h LYS 323 N 0.66 0.44 -0.19 2.33 1.57 -0.87 0.77 116.57 121.29 1upl h LYS 323 Ca 0.24 -0.04 -0.06 0.00 -1.87 0.00 0.00 60.65 58.91 1upl h LYS 323 Cb 0.05 -0.09 -0.01 0.00 0.08 0.00 0.00 32.23 32.25 1upl h LYS 323 CO -0.11 0.33 -0.17 1.15 -0.57 0.00 0.00 179.45 180.07 1upl h THR 324 N 0.42 1.21 -0.05 -0.16 2.02 -0.44 -1.41 112.91 114.50 1upl h THR 324 Ca 0.12 -0.97 -0.06 0.00 0.77 0.00 0.00 66.41 66.26 1upl h THR 324 Cb -0.00 1.27 0.00 0.00 -1.74 0.00 0.00 68.15 67.68 1upl h THR 324 CO -0.02 0.30 -0.21 0.22 0.37 0.00 0.00 175.52 176.18 1upl h TYR 325 N 0.29 0.31 -0.76 3.16 3.20 -0.62 -3.04 116.97 119.51 1upl h TYR 325 Ca 0.05 -0.13 0.03 0.00 3.14 0.00 0.00 58.73 61.82 1upl h TYR 325 Cb 0.48 -0.05 -0.05 0.00 1.54 0.00 0.00 36.73 38.65 1upl h TYR 325 CO 0.01 0.83 0.48 -0.07 -1.64 0.00 0.00 178.16 177.78 1upl h LEU 326 N -0.30 0.79 -0.69 2.82 3.38 -0.63 0.18 115.31 120.86 1upl h LEU 326 Ca -0.01 -0.00 0.10 0.00 0.09 0.00 0.00 57.88 58.06 1upl h LEU 326 Cb 0.85 -0.17 -0.07 0.00 0.09 0.00 0.00 40.66 41.35 1upl h LEU 326 CO 0.04 0.54 0.32 0.58 0.09 0.00 0.00 178.44 180.02 1upl h VAL 327 N 0.94 0.80 0.03 1.22 2.07 -1.29 0.42 116.25 120.44 1upl h VAL 327 Ca 0.31 -0.18 -0.00 0.00 0.82 0.00 0.00 66.70 67.64 1upl h VAL 327 Cb 0.03 0.22 0.00 0.00 -1.52 0.00 0.00 31.29 30.02 1upl h VAL 327 CO -0.12 0.10 -0.02 0.50 0.02 0.00 0.00 177.57 178.06 1upl h LYS 328 N 0.53 -0.04 -0.73 1.57 3.64 -1.16 -0.04 116.57 120.34 1upl h LYS 328 Ca 0.35 0.00 0.11 0.00 -1.27 0.00 0.00 60.65 59.85 1upl h LYS 328 Cb 0.41 0.01 -0.13 0.00 -0.41 0.00 0.00 32.23 32.11 1upl h LYS 328 CO -0.30 0.39 -0.40 1.96 -2.27 0.00 0.00 179.45 178.83 1upl h GLN 329 N -0.48 -0.12 0.33 1.90 1.08 -0.38 1.59 115.11 119.02 1upl h GLN 329 Ca -0.00 0.01 -0.02 0.00 -1.45 0.00 0.00 58.65 57.19 1upl h GLN 329 Cb 0.45 0.03 0.00 0.00 -0.05 0.00 0.00 27.48 27.91 1upl h GLN 329 CO 0.01 -0.08 -0.16 0.82 -0.95 0.00 0.00 178.83 178.47 1upl h ILE 330 N -0.13 0.70 -0.90 2.54 2.04 0.19 0.34 117.51 122.29 1upl h ILE 330 Ca 0.25 -0.19 0.26 0.00 1.00 0.00 0.00 64.86 66.17 1upl h ILE 330 Cb 0.56 0.80 -0.04 0.00 -0.74 0.00 0.00 36.82 37.41 1upl h ILE 330 CO -0.79 0.04 0.74 0.03 0.00 0.00 0.00 178.15 178.17 1upl h ARG 331 N -0.54 0.00 -0.60 2.37 3.08 -0.41 -0.27 114.38 118.01 1upl h ARG 331 Ca -0.04 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.01 1upl h ARG 331 Cb 0.40 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.45 1upl h ARG 331 CO 0.07 0.00 0.00 -0.25 -1.07 0.00 0.00 179.97 178.72 1upl n ASP 332 N -3.95 3.47 -4.87 7.04 9.92 0.54 -4.88 116.55 123.82 1upl n ASP 332 Ca 0.19 -2.29 -0.36 0.00 -0.53 0.00 0.00 54.79 51.81 1upl n ASP 332 Cb 1.05 -0.47 -0.06 0.00 -0.64 0.00 0.00 41.12 41.00 1upl n ASP 332 CO 0.00 0.00 0.00 -0.76 0.13 0.00 0.00 177.20 176.57 1upl s LEU 333 N -1.41 4.39 0.00 0.64 1.43 -0.11 -4.99 118.68 118.63 1upl s LEU 333 Ca 0.36 0.68 0.00 0.00 -1.03 0.00 0.00 54.13 54.15 1upl s LEU 333 Cb 0.23 -2.65 0.00 0.00 0.03 0.00 0.00 46.19 43.80 1upl s LEU 333 CO 0.18 0.27 0.00 1.17 0.23 0.00 0.00 176.35 178.20