#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1upk n SER 11 N 0.00 0.70 0.01 4.39 3.41 -1.26 -4.80 113.62 116.07 1upk n SER 11 Ca 0.00 -1.79 -0.10 0.00 -0.26 0.00 0.00 58.87 56.72 1upk n SER 11 Cb 0.00 -0.83 -0.04 0.00 -0.26 0.00 0.00 64.21 63.08 1upk n SER 11 CO 0.00 0.00 0.00 -0.65 -0.16 0.00 0.00 175.04 174.23 1upk h PRO 12 N 0.00 -0.12 -0.94 4.33 0.11 -1.95 -0.82 132.00 132.61 1upk h PRO 12 Ca -0.38 0.01 0.12 0.00 0.11 0.00 0.00 66.00 65.86 1upk h PRO 12 Cb 1.19 0.03 -0.08 0.00 0.11 0.00 0.00 31.00 32.24 1upk h PRO 12 CO 0.32 -0.08 0.57 0.00 -0.21 0.00 0.00 178.00 178.60 1upk h ALA 13 N 0.92 1.41 -0.24 -0.75 0.00 -1.95 0.35 119.26 119.00 1upk h ALA 13 Ca 0.07 0.04 -0.05 0.00 0.00 0.00 0.00 54.91 54.97 1upk h ALA 13 Cb 0.22 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.85 1upk h ALA 13 CO -0.16 0.13 -0.03 -0.44 0.00 0.00 0.00 179.25 178.75 1upk h ASP 14 N 0.88 0.45 -0.75 0.00 3.32 -1.75 0.06 116.42 118.63 1upk h ASP 14 Ca 0.47 -0.34 0.01 0.00 0.02 0.00 0.00 57.03 57.19 1upk h ASP 14 Cb 0.51 -0.12 -0.04 0.00 0.22 0.00 0.00 39.33 39.90 1upk h ASP 14 CO -0.28 0.68 0.50 0.40 -1.72 0.00 0.00 179.24 178.82 1upk h ILE 15 N 0.21 1.19 -0.45 0.35 2.04 -0.60 0.11 117.51 120.36 1upk h ILE 15 Ca 0.07 -0.35 -0.04 0.00 1.00 0.00 0.00 64.86 65.54 1upk h ILE 15 Cb 0.47 0.08 -0.02 0.00 -0.74 0.00 0.00 36.82 36.62 1upk h ILE 15 CO 0.02 0.19 0.13 0.58 0.00 0.00 0.00 178.15 179.07 1upk h VAL 16 N 1.02 1.23 -0.48 1.67 2.07 -0.76 -0.17 116.25 120.82 1upk h VAL 16 Ca 0.28 -0.76 -0.01 0.00 0.82 0.00 0.00 66.70 67.03 1upk h VAL 16 Cb -0.12 0.87 -0.02 0.00 -1.52 0.00 0.00 31.29 30.50 1upk h VAL 16 CO -0.06 0.27 0.28 0.50 0.02 0.00 0.00 177.57 178.58 1upk h LYS 17 N 0.58 0.66 -0.59 1.57 3.64 -0.45 -0.65 116.57 121.33 1upk h LYS 17 Ca 0.14 -0.07 -0.10 0.00 -1.27 0.00 0.00 60.65 59.35 1upk h LYS 17 Cb 0.28 -0.13 -0.02 0.00 -0.41 0.00 0.00 32.23 31.95 1upk h LYS 17 CO -0.00 0.50 -0.04 -0.91 -2.27 0.00 0.00 179.45 176.73 1upk h ASN 18 N 0.64 1.05 -0.39 4.20 2.35 -0.61 -1.72 115.58 121.11 1upk h ASN 18 Ca 0.17 -0.32 -0.12 0.00 -0.55 0.00 0.00 56.30 55.49 1upk h ASN 18 Cb 0.02 -0.28 -0.01 0.00 0.05 0.00 0.00 38.32 38.09 1upk h ASN 18 CO -0.03 1.12 -0.19 0.25 -1.65 0.00 0.00 177.43 176.93 1upk h LEU 19 N 0.97 0.89 -0.95 1.61 5.85 -0.87 -1.45 115.31 121.35 1upk h LEU 19 Ca 0.16 -0.31 -0.05 0.00 0.84 0.00 0.00 57.88 58.52 1upk h LEU 19 Cb 0.60 -0.24 -0.03 0.00 0.37 0.00 0.00 40.66 41.36 1upk h LEU 19 CO 0.04 1.06 0.20 0.50 -0.34 0.00 0.00 178.44 179.89 1upk h LYS 20 N 0.77 0.96 -0.32 1.25 1.63 -0.82 -3.00 116.57 117.05 1upk h LYS 20 Ca 0.11 -0.19 -0.09 0.00 -0.85 0.00 0.00 60.65 59.63 1upk h LYS 20 Cb 0.72 -0.15 -0.01 0.00 -0.60 0.00 0.00 32.23 32.20 1upk h LYS 20 CO 0.06 0.83 -0.15 0.93 -3.45 0.00 0.00 179.45 177.66 1upk h GLU 21 N 0.93 0.67 -1.76 1.90 5.08 -1.04 -1.95 114.58 118.42 1upk h GLU 21 Ca 0.21 -0.29 0.00 0.00 -1.00 0.00 0.00 59.36 58.28 1upk h GLU 21 Cb 0.27 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.50 1upk h GLU 21 CO -0.01 0.88 0.00 0.43 -1.00 0.00 0.00 179.01 179.31 1upk n SER 22 N -4.37 1.18 0.00 1.42 7.64 -0.57 -2.07 113.62 116.85 1upk n SER 22 Ca -0.03 -0.86 0.00 0.00 1.01 0.00 0.00 58.87 58.99 1upk n SER 22 Cb 0.39 -0.22 0.00 0.00 -1.01 0.00 0.00 64.21 63.37 1upk n SER 22 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1upk n ALA 24 N 1.09 0.00 -0.09 -0.43 0.00 -0.73 -1.92 120.51 118.42 1upk n ALA 24 Ca 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 53.44 53.34 1upk n ALA 24 Cb 0.16 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.59 1upk n ALA 24 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1upk h VAL 25 N 0.00 1.18 -0.39 0.00 2.07 -1.72 -2.74 116.25 114.65 1upk h VAL 25 Ca 0.00 -0.54 0.09 0.00 0.82 0.00 0.00 66.70 67.07 1upk h VAL 25 Cb 0.00 1.00 -0.02 0.00 -1.52 0.00 0.00 31.29 30.75 1upk h VAL 25 CO 0.00 0.19 0.27 -0.07 0.02 0.00 0.00 177.57 177.97 1upk h LEU 26 N 0.32 0.12 -0.69 2.57 3.38 -1.69 0.21 115.31 119.53 1upk h LEU 26 Ca 0.10 0.00 -0.13 0.00 0.09 0.00 0.00 57.88 57.94 1upk h LEU 26 Cb 0.18 -0.02 -0.02 0.00 0.09 0.00 0.00 40.66 40.89 1upk h LEU 26 CO -0.01 0.07 -0.62 -0.33 0.09 0.00 0.00 178.44 177.64 1upk h GLU 27 N 0.13 0.00 0.00 1.13 5.08 -1.78 -3.51 114.58 115.64 1upk h GLU 27 Ca 0.18 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.54 1upk h GLU 27 Cb 0.54 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.79 1upk h GLU 27 CO -0.02 0.62 0.00 1.63 -1.00 0.00 0.00 179.01 180.24 1upk n LYS 28 N -3.70 0.00 0.00 2.33 5.02 0.06 -5.13 118.16 116.74 1upk n LYS 28 Ca -0.01 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.28 1upk n LYS 28 Cb 0.64 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.65 1upk n LYS 28 CO 0.00 0.00 0.00 -1.13 -0.52 0.00 0.00 177.40 175.75 1upk n SER 32 N 0.00 0.00 0.00 4.39 3.41 -1.26 -5.15 113.62 115.01 1upk n SER 32 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.61 1upk n SER 32 Cb 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 63.95 1upk n SER 32 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 1upk n ASP 33 N 0.00 0.00 -0.08 4.04 9.92 -1.26 -3.83 116.55 125.34 1upk n ASP 33 Ca 0.00 0.00 -0.09 0.00 -0.53 0.00 0.00 54.79 54.17 1upk n ASP 33 Cb 0.00 0.00 -0.07 0.00 -0.64 0.00 0.00 41.12 40.41 1upk n ASP 33 CO 0.00 0.00 0.00 0.50 0.13 0.00 0.00 177.20 177.83 1upk h LYS 34 N 0.00 -0.28 -0.82 -1.24 1.63 -2.05 1.54 116.57 115.35 1upk h LYS 34 Ca 0.00 0.02 -0.02 0.00 -0.85 0.00 0.00 60.65 59.80 1upk h LYS 34 Cb 0.00 0.06 -0.04 0.00 -0.60 0.00 0.00 32.23 31.66 1upk h LYS 34 CO 0.00 -0.19 0.42 0.87 -3.45 0.00 0.00 179.45 177.10 1upk h LYS 35 N -0.29 1.15 -0.27 1.90 1.57 -2.01 -2.17 116.57 116.45 1upk h LYS 35 Ca 0.04 -0.15 -0.10 0.00 -1.87 0.00 0.00 60.65 58.58 1upk h LYS 35 Cb 0.41 -0.22 -0.01 0.00 0.08 0.00 0.00 32.23 32.49 1upk h LYS 35 CO -0.38 0.86 -0.21 0.00 -0.57 0.00 0.00 179.45 179.15 1upk h ALA 36 N 1.31 0.39 -0.86 3.86 0.00 -1.57 -1.46 119.26 120.95 1upk h ALA 36 Ca 0.28 -0.36 -0.01 0.00 0.00 0.00 0.00 54.91 54.82 1upk h ALA 36 Cb 0.07 -0.09 -0.04 0.00 0.00 0.00 0.00 17.79 17.73 1upk h ALA 36 CO -0.04 0.35 0.51 1.49 0.00 0.00 0.00 179.25 181.55 1upk h GLU 37 N 0.36 1.16 -0.15 0.00 4.57 0.24 0.95 114.58 121.71 1upk h GLU 37 Ca 0.05 -0.11 -0.04 0.00 -1.18 0.00 0.00 59.36 58.08 1upk h GLU 37 Cb 0.76 -0.24 -0.00 0.00 -0.16 0.00 0.00 28.75 29.11 1upk h GLU 37 CO 0.06 0.82 -0.06 -0.22 -1.18 0.00 0.00 179.01 178.43 1upk h LYS 38 N 1.18 0.30 -0.50 1.92 1.63 -1.32 -1.51 116.57 118.28 1upk h LYS 38 Ca 0.31 -0.13 -0.04 0.00 -0.85 0.00 0.00 60.65 59.94 1upk h LYS 38 Cb -0.04 -0.01 -0.02 0.00 -0.60 0.00 0.00 32.23 31.56 1upk h LYS 38 CO -0.06 0.61 0.15 0.00 -3.45 0.00 0.00 179.45 176.71 1upk h ALA 39 N 0.68 1.33 -0.38 5.00 0.00 -0.93 0.24 119.26 125.20 1upk h ALA 39 Ca 0.03 -0.17 -0.10 0.00 0.00 0.00 0.00 54.91 54.67 1upk h ALA 39 Cb 0.52 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.09 1upk h ALA 39 CO 0.02 0.48 -0.16 1.15 0.00 0.00 0.00 179.25 180.74 1upk h THR 40 N 0.72 1.28 -0.62 0.00 2.02 -0.71 0.14 112.91 115.75 1upk h THR 40 Ca 0.17 -1.28 -0.07 0.00 0.77 0.00 0.00 66.41 65.99 1upk h THR 40 Cb 0.22 1.31 -0.02 0.00 -1.74 0.00 0.00 68.15 67.92 1upk h THR 40 CO -0.01 0.42 0.10 -0.33 0.37 0.00 0.00 175.52 176.07 1upk h GLU 41 N 0.57 1.03 -0.46 6.66 5.08 -0.81 -0.88 114.58 125.77 1upk h GLU 41 Ca 0.09 -0.28 -0.10 0.00 -1.00 0.00 0.00 59.36 58.07 1upk h GLU 41 Cb 0.70 -0.12 -0.02 0.00 0.50 0.00 0.00 28.75 29.82 1upk h GLU 41 CO 0.05 0.96 -0.12 1.49 -1.00 0.00 0.00 179.01 180.39 1upk h GLU 42 N 0.93 0.86 -0.02 2.33 4.57 -0.27 -0.95 114.58 122.03 1upk h GLU 42 Ca 0.19 -0.30 -0.00 0.00 -1.18 0.00 0.00 59.36 58.07 1upk h GLU 42 Cb 0.43 -0.06 -0.00 0.00 -0.16 0.00 0.00 28.75 28.96 1upk h GLU 42 CO 0.01 0.93 0.01 0.28 -1.18 0.00 0.00 179.01 179.06 1upk h VAL 43 N 0.77 1.10 -0.60 0.32 2.07 -0.50 -1.10 116.25 118.30 1upk h VAL 43 Ca 0.12 -0.28 0.06 0.00 0.82 0.00 0.00 66.70 67.42 1upk h VAL 43 Cb 0.63 1.26 -0.05 0.00 -1.52 0.00 0.00 31.29 31.61 1upk h VAL 43 CO 0.04 0.08 0.32 0.28 0.02 0.00 0.00 177.57 178.31 1upk h SER 44 N -0.09 0.46 -0.62 0.57 0.02 -0.90 -0.82 113.55 112.17 1upk h SER 44 Ca 0.01 0.03 -0.10 0.00 -0.84 0.00 0.00 61.79 60.89 1upk h SER 44 Cb 0.12 -0.06 -0.02 0.00 0.14 0.00 0.00 62.40 62.58 1upk h SER 44 CO -0.00 0.30 0.01 0.11 -1.14 0.00 0.00 176.83 176.12 1upk h LYS 45 N 0.60 1.08 -0.35 3.45 1.57 -1.01 -1.97 116.57 119.94 1upk h LYS 45 Ca 0.27 -0.34 -0.11 0.00 -1.87 0.00 0.00 60.65 58.60 1upk h LYS 45 Cb 0.18 -0.10 -0.01 0.00 0.08 0.00 0.00 32.23 32.37 1upk h LYS 45 CO -0.18 1.05 -0.25 -0.91 -0.57 0.00 0.00 179.45 178.59 1upk h ASN 46 N 0.99 0.72 -0.58 0.86 -0.26 -0.86 -0.92 115.58 115.53 1upk h ASN 46 Ca 0.18 -0.26 -0.09 0.00 -0.56 0.00 0.00 56.30 55.57 1upk h ASN 46 Cb 0.55 -0.20 -0.02 0.00 -1.06 0.00 0.00 38.32 37.59 1upk h ASN 46 CO 0.03 0.94 0.01 -0.07 -1.06 0.00 0.00 177.43 177.28 1upk h LEU 47 N 0.61 0.99 -0.82 1.61 3.38 -1.01 -2.65 115.31 117.43 1upk h LEU 47 Ca 0.08 -0.30 -0.06 0.00 0.09 0.00 0.00 57.88 57.69 1upk h LEU 47 Cb 0.74 -0.27 -0.03 0.00 0.09 0.00 0.00 40.66 41.20 1upk h LEU 47 CO 0.06 1.05 0.21 0.58 0.09 0.00 0.00 178.44 180.44 1upk h VAL 48 N 0.91 1.26 0.00 1.22 2.07 -1.12 -2.13 116.25 118.46 1upk h VAL 48 Ca 0.17 -0.89 0.00 0.00 0.82 0.00 0.00 66.70 66.79 1upk h VAL 48 Cb 0.54 0.48 0.00 0.00 -1.52 0.00 0.00 31.29 30.79 1upk h VAL 48 CO 0.03 0.35 0.00 0.00 0.02 0.00 0.00 177.57 177.97 1upk n ALA 49 N -2.45 1.72 0.00 1.67 0.00 -0.37 -1.95 120.51 119.12 1upk n ALA 49 Ca 0.06 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.50 1upk n ALA 49 Cb 0.23 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.68 1upk n ALA 49 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1upk n LYS 51 N 0.86 0.00 0.26 0.00 5.02 -0.80 -2.62 118.16 120.88 1upk n LYS 51 Ca 0.00 0.00 0.10 0.00 -2.02 0.00 0.00 58.31 56.39 1upk n LYS 51 Cb 0.11 0.00 0.69 0.00 -0.02 0.00 0.00 35.03 35.81 1upk n LYS 51 CO 0.00 0.00 0.00 0.93 -0.52 0.00 0.00 177.40 177.81 1upk h GLU 52 N 0.00 0.00 -0.35 1.97 5.08 -1.68 -1.05 114.58 118.55 1upk h GLU 52 Ca 0.00 0.00 -0.16 0.00 -1.00 0.00 0.00 59.36 58.20 1upk h GLU 52 Cb 0.00 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.24 1upk h GLU 52 CO 0.00 0.08 -0.40 0.82 -1.00 0.00 0.00 179.01 178.51 1upk h ILE 53 N 0.00 1.28 -0.28 3.13 2.04 -1.80 -3.23 117.51 118.65 1upk h ILE 53 Ca -0.00 -1.58 -0.09 0.00 1.00 0.00 0.00 64.86 64.18 1upk h ILE 53 Cb 0.18 1.44 -0.01 0.00 -0.74 0.00 0.00 36.82 37.68 1upk h ILE 53 CO 0.01 0.52 -0.22 -0.07 0.00 0.00 0.00 178.15 178.39 1upk h LEU 54 N 0.69 0.52 -4.93 1.44 3.38 -1.52 -3.43 115.31 111.46 1upk h LEU 54 Ca 0.05 -0.17 -0.62 0.00 0.09 0.00 0.00 57.88 57.23 1upk h LEU 54 Cb 0.98 -0.14 -0.39 0.00 0.09 0.00 0.00 40.66 41.20 1upk h LEU 54 CO 0.09 0.74 -0.39 -1.22 0.09 0.00 0.00 178.44 177.76 1upk n TYR 55 N -4.13 3.54 -0.56 1.13 4.02 -0.92 -5.07 117.16 115.16 1upk n TYR 55 Ca -0.00 -3.28 0.00 0.00 -0.01 0.00 0.00 57.90 54.61 1upk n TYR 55 Cb 0.39 -0.40 0.00 0.00 -0.02 0.00 0.00 39.34 39.31 1upk n TYR 55 CO 0.00 0.00 0.00 1.04 -1.01 0.00 0.00 176.86 176.89 1upk n GLN 63 N -0.38 0.00 0.13 -0.72 6.02 -1.26 -5.05 117.38 116.12 1upk n GLN 63 Ca 0.39 0.00 0.05 0.00 -0.01 0.00 0.00 57.00 57.43 1upk n GLN 63 Cb 0.50 -0.14 0.50 0.00 1.02 0.00 0.00 30.24 32.11 1upk n GLN 63 CO 0.00 0.00 0.00 1.79 -1.01 0.00 0.00 177.06 177.84 1upk h THR 64 N 3.14 1.09 0.00 5.09 1.35 -2.00 -0.86 112.91 120.71 1upk h THR 64 Ca 0.00 -0.29 -0.04 0.00 -0.55 0.00 0.00 66.41 65.53 1upk h THR 64 Cb 0.00 0.89 -0.01 0.00 -1.73 0.00 0.00 68.15 67.31 1upk h THR 64 CO 0.00 0.10 -0.46 -0.33 -0.25 0.00 0.00 175.52 174.59 1upk h GLU 65 N 0.25 0.00 -0.32 4.72 5.08 -2.00 -2.31 114.58 120.00 1upk h GLU 65 Ca 0.06 0.00 -0.05 0.00 -1.00 0.00 0.00 59.36 58.38 1upk h GLU 65 Cb 0.09 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.32 1upk h GLU 65 CO -0.00 0.15 0.02 0.00 -1.00 0.00 0.00 179.01 178.18 1upk h ALA 66 N 1.82 0.43 -0.43 3.43 0.00 -1.58 0.52 119.26 123.46 1upk h ALA 66 Ca -0.02 -0.22 -0.01 0.00 0.00 0.00 0.00 54.91 54.66 1upk h ALA 66 Cb 1.15 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.80 1upk h ALA 66 CO 0.02 0.17 0.22 0.28 0.00 0.00 0.00 179.25 179.94 1upk h VAL 67 N 0.37 1.17 -0.63 0.00 2.07 -1.38 0.79 116.25 118.64 1upk h VAL 67 Ca 0.09 -0.46 0.04 0.00 0.82 0.00 0.00 66.70 67.19 1upk h VAL 67 Cb 0.41 0.68 -0.04 0.00 -1.52 0.00 0.00 31.29 30.82 1upk h VAL 67 CO 0.01 0.18 0.38 0.00 0.02 0.00 0.00 177.57 178.16 1upk h ALA 68 N 1.07 0.82 -0.39 1.67 0.00 -1.05 -0.74 119.26 120.64 1upk h ALA 68 Ca 0.15 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 55.02 1upk h ALA 68 Cb 0.09 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.69 1upk h ALA 68 CO -0.02 0.10 0.14 0.37 0.00 0.00 0.00 179.25 179.84 1upk h GLN 69 N 0.73 0.60 -0.06 0.00 4.15 0.52 -2.18 115.11 118.87 1upk h GLN 69 Ca 0.26 -0.12 0.01 0.00 0.77 0.00 0.00 58.65 59.57 1upk h GLN 69 Cb 0.06 -0.09 -0.01 0.00 0.21 0.00 0.00 27.48 27.65 1upk h GLN 69 CO -0.12 0.59 -0.03 1.25 -1.93 0.00 0.00 178.83 178.59 1upk h LEU 70 N 0.49 -0.09 -0.35 -2.39 5.85 -0.40 -0.96 115.31 117.45 1upk h LEU 70 Ca 0.13 0.02 0.05 0.00 0.84 0.00 0.00 57.88 58.92 1upk h LEU 70 Cb 0.23 0.05 -0.05 0.00 0.37 0.00 0.00 40.66 41.27 1upk h LEU 70 CO -0.01 -0.04 0.07 0.00 -0.34 0.00 0.00 178.44 178.12 1upk h ALA 71 N 1.04 0.37 -0.43 1.25 0.00 -0.99 0.23 119.26 120.72 1upk h ALA 71 Ca 0.03 0.07 0.02 0.00 0.00 0.00 0.00 54.91 55.03 1upk h ALA 71 Cb 0.07 0.09 -0.03 0.00 0.00 0.00 0.00 17.79 17.92 1upk h ALA 71 CO -0.07 -0.34 0.25 0.37 0.00 0.00 0.00 179.25 179.46 1upk h GLN 72 N 0.19 0.48 -0.68 0.00 5.75 -1.15 -0.85 115.11 118.85 1upk h GLN 72 Ca 0.17 -0.03 -0.04 0.00 -0.15 0.00 0.00 58.65 58.59 1upk h GLN 72 Cb 0.19 -0.11 -0.03 0.00 1.07 0.00 0.00 27.48 28.60 1upk h GLN 72 CO -0.22 0.32 0.25 0.93 -2.65 0.00 0.00 178.83 177.46 1upk h GLU 73 N 0.50 1.02 -0.84 1.69 4.39 -0.66 -0.98 114.58 119.69 1upk h GLU 73 Ca 0.17 -0.18 -0.03 0.00 0.34 0.00 0.00 59.36 59.66 1upk h GLU 73 Cb 0.03 -0.17 -0.04 0.00 -0.10 0.00 0.00 28.75 28.47 1upk h GLU 73 CO -0.09 0.84 0.42 -0.07 -1.16 0.00 0.00 179.01 178.96 1upk h LEU 74 N 0.99 1.08 0.08 1.33 3.38 0.26 -1.50 115.31 120.93 1upk h LEU 74 Ca 0.23 -0.12 -0.00 0.00 0.09 0.00 0.00 57.88 58.07 1upk h LEU 74 Cb 0.22 -0.28 0.00 0.00 0.09 0.00 0.00 40.66 40.69 1upk h LEU 74 CO -0.02 0.90 -0.04 1.88 0.09 0.00 0.00 178.44 181.26 1upk h TYR 75 N 1.19 -0.10 -0.91 1.13 0.05 -0.76 -3.20 116.97 114.38 1upk h TYR 75 Ca 0.29 -0.00 0.04 0.00 0.05 0.00 0.00 58.73 59.11 1upk h TYR 75 Cb 0.09 0.03 -0.06 0.00 1.01 0.00 0.00 36.73 37.81 1upk h TYR 75 CO 0.01 0.43 0.58 -0.91 -1.05 0.00 0.00 178.16 177.23 1upk h ASN 76 N -0.72 0.95 1.96 3.88 2.35 -1.16 -2.92 115.58 119.92 1upk h ASN 76 Ca -0.01 0.00 -0.00 0.00 -0.55 0.00 0.00 56.30 55.74 1upk h ASN 76 Cb 0.57 -0.21 -0.00 0.00 0.05 0.00 0.00 38.32 38.74 1upk h ASN 76 CO 0.02 0.64 -0.04 0.77 -1.65 0.00 0.00 177.43 177.17 1upk h SER 77 N 1.11 0.00 0.00 5.81 4.64 -1.41 -3.47 113.55 120.23 1upk h SER 77 Ca 0.37 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.69 1upk h SER 77 Cb 0.06 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.15 1upk h SER 77 CO -0.14 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 176.44 1upk n GLY 78 N 1.10 0.78 0.36 -0.77 0.00 -1.10 -4.95 105.19 100.61 1upk n GLY 78 Ca 0.04 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 46.03 1upk n GLY 78 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1upk h LEU 79 N 0.00 1.05 -0.47 0.99 5.85 -1.83 -1.33 115.31 119.57 1upk h LEU 79 Ca 0.00 -0.07 0.07 0.00 0.84 0.00 0.00 57.88 58.72 1upk h LEU 79 Cb 0.00 -0.27 -0.06 0.00 0.37 0.00 0.00 40.66 40.71 1upk h LEU 79 CO 0.00 0.82 0.14 -0.07 -0.34 0.00 0.00 178.44 178.99 1upk h LEU 80 N 1.20 0.11 -0.56 2.25 3.38 -1.92 0.13 115.31 119.91 1upk h LEU 80 Ca 0.31 0.07 -0.04 0.00 0.09 0.00 0.00 57.88 58.31 1upk h LEU 80 Cb -0.02 0.07 -0.02 0.00 0.09 0.00 0.00 40.66 40.77 1upk h LEU 80 CO -0.06 0.09 0.20 -1.28 0.09 0.00 0.00 178.44 177.49 1upk h SER 81 N 0.30 0.79 -0.72 -0.43 0.87 -1.75 -2.83 113.55 109.78 1upk h SER 81 Ca 0.23 -0.19 -0.01 0.00 -1.23 0.00 0.00 61.79 60.60 1upk h SER 81 Cb 0.26 -0.20 -0.03 0.00 -0.44 0.00 0.00 62.40 61.98 1upk h SER 81 CO -0.26 0.76 0.41 0.74 -0.53 0.00 0.00 176.83 177.95 1upk h THR 82 N 0.77 1.21 -0.74 2.23 2.02 -0.34 -0.03 112.91 118.03 1upk h THR 82 Ca 0.18 -0.51 0.02 0.00 0.77 0.00 0.00 66.41 66.87 1upk h THR 82 Cb 0.23 0.24 -0.04 0.00 -1.74 0.00 0.00 68.15 66.85 1upk h THR 82 CO -0.01 0.23 0.49 -0.07 0.37 0.00 0.00 175.52 176.53 1upk h LEU 83 N 0.99 0.83 -0.04 2.58 3.38 -0.61 0.28 115.31 122.73 1upk h LEU 83 Ca 0.26 -0.02 -0.05 0.00 0.09 0.00 0.00 57.88 58.16 1upk h LEU 83 Cb 0.01 -0.20 0.00 0.00 0.09 0.00 0.00 40.66 40.56 1upk h LEU 83 CO -0.04 0.59 -0.16 0.58 0.09 0.00 0.00 178.44 179.50 1upk h VAL 84 N 0.97 1.48 -0.71 1.22 2.07 -1.18 -2.68 116.25 117.41 1upk h VAL 84 Ca 0.28 -1.63 0.02 0.00 0.82 0.00 0.00 66.70 66.18 1upk h VAL 84 Cb -0.07 2.45 -0.04 0.00 -1.52 0.00 0.00 31.29 32.12 1upk h VAL 84 CO -0.07 0.45 0.47 0.00 0.02 0.00 0.00 177.57 178.44 1upk h ALA 85 N 0.39 1.54 -0.59 1.67 0.00 -0.59 -2.76 119.26 118.91 1upk h ALA 85 Ca -0.01 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.86 1upk h ALA 85 Cb 0.81 -0.27 0.00 0.00 0.00 0.00 0.00 17.79 18.34 1upk h ALA 85 CO 0.03 0.41 0.00 -0.25 0.00 0.00 0.00 179.25 179.44 1upk n ASP 86 N -4.44 5.35 -0.14 0.00 8.00 0.96 -4.63 116.55 121.65 1upk n ASP 86 Ca 0.08 -2.76 0.07 0.00 0.71 0.00 0.00 54.79 52.90 1upk n ASP 86 Cb 0.08 -0.65 0.40 0.00 -0.02 0.00 0.00 41.12 40.92 1upk n ASP 86 CO 0.00 0.00 0.00 0.25 -0.39 0.00 0.00 177.20 177.06 1upk h LEU 87 N 3.95 0.57 -2.59 0.64 5.85 -1.17 0.13 115.31 122.69 1upk h LEU 87 Ca 0.00 0.00 -0.00 0.00 0.84 0.00 0.00 57.88 58.72 1upk h LEU 87 Cb 1.79 -0.12 -0.00 0.00 0.37 0.00 0.00 40.66 42.70 1upk h LEU 87 CO 0.40 0.37 -0.01 1.56 -0.34 0.00 0.00 178.44 180.42 1upk h GLN 88 N 0.65 0.00 0.00 1.25 1.08 -1.85 -2.38 115.11 113.86 1upk h GLN 88 Ca 0.28 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.48 1upk h GLN 88 Cb 0.29 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.72 1upk h GLN 88 CO -0.09 0.01 -0.46 -0.07 -0.95 0.00 0.00 178.83 177.27 1upk h LEU 89 N 0.00 0.00 -9.91 1.46 3.38 -1.33 -3.47 115.31 105.44 1upk h LEU 89 Ca -0.00 -0.08 -0.50 0.00 0.09 0.00 0.00 57.88 57.38 1upk h LEU 89 Cb 0.11 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 40.83 1upk h LEU 89 CO 0.00 0.04 0.12 -0.63 0.09 0.00 0.00 178.44 178.07 1upk s ILE 90 N -3.21 4.58 0.98 1.22 1.01 -0.90 -5.06 121.20 119.83 1upk s ILE 90 Ca 0.06 1.21 -0.11 0.00 0.00 0.00 0.00 60.65 61.81 1upk s ILE 90 Cb 0.11 -3.78 0.18 0.00 0.01 0.00 0.00 42.46 38.98 1upk s ILE 90 CO 0.70 0.06 1.09 1.51 0.00 0.00 0.00 174.94 178.30 1upk s ASP 91 N -1.87 2.52 0.15 3.58 1.47 -1.26 -4.60 116.67 116.66 1upk s ASP 91 Ca 0.48 1.78 -0.29 0.00 1.18 0.00 0.00 52.55 55.70 1upk s ASP 91 Cb -0.14 -2.38 -0.04 0.00 -0.34 0.00 0.00 42.92 40.01 1upk s ASP 91 CO 0.20 -3.28 1.56 0.15 0.68 0.00 0.00 175.17 174.48 1upk h PHE 92 N -1.99 -1.43 -0.17 2.11 3.57 -1.97 0.12 116.94 117.18 1upk h PHE 92 Ca -0.51 0.07 -0.12 0.00 3.53 0.00 0.00 57.97 60.95 1upk h PHE 92 Cb 1.29 0.68 -0.01 0.00 2.79 0.00 0.00 35.95 40.70 1upk h PHE 92 CO 0.41 -0.46 -0.42 0.93 -2.23 0.00 0.00 178.31 176.54 1upk h GLU 93 N -0.35 0.40 -0.93 1.11 4.39 -2.01 -3.04 114.58 114.15 1upk h GLU 93 Ca 0.12 -0.20 -0.00 0.00 0.34 0.00 0.00 59.36 59.61 1upk h GLU 93 Cb 0.59 0.00 -0.05 0.00 -0.10 0.00 0.00 28.75 29.20 1upk h GLU 93 CO -0.59 0.75 0.57 0.78 -1.16 0.00 0.00 179.01 179.36 1upk h GLY 94 N 1.16 1.35 0.96 -3.84 0.00 -1.66 -1.23 103.07 99.81 1upk h GLY 94 Ca 0.03 -0.55 0.02 0.00 0.00 0.00 0.00 47.33 46.82 1upk h GLY 94 CO 0.07 0.54 0.64 0.50 0.00 0.00 0.00 176.54 178.29 1upk h LYS 95 N 1.28 1.25 -0.13 4.80 1.57 -0.67 -0.72 116.57 123.95 1upk h LYS 95 Ca 0.34 -0.08 -0.11 0.00 -1.87 0.00 0.00 60.65 58.93 1upk h LYS 95 Cb -0.07 -0.28 -0.01 0.00 0.08 0.00 0.00 32.23 31.95 1upk h LYS 95 CO -0.06 0.83 -0.39 0.87 -0.57 0.00 0.00 179.45 180.13 1upk h LYS 96 N 1.29 0.28 -0.51 3.15 1.57 -1.43 -2.17 116.57 118.74 1upk h LYS 96 Ca 0.37 -0.13 -0.11 0.00 -1.87 0.00 0.00 60.65 58.91 1upk h LYS 96 Cb -0.10 -0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.19 1upk h LYS 96 CO -0.09 0.63 -0.12 -0.44 -0.57 0.00 0.00 179.45 178.86 1upk h ASP 97 N 0.24 0.99 -0.33 0.86 3.32 -0.52 0.40 116.42 121.37 1upk h ASP 97 Ca 0.02 -0.36 0.03 0.00 0.02 0.00 0.00 57.03 56.74 1upk h ASP 97 Cb 0.79 -0.27 -0.03 0.00 0.22 0.00 0.00 39.33 40.04 1upk h ASP 97 CO 0.06 1.12 0.15 0.58 -1.72 0.00 0.00 179.24 179.44 1upk h VAL 98 N 0.85 0.96 -0.11 -1.35 2.07 -0.91 0.38 116.25 118.15 1upk h VAL 98 Ca 0.13 -0.11 0.01 0.00 0.82 0.00 0.00 66.70 67.56 1upk h VAL 98 Cb 0.68 0.61 -0.01 0.00 -1.52 0.00 0.00 31.29 31.05 1upk h VAL 98 CO 0.05 0.06 0.01 0.00 0.02 0.00 0.00 177.57 177.71 1upk h ALA 99 N 1.18 0.10 -0.96 1.67 0.00 -1.14 0.14 119.26 120.25 1upk h ALA 99 Ca 0.14 0.02 0.01 0.00 0.00 0.00 0.00 54.91 55.09 1upk h ALA 99 Cb 0.07 0.03 -0.05 0.00 0.00 0.00 0.00 17.79 17.85 1upk h ALA 99 CO -0.11 -0.45 0.64 0.37 0.00 0.00 0.00 179.25 179.70 1upk h GLN 100 N 0.05 1.26 -0.20 0.00 4.15 -0.65 0.13 115.11 119.85 1upk h GLN 100 Ca 0.05 -0.08 -0.07 0.00 0.77 0.00 0.00 58.65 59.32 1upk h GLN 100 Cb 0.05 -0.28 -0.00 0.00 0.21 0.00 0.00 27.48 27.45 1upk h GLN 100 CO -0.07 0.83 -0.16 0.82 -1.93 0.00 0.00 178.83 178.32 1upk h ILE 101 N 1.29 1.32 -0.45 2.39 2.04 -0.56 -2.08 117.51 121.46 1upk h ILE 101 Ca 0.36 -1.29 0.02 0.00 1.00 0.00 0.00 64.86 64.95 1upk h ILE 101 Cb -0.13 1.73 -0.03 0.00 -0.74 0.00 0.00 36.82 37.65 1upk h ILE 101 CO -0.08 0.39 0.26 0.15 0.00 0.00 0.00 178.15 178.87 1upk h PHE 102 N 0.13 0.48 -0.38 1.37 3.04 -0.49 -0.12 116.94 120.97 1upk h PHE 102 Ca 0.04 0.02 -0.06 0.00 3.98 0.00 0.00 57.97 61.94 1upk h PHE 102 Cb 0.69 -0.15 -0.02 0.00 2.56 0.00 0.00 35.95 39.03 1upk h PHE 102 CO 0.08 0.27 -0.02 -0.91 -2.02 0.00 0.00 178.31 175.71 1upk h ASN 103 N 0.52 0.59 -0.07 0.41 2.35 -0.66 0.12 115.58 118.83 1upk h ASN 103 Ca 0.18 -0.13 -0.04 0.00 -0.55 0.00 0.00 56.30 55.77 1upk h ASN 103 Cb 0.04 -0.15 -0.00 0.00 0.05 0.00 0.00 38.32 38.25 1upk h ASN 103 CO -0.10 0.67 -0.11 -1.13 -1.65 0.00 0.00 177.43 175.11 1upk h ASN 104 N 0.58 0.21 -0.19 5.81 -0.73 -1.00 -3.26 115.58 117.00 1upk h ASN 104 Ca 0.12 -0.54 -0.05 0.00 1.87 0.00 0.00 56.30 57.70 1upk h ASN 104 Cb 0.40 -0.06 -0.02 0.00 0.27 0.00 0.00 38.32 38.91 1upk h ASN 104 CO 0.02 0.71 -0.02 0.40 -0.37 0.00 0.00 177.43 178.17 1upk h ILE 105 N -0.28 1.19 -0.71 2.57 1.08 -0.80 -2.31 117.51 118.25 1upk h ILE 105 Ca 0.01 -0.79 0.11 0.00 -0.39 0.00 0.00 64.86 63.80 1upk h ILE 105 Cb 0.67 0.99 -0.05 0.00 -3.07 0.00 0.00 36.82 35.36 1upk h ILE 105 CO 0.03 0.27 0.47 0.25 -0.69 0.00 0.00 178.15 178.47 1upk h LEU 106 N 0.46 0.47 -1.04 1.44 5.85 -1.01 -1.88 115.31 119.59 1upk h LEU 106 Ca 0.10 0.02 0.00 0.00 0.84 0.00 0.00 57.88 58.84 1upk h LEU 106 Cb 0.34 -0.08 0.00 0.00 0.37 0.00 0.00 40.66 41.29 1upk h LEU 106 CO 0.01 0.27 0.00 0.54 -0.34 0.00 0.00 178.44 178.92 1upk n ARG 107 N -4.49 1.68 -1.70 1.25 1.74 -0.87 -4.46 116.66 109.82 1upk n ARG 107 Ca 0.12 -1.03 -0.43 0.00 -0.77 0.00 0.00 57.85 55.74 1upk n ARG 107 Cb 0.41 -1.35 -0.02 0.00 -1.02 0.00 0.00 32.46 30.48 1upk n ARG 107 CO 0.00 0.00 0.00 -2.13 -1.52 0.00 0.00 177.63 173.98 1upk n ARG 108 N 0.27 2.26 -4.65 5.56 0.63 -0.71 -5.00 116.66 115.02 1upk n ARG 108 Ca 0.15 0.80 -0.24 0.00 -0.92 0.00 0.00 57.85 57.64 1upk n ARG 108 Cb 0.30 -2.47 -0.14 0.00 0.45 0.00 0.00 32.46 30.60 1upk n ARG 108 CO 0.00 0.00 0.00 -0.65 -2.51 0.00 0.00 177.63 174.47 1upk s GLN 109 N -1.00 1.29 -0.33 -0.14 -0.21 -1.26 -3.98 119.66 114.02 1upk s GLN 109 Ca 0.62 -0.76 -0.00 0.00 0.02 0.00 0.00 55.36 55.24 1upk s GLN 109 Cb -0.58 -1.31 0.11 0.00 1.00 0.00 0.00 33.01 32.23 1upk s GLN 109 CO 0.54 0.34 0.12 0.42 -2.12 0.00 0.00 175.29 174.60 1upk s ILE 110 N -0.65 0.95 0.00 1.08 1.01 -0.27 -5.00 121.20 118.33 1upk s ILE 110 Ca 0.06 -1.59 0.00 0.00 0.00 0.00 0.00 60.65 59.12 1upk s ILE 110 Cb -0.08 -1.71 0.00 0.00 0.01 0.00 0.00 42.46 40.68 1upk s ILE 110 CO 0.01 -0.72 0.00 0.61 0.00 0.00 0.00 174.94 174.84 1upk n GLY 111 N 4.63 3.50 0.01 6.18 0.00 -1.26 -1.27 105.19 116.98 1upk n GLY 111 Ca 0.00 -0.09 0.11 0.00 0.00 0.00 0.00 46.02 46.04 1upk n GLY 111 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 1upk n THR 112 N 0.00 0.06 -2.84 2.61 5.66 -1.26 -4.96 114.28 113.55 1upk n THR 112 Ca 0.00 -0.09 -0.32 0.00 -3.05 0.00 0.00 64.05 60.59 1upk n THR 112 Cb 0.00 0.46 -0.05 0.00 -1.55 0.00 0.00 70.33 69.18 1upk n THR 112 CO 0.00 0.00 0.00 -0.13 -3.05 0.00 0.00 175.07 171.89 1upk s ARG 113 N -3.08 4.02 -0.56 1.09 0.52 -0.40 -5.03 118.95 115.52 1upk s ARG 113 Ca 0.07 0.83 0.04 0.00 -0.52 0.00 0.00 55.73 56.15 1upk s ARG 113 Cb 0.16 -2.29 0.14 0.00 0.52 0.00 0.00 34.95 33.49 1upk s ARG 113 CO 0.79 -0.02 0.33 0.95 0.02 0.00 0.00 175.30 177.36 1upk s THR 114 N -2.25 2.38 0.41 0.02 -4.23 -1.26 -1.11 115.64 109.60 1upk s THR 114 Ca 0.57 -3.44 0.17 0.00 -1.18 0.00 0.00 61.69 57.81 1upk s THR 114 Cb -0.10 -2.63 0.38 0.00 1.34 0.00 0.00 72.50 71.49 1upk s THR 114 CO 0.21 -0.89 1.86 -0.65 -0.54 0.00 0.00 174.62 174.61 1upk h PRO 115 N 6.18 0.41 -0.10 3.99 0.11 -1.91 -1.66 132.00 139.02 1upk h PRO 115 Ca 0.01 -0.02 -0.12 0.00 0.11 0.00 0.00 66.00 65.97 1upk h PRO 115 Cb 0.86 -0.09 -0.01 0.00 0.11 0.00 0.00 31.00 31.86 1upk h PRO 115 CO 0.65 0.27 -0.48 1.15 -0.21 0.00 0.00 178.00 179.38 1upk h THR 116 N 0.42 1.34 -0.23 -1.15 2.02 -1.81 0.78 112.91 114.29 1upk h THR 116 Ca 0.47 -1.70 -0.09 0.00 0.77 0.00 0.00 66.41 65.86 1upk h THR 116 Cb 1.14 1.80 -0.00 0.00 -1.74 0.00 0.00 68.15 69.35 1upk h THR 116 CO -0.18 0.51 -0.21 0.58 0.37 0.00 0.00 175.52 176.59 1upk h VAL 117 N 0.21 1.32 -0.93 3.16 2.07 -1.53 -0.02 116.25 120.52 1upk h VAL 117 Ca 0.01 -1.36 -0.01 0.00 0.82 0.00 0.00 66.70 66.16 1upk h VAL 117 Cb 0.93 1.69 -0.04 0.00 -1.52 0.00 0.00 31.29 32.35 1upk h VAL 117 CO 0.08 0.42 0.54 -0.33 0.02 0.00 0.00 177.57 178.29 1upk h GLU 118 N 0.24 1.27 0.18 1.57 5.08 -1.24 -1.59 114.58 120.09 1upk h GLU 118 Ca 0.04 -0.13 -0.00 0.00 -1.00 0.00 0.00 59.36 58.27 1upk h GLU 118 Cb 0.75 -0.26 -0.01 0.00 0.50 0.00 0.00 28.75 29.74 1upk h GLU 118 CO 0.05 0.91 -0.12 -0.92 -1.00 0.00 0.00 179.01 177.92 1upk h TYR 119 N 1.29 -0.32 0.00 4.33 3.20 -0.55 -2.48 116.97 122.43 1upk h TYR 119 Ca 0.33 -0.00 -0.02 0.00 3.14 0.00 0.00 58.73 62.18 1upk h TYR 119 Cb -0.02 0.12 -0.00 0.00 1.54 0.00 0.00 36.73 38.37 1upk h TYR 119 CO 0.01 -0.20 -0.11 0.82 -1.64 0.00 0.00 178.16 177.05 1upk h ILE 120 N -0.31 0.96 0.00 1.81 2.04 -0.64 -0.86 117.51 120.51 1upk h ILE 120 Ca -0.01 -0.38 -0.02 0.00 1.00 0.00 0.00 64.86 65.45 1upk h ILE 120 Cb 0.26 1.21 -0.00 0.00 -0.74 0.00 0.00 36.82 37.55 1upk h ILE 120 CO 0.00 0.10 -0.07 0.00 0.00 0.00 0.00 178.15 178.19 1upk n THR 122 N -3.58 0.77 -2.80 0.00 -2.24 -0.38 -4.42 114.28 101.62 1upk n THR 122 Ca -0.02 -0.89 -0.13 0.00 -2.27 0.00 0.00 64.05 60.75 1upk n THR 122 Cb 0.19 0.70 0.01 0.00 -2.10 0.00 0.00 70.33 69.12 1upk n THR 122 CO 0.00 0.00 0.00 1.67 -0.57 0.00 0.00 175.07 176.17 1upk n GLN 123 N 1.02 1.25 0.21 -0.78 -0.06 -0.47 -4.96 117.38 113.59 1upk n GLN 123 Ca 0.16 -3.38 0.15 0.00 -2.00 0.00 0.00 57.00 51.93 1upk n GLN 123 Cb 0.50 -1.44 0.73 0.00 -4.06 0.00 0.00 30.24 25.97 1upk n GLN 123 CO 0.00 0.00 0.00 1.96 -0.20 0.00 0.00 177.06 178.82 1upk h GLN 124 N 2.98 0.00 0.00 3.69 4.20 -1.67 -1.71 115.11 122.60 1upk h GLN 124 Ca -0.02 0.00 -0.00 0.00 0.06 0.00 0.00 58.65 58.69 1upk h GLN 124 Cb 1.10 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 28.88 1upk h GLN 124 CO 0.52 0.00 -0.02 -0.97 -0.67 0.00 0.00 178.83 177.70 1upk h ASN 125 N 0.00 0.00 -0.73 1.46 -1.24 -1.93 -0.97 115.58 112.18 1upk h ASN 125 Ca 0.00 0.00 -0.01 0.00 0.71 0.00 0.00 56.30 57.00 1upk h ASN 125 Cb 0.16 0.00 -0.04 0.00 0.73 0.00 0.00 38.32 39.17 1upk h ASN 125 CO 0.00 0.02 0.43 0.40 -1.29 0.00 0.00 177.43 176.99 1upk h ILE 126 N 0.00 1.21 -0.37 2.57 2.04 -1.66 -2.84 117.51 118.47 1upk h ILE 126 Ca -0.00 -0.48 -0.12 0.00 1.00 0.00 0.00 64.86 65.25 1upk h ILE 126 Cb 0.24 0.21 -0.01 0.00 -0.74 0.00 0.00 36.82 36.52 1upk h ILE 126 CO 0.00 0.22 -0.25 -0.07 0.00 0.00 0.00 178.15 178.06 1upk h LEU 127 N 1.00 0.86 -1.82 1.44 3.38 -1.38 -0.82 115.31 117.97 1upk h LEU 127 Ca 0.26 -0.43 0.00 0.00 0.09 0.00 0.00 57.88 57.80 1upk h LEU 127 Cb -0.02 -0.24 0.00 0.00 0.09 0.00 0.00 40.66 40.50 1upk h LEU 127 CO -0.05 1.10 0.00 0.49 0.09 0.00 0.00 178.44 180.08 1upk n PHE 128 N -4.22 0.00 0.00 1.13 3.72 -1.02 -1.10 117.46 115.97 1upk n PHE 128 Ca -0.02 -0.14 0.00 0.00 -0.05 0.00 0.00 57.45 57.24 1upk n PHE 128 Cb 0.46 -0.13 0.00 0.00 -0.94 0.00 0.00 39.48 38.87 1upk n PHE 128 CO 0.00 0.00 0.00 1.28 -0.05 0.00 0.00 176.76 177.99 1upk n LEU 130 N 0.74 0.00 -0.12 4.37 4.77 -0.31 -1.73 117.00 124.72 1upk n LEU 130 Ca 0.00 0.00 -0.08 0.00 -0.03 0.00 0.00 56.01 55.90 1upk n LEU 130 Cb 0.15 0.00 0.01 0.00 -2.33 0.00 0.00 43.42 41.25 1upk n LEU 130 CO 0.00 0.00 1.01 -0.07 -1.33 0.00 0.00 177.39 177.00 1upk h LEU 131 N 0.00 0.37 -2.24 2.23 3.38 -1.37 -2.04 115.31 115.64 1upk h LEU 131 Ca 0.00 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.96 1upk h LEU 131 Cb 0.00 -0.08 -0.00 0.00 0.09 0.00 0.00 40.66 40.67 1upk h LEU 131 CO 0.00 0.27 -0.05 0.50 0.09 0.00 0.00 178.44 179.24 1upk h LYS 132 N 0.46 0.00 -0.00 1.13 1.63 -1.60 -2.07 116.57 116.13 1upk h LYS 132 Ca 0.15 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.95 1upk h LYS 132 Cb -0.00 0.00 -0.00 0.00 -0.60 0.00 0.00 32.23 31.63 1upk h LYS 132 CO -0.06 0.05 0.00 0.78 -3.45 0.00 0.00 179.45 176.77 1upk h GLY 133 N 0.36 0.00 2.00 5.01 0.00 -1.63 -0.19 103.07 108.62 1upk h GLY 133 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1upk h GLY 133 CO 0.01 0.00 0.00 -0.97 0.00 0.00 0.00 176.54 175.58 1upk h TYR 134 N 0.00 0.00 -0.01 5.60 -1.99 -1.46 -1.71 116.97 117.41 1upk h TYR 134 Ca 0.00 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.73 1upk h TYR 134 Cb 0.01 0.00 0.00 0.00 2.00 0.00 0.00 36.73 38.74 1upk h TYR 134 CO 0.00 0.00 -0.02 0.39 -0.00 0.00 0.00 178.16 178.53 1upk n GLU 135 N -2.93 1.34 -3.99 4.88 1.02 -0.08 -4.68 120.64 116.19 1upk n GLU 135 Ca -0.02 -0.59 -0.33 0.00 -0.02 0.00 0.00 57.16 56.19 1upk n GLU 135 Cb 0.09 -1.49 -0.14 0.00 -0.02 0.00 0.00 31.44 29.88 1upk n GLU 135 CO 0.00 0.00 0.00 -1.12 1.18 0.00 0.00 177.13 177.19 1upk s SER 136 N -2.06 4.63 0.37 1.62 0.01 -0.65 -5.02 113.70 112.60 1upk s SER 136 Ca 0.40 -1.31 0.16 0.00 1.31 0.00 0.00 55.95 56.50 1upk s SER 136 Cb 0.21 -1.63 1.05 0.00 0.21 0.00 0.00 66.02 65.86 1upk s SER 136 CO 0.37 -0.22 1.73 -0.65 0.41 0.00 0.00 173.24 174.88 1upk h PRO 137 N 7.88 0.42 0.00 12.44 0.11 -1.83 0.39 132.00 151.41 1upk h PRO 137 Ca -0.21 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.88 1upk h PRO 137 Cb 1.05 -0.09 0.00 0.00 0.11 0.00 0.00 31.00 32.07 1upk h PRO 137 CO 0.50 0.27 -0.04 0.39 -0.21 0.00 0.00 178.00 178.91 1upk n GLU 138 N -4.78 0.03 0.00 1.05 1.02 -1.26 -3.88 120.64 112.82 1upk n GLU 138 Ca 0.28 0.02 0.00 0.00 -0.02 0.00 0.00 57.16 57.44 1upk n GLU 138 Cb 0.89 -1.53 0.00 0.00 -0.02 0.00 0.00 31.44 30.78 1upk n GLU 138 CO 0.00 0.00 0.00 0.44 1.18 0.00 0.00 177.13 178.75 1upk n ILE 139 N -1.59 0.00 -0.24 -3.67 -5.35 -0.58 -4.86 119.36 103.07 1upk n ILE 139 Ca 0.07 -0.38 -0.00 0.00 -0.27 0.00 0.00 62.75 62.17 1upk n ILE 139 Cb 0.35 0.99 0.07 0.00 -1.74 0.00 0.00 39.64 39.31 1upk n ILE 139 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1upk h ALA 140 N 0.00 0.36 -0.34 -1.28 0.00 -0.92 -0.62 119.26 116.46 1upk h ALA 140 Ca 0.00 0.26 -0.08 0.00 0.00 0.00 0.00 54.91 55.09 1upk h ALA 140 Cb 0.00 0.61 -0.02 0.00 0.00 0.00 0.00 17.79 18.38 1upk h ALA 140 CO 0.00 -0.47 -0.12 -0.07 0.00 0.00 0.00 179.25 178.59 1upk h LEU 141 N -0.04 0.58 -0.65 0.00 3.38 -1.87 0.39 115.31 117.11 1upk h LEU 141 Ca 0.32 -0.16 -0.13 0.00 0.09 0.00 0.00 57.88 58.00 1upk h LEU 141 Cb 0.54 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 41.12 1upk h LEU 141 CO -0.74 0.74 -0.39 0.78 0.09 0.00 0.00 178.44 178.92 1upk h ASN 142 N 0.55 0.65 -0.57 -0.43 2.35 -1.66 -1.01 115.58 115.45 1upk h ASN 142 Ca 0.10 -0.29 -0.03 0.00 -0.55 0.00 0.00 56.30 55.53 1upk h ASN 142 Cb 0.53 -0.18 -0.03 0.00 0.05 0.00 0.00 38.32 38.70 1upk h ASN 142 CO 0.03 0.97 0.24 0.00 -1.65 0.00 0.00 177.43 177.02 1upk h GLY 144 N 0.79 0.59 -0.66 0.00 0.00 -0.56 0.31 103.07 103.53 1upk h GLY 144 Ca 0.19 -0.14 0.00 0.00 0.00 0.00 0.00 47.33 47.38 1upk h GLY 144 CO -0.02 0.09 0.00 1.39 0.00 0.00 0.00 176.54 178.01 1upk n ILE 145 N -4.92 0.00 0.00 2.60 5.41 -0.42 -0.44 119.36 121.59 1upk n ILE 145 Ca 0.03 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.78 1upk n ILE 145 Cb 0.12 -0.17 0.00 0.00 -0.71 0.00 0.00 39.64 38.88 1upk n ILE 145 CO 0.00 0.00 0.00 0.18 0.00 0.00 0.00 176.55 176.73 1upk n LEU 147 N 0.14 0.00 0.13 1.39 4.77 0.11 -2.02 117.00 121.52 1upk n LEU 147 Ca 0.00 0.00 0.03 0.00 -0.03 0.00 0.00 56.01 56.01 1upk n LEU 147 Cb 0.00 0.00 0.41 0.00 -2.33 0.00 0.00 43.42 41.50 1upk n LEU 147 CO 0.00 0.00 0.91 0.03 -1.33 0.00 0.00 177.39 177.00 1upk h ARG 148 N 0.00 0.22 -0.39 3.23 3.08 -0.99 -0.02 114.38 119.51 1upk h ARG 148 Ca 0.00 -0.05 -0.15 0.00 0.07 0.00 0.00 59.98 59.86 1upk h ARG 148 Cb 0.00 -0.03 -0.01 0.00 0.08 0.00 0.00 29.97 30.01 1upk h ARG 148 CO 0.00 0.34 -0.33 0.93 -1.07 0.00 0.00 179.97 179.85 1upk h GLU 149 N 0.21 0.90 -0.45 0.04 4.39 -1.65 -3.14 114.58 114.88 1upk h GLU 149 Ca 0.04 -0.46 0.04 0.00 0.34 0.00 0.00 59.36 59.33 1upk h GLU 149 Cb 0.34 0.01 -0.04 0.00 -0.10 0.00 0.00 28.75 28.96 1upk h GLU 149 CO 0.02 1.11 0.21 0.00 -1.16 0.00 0.00 179.01 179.18 1upk h ILE 151 N 0.41 0.29 0.00 0.00 1.08 -0.99 -0.55 117.51 117.75 1upk h ILE 151 Ca 0.20 0.00 -0.01 0.00 -0.39 0.00 0.00 64.86 64.66 1upk h ILE 151 Cb 0.14 0.70 -0.00 0.00 -3.07 0.00 0.00 36.82 34.59 1upk h ILE 151 CO -0.16 0.00 -0.03 0.03 -0.69 0.00 0.00 178.15 177.29 1upk h ARG 152 N 0.00 0.00 -4.85 2.37 3.08 -1.41 -3.41 114.38 110.16 1upk h ARG 152 Ca 0.12 0.00 -0.65 0.00 0.07 0.00 0.00 59.98 59.52 1upk h ARG 152 Cb 0.81 0.00 -0.18 0.00 0.08 0.00 0.00 29.97 30.69 1upk h ARG 152 CO -0.00 0.03 -0.51 -1.01 -1.07 0.00 0.00 179.97 177.41 1upk s HIS 153 N -4.28 3.22 0.36 3.04 3.76 -0.21 -4.99 115.29 116.18 1upk s HIS 153 Ca -0.04 0.02 0.12 0.00 -0.15 0.00 0.00 55.06 55.00 1upk s HIS 153 Cb 0.13 -2.41 0.90 0.00 1.11 0.00 0.00 32.58 32.32 1upk s HIS 153 CO 0.51 -0.22 1.82 1.49 -0.85 0.00 0.00 174.74 177.49 1upk h GLU 154 N 8.40 0.58 -0.10 1.40 4.22 -1.85 -1.09 114.58 126.14 1upk h GLU 154 Ca -0.34 -0.04 -0.08 0.00 0.08 0.00 0.00 59.36 58.98 1upk h GLU 154 Cb 1.18 -0.13 -0.01 0.00 0.50 0.00 0.00 28.75 30.29 1upk h GLU 154 CO 0.57 0.39 -0.31 -1.35 -2.18 0.00 0.00 179.01 176.13 1upk h PRO 155 N 0.60 0.19 0.18 0.92 0.11 -1.94 -1.01 132.00 131.06 1upk h PRO 155 Ca 0.52 -0.07 -0.31 0.00 0.11 0.00 0.00 66.00 66.25 1upk h PRO 155 Cb 1.02 -0.01 0.03 0.00 0.11 0.00 0.00 31.00 32.14 1upk h PRO 155 CO -0.27 0.49 -1.35 -0.07 -0.21 0.00 0.00 178.00 176.59 1upk h LEU 156 N 0.17 0.74 -0.80 2.35 3.38 -1.50 -2.49 115.31 117.16 1upk h LEU 156 Ca 0.02 -0.76 0.02 0.00 0.09 0.00 0.00 57.88 57.25 1upk h LEU 156 Cb 0.63 -0.24 -0.04 0.00 0.09 0.00 0.00 40.66 41.10 1upk h LEU 156 CO 0.05 1.58 0.52 0.00 0.09 0.00 0.00 178.44 180.68 1upk h ALA 157 N 0.32 1.03 -0.34 1.53 0.00 -1.08 -2.15 119.26 118.57 1upk h ALA 157 Ca -0.20 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.66 1upk h ALA 157 Cb 2.04 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 19.51 1upk h ALA 157 CO 0.25 0.39 0.21 -0.22 0.00 0.00 0.00 179.25 179.88 1upk h LYS 158 N 1.05 0.46 -0.40 0.00 3.64 -1.14 0.14 116.57 120.33 1upk h LYS 158 Ca 0.30 -0.04 0.02 0.00 -1.27 0.00 0.00 60.65 59.67 1upk h LYS 158 Cb -0.07 -0.10 -0.03 0.00 -0.41 0.00 0.00 32.23 31.62 1upk h LYS 158 CO -0.08 0.33 0.22 0.82 -2.27 0.00 0.00 179.45 178.47 1upk h ILE 159 N 0.45 1.02 -0.18 2.00 2.04 -1.22 -1.07 117.51 120.55 1upk h ILE 159 Ca 0.12 -0.15 -0.03 0.00 1.00 0.00 0.00 64.86 65.80 1upk h ILE 159 Cb -0.01 0.53 -0.01 0.00 -0.74 0.00 0.00 36.82 36.59 1upk h ILE 159 CO -0.02 0.08 0.01 0.40 0.00 0.00 0.00 178.15 178.62 1upk h ILE 160 N 0.45 1.24 -0.72 -0.67 2.04 -1.08 -2.73 117.51 116.05 1upk h ILE 160 Ca 0.16 -0.81 -0.02 0.00 1.00 0.00 0.00 64.86 65.19 1upk h ILE 160 Cb 0.03 1.42 -0.03 0.00 -0.74 0.00 0.00 36.82 37.50 1upk h ILE 160 CO -0.09 0.25 0.35 0.25 0.00 0.00 0.00 178.15 178.91 1upk h LEU 161 N 0.08 0.91 0.00 1.44 5.85 -0.50 -2.44 115.31 120.66 1upk h LEU 161 Ca 0.05 -0.10 0.00 0.00 0.84 0.00 0.00 57.88 58.68 1upk h LEU 161 Cb 0.36 -0.23 0.00 0.00 0.37 0.00 0.00 40.66 41.16 1upk h LEU 161 CO 0.01 0.77 -0.03 0.79 -0.34 0.00 0.00 178.44 179.63 1upk n TRP 162 N -4.34 0.11 -2.42 1.25 8.01 -0.43 -4.79 117.44 114.85 1upk n TRP 162 Ca 0.07 0.03 -0.33 0.00 -1.31 0.00 0.00 57.50 55.97 1upk n TRP 162 Cb 0.13 -0.54 -0.03 0.00 -2.01 0.00 0.00 31.31 28.86 1upk n TRP 162 CO 0.00 0.00 0.00 -1.54 -1.01 0.00 0.00 177.69 175.14 1upk s SER 163 N -3.19 6.49 0.45 -0.99 1.04 -0.92 -4.94 113.70 111.64 1upk s SER 163 Ca 0.13 1.68 0.16 0.00 0.48 0.00 0.00 55.95 58.40 1upk s SER 163 Cb 0.18 -2.52 1.03 0.00 0.10 0.00 0.00 66.02 64.81 1upk s SER 163 CO 0.55 -0.68 1.98 -0.33 0.98 0.00 0.00 173.24 175.74 1upk h GLU 164 N 1.07 0.00 0.00 4.02 4.39 -1.90 -1.06 114.58 121.10 1upk h GLU 164 Ca -0.47 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.23 1upk h GLU 164 Cb 1.19 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.84 1upk h GLU 164 CO 0.60 0.20 0.00 1.96 -1.16 0.00 0.00 179.01 180.62 1upk h GLN 165 N 0.00 0.00 -0.86 2.33 4.20 -1.92 -2.11 115.11 116.76 1upk h GLN 165 Ca -0.00 0.00 0.06 0.00 0.06 0.00 0.00 58.65 58.77 1upk h GLN 165 Cb 0.38 0.00 -0.05 0.00 0.30 0.00 0.00 27.48 28.10 1upk h GLN 165 CO 0.03 0.00 0.56 0.35 -0.67 0.00 0.00 178.83 179.09 1upk h PHE 166 N 0.00 0.97 0.00 2.96 3.57 -1.33 0.47 116.94 123.58 1upk h PHE 166 Ca 0.00 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.52 1upk h PHE 166 Cb 0.27 -0.32 0.00 0.00 2.79 0.00 0.00 35.95 38.69 1upk h PHE 166 CO 0.00 0.52 0.00 0.66 -2.23 0.00 0.00 178.31 177.26 1upk n TYR 167 N -4.48 0.70 0.26 0.41 4.01 -0.79 -1.48 117.16 115.79 1upk n TYR 167 Ca 0.13 0.32 0.14 0.00 -0.16 0.00 0.00 57.90 58.32 1upk n TYR 167 Cb 0.20 -1.01 0.69 0.00 -0.31 0.00 0.00 39.34 38.91 1upk n TYR 167 CO 0.00 0.00 0.00 -0.44 -0.46 0.00 0.00 176.86 175.96 1upk h ASP 168 N 0.00 0.00 0.08 7.72 3.32 -1.04 -2.16 116.42 124.35 1upk h ASP 168 Ca 0.00 0.00 -0.01 0.00 0.02 0.00 0.00 57.03 57.04 1upk h ASP 168 Cb 0.18 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 39.73 1upk h ASP 168 CO 0.00 0.12 -0.05 -0.26 -1.72 0.00 0.00 179.24 177.33 1upk h PHE 169 N 0.00 0.00 0.00 4.55 0.04 -1.38 -0.26 116.94 119.89 1upk h PHE 169 Ca -0.00 0.00 -0.07 0.00 2.80 0.00 0.00 57.97 60.69 1upk h PHE 169 Cb 0.46 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.60 1upk h PHE 169 CO 0.00 0.05 -0.36 0.74 -0.60 0.00 0.00 178.31 178.14 1upk h PHE 170 N 0.00 0.00 0.15 -0.55 0.04 -1.58 -0.55 116.94 114.45 1upk h PHE 170 Ca -0.00 0.00 -0.22 0.00 2.80 0.00 0.00 57.97 60.55 1upk h PHE 170 Cb 0.10 0.00 0.02 0.00 2.20 0.00 0.00 35.95 38.27 1upk h PHE 170 CO 0.00 0.36 -0.99 -0.09 -0.60 0.00 0.00 178.31 176.99 1upk h ARG 171 N 0.00 0.31 -0.68 1.51 2.43 -1.24 -3.33 114.38 113.39 1upk h ARG 171 Ca -0.00 -0.54 0.01 0.00 -0.81 0.00 0.00 59.98 58.64 1upk h ARG 171 Cb 0.70 0.20 -0.04 0.00 -0.42 0.00 0.00 29.97 30.42 1upk h ARG 171 CO 0.05 1.26 0.44 1.88 -1.51 0.00 0.00 179.97 182.08 1upk h TYR 172 N -0.31 0.83 0.00 2.20 0.05 -0.80 -1.72 116.97 117.21 1upk h TYR 172 Ca -0.18 0.02 0.00 0.00 0.05 0.00 0.00 58.73 58.62 1upk h TYR 172 Cb 1.72 -0.28 0.00 0.00 1.01 0.00 0.00 36.73 39.18 1upk h TYR 172 CO 0.18 0.51 0.00 1.33 -1.05 0.00 0.00 178.16 179.13 1upk n VAL 173 N -4.64 0.99 -3.45 -2.88 0.24 -0.24 -4.20 118.33 104.15 1upk n VAL 173 Ca 0.06 0.25 -0.43 0.00 -2.04 0.00 0.00 64.34 62.18 1upk n VAL 173 Cb 0.04 -1.03 -0.03 0.00 -1.47 0.00 0.00 33.84 31.34 1upk n VAL 173 CO 0.00 0.00 0.00 -1.61 -2.14 0.00 0.00 176.83 173.08 1upk s GLU 174 N -3.05 3.55 -0.02 7.34 0.41 -0.65 -4.83 118.70 121.45 1upk s GLU 174 Ca 0.07 -2.84 0.10 0.00 -0.41 0.00 0.00 54.97 51.89 1upk s GLU 174 Cb 0.09 -4.27 -0.15 0.00 -1.78 0.00 0.00 34.13 28.03 1upk s GLU 174 CO 0.28 -1.25 0.20 -1.13 -0.49 0.00 0.00 175.26 172.87 1upk n SER 176 N 3.23 2.71 -4.46 -0.19 3.41 -1.26 -5.04 113.62 112.03 1upk n SER 176 Ca 0.17 0.00 -0.43 0.00 -0.26 0.00 0.00 58.87 58.35 1upk n SER 176 Cb 0.41 1.38 -0.03 0.00 -0.26 0.00 0.00 64.21 65.71 1upk n SER 176 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 175.04 175.30 1upk s THR 177 N -2.65 4.42 0.45 6.66 -4.23 -1.26 -4.90 115.64 114.14 1upk s THR 177 Ca -0.04 -0.73 0.14 0.00 -1.18 0.00 0.00 61.69 59.88 1upk s THR 177 Cb 0.06 -4.73 0.32 0.00 1.34 0.00 0.00 72.50 69.49 1upk s THR 177 CO 0.41 -1.49 2.02 -0.26 -0.54 0.00 0.00 174.62 174.76 1upk h PHE 178 N 9.37 0.34 -0.43 3.99 0.04 -1.98 -1.28 116.94 126.99 1upk h PHE 178 Ca -0.14 0.01 -0.08 0.00 2.80 0.00 0.00 57.97 60.56 1upk h PHE 178 Cb 1.05 -0.11 -0.01 0.00 2.20 0.00 0.00 35.95 39.08 1upk h PHE 178 CO 1.04 0.18 -0.04 0.38 -0.60 0.00 0.00 178.31 179.27 1upk h ASP 179 N 0.33 0.77 -0.36 2.17 2.03 -1.99 0.72 116.42 120.09 1upk h ASP 179 Ca 0.21 -0.33 -0.15 0.00 -0.73 0.00 0.00 57.03 56.04 1upk h ASP 179 Cb 0.41 -0.21 -0.01 0.00 -0.83 0.00 0.00 39.33 38.69 1upk h ASP 179 CO -0.05 0.92 -0.34 0.40 -1.03 0.00 0.00 179.24 179.13 1upk h ILE 180 N 0.61 1.28 -0.80 4.15 1.08 -1.87 -1.40 117.51 120.56 1upk h ILE 180 Ca 0.12 -1.52 0.04 0.00 -0.39 0.00 0.00 64.86 63.11 1upk h ILE 180 Cb 0.54 1.42 -0.05 0.00 -3.07 0.00 0.00 36.82 35.66 1upk h ILE 180 CO 0.03 0.50 0.50 0.00 -0.69 0.00 0.00 178.15 178.49 1upk h ALA 181 N 0.76 1.06 -0.63 1.87 0.00 -1.06 0.72 119.26 121.99 1upk h ALA 181 Ca 0.06 -0.02 -0.07 0.00 0.00 0.00 0.00 54.91 54.88 1upk h ALA 181 Cb 0.93 -0.24 -0.03 0.00 0.00 0.00 0.00 17.79 18.46 1upk h ALA 181 CO 0.09 0.27 0.11 1.03 0.00 0.00 0.00 179.25 180.74 1upk h SER 182 N 0.94 0.97 -0.40 0.00 0.87 -0.64 -0.39 113.55 114.90 1upk h SER 182 Ca 0.33 -0.22 -0.08 0.00 -1.23 0.00 0.00 61.79 60.60 1upk h SER 182 Cb 0.08 -0.26 -0.01 0.00 -0.44 0.00 0.00 62.40 61.77 1upk h SER 182 CO -0.14 0.96 -0.05 -0.78 -0.53 0.00 0.00 176.83 176.29 1upk h ASP 183 N 0.96 0.74 -0.75 6.23 3.58 -0.63 -1.57 116.42 124.98 1upk h ASP 183 Ca 0.19 -0.34 -0.01 0.00 0.42 0.00 0.00 57.03 57.29 1upk h ASP 183 Cb 0.41 -0.20 -0.04 0.00 1.72 0.00 0.00 39.33 41.22 1upk h ASP 183 CO 0.01 0.91 0.43 0.00 -2.88 0.00 0.00 179.24 177.71 1upk h ALA 184 N 0.86 1.32 -0.68 -0.78 0.00 -0.64 -2.31 119.26 117.03 1upk h ALA 184 Ca 0.11 -0.11 -0.03 0.00 0.00 0.00 0.00 54.91 54.88 1upk h ALA 184 Cb 0.56 -0.31 -0.03 0.00 0.00 0.00 0.00 17.79 18.01 1upk h ALA 184 CO 0.03 0.56 0.31 0.35 0.00 0.00 0.00 179.25 180.51 1upk h PHE 185 N 1.06 0.99 -0.92 0.00 3.04 -0.69 0.23 116.94 120.64 1upk h PHE 185 Ca 0.27 -0.05 0.02 0.00 3.98 0.00 0.00 57.97 62.19 1upk h PHE 185 Cb 0.00 -0.30 -0.05 0.00 2.56 0.00 0.00 35.95 38.16 1upk h PHE 185 CO 0.01 0.75 0.61 0.00 -2.02 0.00 0.00 178.31 177.65 1upk h ALA 186 N 1.15 1.37 -0.14 2.41 0.00 -0.77 0.22 119.26 123.50 1upk h ALA 186 Ca 0.23 -0.06 -0.03 0.00 0.00 0.00 0.00 54.91 55.06 1upk h ALA 186 Cb 0.14 -0.35 -0.00 0.00 0.00 0.00 0.00 17.79 17.57 1upk h ALA 186 CO -0.03 0.56 -0.03 1.15 0.00 0.00 0.00 179.25 180.91 1upk h THR 187 N 1.21 1.28 -0.05 0.00 2.02 -0.96 -1.53 112.91 114.88 1upk h THR 187 Ca 0.35 -0.95 0.03 0.00 0.77 0.00 0.00 66.41 66.61 1upk h THR 187 Cb -0.07 1.63 -0.04 0.00 -1.74 0.00 0.00 68.15 67.93 1upk h THR 187 CO -0.09 0.28 -0.20 0.15 0.37 0.00 0.00 175.52 176.03 1upk h PHE 188 N -0.03 -0.51 -0.94 3.16 3.57 -0.68 -0.60 116.94 120.90 1upk h PHE 188 Ca 0.04 0.02 0.02 0.00 3.53 0.00 0.00 57.97 61.57 1upk h PHE 188 Cb 0.44 0.24 -0.05 0.00 2.79 0.00 0.00 35.95 39.37 1upk h PHE 188 CO 0.05 -0.28 0.62 -0.22 -2.23 0.00 0.00 178.31 176.26 1upk h LYS 189 N -0.29 1.22 -0.12 1.11 3.64 -0.50 -2.22 116.57 119.42 1upk h LYS 189 Ca 0.07 -0.07 -0.00 0.00 -1.27 0.00 0.00 60.65 59.38 1upk h LYS 189 Cb 0.39 -0.28 -0.01 0.00 -0.41 0.00 0.00 32.23 31.93 1upk h LYS 189 CO -0.22 0.81 0.07 0.22 -2.27 0.00 0.00 179.45 178.06 1upk h ASP 190 N 1.26 0.14 -0.93 4.20 1.82 -0.87 -1.34 116.42 120.69 1upk h ASP 190 Ca 0.35 -0.04 0.11 0.00 -0.39 0.00 0.00 57.03 57.06 1upk h ASP 190 Cb -0.11 -0.04 -0.08 0.00 0.68 0.00 0.00 39.33 39.78 1upk h ASP 190 CO -0.09 0.14 0.57 -0.07 -1.61 0.00 0.00 179.24 178.18 1upk h LEU 191 N 0.12 0.82 0.00 2.28 3.38 -0.74 0.16 115.31 121.33 1upk h LEU 191 Ca 0.04 0.05 0.00 0.00 0.09 0.00 0.00 57.88 58.06 1upk h LEU 191 Cb 0.03 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 40.67 1upk h LEU 191 CO -0.01 0.44 -0.08 0.18 0.09 0.00 0.00 178.44 179.06 1upk n LEU 192 N -4.67 0.70 0.00 1.67 4.77 -0.87 -4.36 117.00 114.24 1upk n LEU 192 Ca 0.17 0.52 0.00 0.00 -0.03 0.00 0.00 56.01 56.67 1upk n LEU 192 Cb 0.33 -0.32 0.00 0.00 -2.33 0.00 0.00 43.42 41.10 1upk n LEU 192 CO 0.27 -0.14 -0.29 0.35 -1.33 0.00 0.00 177.39 176.25 1upk n THR 193 N -2.14 0.00 0.10 -5.08 -2.24 -0.54 -4.83 114.28 99.55 1upk n THR 193 Ca 0.05 -0.10 -0.12 0.00 -2.27 0.00 0.00 64.05 61.62 1upk n THR 193 Cb 0.42 0.54 -0.08 0.00 -2.10 0.00 0.00 70.33 69.11 1upk n THR 193 CO 0.00 0.00 0.00 -0.09 -0.57 0.00 0.00 175.07 174.41 1upk h ARG 194 N 0.00 -0.30 -4.06 -0.78 2.43 -1.18 -3.39 114.38 107.09 1upk h ARG 194 Ca 0.00 0.02 -0.76 0.00 -0.81 0.00 0.00 59.98 58.43 1upk h ARG 194 Cb 0.00 0.07 -0.24 0.00 -0.42 0.00 0.00 29.97 29.38 1upk h ARG 194 CO 0.00 0.07 -0.18 -1.01 -1.51 0.00 0.00 179.97 177.33 1upk s HIS 195 N -3.88 3.32 0.14 2.20 3.76 -1.26 -4.97 115.29 114.59 1upk s HIS 195 Ca -0.13 -1.39 -0.18 0.00 -0.15 0.00 0.00 55.06 53.21 1upk s HIS 195 Cb 0.01 -3.80 -0.01 0.00 1.11 0.00 0.00 32.58 29.89 1upk s HIS 195 CO 0.48 -1.02 1.76 0.87 -0.85 0.00 0.00 174.74 175.99 1upk h LYS 196 N 8.75 0.26 -0.40 1.40 1.79 -1.93 0.16 116.57 126.59 1upk h LYS 196 Ca -0.25 -0.02 -0.06 0.00 -2.18 0.00 0.00 60.65 58.15 1upk h LYS 196 Cb 1.09 -0.06 -0.01 0.00 -1.58 0.00 0.00 32.23 31.67 1upk h LYS 196 CO 1.00 0.17 0.03 -0.07 -1.08 0.00 0.00 179.45 179.50 1upk h LEU 197 N 0.26 0.67 -0.21 2.94 3.38 -1.95 -0.52 115.31 119.89 1upk h LEU 197 Ca 0.11 -0.29 -0.00 0.00 0.09 0.00 0.00 57.88 57.79 1upk h LEU 197 Cb 0.04 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 40.60 1upk h LEU 197 CO -0.08 0.79 0.13 0.25 0.09 0.00 0.00 178.44 179.62 1upk h LEU 198 N 0.52 0.25 -0.57 1.67 5.85 -1.96 -0.52 115.31 120.56 1upk h LEU 198 Ca 0.12 -0.05 -0.06 0.00 0.84 0.00 0.00 57.88 58.72 1upk h LEU 198 Cb 0.44 -0.06 -0.02 0.00 0.37 0.00 0.00 40.66 41.38 1upk h LEU 198 CO 0.02 0.23 0.12 0.28 -0.34 0.00 0.00 178.44 178.74 1upk h SER 199 N 0.25 0.88 -0.90 1.25 0.02 -0.87 -1.11 113.55 113.07 1upk h SER 199 Ca 0.07 -0.24 0.00 0.00 -0.84 0.00 0.00 61.79 60.78 1upk h SER 199 Cb 0.02 -0.23 -0.04 0.00 0.14 0.00 0.00 62.40 62.29 1upk h SER 199 CO -0.01 0.90 0.57 0.00 -1.14 0.00 0.00 176.83 177.15 1upk h ALA 200 N 1.01 1.31 -0.34 3.77 0.00 -0.89 -0.18 119.26 123.95 1upk h ALA 200 Ca 0.18 -0.08 -0.15 0.00 0.00 0.00 0.00 54.91 54.86 1upk h ALA 200 Cb 0.37 -0.36 -0.01 0.00 0.00 0.00 0.00 17.79 17.79 1upk h ALA 200 CO 0.01 0.62 -0.38 1.49 0.00 0.00 0.00 179.25 180.98 1upk h GLU 201 N 1.23 0.79 0.09 0.00 4.81 -0.78 -2.40 114.58 118.33 1upk h GLU 201 Ca 0.33 -0.40 -0.00 0.00 -0.13 0.00 0.00 59.36 59.15 1upk h GLU 201 Cb -0.10 0.01 0.00 0.00 0.63 0.00 0.00 28.75 29.29 1upk h GLU 201 CO -0.07 1.03 -0.04 0.35 -0.73 0.00 0.00 179.01 179.55 1upk h PHE 202 N 0.65 -0.11 -1.00 0.92 3.57 -0.58 -2.32 116.94 118.07 1upk h PHE 202 Ca 0.06 -0.00 0.06 0.00 3.53 0.00 0.00 57.97 61.62 1upk h PHE 202 Cb 0.93 0.04 -0.07 0.00 2.79 0.00 0.00 35.95 39.65 1upk h PHE 202 CO 0.05 0.14 0.65 -0.07 -2.23 0.00 0.00 178.31 176.85 1upk h LEU 203 N -0.36 1.05 -0.27 0.59 3.38 -1.05 -0.58 115.31 118.08 1upk h LEU 203 Ca -0.01 0.01 -0.04 0.00 0.09 0.00 0.00 57.88 57.92 1upk h LEU 203 Cb 0.30 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 40.82 1upk h LEU 203 CO 0.02 0.68 0.01 -0.33 0.09 0.00 0.00 178.44 178.91 1upk h GLU 204 N 1.19 0.46 0.00 1.13 5.08 -1.38 -0.93 114.58 120.14 1upk h GLU 204 Ca 0.43 -0.14 -0.07 0.00 -1.00 0.00 0.00 59.36 58.58 1upk h GLU 204 Cb 0.14 -0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.34 1upk h GLU 204 CO -0.17 0.62 -0.31 1.96 -1.00 0.00 0.00 179.01 180.11 1upk h GLN 205 N 0.25 0.00 -0.09 2.33 4.20 -1.02 -3.23 115.11 117.56 1upk h GLN 205 Ca 0.08 0.00 -0.09 0.00 0.06 0.00 0.00 58.65 58.69 1upk h GLN 205 Cb 0.40 0.00 -0.12 0.00 0.30 0.00 0.00 27.48 28.06 1upk h GLN 205 CO 0.01 0.31 -0.64 0.72 -0.67 0.00 0.00 178.83 178.57 1upk n HIS 206 N -3.57 0.31 -0.04 2.96 8.25 -0.26 -4.90 115.22 117.97 1upk n HIS 206 Ca -0.01 -1.42 -0.13 0.00 -0.26 0.00 0.00 57.72 55.90 1upk n HIS 206 Cb 0.45 -0.24 -0.08 0.00 1.12 0.00 0.00 29.99 31.24 1upk n HIS 206 CO 0.00 0.00 0.00 -0.92 0.64 0.00 0.00 176.34 176.06 1upk h TYR 207 N 1.16 -1.44 -0.24 4.41 5.03 -1.18 -1.11 116.97 123.59 1upk h TYR 207 Ca -0.00 0.06 0.04 0.00 2.58 0.00 0.00 58.73 61.40 1upk h TYR 207 Cb 1.21 0.66 -0.03 0.00 1.55 0.00 0.00 36.73 40.12 1upk h TYR 207 CO 0.67 -0.50 0.03 -0.44 -1.32 0.00 0.00 178.16 176.59 1upk h ASP 208 N -0.50 -0.03 -0.42 -2.11 3.32 -1.90 -0.76 116.42 114.03 1upk h ASP 208 Ca 0.07 0.04 -0.10 0.00 0.02 0.00 0.00 57.03 57.06 1upk h ASP 208 Cb 0.64 0.07 -0.01 0.00 0.22 0.00 0.00 39.33 40.25 1upk h ASP 208 CO -0.46 0.02 -0.14 -0.09 -1.72 0.00 0.00 179.24 176.85 1upk h ARG 209 N 0.12 0.83 0.22 3.56 2.43 -1.94 -1.65 114.38 117.95 1upk h ARG 209 Ca 0.11 -0.34 -0.01 0.00 -0.81 0.00 0.00 59.98 58.94 1upk h ARG 209 Cb 0.13 -0.04 0.00 0.00 -0.42 0.00 0.00 29.97 29.64 1upk h ARG 209 CO -0.17 0.97 -0.11 0.35 -1.51 0.00 0.00 179.97 179.51 1upk h PHE 210 N 0.66 -0.27 0.00 2.20 3.57 -0.99 -2.20 116.94 119.90 1upk h PHE 210 Ca 0.10 -0.01 -0.04 0.00 3.53 0.00 0.00 57.97 61.56 1upk h PHE 210 Cb 0.68 0.09 -0.01 0.00 2.79 0.00 0.00 35.95 39.51 1upk h PHE 210 CO 0.05 -0.07 -0.17 0.74 -2.23 0.00 0.00 178.31 176.63 1upk h PHE 211 N -0.43 0.00 -0.46 0.41 0.04 -1.19 0.50 116.94 115.82 1upk h PHE 211 Ca -0.03 0.00 -0.05 0.00 2.80 0.00 0.00 57.97 60.69 1upk h PHE 211 Cb 0.33 0.00 -0.02 0.00 2.20 0.00 0.00 35.95 38.46 1upk h PHE 211 CO -0.02 0.17 0.10 1.03 -0.60 0.00 0.00 178.31 178.98 1upk h SER 212 N 0.00 0.71 -0.31 2.17 0.87 -1.16 0.09 113.55 115.92 1upk h SER 212 Ca -0.00 -0.24 -0.16 0.00 -1.23 0.00 0.00 61.79 60.15 1upk h SER 212 Cb 0.62 -0.19 -0.00 0.00 -0.44 0.00 0.00 62.40 62.39 1upk h SER 212 CO 0.02 0.77 -0.44 -0.33 -0.53 0.00 0.00 176.83 176.33 1upk h GLU 213 N 0.62 0.85 -0.53 2.24 4.39 -0.75 -3.22 114.58 118.18 1upk h GLU 213 Ca 0.14 -0.49 -0.05 0.00 0.34 0.00 0.00 59.36 59.29 1upk h GLU 213 Cb 0.35 0.04 -0.02 0.00 -0.10 0.00 0.00 28.75 29.01 1upk h GLU 213 CO 0.00 1.13 0.11 -0.92 -1.16 0.00 0.00 179.01 178.17 1upk h TYR 214 N 0.63 0.85 -0.87 4.33 5.03 -0.74 -1.98 116.97 124.22 1upk h TYR 214 Ca 0.03 -0.08 0.12 0.00 2.58 0.00 0.00 58.73 61.38 1upk h TYR 214 Cb 1.03 -0.25 -0.07 0.00 1.55 0.00 0.00 36.73 39.00 1upk h TYR 214 CO 0.07 0.73 0.56 1.49 -1.32 0.00 0.00 178.16 179.69 1upk h GLU 215 N 0.79 0.72 -0.08 1.82 4.22 -0.98 0.14 114.58 121.21 1upk h GLU 215 Ca 0.17 -0.04 -0.08 0.00 0.08 0.00 0.00 59.36 59.49 1upk h GLU 215 Cb 0.32 -0.16 -0.01 0.00 0.50 0.00 0.00 28.75 29.39 1upk h GLU 215 CO 0.00 0.48 -0.32 0.87 -2.18 0.00 0.00 179.01 177.86 1upk h LYS 216 N 0.75 0.16 -0.17 1.92 1.57 -1.42 -2.14 116.57 117.24 1upk h LYS 216 Ca 0.42 -0.06 -0.06 0.00 -1.87 0.00 0.00 60.65 59.09 1upk h LYS 216 Cb 0.59 -0.01 -0.01 0.00 0.08 0.00 0.00 32.23 32.88 1upk h LYS 216 CO -0.19 0.47 -0.16 -0.07 -0.57 0.00 0.00 179.45 178.93 1upk h LEU 217 N 0.14 0.26 0.00 2.94 3.38 -0.63 -2.00 115.31 119.40 1upk h LEU 217 Ca 0.02 -0.06 0.00 0.00 0.09 0.00 0.00 57.88 57.93 1upk h LEU 217 Cb 0.64 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 41.32 1upk h LEU 217 CO 0.05 0.45 0.00 0.18 0.09 0.00 0.00 178.44 179.21 1upk n LEU 218 N -4.23 0.00 -0.12 1.67 4.77 -0.81 -1.52 117.00 116.76 1upk n LEU 218 Ca -0.01 0.00 0.06 0.00 -0.03 0.00 0.00 56.01 56.04 1upk n LEU 218 Cb 0.30 0.00 0.09 0.00 -2.33 0.00 0.00 43.42 41.48 1upk n LEU 218 CO 0.39 0.00 0.49 1.41 -1.33 0.00 0.00 177.39 178.35 1upk n HIS 219 N -0.90 0.00 -1.85 -1.77 8.25 -0.76 -5.02 115.22 113.18 1upk n HIS 219 Ca 0.10 -0.71 -0.40 0.00 -0.26 0.00 0.00 57.72 56.46 1upk n HIS 219 Cb 0.05 -0.11 0.02 0.00 1.12 0.00 0.00 29.99 31.06 1upk n HIS 219 CO 0.00 0.00 0.00 0.45 0.64 0.00 0.00 176.34 177.43 1upk s SER 220 N -2.11 5.88 0.38 0.41 0.15 -0.58 -4.91 113.70 112.93 1upk s SER 220 Ca 0.20 2.84 0.20 0.00 0.70 0.00 0.00 55.95 59.89 1upk s SER 220 Cb 0.17 -2.65 0.31 0.00 -1.71 0.00 0.00 66.02 62.15 1upk s SER 220 CO 0.02 -1.16 1.58 -0.33 1.20 0.00 0.00 173.24 174.54 1upk h GLU 221 N 2.27 0.00 -6.31 5.44 4.39 -1.94 -3.40 114.58 115.04 1upk h GLU 221 Ca -0.51 0.00 -0.54 0.00 0.34 0.00 0.00 59.36 58.66 1upk h GLU 221 Cb 1.27 0.00 -0.08 0.00 -0.10 0.00 0.00 28.75 29.84 1upk h GLU 221 CO 0.61 0.20 1.11 1.21 -1.16 0.00 0.00 179.01 180.98 1upk s ASN 222 N -6.28 6.06 0.43 1.42 3.84 -1.26 -4.83 114.94 114.31 1upk s ASN 222 Ca 0.05 -0.39 0.23 0.00 0.21 0.00 0.00 52.86 52.97 1upk s ASN 222 Cb 0.06 -2.56 1.23 0.00 -0.55 0.00 0.00 41.25 39.44 1upk s ASN 222 CO 0.69 -1.90 1.75 0.10 -2.79 0.00 0.00 177.10 174.96 1upk h TYR 223 N 10.61 0.52 -0.08 0.43 -0.00 -2.00 0.93 116.97 127.39 1upk h TYR 223 Ca -0.26 0.02 -0.01 0.00 0.00 0.00 0.00 58.73 58.47 1upk h TYR 223 Cb 1.06 -0.15 -0.00 0.00 0.00 0.00 0.00 36.73 37.64 1upk h TYR 223 CO 1.12 0.01 0.00 0.28 -0.00 0.00 0.00 178.16 179.58 1upk h VAL 224 N 0.28 1.25 -0.85 -0.90 2.07 -1.94 -0.56 116.25 115.60 1upk h VAL 224 Ca 0.62 -0.77 -0.02 0.00 0.82 0.00 0.00 66.70 67.35 1upk h VAL 224 Cb 1.80 1.60 -0.04 0.00 -1.52 0.00 0.00 31.29 33.13 1upk h VAL 224 CO -0.27 0.22 0.45 0.74 0.02 0.00 0.00 177.57 178.73 1upk h THR 225 N -0.13 1.25 -0.13 2.57 2.02 -1.20 0.20 112.91 117.49 1upk h THR 225 Ca 0.02 -0.65 -0.01 0.00 0.77 0.00 0.00 66.41 66.54 1upk h THR 225 Cb 0.34 0.12 -0.01 0.00 -1.74 0.00 0.00 68.15 66.86 1upk h THR 225 CO 0.00 0.29 0.04 0.50 0.37 0.00 0.00 175.52 176.73 1upk h LYS 226 N 1.20 0.20 -0.28 6.66 3.64 -1.14 0.27 116.57 127.12 1upk h LYS 226 Ca 0.30 -0.04 -0.03 0.00 -1.27 0.00 0.00 60.65 59.60 1upk h LYS 226 Cb 0.06 -0.03 -0.01 0.00 -0.41 0.00 0.00 32.23 31.84 1upk h LYS 226 CO -0.04 0.33 0.04 -0.09 -2.27 0.00 0.00 179.45 177.41 1upk h ARG 227 N 0.03 0.46 -0.51 1.90 2.43 -0.89 -1.06 114.38 116.73 1upk h ARG 227 Ca 0.04 -0.13 -0.06 0.00 -0.81 0.00 0.00 59.98 59.02 1upk h ARG 227 Cb 0.21 -0.05 -0.02 0.00 -0.42 0.00 0.00 29.97 29.68 1upk h ARG 227 CO -0.00 0.58 0.07 1.96 -1.51 0.00 0.00 179.97 181.07 1upk h GLN 228 N 0.28 0.82 -0.51 0.20 1.08 -0.92 -1.17 115.11 114.88 1upk h GLN 228 Ca 0.08 -0.19 -0.10 0.00 -1.45 0.00 0.00 58.65 57.00 1upk h GLN 228 Cb 0.34 -0.11 -0.02 0.00 -0.05 0.00 0.00 27.48 27.64 1upk h GLN 228 CO 0.01 0.78 -0.06 0.77 -0.95 0.00 0.00 178.83 179.38 1upk h SER 229 N 0.78 0.93 -0.42 1.46 0.02 -0.25 -0.72 113.55 115.35 1upk h SER 229 Ca 0.16 -0.33 -0.10 0.00 -0.84 0.00 0.00 61.79 60.68 1upk h SER 229 Cb 0.37 -0.25 -0.02 0.00 0.14 0.00 0.00 62.40 62.64 1upk h SER 229 CO 0.01 1.04 -0.10 0.25 -1.14 0.00 0.00 176.83 176.89 1upk h LEU 230 N 0.80 0.86 -0.50 5.07 5.85 -0.98 -0.16 115.31 126.26 1upk h LEU 230 Ca 0.14 -0.26 -0.06 0.00 0.84 0.00 0.00 57.88 58.53 1upk h LEU 230 Cb 0.60 -0.23 -0.02 0.00 0.37 0.00 0.00 40.66 41.38 1upk h LEU 230 CO 0.04 0.98 0.06 0.50 -0.34 0.00 0.00 178.44 179.68 1upk h LYS 231 N 0.78 0.84 -0.41 1.25 3.64 -1.03 -2.40 116.57 119.24 1upk h LYS 231 Ca 0.13 -0.24 -0.11 0.00 -1.27 0.00 0.00 60.65 59.17 1upk h LYS 231 Cb 0.61 -0.09 -0.02 0.00 -0.41 0.00 0.00 32.23 32.32 1upk h LYS 231 CO 0.04 0.84 -0.18 1.25 -2.27 0.00 0.00 179.45 179.14 1upk h LEU 232 N 0.71 0.78 -0.39 5.20 5.85 -0.90 -2.02 115.31 124.53 1upk h LEU 232 Ca 0.15 -0.26 0.04 0.00 0.84 0.00 0.00 57.88 58.65 1upk h LEU 232 Cb 0.43 -0.21 -0.04 0.00 0.37 0.00 0.00 40.66 41.21 1upk h LEU 232 CO 0.01 0.95 0.16 0.25 -0.34 0.00 0.00 178.44 179.48 1upk h LEU 233 N 0.69 0.21 -0.57 2.25 5.85 -0.80 0.14 115.31 123.07 1upk h LEU 233 Ca 0.10 0.03 0.05 0.00 0.84 0.00 0.00 57.88 58.91 1upk h LEU 233 Cb 0.68 -0.00 -0.05 0.00 0.37 0.00 0.00 40.66 41.65 1upk h LEU 233 CO 0.05 0.16 0.29 1.23 -0.34 0.00 0.00 178.44 179.83 1upk h GLY 234 N 0.34 0.81 0.97 3.75 0.00 -1.13 -0.34 103.07 107.47 1upk h GLY 234 Ca 0.17 -0.20 -0.04 0.00 0.00 0.00 0.00 47.33 47.26 1upk h GLY 234 CO -0.15 0.11 0.14 0.83 0.00 0.00 0.00 176.54 177.48 1upk h GLU 235 N 0.55 0.75 -0.36 4.80 5.08 -0.78 -2.36 114.58 122.27 1upk h GLU 235 Ca 0.26 -0.17 0.00 0.00 -1.00 0.00 0.00 59.36 58.45 1upk h GLU 235 Cb 0.17 -0.11 -0.02 0.00 0.50 0.00 0.00 28.75 29.30 1upk h GLU 235 CO -0.18 0.71 0.22 -0.07 -1.00 0.00 0.00 179.01 178.70 1upk h LEU 236 N 0.64 0.42 -1.44 1.33 3.38 -0.25 -2.79 115.31 116.60 1upk h LEU 236 Ca 0.15 -0.04 -0.05 0.00 0.09 0.00 0.00 57.88 58.03 1upk h LEU 236 Cb 0.28 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 40.92 1upk h LEU 236 CO -0.00 0.33 -0.19 -0.07 0.09 0.00 0.00 178.44 178.59 1upk h LEU 237 N 0.47 0.12 0.00 1.67 3.38 -0.95 -3.04 115.31 116.96 1upk h LEU 237 Ca 0.13 -0.03 0.00 0.00 0.09 0.00 0.00 57.88 58.07 1upk h LEU 237 Cb -0.02 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 40.70 1upk h LEU 237 CO -0.03 0.33 -0.31 0.18 0.09 0.00 0.00 178.44 178.70 1upk n LEU 238 N -4.25 0.65 -4.72 1.67 4.77 -0.90 -4.80 117.00 109.41 1upk n LEU 238 Ca -0.01 0.37 -0.42 0.00 -0.03 0.00 0.00 56.01 55.91 1upk n LEU 238 Cb 0.29 -0.28 -0.03 0.00 -2.33 0.00 0.00 43.42 41.07 1upk n LEU 238 CO 0.38 -0.08 0.87 -0.62 -1.33 0.00 0.00 177.39 176.61 1upk s ASP 239 N -4.08 7.11 0.46 -1.43 2.15 -1.07 -4.91 116.67 114.90 1upk s ASP 239 Ca 0.09 2.08 0.20 0.00 0.43 0.00 0.00 52.55 55.35 1upk s ASP 239 Cb 0.14 -2.59 1.19 0.00 -0.30 0.00 0.00 42.92 41.36 1upk s ASP 239 CO 0.65 -0.41 1.93 0.08 -0.17 0.00 0.00 175.17 177.25 1upk h ARG 240 N 6.15 0.26 0.00 4.34 0.11 -1.90 -0.36 114.38 122.98 1upk h ARG 240 Ca -0.43 -0.02 -0.01 0.00 0.10 0.00 0.00 59.98 59.63 1upk h ARG 240 Cb 1.21 -0.06 -0.00 0.00 1.11 0.00 0.00 29.97 32.23 1upk h ARG 240 CO 0.78 0.17 -0.04 0.45 0.10 0.00 0.00 179.97 181.43 1upk h HIS 241 N 0.27 0.00 -0.58 4.08 3.86 -1.93 -2.85 115.15 117.99 1upk h HIS 241 Ca 0.36 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.57 1upk h HIS 241 Cb 1.01 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.48 1upk h HIS 241 CO -0.00 0.04 0.00 0.09 0.86 0.00 0.00 177.93 178.92 1upk n ASN 242 N -3.26 4.60 -0.27 2.45 3.02 -0.14 -4.69 115.26 116.97 1upk n ASN 242 Ca -0.01 -2.50 0.08 0.00 -0.03 0.00 0.00 54.58 52.12 1upk n ASN 242 Cb 0.22 -0.58 0.22 0.00 -0.61 0.00 0.00 39.78 39.04 1upk n ASN 242 CO 0.00 0.00 0.00 0.15 -2.62 0.00 0.00 177.26 174.79 1upk h PHE 243 N 3.74 0.31 -0.62 3.10 3.57 -1.60 -1.18 116.94 124.26 1upk h PHE 243 Ca 0.00 0.05 -0.09 0.00 3.53 0.00 0.00 57.97 61.46 1upk h PHE 243 Cb 1.46 -0.01 -0.02 0.00 2.79 0.00 0.00 35.95 40.17 1upk h PHE 243 CO 0.77 -0.13 0.03 1.15 -2.23 0.00 0.00 178.31 177.90 1upk h THR 244 N 0.25 1.27 0.00 4.41 2.02 -1.89 -0.10 112.91 118.87 1upk h THR 244 Ca 0.47 -1.12 0.00 0.00 0.77 0.00 0.00 66.41 66.53 1upk h THR 244 Cb 0.86 0.76 0.00 0.00 -1.74 0.00 0.00 68.15 68.04 1upk h THR 244 CO -0.57 0.41 0.00 -0.38 0.37 0.00 0.00 175.52 175.35 1upk n ILE 245 N -4.20 0.05 0.00 3.11 -0.00 -0.45 -2.06 119.36 115.81 1upk n ILE 245 Ca 0.03 0.00 0.00 0.00 -0.00 0.00 0.00 62.75 62.78 1upk n ILE 245 Cb 0.33 -0.23 0.00 0.00 -0.00 0.00 0.00 39.64 39.74 1upk n ILE 245 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.55 176.96 1upk n THR 247 N 0.52 0.00 -0.04 1.39 -1.04 -0.05 -1.08 114.28 113.99 1upk n THR 247 Ca 0.00 0.00 -0.16 0.00 -2.04 0.00 0.00 64.05 61.85 1upk n THR 247 Cb 0.06 0.00 -0.07 0.00 -1.82 0.00 0.00 70.33 68.50 1upk n THR 247 CO 0.00 0.00 0.00 0.50 -0.64 0.00 0.00 175.07 174.93 1upk h LYS 248 N 0.00 0.64 -0.62 -2.82 3.64 -1.67 -3.15 116.57 112.60 1upk h LYS 248 Ca 0.00 -0.48 -0.02 0.00 -1.27 0.00 0.00 60.65 58.88 1upk h LYS 248 Cb 0.00 0.09 -0.03 0.00 -0.41 0.00 0.00 32.23 31.88 1upk h LYS 248 CO 0.00 1.11 0.31 -0.92 -2.27 0.00 0.00 179.45 177.67 1upk h TYR 249 N 0.31 0.88 -0.05 1.91 5.03 -1.38 -2.45 116.97 121.22 1upk h TYR 249 Ca -0.02 -0.04 0.00 0.00 2.58 0.00 0.00 58.73 61.25 1upk h TYR 249 Cb 1.17 -0.27 0.00 0.00 1.55 0.00 0.00 36.73 39.18 1upk h TYR 249 CO 0.10 0.66 0.00 0.44 -1.32 0.00 0.00 178.16 178.03 1upk n ILE 250 N -4.52 0.09 0.81 1.81 -5.35 -1.22 -2.88 119.36 108.09 1upk n ILE 250 Ca 0.04 -0.08 0.08 0.00 -0.27 0.00 0.00 62.75 62.53 1upk n ILE 250 Cb 0.11 -0.03 -0.09 0.00 -1.74 0.00 0.00 39.64 37.89 1upk n ILE 250 CO 0.00 0.00 0.00 -1.54 -1.76 0.00 0.00 176.55 173.25 1upk n SER 251 N -0.29 0.88 -4.63 7.28 3.41 -0.92 -4.86 113.62 114.49 1upk n SER 251 Ca 0.02 -0.94 -0.39 0.00 -0.26 0.00 0.00 58.87 57.30 1upk n SER 251 Cb 0.08 0.96 -0.08 0.00 -0.26 0.00 0.00 64.21 64.91 1upk n SER 251 CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 1upk s LYS 252 N -2.57 4.09 0.26 4.33 -0.14 -1.14 -4.74 119.74 119.83 1upk s LYS 252 Ca 0.07 0.17 -0.01 0.00 -1.36 0.00 0.00 55.97 54.84 1upk s LYS 252 Cb 0.13 -3.61 0.53 0.00 -1.68 0.00 0.00 37.83 33.20 1upk s LYS 252 CO 0.68 -0.21 1.76 -1.35 -0.76 0.00 0.00 175.35 175.48 1upk h PRO 253 N 7.83 0.60 -0.30 -1.68 0.11 -1.90 -1.19 132.00 135.48 1upk h PRO 253 Ca -0.33 -0.04 -0.01 0.00 0.11 0.00 0.00 66.00 65.74 1upk h PRO 253 Cb 1.16 -0.14 -0.02 0.00 0.11 0.00 0.00 31.00 32.12 1upk h PRO 253 CO 0.69 0.40 0.13 0.93 -0.21 0.00 0.00 178.00 179.94 1upk h GLU 254 N 0.62 0.41 -0.16 1.05 4.39 -1.96 0.29 114.58 119.22 1upk h GLU 254 Ca 0.46 -0.04 -0.15 0.00 0.34 0.00 0.00 59.36 59.97 1upk h GLU 254 Cb 0.65 -0.08 0.00 0.00 -0.10 0.00 0.00 28.75 29.23 1upk h GLU 254 CO -0.36 0.33 -0.49 -0.91 -1.16 0.00 0.00 179.01 176.42 1upk h ASN 255 N 0.41 0.70 -0.59 1.42 2.35 -1.53 -1.95 115.58 116.39 1upk h ASN 255 Ca 0.11 -0.60 -0.01 0.00 -0.55 0.00 0.00 56.30 55.25 1upk h ASN 255 Cb 0.06 -0.20 -0.03 0.00 0.05 0.00 0.00 38.32 38.20 1upk h ASN 255 CO -0.01 1.17 0.34 0.25 -1.65 0.00 0.00 177.43 177.53 1upk h LEU 256 N 0.26 0.71 -0.20 1.61 5.85 -1.12 -2.80 115.31 119.63 1upk h LEU 256 Ca -0.02 -0.07 0.04 0.00 0.84 0.00 0.00 57.88 58.67 1upk h LEU 256 Cb 1.11 -0.18 -0.04 0.00 0.37 0.00 0.00 40.66 41.92 1upk h LEU 256 CO 0.10 0.57 -0.06 0.50 -0.34 0.00 0.00 178.44 179.22 1upk h LYS 257 N 0.79 -0.02 -5.01 1.25 3.64 -0.92 -3.41 116.57 112.89 1upk h LYS 257 Ca 0.21 0.00 -0.41 0.00 -1.27 0.00 0.00 60.65 59.18 1upk h LYS 257 Cb 0.00 0.01 0.10 0.00 -0.41 0.00 0.00 32.23 31.92 1upk h LYS 257 CO -0.04 -0.02 1.00 -0.11 -2.27 0.00 0.00 179.45 178.01 1upk n LEU 258 N -5.21 1.29 0.00 5.20 7.94 -0.74 -4.61 117.00 120.86 1upk n LEU 258 Ca -0.02 -1.90 0.00 0.00 -1.11 0.00 0.00 56.01 52.98 1upk n LEU 258 Cb 0.14 -0.93 0.00 0.00 0.53 0.00 0.00 43.42 43.16 1upk n LEU 258 CO 0.24 -2.43 0.00 0.59 -1.11 0.00 0.00 177.39 174.67 1upk n ASN 261 N 12.40 0.00 0.27 1.96 5.03 -1.26 -4.69 115.26 128.96 1upk n ASN 261 Ca 0.45 0.00 0.17 0.00 0.87 0.00 0.00 54.58 56.07 1upk n ASN 261 Cb 0.44 0.00 0.65 0.00 -1.02 0.00 0.00 39.78 39.84 1upk n ASN 261 CO 0.00 0.00 0.00 -0.07 -1.83 0.00 0.00 177.26 175.36 1upk h LEU 262 N 0.00 0.00 -2.16 3.41 3.38 -1.94 -1.35 115.31 116.64 1upk h LEU 262 Ca 0.00 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.96 1upk h LEU 262 Cb 0.00 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.75 1upk h LEU 262 CO 0.00 0.00 -0.05 -0.07 0.09 0.00 0.00 178.44 178.41 1upk h LEU 263 N 0.00 0.00 -3.21 1.67 3.38 -1.83 -2.07 115.31 113.24 1upk h LEU 263 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1upk h LEU 263 Cb 0.53 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.28 1upk h LEU 263 CO 0.00 0.05 0.00 0.54 0.09 0.00 0.00 178.44 179.12 1upk n ARG 264 N -3.34 3.36 -1.54 1.13 1.74 -0.51 -4.78 116.66 112.70 1upk n ARG 264 Ca -0.02 -2.75 -0.35 0.00 -0.77 0.00 0.00 57.85 53.96 1upk n ARG 264 Cb 0.20 -1.81 0.08 0.00 -1.02 0.00 0.00 32.46 29.91 1upk n ARG 264 CO 0.00 0.00 0.00 0.34 -1.52 0.00 0.00 177.63 176.45 1upk s ASP 265 N -1.41 4.34 0.61 0.55 2.15 -0.78 -4.86 116.67 117.27 1upk s ASP 265 Ca 0.42 2.45 0.38 0.00 0.43 0.00 0.00 52.55 56.23 1upk s ASP 265 Cb 0.31 -2.60 1.93 0.00 -0.30 0.00 0.00 42.92 42.26 1upk s ASP 265 CO 0.14 -2.17 2.20 0.07 -0.17 0.00 0.00 175.17 175.24 1upk h LYS 266 N 0.01 0.00 -5.48 4.34 5.09 -1.94 -3.41 116.57 115.17 1upk h LYS 266 Ca -0.49 0.00 -0.60 0.00 0.09 0.00 0.00 60.65 59.66 1upk h LYS 266 Cb 1.31 0.00 -0.11 0.00 0.10 0.00 0.00 32.23 33.53 1upk h LYS 266 CO 0.51 0.01 -0.18 0.45 -2.09 0.00 0.00 179.45 178.15 1upk s SER 267 N -5.49 6.48 0.24 7.07 0.15 -1.26 -4.97 113.70 115.93 1upk s SER 267 Ca -0.03 0.57 -0.06 0.00 0.70 0.00 0.00 55.95 57.14 1upk s SER 267 Cb 0.12 -2.24 0.25 0.00 -1.71 0.00 0.00 66.02 62.43 1upk s SER 267 CO 0.48 -0.07 1.87 -0.09 1.20 0.00 0.00 173.24 176.63 1upk h ARG 268 N 7.24 1.22 -0.43 5.44 2.43 -1.98 -1.45 114.38 126.85 1upk h ARG 268 Ca -0.37 -0.14 -0.09 0.00 -0.81 0.00 0.00 59.98 58.57 1upk h ARG 268 Cb 1.16 -0.24 -0.01 0.00 -0.42 0.00 0.00 29.97 30.46 1upk h ARG 268 CO 0.73 0.89 -0.10 -0.91 -1.51 0.00 0.00 179.97 179.07 1upk h ASN 269 N 1.23 0.84 -0.20 -3.80 2.35 -1.96 -0.88 115.58 113.16 1upk h ASN 269 Ca 0.31 -0.36 0.00 0.00 -0.55 0.00 0.00 56.30 55.70 1upk h ASN 269 Cb 0.02 -0.23 -0.01 0.00 0.05 0.00 0.00 38.32 38.15 1upk h ASN 269 CO -0.05 1.00 0.12 0.40 -1.65 0.00 0.00 177.43 177.26 1upk h ILE 270 N 0.66 1.04 -0.55 2.81 1.08 -1.85 -0.20 117.51 120.50 1upk h ILE 270 Ca 0.11 -0.09 0.05 0.00 -0.39 0.00 0.00 64.86 64.54 1upk h ILE 270 Cb 0.63 0.76 -0.05 0.00 -3.07 0.00 0.00 36.82 35.10 1upk h ILE 270 CO 0.04 0.05 0.29 1.56 -0.69 0.00 0.00 178.15 179.40 1upk h GLN 271 N 0.26 0.55 -0.72 2.37 4.20 -1.11 0.17 115.11 120.82 1upk h GLN 271 Ca 0.08 -0.03 -0.04 0.00 0.06 0.00 0.00 58.65 58.72 1upk h GLN 271 Cb -0.02 -0.12 -0.03 0.00 0.30 0.00 0.00 27.48 27.61 1upk h GLN 271 CO -0.03 0.36 0.31 0.35 -0.67 0.00 0.00 178.83 179.16 1upk h PHE 272 N 0.56 1.08 -0.28 2.96 3.57 -0.79 0.73 116.94 124.76 1upk h PHE 272 Ca 0.24 -0.07 -0.13 0.00 3.53 0.00 0.00 57.97 61.54 1upk h PHE 272 Cb 0.13 -0.33 -0.01 0.00 2.79 0.00 0.00 35.95 38.54 1upk h PHE 272 CO -0.09 0.82 -0.36 0.93 -2.23 0.00 0.00 178.31 177.38 1upk h GLU 273 N 1.02 0.62 -0.56 1.11 4.39 -0.43 -2.89 114.58 117.84 1upk h GLU 273 Ca 0.24 -0.30 -0.07 0.00 0.34 0.00 0.00 59.36 59.57 1upk h GLU 273 Cb 0.18 -0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 28.80 1upk h GLU 273 CO -0.02 0.89 0.06 0.00 -1.16 0.00 0.00 179.01 178.78 1upk h ALA 274 N 1.09 1.05 -0.95 3.43 0.00 -0.14 -2.52 119.26 121.21 1upk h ALA 274 Ca 0.05 -0.26 0.07 0.00 0.00 0.00 0.00 54.91 54.78 1upk h ALA 274 Cb 0.86 -0.22 -0.07 0.00 0.00 0.00 0.00 17.79 18.36 1upk h ALA 274 CO 0.07 0.60 0.60 0.35 0.00 0.00 0.00 179.25 180.88 1upk h PHE 275 N 0.86 1.11 -0.75 0.00 3.57 -0.67 0.88 116.94 121.94 1upk h PHE 275 Ca 0.17 0.03 -0.02 0.00 3.53 0.00 0.00 57.97 61.68 1upk h PHE 275 Cb 0.42 -0.36 -0.04 0.00 2.79 0.00 0.00 35.95 38.76 1upk h PHE 275 CO 0.03 0.55 0.39 0.45 -2.23 0.00 0.00 178.31 177.49 1upk h HIS 276 N 1.07 1.05 -0.01 0.41 3.86 -1.27 -0.34 115.15 119.91 1upk h HIS 276 Ca 0.42 -0.03 -0.07 0.00 -1.16 0.00 0.00 60.37 59.53 1upk h HIS 276 Cb 0.23 -0.33 0.01 0.00 1.06 0.00 0.00 27.41 28.37 1upk h HIS 276 CO -0.01 0.75 -0.27 0.28 0.86 0.00 0.00 177.93 179.53 1upk h VAL 277 N 1.06 1.52 -0.74 2.45 2.07 -1.29 -3.29 116.25 118.03 1upk h VAL 277 Ca 0.26 -1.91 0.16 0.00 0.82 0.00 0.00 66.70 66.04 1upk h VAL 277 Cb 0.07 2.69 -0.13 0.00 -1.52 0.00 0.00 31.29 32.39 1upk h VAL 277 CO -0.04 0.53 -0.08 0.15 0.02 0.00 0.00 177.57 178.14 1upk h PHE 278 N -0.44 -0.21 -1.00 1.57 3.57 -0.63 0.39 116.94 120.19 1upk h PHE 278 Ca -0.03 0.06 0.21 0.00 3.53 0.00 0.00 57.97 61.74 1upk h PHE 278 Cb 1.01 0.21 -0.11 0.00 2.79 0.00 0.00 35.95 39.85 1upk h PHE 278 CO 0.17 -0.28 0.61 -0.22 -2.23 0.00 0.00 178.31 176.36 1upk h LYS 279 N 0.05 0.67 -0.49 1.11 3.64 -1.12 -1.12 116.57 119.31 1upk h LYS 279 Ca 0.38 -0.04 -0.01 0.00 -1.27 0.00 0.00 60.65 59.71 1upk h LYS 279 Cb 0.64 -0.15 -0.02 0.00 -0.41 0.00 0.00 32.23 32.28 1upk h LYS 279 CO -0.71 0.44 0.25 0.28 -2.27 0.00 0.00 179.45 177.45 1upk h VAL 280 N 0.69 1.18 -0.89 2.00 2.07 -0.31 0.79 116.25 121.77 1upk h VAL 280 Ca 0.60 -0.47 0.03 0.00 0.82 0.00 0.00 66.70 67.67 1upk h VAL 280 Cb 1.03 0.60 -0.05 0.00 -1.52 0.00 0.00 31.29 31.35 1upk h VAL 280 CO -0.40 0.19 0.58 -0.26 0.02 0.00 0.00 177.57 177.70 1upk h PHE 281 N 0.64 1.08 -0.04 1.57 -1.00 -1.03 -2.96 116.94 115.21 1upk h PHE 281 Ca 0.17 0.03 -0.25 0.00 2.81 0.00 0.00 57.97 60.73 1upk h PHE 281 Cb 0.08 -0.36 0.02 0.00 3.61 0.00 0.00 35.95 39.29 1upk h PHE 281 CO -0.01 0.63 -0.97 0.28 -1.61 0.00 0.00 178.31 176.63 1upk h VAL 282 N 1.13 1.29 0.00 -0.55 2.07 -0.96 -3.26 116.25 115.97 1upk h VAL 282 Ca 0.35 -2.20 -0.02 0.00 0.82 0.00 0.00 66.70 65.65 1upk h VAL 282 Cb -0.00 2.28 -0.00 0.00 -1.52 0.00 0.00 31.29 32.05 1upk h VAL 282 CO -0.12 0.68 -0.09 0.00 0.02 0.00 0.00 177.57 178.06 1upk h ALA 283 N 0.49 1.20 -1.58 1.67 0.00 -0.77 -3.43 119.26 116.84 1upk h ALA 283 Ca -0.10 -0.08 -0.65 0.00 0.00 0.00 0.00 54.91 54.07 1upk h ALA 283 Cb 1.61 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.39 1upk h ALA 283 CO 0.19 0.12 1.24 -1.71 0.00 0.00 0.00 179.25 179.09 1upk n ASN 284 N -3.49 2.76 0.25 0.00 5.15 -1.13 -4.86 115.26 113.94 1upk n ASN 284 Ca -0.02 0.68 0.16 0.00 -0.60 0.00 0.00 54.58 54.80 1upk n ASN 284 Cb 0.23 -1.32 0.55 0.00 -0.53 0.00 0.00 39.78 38.71 1upk n ASN 284 CO 0.00 0.00 0.00 1.55 1.40 0.00 0.00 177.26 180.21 1upk h PRO 285 N 10.84 0.00 -2.44 1.20 0.13 -1.92 -3.36 132.00 136.45 1upk h PRO 285 Ca -0.39 0.00 -0.61 0.00 -0.87 0.00 0.00 66.00 64.13 1upk h PRO 285 Cb 1.29 0.00 -0.42 0.00 0.13 0.00 0.00 31.00 32.01 1upk h PRO 285 CO 0.98 0.00 -0.57 0.09 -0.23 0.00 0.00 178.00 178.27 1upk n ASN 286 N -2.98 3.61 -4.81 1.44 4.13 -1.26 -5.09 115.26 110.30 1upk n ASN 286 Ca 0.02 -3.39 -0.34 0.00 1.68 0.00 0.00 54.58 52.55 1upk n ASN 286 Cb 0.35 -0.70 -0.05 0.00 -1.54 0.00 0.00 39.78 37.84 1upk n ASN 286 CO 0.00 0.00 0.00 -0.54 0.28 0.00 0.00 177.26 177.00 1upk s LYS 287 N -2.22 4.11 0.64 3.52 1.02 -1.26 -5.04 119.74 120.51 1upk s LYS 287 Ca 0.36 1.26 -0.12 0.00 0.02 0.00 0.00 55.97 57.49 1upk s LYS 287 Cb 0.10 -2.24 -0.02 0.00 -0.52 0.00 0.00 37.83 35.14 1upk s LYS 287 CO -0.05 -0.15 1.04 0.95 -0.92 0.00 0.00 175.35 176.22 1upk s THR 288 N -2.01 4.31 0.26 2.17 -4.23 -1.26 -4.83 115.64 110.05 1upk s THR 288 Ca 0.62 0.82 -0.05 0.00 -1.18 0.00 0.00 61.69 61.91 1upk s THR 288 Cb -0.14 -3.61 0.26 0.00 1.34 0.00 0.00 72.50 70.35 1upk s THR 288 CO 0.18 -0.91 1.94 -0.61 -0.54 0.00 0.00 174.62 174.67 1upk h GLN 289 N -0.28 1.25 -0.14 3.99 4.15 -1.96 -1.36 115.11 120.76 1upk h GLN 289 Ca -0.44 -0.08 -0.01 0.00 0.77 0.00 0.00 58.65 58.89 1upk h GLN 289 Cb 1.20 -0.28 -0.01 0.00 0.21 0.00 0.00 27.48 28.60 1upk h GLN 289 CO 0.59 0.83 0.06 -1.35 -1.93 0.00 0.00 178.83 177.04 1upk h PRO 290 N 1.29 0.19 0.06 -2.39 0.11 -1.93 0.12 132.00 129.45 1upk h PRO 290 Ca 0.35 -0.02 -0.00 0.00 0.11 0.00 0.00 66.00 66.44 1upk h PRO 290 Cb -0.14 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 30.93 1upk h PRO 290 CO -0.07 0.15 -0.03 0.82 -0.21 0.00 0.00 178.00 178.66 1upk h ILE 291 N 0.19 1.24 -0.99 4.15 1.08 -1.68 -2.85 117.51 118.64 1upk h ILE 291 Ca 0.05 -1.56 0.07 0.00 -0.39 0.00 0.00 64.86 63.03 1upk h ILE 291 Cb 0.03 2.18 -0.07 0.00 -3.07 0.00 0.00 36.82 35.89 1upk h ILE 291 CO -0.01 0.36 0.64 0.25 -0.69 0.00 0.00 178.15 178.70 1upk h LEU 292 N -0.84 1.00 -1.03 1.44 5.85 -1.07 -2.19 115.31 118.47 1upk h LEU 292 Ca -0.01 0.02 -0.07 0.00 0.84 0.00 0.00 57.88 58.66 1upk h LEU 292 Cb 0.65 -0.20 -0.02 0.00 0.37 0.00 0.00 40.66 41.46 1upk h LEU 292 CO 0.01 0.62 -0.05 0.44 -0.34 0.00 0.00 178.44 179.13 1upk h ASP 293 N 1.13 0.61 -0.46 1.25 3.32 -0.82 -0.47 116.42 120.99 1upk h ASP 293 Ca 0.44 -0.15 -0.09 0.00 0.02 0.00 0.00 57.03 57.25 1upk h ASP 293 Cb 0.22 -0.16 -0.02 0.00 0.22 0.00 0.00 39.33 39.59 1upk h ASP 293 CO -0.19 0.72 -0.07 0.40 -1.72 0.00 0.00 179.24 178.37 1upk h ILE 294 N 0.60 1.27 -0.55 0.35 2.04 -1.17 -1.26 117.51 118.79 1upk h ILE 294 Ca 0.12 -1.18 -0.08 0.00 1.00 0.00 0.00 64.86 64.72 1upk h ILE 294 Cb 0.45 1.09 -0.02 0.00 -0.74 0.00 0.00 36.82 37.60 1upk h ILE 294 CO 0.02 0.41 0.01 -0.07 0.00 0.00 0.00 178.15 178.52 1upk h LEU 295 N 0.71 0.91 -0.36 1.44 3.38 -1.01 -2.53 115.31 117.85 1upk h LEU 295 Ca 0.12 -0.24 -0.17 0.00 0.09 0.00 0.00 57.88 57.68 1upk h LEU 295 Cb 0.61 -0.24 -0.00 0.00 0.09 0.00 0.00 40.66 41.11 1upk h LEU 295 CO 0.04 0.97 -0.43 -0.07 0.09 0.00 0.00 178.44 179.03 1upk h LEU 296 N 0.87 1.00 -2.29 1.67 3.38 -1.02 0.96 115.31 119.89 1upk h LEU 296 Ca 0.16 -0.48 -0.00 0.00 0.09 0.00 0.00 57.88 57.65 1upk h LEU 296 Cb 0.50 -0.28 -0.00 0.00 0.09 0.00 0.00 40.66 40.97 1upk h LEU 296 CO 0.02 1.29 -0.02 0.50 0.09 0.00 0.00 178.44 180.32 1upk h LYS 297 N 0.74 0.00 -0.03 1.13 3.64 -1.12 -2.59 116.57 118.35 1upk h LYS 297 Ca 0.05 0.00 -0.00 0.00 -1.27 0.00 0.00 60.65 59.43 1upk h LYS 297 Cb 1.04 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 32.85 1upk h LYS 297 CO 0.10 0.02 -0.03 0.09 -2.27 0.00 0.00 179.45 177.36 1upk n ASN 298 N -3.98 2.47 0.19 4.20 3.02 -0.96 -4.87 115.26 115.34 1upk n ASN 298 Ca -0.03 -3.14 -0.16 0.00 -0.03 0.00 0.00 54.58 51.22 1upk n ASN 298 Cb 0.11 -0.45 -0.08 0.00 -0.61 0.00 0.00 39.78 38.74 1upk n ASN 298 CO 0.00 0.00 0.00 -0.61 -2.62 0.00 0.00 177.26 174.03 1upk h GLN 299 N 0.26 -0.76 -0.67 3.52 4.15 -0.40 0.25 115.11 121.46 1upk h GLN 299 Ca 0.00 0.05 -0.02 0.00 0.77 0.00 0.00 58.65 59.45 1upk h GLN 299 Cb 1.05 0.17 -0.03 0.00 0.21 0.00 0.00 27.48 28.88 1upk h GLN 299 CO 0.03 -0.50 0.33 0.00 -1.93 0.00 0.00 178.83 176.75 1upk h ALA 300 N -0.42 0.86 -0.69 3.38 0.00 -1.87 -0.71 119.26 119.80 1upk h ALA 300 Ca -0.02 -0.14 -0.01 0.00 0.00 0.00 0.00 54.91 54.75 1upk h ALA 300 Cb 0.74 -0.26 -0.03 0.00 0.00 0.00 0.00 17.79 18.23 1upk h ALA 300 CO -0.15 0.42 0.40 0.87 0.00 0.00 0.00 179.25 180.78 1upk h LYS 301 N 0.92 0.95 -0.41 0.00 1.57 -1.85 -1.27 116.57 116.49 1upk h LYS 301 Ca 0.23 -0.10 -0.05 0.00 -1.87 0.00 0.00 60.65 58.86 1upk h LYS 301 Cb 0.11 -0.19 -0.02 0.00 0.08 0.00 0.00 32.23 32.21 1upk h LYS 301 CO -0.03 0.70 0.05 -0.07 -0.57 0.00 0.00 179.45 179.53 1upk h LEU 302 N 0.94 0.66 -0.30 2.94 3.38 -0.23 0.24 115.31 122.95 1upk h LEU 302 Ca 0.25 -0.27 0.03 0.00 0.09 0.00 0.00 57.88 57.98 1upk h LEU 302 Cb 0.01 -0.18 -0.03 0.00 0.09 0.00 0.00 40.66 40.55 1upk h LEU 302 CO -0.04 0.77 0.11 0.40 0.09 0.00 0.00 178.44 179.77 1upk h ILE 303 N 0.54 0.93 -0.25 1.22 2.04 -0.87 0.31 117.51 121.42 1upk h ILE 303 Ca 0.12 -0.09 -0.04 0.00 1.00 0.00 0.00 64.86 65.86 1upk h ILE 303 Cb 0.39 0.66 -0.01 0.00 -0.74 0.00 0.00 36.82 37.12 1upk h ILE 303 CO 0.01 0.05 0.01 -0.08 0.00 0.00 0.00 178.15 178.14 1upk h GLU 304 N 0.25 0.44 -0.26 2.37 4.57 -1.06 -2.11 114.58 118.78 1upk h GLU 304 Ca 0.13 -0.14 0.03 0.00 -1.18 0.00 0.00 59.36 58.21 1upk h GLU 304 Cb 0.09 -0.04 -0.03 0.00 -0.16 0.00 0.00 28.75 28.61 1upk h GLU 304 CO -0.13 0.60 0.08 0.35 -1.18 0.00 0.00 179.01 178.74 1upk h PHE 305 N 0.23 0.14 -0.12 0.92 3.04 -0.31 -2.50 116.94 118.34 1upk h PHE 305 Ca 0.07 0.01 -0.08 0.00 3.98 0.00 0.00 57.97 61.96 1upk h PHE 305 Cb 0.40 -0.03 -0.01 0.00 2.56 0.00 0.00 35.95 38.87 1upk h PHE 305 CO 0.03 0.06 -0.27 -0.07 -2.02 0.00 0.00 178.31 176.04 1upk h LEU 306 N 0.19 0.21 -0.57 0.59 3.38 -0.93 -0.53 115.31 117.67 1upk h LEU 306 Ca 0.12 -0.07 0.00 0.00 0.09 0.00 0.00 57.88 58.02 1upk h LEU 306 Cb 0.09 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 40.79 1upk h LEU 306 CO -0.13 0.49 0.00 -1.20 0.09 0.00 0.00 178.44 177.69 1upk n SER 307 N -4.15 0.39 0.00 -0.43 7.64 -0.80 -2.95 113.62 113.32 1upk n SER 307 Ca -0.01 0.62 0.00 0.00 1.01 0.00 0.00 58.87 60.49 1upk n SER 307 Cb 0.37 -0.69 0.00 0.00 -1.01 0.00 0.00 64.21 62.88 1upk n SER 307 CO 0.00 0.00 0.00 0.29 -3.01 0.00 0.00 175.04 172.32 1upk n LYS 308 N -1.95 3.19 -1.59 1.43 5.02 -0.81 -4.96 118.16 118.48 1upk n LYS 308 Ca 0.02 -0.17 -0.45 0.00 -2.02 0.00 0.00 58.31 55.69 1upk n LYS 308 Cb 0.15 -0.62 -0.04 0.00 -0.02 0.00 0.00 35.03 34.50 1upk n LYS 308 CO 0.00 0.00 0.00 0.34 -0.52 0.00 0.00 177.40 177.22 1upk n PHE 309 N -0.50 2.03 -4.24 2.13 7.35 -0.27 -3.22 117.46 120.73 1upk n PHE 309 Ca 0.00 -0.08 -0.30 0.00 -0.76 0.00 0.00 57.45 56.31 1upk n PHE 309 Cb 0.02 -2.70 -0.09 0.00 0.35 0.00 0.00 39.48 37.06 1upk n PHE 309 CO 0.00 0.00 0.00 1.04 -0.76 0.00 0.00 176.76 177.04 1upk n GLN 310 N 8.21 -0.92 0.13 -4.13 6.02 -1.26 -4.76 117.38 120.67 1upk n GLN 310 Ca 0.30 0.09 0.10 0.00 -0.01 0.00 0.00 57.00 57.47 1upk n GLN 310 Cb 0.38 -3.49 0.48 0.00 1.02 0.00 0.00 30.24 28.63 1upk n GLN 310 CO 0.00 0.00 0.00 0.27 -1.01 0.00 0.00 177.06 176.32 1upk n ASN 311 N -2.68 0.50 0.08 1.08 0.23 -1.20 -1.06 115.26 112.21 1upk n ASN 311 Ca -0.27 0.70 -0.08 0.00 -0.53 0.00 0.00 54.58 54.40 1upk n ASN 311 Cb 0.64 -0.78 0.03 0.00 -2.08 0.00 0.00 39.78 37.60 1upk n ASN 311 CO 0.00 0.00 0.00 -2.24 -0.93 0.00 0.00 177.26 174.09 1upk h ASP 312 N 0.00 0.28 -2.55 0.53 3.04 -1.89 -3.49 116.42 112.34 1upk h ASP 312 Ca 0.00 -0.20 -0.57 0.00 -3.24 0.00 0.00 57.03 53.02 1upk h ASP 312 Cb 0.10 -0.08 -0.02 0.00 -1.04 0.00 0.00 39.33 38.29 1upk h ASP 312 CO 0.00 0.96 1.26 -0.60 -2.04 0.00 0.00 179.24 178.82 1upk s ARG 313 N -3.39 3.55 -0.55 4.15 3.52 -0.23 -4.96 118.95 121.05 1upk s ARG 313 Ca -0.03 1.75 -0.18 0.00 -0.13 0.00 0.00 55.73 57.13 1upk s ARG 313 Cb 0.11 -4.17 0.09 0.00 -1.56 0.00 0.00 34.95 29.42 1upk s ARG 313 CO 0.82 -1.60 0.61 -1.21 -0.81 0.00 0.00 175.30 173.11 1upk s GLU 315 N 5.30 3.04 -0.14 5.12 2.02 -1.26 -4.91 118.70 127.88 1upk s GLU 315 Ca 0.82 -1.30 -0.04 0.00 0.02 0.00 0.00 54.97 54.46 1upk s GLU 315 Cb -0.27 -4.22 -0.25 0.00 0.10 0.00 0.00 34.13 29.49 1upk s GLU 315 CO 0.33 -1.37 0.28 -3.47 0.02 0.00 0.00 175.26 171.05 1upk n ASP 316 N 5.96 2.02 0.00 -0.19 -0.08 -1.26 -4.98 116.55 118.01 1upk n ASP 316 Ca -0.10 0.16 0.00 0.00 -1.51 0.00 0.00 54.79 53.34 1upk n ASP 316 Cb 0.43 -0.73 0.00 0.00 2.34 0.00 0.00 41.12 43.16 1upk n ASP 316 CO 0.00 0.00 0.00 1.21 0.12 0.00 0.00 177.20 178.53 1upk n GLU 317 N -3.42 0.00 0.03 -0.67 4.07 -1.26 -4.30 120.64 115.10 1upk n GLU 317 Ca -0.34 0.00 -0.14 0.00 -0.06 0.00 0.00 57.16 56.62 1upk n GLU 317 Cb 1.04 -0.04 -0.03 0.00 -0.06 0.00 0.00 31.44 32.34 1upk n GLU 317 CO 0.00 0.00 0.00 0.37 -0.06 0.00 0.00 177.13 177.44 1upk h GLN 318 N 0.00 0.55 -0.29 5.31 4.15 -1.98 -1.54 115.11 121.31 1upk h GLN 318 Ca 0.00 -0.50 -0.05 0.00 0.77 0.00 0.00 58.65 58.87 1upk h GLN 318 Cb 0.00 0.12 -0.01 0.00 0.21 0.00 0.00 27.48 27.80 1upk h GLN 318 CO 0.00 1.13 -0.01 0.35 -1.93 0.00 0.00 178.83 178.36 1upk h PHE 319 N 0.35 0.57 -0.71 3.99 3.57 -1.99 -1.31 116.94 121.41 1upk h PHE 319 Ca -0.06 -0.10 -0.06 0.00 3.53 0.00 0.00 57.97 61.28 1upk h PHE 319 Cb 1.45 -0.15 -0.03 0.00 2.79 0.00 0.00 35.95 40.01 1upk h PHE 319 CO 0.07 0.67 0.21 -0.91 -2.23 0.00 0.00 178.31 176.12 1upk h ASN 320 N 0.30 1.04 0.35 0.41 -0.26 -1.87 -1.18 115.58 114.36 1upk h ASN 320 Ca 0.08 -0.20 -0.10 0.00 -0.56 0.00 0.00 56.30 55.53 1upk h ASN 320 Cb 0.46 -0.27 -0.01 0.00 -1.06 0.00 0.00 38.32 37.43 1upk h ASN 320 CO 0.02 0.97 -0.42 0.44 -1.06 0.00 0.00 177.43 177.38 1upk h ASP 321 N 1.06 0.10 -0.09 5.81 5.19 -1.14 -2.23 116.42 125.12 1upk h ASP 321 Ca 0.23 -0.04 -0.17 0.00 -0.62 0.00 0.00 57.03 56.42 1upk h ASP 321 Cb 0.31 -0.03 -0.00 0.00 0.18 0.00 0.00 39.33 39.79 1upk h ASP 321 CO -0.01 0.51 -0.57 -0.33 -3.12 0.00 0.00 179.24 175.72 1upk h GLU 322 N 0.08 0.68 -0.60 3.56 5.08 -0.53 -1.81 114.58 121.04 1upk h GLU 322 Ca 0.01 -0.44 -0.07 0.00 -1.00 0.00 0.00 59.36 57.85 1upk h GLU 322 Cb 0.78 0.06 -0.03 0.00 0.50 0.00 0.00 28.75 30.06 1upk h GLU 322 CO 0.06 1.06 0.11 0.87 -1.00 0.00 0.00 179.01 180.11 1upk h LYS 323 N 0.52 0.97 -0.59 2.33 1.57 -1.04 -0.07 116.57 120.26 1upk h LYS 323 Ca 0.01 -0.24 -0.05 0.00 -1.87 0.00 0.00 60.65 58.50 1upk h LYS 323 Cb 1.14 -0.13 -0.02 0.00 0.08 0.00 0.00 32.23 33.30 1upk h LYS 323 CO 0.11 0.89 0.18 1.15 -0.57 0.00 0.00 179.45 181.22 1upk h THR 324 N 0.92 1.24 -0.53 -0.16 2.02 -1.21 -0.22 112.91 114.97 1upk h THR 324 Ca 0.19 -0.83 -0.10 0.00 0.77 0.00 0.00 66.41 66.45 1upk h THR 324 Cb 0.39 0.67 -0.02 0.00 -1.74 0.00 0.00 68.15 67.44 1upk h THR 324 CO 0.01 0.31 -0.04 0.22 0.37 0.00 0.00 175.52 176.39 1upk h TYR 325 N 0.83 1.05 -0.18 3.16 3.20 -1.07 -2.48 116.97 121.49 1upk h TYR 325 Ca 0.19 -0.20 -0.17 0.00 3.14 0.00 0.00 58.73 61.69 1upk h TYR 325 Cb 0.29 -0.27 -0.00 0.00 1.54 0.00 0.00 36.73 38.29 1upk h TYR 325 CO 0.02 0.98 -0.59 -0.07 -1.64 0.00 0.00 178.16 176.85 1upk h LEU 326 N 0.83 0.67 -0.69 2.82 3.38 -0.77 -0.46 115.31 121.08 1upk h LEU 326 Ca 0.14 -0.37 -0.03 0.00 0.09 0.00 0.00 57.88 57.71 1upk h LEU 326 Cb 0.59 -0.19 -0.03 0.00 0.09 0.00 0.00 40.66 41.11 1upk h LEU 326 CO 0.04 1.11 0.32 0.58 0.09 0.00 0.00 178.44 180.57 1upk h VAL 327 N 0.44 1.23 -0.51 1.22 2.07 -1.00 -0.26 116.25 119.45 1upk h VAL 327 Ca -0.00 -0.67 -0.12 0.00 0.82 0.00 0.00 66.70 66.72 1upk h VAL 327 Cb 1.16 0.40 -0.02 0.00 -1.52 0.00 0.00 31.29 31.31 1upk h VAL 327 CO 0.11 0.28 -0.17 0.50 0.02 0.00 0.00 177.57 178.31 1upk h LYS 328 N 0.96 1.00 -0.23 1.57 3.64 -1.30 -1.32 116.57 120.90 1upk h LYS 328 Ca 0.23 -0.40 0.02 0.00 -1.27 0.00 0.00 60.65 59.23 1upk h LYS 328 Cb 0.14 -0.05 -0.02 0.00 -0.41 0.00 0.00 32.23 31.89 1upk h LYS 328 CO -0.03 1.08 0.10 1.96 -2.27 0.00 0.00 179.45 180.29 1upk h GLN 329 N 0.88 0.21 -0.65 1.90 1.08 -0.63 -0.80 115.11 117.09 1upk h GLN 329 Ca 0.12 -0.01 -0.07 0.00 -1.45 0.00 0.00 58.65 57.24 1upk h GLN 329 Cb 0.74 -0.05 -0.03 0.00 -0.05 0.00 0.00 27.48 28.10 1upk h GLN 329 CO 0.06 0.14 0.12 0.82 -0.95 0.00 0.00 178.83 179.02 1upk h ILE 330 N 0.21 1.26 -0.60 2.54 1.08 -0.93 -2.21 117.51 118.86 1upk h ILE 330 Ca 0.10 -1.00 -0.02 0.00 -0.39 0.00 0.00 64.86 63.55 1upk h ILE 330 Cb 0.05 0.66 -0.03 0.00 -3.07 0.00 0.00 36.82 34.42 1upk h ILE 330 CO -0.08 0.37 0.30 0.03 -0.69 0.00 0.00 178.15 178.08 1upk h ARG 331 N 0.98 0.83 -0.01 2.37 3.08 -1.02 -2.66 114.38 117.95 1upk h ARG 331 Ca 0.20 -0.10 0.00 0.00 0.07 0.00 0.00 59.98 60.15 1upk h ARG 331 Cb 0.41 -0.16 0.00 0.00 0.08 0.00 0.00 29.97 30.30 1upk h ARG 331 CO 0.01 0.64 -0.00 -0.25 -1.07 0.00 0.00 179.97 179.30 1upk n ASP 332 N -4.37 1.03 -4.70 7.04 8.00 -0.32 -4.93 116.55 118.31 1upk n ASP 332 Ca 0.05 -1.34 -0.44 0.00 0.71 0.00 0.00 54.79 53.77 1upk n ASP 332 Cb 0.12 0.00 -0.03 0.00 -0.02 0.00 0.00 41.12 41.19 1upk n ASP 332 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 1upk n LEU 333 N -0.19 3.54 -3.89 0.64 4.77 -0.88 -5.00 117.00 115.98 1upk n LEU 333 Ca 0.21 1.10 -0.11 0.00 -0.03 0.00 0.00 56.01 57.18 1upk n LEU 333 Cb 0.28 -1.49 -0.13 0.00 -2.33 0.00 0.00 43.42 39.75 1upk n LEU 333 CO 0.17 -0.14 -0.32 -0.54 -1.33 0.00 0.00 177.39 175.23 1upk s LYS 334 N 0.41 0.16 0.29 3.23 1.02 -1.26 -5.09 119.74 118.50 1upk s LYS 334 Ca 0.73 -0.18 -0.29 0.00 0.02 0.00 0.00 55.97 56.25 1upk s LYS 334 Cb -0.60 0.06 -0.10 0.00 -0.52 0.00 0.00 37.83 36.68 1upk s LYS 334 CO 0.41 -0.03 1.11 1.03 -0.92 0.00 0.00 175.35 176.96 1upk s ARG 335 N -0.52 4.58 0.00 1.68 0.52 -1.26 -5.04 118.95 118.90 1upk s ARG 335 Ca -0.06 1.82 0.00 0.00 -0.52 0.00 0.00 55.73 56.97 1upk s ARG 335 Cb -0.04 -3.13 0.00 0.00 0.52 0.00 0.00 34.95 32.30 1upk s ARG 335 CO -0.00 0.15 0.00 -0.35 0.02 0.00 0.00 175.30 175.12 1upk n PRO 336 N 1.06 1.68 -2.06 3.54 -0.04 -1.26 -5.00 135.00 132.92 1upk n PRO 336 Ca -0.01 0.00 -0.41 0.00 -0.04 0.00 0.00 63.50 63.04 1upk n PRO 336 Cb 0.45 0.00 -0.02 0.00 -0.04 0.00 0.00 33.50 33.88 1upk n PRO 336 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1upk s ALA 337 N -3.05 3.60 0.07 0.55 0.00 -1.26 -4.95 121.76 116.72 1upk s ALA 337 Ca 0.00 1.27 -0.31 0.00 0.00 0.00 0.00 51.96 52.93 1upk s ALA 337 Cb 0.00 -3.54 -0.15 0.00 0.00 0.00 0.00 23.12 19.43 1upk s ALA 337 CO 0.00 -0.69 1.47 0.37 0.00 0.00 0.00 175.76 176.91 1upk h GLN 338 N 5.10 -0.85 0.00 0.00 4.15 -2.05 -3.55 115.11 117.91 1upk h GLN 338 Ca -0.46 0.06 0.00 0.00 0.77 0.00 0.00 58.65 59.02 1upk h GLN 338 Cb 1.22 0.19 0.00 0.00 0.21 0.00 0.00 27.48 29.10 1upk h GLN 338 CO 0.78 -0.57 0.00 0.00 -1.93 0.00 0.00 178.83 177.11