#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1nmr n SER 2 N 0.00 2.94 -0.01 1.61 3.41 -1.26 -4.59 113.62 115.72 1nmr n SER 2 Ca 0.00 0.00 -0.01 0.00 -0.26 0.00 0.00 58.87 58.60 1nmr n SER 2 Cb 0.00 1.12 -0.00 0.00 -0.26 0.00 0.00 64.21 65.06 1nmr n SER 2 CO 0.00 0.00 0.00 0.77 -0.16 0.00 0.00 175.04 175.65 1nmr h SER 3 N 0.00 0.00 -0.51 4.04 4.64 -2.08 -3.40 113.55 116.24 1nmr h SER 3 Ca -0.09 0.00 -0.62 0.00 -0.47 0.00 0.00 61.79 60.60 1nmr h SER 3 Cb 0.87 0.00 -0.05 0.00 -0.31 0.00 0.00 62.40 62.91 1nmr h SER 3 CO 0.01 0.11 2.54 0.00 -0.87 0.00 0.00 176.83 178.62 1nmr n LEU 4 N -2.59 7.91 -4.75 5.97 -0.00 -1.26 -4.95 117.00 117.33 1nmr n LEU 4 Ca -0.01 -4.39 -0.40 0.00 -0.00 0.00 0.00 56.01 51.21 1nmr n LEU 4 Cb 0.03 -1.44 -0.05 0.00 -0.00 0.00 0.00 43.42 41.96 1nmr n LEU 4 CO 0.01 2.00 0.72 0.00 -0.00 0.00 0.00 177.39 180.12 1nmr s ALA 5 N 0.50 3.35 -0.19 1.47 0.00 -1.26 -4.97 121.76 120.66 1nmr s ALA 5 Ca 0.63 0.73 0.03 0.00 0.00 0.00 0.00 51.96 53.35 1nmr s ALA 5 Cb 0.22 -3.28 -0.22 0.00 0.00 0.00 0.00 23.12 19.84 1nmr s ALA 5 CO -0.08 -0.00 0.08 0.45 0.00 0.00 0.00 175.76 176.20 1nmr n SER 6 N 1.73 1.64 -4.76 0.00 2.88 -1.26 -4.94 113.62 108.92 1nmr n SER 6 Ca -0.00 0.04 -0.41 0.00 -1.33 0.00 0.00 58.87 57.17 1nmr n SER 6 Cb 0.46 -0.32 -0.03 0.00 -0.75 0.00 0.00 64.21 63.57 1nmr n SER 6 CO 0.00 0.00 0.00 -1.10 -1.23 0.00 0.00 175.04 172.71 1nmr s GLN 7 N -2.53 4.50 0.00 -1.46 -0.21 -1.26 -4.94 119.66 113.76 1nmr s GLN 7 Ca -0.25 1.99 0.25 0.00 0.02 0.00 0.00 55.36 57.37 1nmr s GLN 7 Cb 0.08 -3.15 0.51 0.00 1.00 0.00 0.00 33.01 31.45 1nmr s GLN 7 CO 0.71 -0.01 1.42 0.41 -2.12 0.00 0.00 175.29 175.70 1nmr n GLY 8 N 1.26 -0.21 2.77 3.09 0.00 -1.26 -4.31 105.19 106.53 1nmr n GLY 8 Ca 0.00 -0.51 -0.39 0.00 0.00 0.00 0.00 46.02 45.13 1nmr n GLY 8 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1nmr n GLN 9 N -0.20 2.74 0.00 1.61 10.64 -1.26 -4.80 117.38 126.11 1nmr n GLN 9 Ca 0.12 -3.47 0.00 0.00 -1.83 0.00 0.00 57.00 51.83 1nmr n GLN 9 Cb 0.41 -2.27 0.00 0.00 -0.86 0.00 0.00 30.24 27.51 1nmr n GLN 9 CO 0.00 0.00 0.00 -1.71 -1.83 0.00 0.00 177.06 173.52 1nmr n ASN 10 N -0.63 0.00 -0.32 2.61 2.85 -1.26 -2.15 115.26 116.35 1nmr n ASN 10 Ca 0.56 0.26 0.15 0.00 -0.11 0.00 0.00 54.58 55.44 1nmr n ASN 10 Cb 0.34 0.00 0.34 0.00 1.24 0.00 0.00 39.78 41.70 1nmr n ASN 10 CO 0.00 0.00 0.00 0.17 -2.11 0.00 0.00 177.26 175.32 1nmr h LEU 11 N 0.00 0.50 -1.74 1.20 8.10 -1.97 0.43 115.31 121.83 1nmr h LEU 11 Ca 0.00 0.14 0.13 0.00 0.11 0.00 0.00 57.88 58.26 1nmr h LEU 11 Cb 0.00 0.08 -0.04 0.00 -0.44 0.00 0.00 40.66 40.26 1nmr h LEU 11 CO 0.00 0.06 0.42 -1.28 -4.11 0.00 0.00 178.44 173.53 1nmr h SER 12 N 0.49 0.25 0.83 0.17 0.87 -1.90 0.64 113.55 114.90 1nmr h SER 12 Ca 0.60 0.01 0.00 0.00 -1.23 0.00 0.00 61.79 61.17 1nmr h SER 12 Cb 1.12 -0.04 0.00 0.00 -0.44 0.00 0.00 62.40 63.04 1nmr h SER 12 CO -0.50 0.14 -1.00 0.41 -0.53 0.00 0.00 176.83 175.36 1nmr n THR 13 N -4.45 0.47 -0.07 2.23 -1.04 0.14 -4.20 114.28 107.36 1nmr n THR 13 Ca 0.11 -0.45 -0.12 0.00 -2.04 0.00 0.00 64.05 61.55 1nmr n THR 13 Cb 0.49 -0.20 -0.06 0.00 -1.82 0.00 0.00 70.33 68.75 1nmr n THR 13 CO 0.00 0.00 0.00 0.58 -0.64 0.00 0.00 175.07 175.01 1nmr h VAL 14 N 0.00 1.31 0.00 12.58 2.07 0.58 -2.80 116.25 129.99 1nmr h VAL 14 Ca 0.00 -1.17 0.00 0.00 0.82 0.00 0.00 66.70 66.35 1nmr h VAL 14 Cb 0.91 1.66 0.00 0.00 -1.52 0.00 0.00 31.29 32.35 1nmr h VAL 14 CO 0.00 0.35 0.00 0.25 0.02 0.00 0.00 177.57 178.19 1nmr h LEU 15 N 0.10 0.00 -1.45 2.57 5.85 -1.63 -2.45 115.31 118.30 1nmr h LEU 15 Ca 0.04 0.00 -0.04 0.00 0.84 0.00 0.00 57.88 58.72 1nmr h LEU 15 Cb 0.59 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.61 1nmr h LEU 15 CO 0.03 0.00 -0.04 0.00 -0.34 0.00 0.00 178.44 178.09 1nmr h ALA 16 N 2.10 1.56 -0.01 1.25 0.00 -1.67 -1.43 119.26 121.06 1nmr h ALA 16 Ca 0.00 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.75 1nmr h ALA 16 Cb 0.16 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.85 1nmr h ALA 16 CO 0.00 0.32 -0.03 0.09 0.00 0.00 0.00 179.25 179.63 1nmr n ASN 17 N -4.33 0.69 -3.72 0.00 5.03 -0.92 -4.29 115.26 107.72 1nmr n ASN 17 Ca -0.00 -1.08 -0.40 0.00 0.87 0.00 0.00 54.58 53.96 1nmr n ASN 17 Cb 0.22 -0.02 0.01 0.00 -1.02 0.00 0.00 39.78 38.97 1nmr n ASN 17 CO 0.00 0.00 0.00 0.18 -1.83 0.00 0.00 177.26 175.61 1nmr n LEU 18 N -0.54 6.62 -0.07 3.41 4.32 -0.54 -4.76 117.00 125.44 1nmr n LEU 18 Ca 0.20 -5.35 -0.09 0.00 -0.02 0.00 0.00 56.01 50.75 1nmr n LEU 18 Cb 0.24 -1.14 -0.06 0.00 -1.62 0.00 0.00 43.42 40.85 1nmr n LEU 18 CO 0.19 1.94 -0.08 0.74 -1.22 0.00 0.00 177.39 178.95 1nmr h THR 19 N 2.78 0.61 -0.19 -5.08 2.02 -1.78 -3.01 112.91 108.26 1nmr h THR 19 Ca 0.36 -1.55 -0.10 0.00 0.77 0.00 0.00 66.41 65.90 1nmr h THR 19 Cb 0.46 1.24 -0.01 0.00 -1.74 0.00 0.00 68.15 68.10 1nmr h THR 19 CO 1.20 0.21 -0.30 1.55 0.37 0.00 0.00 175.52 178.55 1nmr h PRO 20 N -1.00 0.37 0.00 6.66 0.13 -1.97 0.10 132.00 136.29 1nmr h PRO 20 Ca -0.06 -0.15 -0.00 0.00 -0.87 0.00 0.00 66.00 64.92 1nmr h PRO 20 Cb 0.61 -0.02 0.00 0.00 0.13 0.00 0.00 31.00 31.72 1nmr h PRO 20 CO -0.04 0.64 -0.00 1.49 -0.23 0.00 0.00 178.00 179.86 1nmr h GLU 21 N 0.32 -0.01 0.31 0.86 4.81 -1.92 -2.91 114.58 116.05 1nmr h GLU 21 Ca 0.04 0.00 -0.02 0.00 -0.13 0.00 0.00 59.36 59.26 1nmr h GLU 21 Cb 0.69 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.08 1nmr h GLU 21 CO 0.05 0.52 -0.15 1.96 -0.73 0.00 0.00 179.01 180.67 1nmr h GLN 22 N -0.54 -0.40 -0.90 1.92 1.08 -1.53 -3.18 115.11 111.57 1nmr h GLN 22 Ca -0.00 0.03 0.24 0.00 -1.45 0.00 0.00 58.65 57.46 1nmr h GLN 22 Cb 0.53 0.09 -0.16 0.00 -0.05 0.00 0.00 27.48 27.89 1nmr h GLN 22 CO 0.00 -0.07 0.06 0.37 -0.95 0.00 0.00 178.83 178.24 1nmr h GLN 23 N -0.84 0.07 -0.89 1.46 5.75 -1.10 0.54 115.11 120.10 1nmr h GLN 23 Ca -0.04 -0.00 0.09 0.00 -0.15 0.00 0.00 58.65 58.54 1nmr h GLN 23 Cb 0.52 -0.02 -0.07 0.00 1.07 0.00 0.00 27.48 28.98 1nmr h GLN 23 CO 0.07 0.05 0.54 0.87 -2.65 0.00 0.00 178.83 177.71 1nmr h LYS 24 N 0.07 0.89 0.44 1.69 1.57 -1.52 -1.13 116.57 118.59 1nmr h LYS 24 Ca 0.54 -0.05 -0.01 0.00 -1.87 0.00 0.00 60.65 59.25 1nmr h LYS 24 Cb 1.07 -0.20 -0.01 0.00 0.08 0.00 0.00 32.23 33.17 1nmr h LYS 24 CO -0.80 0.59 -0.29 -0.91 -0.57 0.00 0.00 179.45 177.47 1nmr h ASN 25 N 0.92 -0.74 -1.00 0.86 2.35 0.11 -2.74 115.58 115.34 1nmr h ASN 25 Ca 0.42 0.05 0.07 0.00 -0.55 0.00 0.00 56.30 56.28 1nmr h ASN 25 Cb 0.32 0.23 -0.07 0.00 0.05 0.00 0.00 38.32 38.85 1nmr h ASN 25 CO -0.22 -0.45 0.65 1.62 -1.65 0.00 0.00 177.43 177.37 1nmr h VAL 26 N -0.71 1.08 -0.67 2.81 3.04 -1.14 -2.52 116.25 118.15 1nmr h VAL 26 Ca -0.05 -0.40 0.13 0.00 -1.01 0.00 0.00 66.70 65.37 1nmr h VAL 26 Cb 0.59 -0.19 -0.13 0.00 -2.01 0.00 0.00 31.29 29.55 1nmr h VAL 26 CO 0.03 0.21 -0.19 -0.07 -1.01 0.00 0.00 177.57 176.55 1nmr h LEU 27 N 1.17 -0.70 0.06 3.16 3.38 -0.90 0.11 115.31 121.59 1nmr h LEU 27 Ca 0.43 0.21 -0.00 0.00 0.09 0.00 0.00 57.88 58.61 1nmr h LEU 27 Cb 0.17 0.44 0.00 0.00 0.09 0.00 0.00 40.66 41.36 1nmr h LEU 27 CO -0.18 -0.24 -0.03 1.23 0.09 0.00 0.00 178.44 179.32 1nmr h GLY 28 N -0.02 -0.08 0.61 0.83 0.00 -1.35 0.34 103.07 103.40 1nmr h GLY 28 Ca 0.31 0.03 0.01 0.00 0.00 0.00 0.00 47.33 47.68 1nmr h GLY 28 CO -0.70 -0.03 -0.27 0.83 0.00 0.00 0.00 176.54 176.38 1nmr h GLU 29 N -0.13 -0.50 0.00 4.80 4.39 -1.23 -0.12 114.58 121.77 1nmr h GLU 29 Ca -0.01 0.03 -0.00 0.00 0.34 0.00 0.00 59.36 59.73 1nmr h GLU 29 Cb 0.11 0.11 -0.00 0.00 -0.10 0.00 0.00 28.75 28.88 1nmr h GLU 29 CO 0.01 -0.34 -0.00 0.00 -1.16 0.00 0.00 179.01 177.53 1nmr h ARG 30 N -0.52 0.00 0.53 2.33 2.47 -0.78 -3.12 114.38 115.29 1nmr h ARG 30 Ca 0.01 0.00 -0.03 0.00 -1.26 0.00 0.00 59.98 58.71 1nmr h ARG 30 Cb 0.52 0.00 0.01 0.00 -1.65 0.00 0.00 29.97 28.84 1nmr h ARG 30 CO -0.11 0.00 -0.25 1.25 0.56 0.00 0.00 179.97 181.42 1nmr h LEU 31 N 0.00 -0.60 -1.73 3.04 5.85 0.15 -3.09 115.31 118.93 1nmr h LEU 31 Ca -0.00 0.02 0.31 0.00 0.84 0.00 0.00 57.88 59.05 1nmr h LEU 31 Cb 0.24 0.16 -0.07 0.00 0.37 0.00 0.00 40.66 41.36 1nmr h LEU 31 CO 0.00 -0.23 0.77 0.22 -0.34 0.00 0.00 178.44 178.86 1nmr h TYR 32 N -1.10 0.27 -0.46 1.25 5.03 -1.23 0.18 116.97 120.91 1nmr h TYR 32 Ca -0.07 0.01 -0.13 0.00 2.58 0.00 0.00 58.73 61.12 1nmr h TYR 32 Cb 0.54 -0.08 -0.01 0.00 1.55 0.00 0.00 36.73 38.73 1nmr h TYR 32 CO 0.01 0.02 -0.23 -0.97 -1.32 0.00 0.00 178.16 175.67 1nmr h ASN 33 N 0.16 0.97 -0.75 -2.11 -1.24 -1.56 1.88 115.58 112.92 1nmr h ASN 33 Ca 0.58 -0.37 -0.04 0.00 0.71 0.00 0.00 56.30 57.17 1nmr h ASN 33 Cb 1.95 -0.27 -0.03 0.00 0.73 0.00 0.00 38.32 40.70 1nmr h ASN 33 CO -0.13 1.15 0.31 1.12 -1.29 0.00 0.00 177.43 178.59 1nmr h HIS 34 N 0.82 1.14 0.00 0.67 2.07 -0.56 -3.27 115.15 116.01 1nmr h HIS 34 Ca 0.10 -0.08 -0.30 0.00 -2.85 0.00 0.00 60.37 57.25 1nmr h HIS 34 Cb 0.80 -0.34 -0.05 0.00 2.57 0.00 0.00 27.41 30.38 1nmr h HIS 34 CO 0.05 0.86 -2.07 1.51 -3.07 0.00 0.00 177.93 175.21 1nmr n ILE 35 N -4.33 1.31 -0.17 6.12 3.06 -1.07 -3.94 119.36 120.33 1nmr n ILE 35 Ca 0.06 -0.80 -0.02 0.00 -2.50 0.00 0.00 62.75 59.50 1nmr n ILE 35 Cb 0.17 -0.60 0.06 0.00 0.54 0.00 0.00 39.64 39.81 1nmr n ILE 35 CO 0.00 0.00 0.00 1.62 -2.50 0.00 0.00 176.55 175.67 1nmr h VAL 36 N 0.00 0.53 0.00 9.51 3.04 0.29 2.30 116.25 131.92 1nmr h VAL 36 Ca -0.39 -0.02 -0.12 0.00 -1.01 0.00 0.00 66.70 65.15 1nmr h VAL 36 Cb 2.01 0.46 -0.02 0.00 -2.01 0.00 0.00 31.29 31.73 1nmr h VAL 36 CO 0.04 0.01 -0.57 0.00 -1.01 0.00 0.00 177.57 176.04 1nmr h ALA 37 N 1.50 0.89 0.00 3.17 0.00 -1.78 -3.15 119.26 119.89 1nmr h ALA 37 Ca 0.27 -0.52 0.00 0.00 0.00 0.00 0.00 54.91 54.66 1nmr h ALA 37 Cb 0.41 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.11 1nmr h ALA 37 CO -0.49 0.71 -0.13 0.82 0.00 0.00 0.00 179.25 180.16 1nmr h ILE 38 N 0.00 0.00 -3.08 0.00 1.08 -1.00 -3.44 117.51 111.07 1nmr h ILE 38 Ca -0.01 -0.39 -0.62 0.00 -0.39 0.00 0.00 64.86 63.45 1nmr h ILE 38 Cb 1.13 0.00 -0.42 0.00 -3.07 0.00 0.00 36.82 34.46 1nmr h ILE 38 CO 0.07 0.00 -0.60 0.21 -0.69 0.00 0.00 178.15 177.15 1nmr s ASN 39 N -4.25 4.61 0.30 1.72 2.47 0.75 -4.95 114.94 115.59 1nmr s ASN 39 Ca -0.04 -3.73 0.05 0.00 0.42 0.00 0.00 52.86 49.56 1nmr s ASN 39 Cb 0.01 -1.57 0.69 0.00 -1.45 0.00 0.00 41.25 38.92 1nmr s ASN 39 CO 0.06 -0.10 1.80 -0.65 -3.72 0.00 0.00 177.10 174.48 1nmr h PRO 40 N 5.52 0.81 -1.93 0.43 0.11 -1.53 -1.98 132.00 133.43 1nmr h PRO 40 Ca 0.13 -0.05 -0.38 0.00 0.11 0.00 0.00 66.00 65.81 1nmr h PRO 40 Cb 0.78 -0.18 -0.14 0.00 0.11 0.00 0.00 31.00 31.56 1nmr h PRO 40 CO 0.70 0.54 0.20 0.00 -0.21 0.00 0.00 178.00 179.22 1nmr n ALA 41 N -2.34 6.14 0.00 -0.75 0.00 -1.26 -3.80 120.51 118.50 1nmr n ALA 41 Ca 0.22 -2.43 0.00 0.00 0.00 0.00 0.00 53.44 51.23 1nmr n ALA 41 Cb 0.50 -2.03 0.00 0.00 0.00 0.00 0.00 19.45 17.93 1nmr n ALA 41 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1nmr n ALA 42 N 1.20 0.08 -0.29 0.00 0.00 -0.78 -4.63 120.51 116.10 1nmr n ALA 42 Ca 0.43 0.00 0.01 0.00 0.00 0.00 0.00 53.44 53.88 1nmr n ALA 42 Cb 0.64 0.00 0.06 0.00 0.00 0.00 0.00 19.45 20.15 1nmr n ALA 42 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1nmr n ALA 43 N -1.88 -0.01 -0.29 0.00 0.00 -0.98 0.19 120.51 117.54 1nmr n ALA 43 Ca 0.00 0.79 0.08 0.00 0.00 0.00 0.00 53.44 54.31 1nmr n ALA 43 Cb 0.00 -0.39 0.23 0.00 0.00 0.00 0.00 19.45 19.29 1nmr n ALA 43 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1nmr h ALA 44 N 1.21 1.26 0.15 0.00 0.00 -1.89 0.78 119.26 120.77 1nmr h ALA 44 Ca 0.30 0.11 -0.23 0.00 0.00 0.00 0.00 54.91 55.09 1nmr h ALA 44 Cb 0.49 0.04 0.02 0.00 0.00 0.00 0.00 17.79 18.34 1nmr h ALA 44 CO -0.77 -0.17 -1.05 0.87 0.00 0.00 0.00 179.25 178.14 1nmr h LYS 45 N 0.54 0.33 0.51 0.00 1.79 0.16 -2.97 116.57 116.93 1nmr h LYS 45 Ca 0.47 -0.56 -0.03 0.00 -2.18 0.00 0.00 60.65 58.36 1nmr h LYS 45 Cb 0.73 0.21 0.01 0.00 -1.58 0.00 0.00 32.23 31.59 1nmr h LYS 45 CO -0.40 1.27 -0.25 0.28 -1.08 0.00 0.00 179.45 179.27 1nmr h VAL 46 N -0.28 0.47 -0.25 0.50 2.07 0.15 0.52 116.25 119.44 1nmr h VAL 46 Ca -0.19 -0.17 -0.00 0.00 0.82 0.00 0.00 66.70 67.15 1nmr h VAL 46 Cb 1.75 0.55 -0.01 0.00 -1.52 0.00 0.00 31.29 32.06 1nmr h VAL 46 CO 0.15 0.03 0.15 0.74 0.02 0.00 0.00 177.57 178.66 1nmr h THR 47 N -0.80 1.10 0.22 2.57 2.02 0.38 1.24 112.91 119.64 1nmr h THR 47 Ca -0.07 -0.24 -0.01 0.00 0.77 0.00 0.00 66.41 66.86 1nmr h THR 47 Cb 0.57 0.80 0.00 0.00 -1.74 0.00 0.00 68.15 67.79 1nmr h THR 47 CO 0.12 0.09 -0.10 1.23 0.37 0.00 0.00 175.52 177.23 1nmr h GLY 48 N 0.31 -0.30 0.56 2.16 0.00 -1.54 -3.35 103.07 100.91 1nmr h GLY 48 Ca 0.09 0.11 -0.00 0.00 0.00 0.00 0.00 47.33 47.53 1nmr h GLY 48 CO -0.02 -0.11 -0.03 -0.33 0.00 0.00 0.00 176.54 176.06 1nmr h MET 49 N -0.85 -0.07 0.00 4.80 2.07 0.00 -3.41 114.93 117.47 1nmr h MET 49 Ca -0.03 0.00 0.00 0.00 -2.07 0.00 0.00 59.70 57.60 1nmr h MET 49 Cb 0.51 0.02 0.00 0.00 -1.87 0.00 0.00 31.60 30.26 1nmr h MET 49 CO 0.05 0.36 0.00 -0.11 1.07 0.00 0.00 176.91 178.28 1nmr n LEU 50 N -4.91 0.00 -3.39 1.22 7.94 0.43 -3.02 117.00 115.26 1nmr n LEU 50 Ca -0.08 0.00 -0.32 0.00 -1.11 0.00 0.00 56.01 54.50 1nmr n LEU 50 Cb 0.24 0.00 -0.04 0.00 0.53 0.00 0.00 43.42 44.15 1nmr n LEU 50 CO 0.32 0.00 2.14 0.18 -1.11 0.00 0.00 177.39 178.92 1nmr n LEU 51 N 0.00 4.13 -4.95 -1.96 4.32 -1.26 -3.96 117.00 113.32 1nmr n LEU 51 Ca 0.00 -2.74 -0.27 0.00 -0.02 0.00 0.00 56.01 52.98 1nmr n LEU 51 Cb 0.00 -1.05 0.13 0.00 -1.62 0.00 0.00 43.42 40.88 1nmr n LEU 51 CO 0.00 -0.04 0.72 -1.61 -1.22 0.00 0.00 177.39 175.24 1nmr s GLU 52 N 4.37 1.40 0.01 3.23 0.41 -1.17 -4.89 118.70 122.06 1nmr s GLU 52 Ca 0.47 -0.52 -0.23 0.00 -0.41 0.00 0.00 54.97 54.27 1nmr s GLU 52 Cb 0.12 -2.06 -0.13 0.00 -1.78 0.00 0.00 34.13 30.28 1nmr s GLU 52 CO 0.05 -1.81 1.05 0.52 -0.49 0.00 0.00 175.26 174.59 1nmr h MET 53 N -1.04 -0.81 0.00 1.61 2.86 -1.94 -3.17 114.93 112.43 1nmr h MET 53 Ca -0.42 0.06 0.00 0.00 -2.06 0.00 0.00 59.70 57.27 1nmr h MET 53 Cb 1.27 0.18 0.00 0.00 0.06 0.00 0.00 31.60 33.11 1nmr h MET 53 CO 0.46 -0.54 0.00 -3.47 1.06 0.00 0.00 176.91 174.42 1nmr n ASP 54 N -4.98 0.00 -0.40 1.22 2.03 -1.26 -3.70 116.55 109.46 1nmr n ASP 54 Ca -0.10 0.05 0.39 0.00 0.52 0.00 0.00 54.79 55.64 1nmr n ASP 54 Cb 0.33 -0.12 0.73 0.00 -0.72 0.00 0.00 41.12 41.34 1nmr n ASP 54 CO 0.00 0.00 0.00 -1.13 -1.92 0.00 0.00 177.20 174.15 1nmr h ASN 55 N 0.00 0.00 0.33 1.67 -1.24 -1.94 0.43 115.58 114.84 1nmr h ASN 55 Ca 0.00 0.00 -0.02 0.00 0.71 0.00 0.00 56.30 56.99 1nmr h ASN 55 Cb 0.00 0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.05 1nmr h ASN 55 CO 0.00 0.00 -0.16 1.23 -1.29 0.00 0.00 177.43 177.21 1nmr h GLY 56 N 0.00 -0.46 -0.89 1.57 0.00 -1.67 -3.24 103.07 98.37 1nmr h GLY 56 Ca 0.64 0.17 0.18 0.00 0.00 0.00 0.00 47.33 48.32 1nmr h GLY 56 CO -0.01 -0.17 -0.23 1.18 0.00 0.00 0.00 176.54 177.32 1nmr n GLU 57 N -5.13 -0.08 -0.18 4.80 -0.58 0.14 0.14 120.64 119.74 1nmr n GLU 57 Ca -0.09 1.40 -0.01 0.00 -0.42 0.00 0.00 57.16 58.04 1nmr n GLU 57 Cb 0.27 -2.08 0.09 0.00 -0.57 0.00 0.00 31.44 29.15 1nmr n GLU 57 CO 0.00 0.00 0.00 0.82 -0.48 0.00 0.00 177.13 177.47 1nmr h ILE 58 N 0.00 0.69 -1.76 -3.67 2.04 -1.61 -1.22 117.51 111.99 1nmr h ILE 58 Ca 0.43 -0.09 0.53 0.00 1.00 0.00 0.00 64.86 66.73 1nmr h ILE 58 Cb 0.65 0.40 -0.10 0.00 -0.74 0.00 0.00 36.82 37.03 1nmr h ILE 58 CO -0.92 0.05 1.23 0.17 0.00 0.00 0.00 178.15 178.67 1nmr h LEU 59 N 0.27 0.07 -1.17 1.44 8.10 0.11 0.23 115.31 124.37 1nmr h LEU 59 Ca 0.29 0.05 0.14 0.00 0.11 0.00 0.00 57.88 58.48 1nmr h LEU 59 Cb 0.40 0.05 -0.02 0.00 -0.44 0.00 0.00 40.66 40.66 1nmr h LEU 59 CO -0.36 -0.09 0.86 -1.13 -4.11 0.00 0.00 178.44 173.61 1nmr h ASN 60 N 0.01 0.00 -1.93 0.17 -1.24 -1.23 0.55 115.58 111.91 1nmr h ASN 60 Ca 0.91 0.00 -0.65 0.00 0.71 0.00 0.00 56.30 57.27 1nmr h ASN 60 Cb 3.41 0.00 -0.38 0.00 0.73 0.00 0.00 38.32 42.09 1nmr h ASN 60 CO -0.17 0.00 -0.17 0.18 -1.29 0.00 0.00 177.43 175.98 1nmr n LEU 61 N -3.12 5.46 -2.00 0.34 4.32 0.81 -5.03 117.00 117.78 1nmr n LEU 61 Ca 0.10 -5.32 -0.13 0.00 -0.02 0.00 0.00 56.01 50.64 1nmr n LEU 61 Cb 1.02 -0.68 -0.09 0.00 -1.62 0.00 0.00 43.42 42.05 1nmr n LEU 61 CO 0.17 2.17 0.95 0.18 -1.22 0.00 0.00 177.39 179.65 1nmr n LEU 62 N -0.37 -0.34 -4.65 2.23 4.77 0.18 -4.83 117.00 114.00 1nmr n LEU 62 Ca 0.40 -0.12 -0.24 0.00 -0.03 0.00 0.00 56.01 56.02 1nmr n LEU 62 Cb 0.45 -0.30 -0.08 0.00 -2.33 0.00 0.00 43.42 41.16 1nmr n LEU 62 CO 0.39 -0.51 -0.29 -1.81 -1.33 0.00 0.00 177.39 173.84 1nmr s ASP 63 N 1.58 4.27 -0.07 -1.43 1.01 -1.26 -5.00 116.67 115.78 1nmr s ASP 63 Ca 0.59 -0.94 -0.23 0.00 0.71 0.00 0.00 52.55 52.68 1nmr s ASP 63 Cb -0.45 -0.57 -0.19 0.00 1.01 0.00 0.00 42.92 42.72 1nmr s ASP 63 CO 0.24 -0.24 0.92 0.74 0.21 0.00 0.00 175.17 177.04 1nmr h THR 64 N 1.77 1.19 0.06 -1.27 2.02 -1.97 -3.09 112.91 111.62 1nmr h THR 64 Ca -0.43 -1.43 -0.00 0.00 0.77 0.00 0.00 66.41 65.32 1nmr h THR 64 Cb 1.25 2.05 0.00 0.00 -1.74 0.00 0.00 68.15 69.71 1nmr h THR 64 CO 0.66 0.33 -0.03 1.55 0.37 0.00 0.00 175.52 178.40 1nmr h PRO 65 N -0.80 -0.08 -0.42 6.66 0.13 -1.97 -2.84 132.00 132.67 1nmr h PRO 65 Ca -0.01 0.01 0.05 0.00 -0.87 0.00 0.00 66.00 65.17 1nmr h PRO 65 Cb 0.61 0.02 -0.08 0.00 0.13 0.00 0.00 31.00 31.68 1nmr h PRO 65 CO 0.02 -0.05 -0.52 0.78 -0.23 0.00 0.00 178.00 177.99 1nmr h GLY 66 N -0.24 -1.08 0.00 1.56 0.00 -1.96 0.46 103.07 101.81 1nmr h GLY 66 Ca -0.01 0.74 0.00 0.00 0.00 0.00 0.00 47.33 48.06 1nmr h GLY 66 CO 0.01 -0.16 0.00 -0.10 0.00 0.00 0.00 176.54 176.30 1nmr n LEU 67 N -5.16 0.00 -0.02 3.11 -0.00 -1.17 0.10 117.00 113.87 1nmr n LEU 67 Ca -0.03 0.99 0.23 0.00 -0.00 0.00 0.00 56.01 57.20 1nmr n LEU 67 Cb 0.31 -0.49 0.64 0.00 -0.00 0.00 0.00 43.42 43.88 1nmr n LEU 67 CO -0.01 -0.49 1.21 0.25 -0.00 0.00 0.00 177.39 178.36 1nmr h LEU 68 N 0.00 0.00 0.00 -1.96 5.85 -1.44 1.32 115.31 119.08 1nmr h LEU 68 Ca 0.00 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.72 1nmr h LEU 68 Cb 0.00 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.03 1nmr h LEU 68 CO 0.00 0.00 -0.32 -0.78 -0.34 0.00 0.00 178.44 177.00 1nmr h ASP 69 N 0.00 0.00 0.26 1.25 3.58 0.31 -2.93 116.42 118.89 1nmr h ASP 69 Ca 0.31 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.76 1nmr h ASP 69 Cb 1.76 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.81 1nmr h ASP 69 CO -0.00 0.65 0.00 0.00 -2.88 0.00 0.00 179.24 177.01 1nmr h ALA 70 N -1.02 1.00 0.00 -0.78 0.00 0.14 -2.18 119.26 116.43 1nmr h ALA 70 Ca 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 54.91 54.88 1nmr h ALA 70 Cb 0.32 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.10 1nmr h ALA 70 CO 0.00 0.00 -0.21 0.87 0.00 0.00 0.00 179.25 179.91 1nmr h LYS 71 N 0.00 0.00 -0.60 0.00 1.79 0.16 -2.73 116.57 115.19 1nmr h LYS 71 Ca 0.00 0.00 0.01 0.00 -2.18 0.00 0.00 60.65 58.48 1nmr h LYS 71 Cb 0.13 0.00 -0.03 0.00 -1.58 0.00 0.00 32.23 30.75 1nmr h LYS 71 CO 0.00 0.44 0.39 -0.39 -1.08 0.00 0.00 179.45 178.81 1nmr h VAL 72 N -1.00 1.14 -0.11 0.50 -1.51 -1.36 -0.37 116.25 113.55 1nmr h VAL 72 Ca -0.04 -0.27 -0.04 0.00 -1.23 0.00 0.00 66.70 65.12 1nmr h VAL 72 Cb 0.54 0.27 -0.00 0.00 -2.13 0.00 0.00 31.29 29.98 1nmr h VAL 72 CO -0.02 0.15 -0.09 1.56 -1.23 0.00 0.00 177.57 177.94 1nmr h GLN 73 N 0.80 0.25 0.00 5.19 1.08 -1.58 0.14 115.11 120.99 1nmr h GLN 73 Ca 0.22 -0.12 -0.04 0.00 -1.45 0.00 0.00 58.65 57.26 1nmr h GLN 73 Cb -0.08 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 27.35 1nmr h GLN 73 CO -0.05 0.64 -0.19 1.49 -0.95 0.00 0.00 178.83 179.77 1nmr h GLU 74 N -0.14 0.00 0.06 1.46 4.22 -1.38 0.54 114.58 119.35 1nmr h GLU 74 Ca 0.02 0.00 -0.18 0.00 0.08 0.00 0.00 59.36 59.28 1nmr h GLU 74 Cb 0.58 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.83 1nmr h GLU 74 CO 0.02 0.19 -0.90 0.00 -2.18 0.00 0.00 179.01 176.14 1nmr h ALA 75 N 1.81 0.11 -0.10 2.92 0.00 -1.00 -3.02 119.26 119.98 1nmr h ALA 75 Ca -0.00 -0.89 -0.10 0.00 0.00 0.00 0.00 54.91 53.91 1nmr h ALA 75 Cb 0.35 0.35 -0.01 0.00 0.00 0.00 0.00 17.79 18.48 1nmr h ALA 75 CO 0.02 0.50 -0.41 -0.07 0.00 0.00 0.00 179.25 179.30 1nmr h LEU 76 N -0.66 0.23 -0.02 0.00 3.38 -0.62 0.94 115.31 118.54 1nmr h LEU 76 Ca -0.21 -0.09 -0.01 0.00 0.09 0.00 0.00 57.88 57.67 1nmr h LEU 76 Cb 1.43 -0.06 -0.00 0.00 0.09 0.00 0.00 40.66 42.12 1nmr h LEU 76 CO -0.00 0.62 -0.01 -0.08 0.09 0.00 0.00 178.44 179.05 1nmr h GLU 77 N 0.18 0.05 0.09 1.13 4.81 -0.04 -3.31 114.58 117.49 1nmr h GLU 77 Ca 0.02 -0.02 -0.16 0.00 -0.13 0.00 0.00 59.36 59.06 1nmr h GLU 77 Cb 0.80 -0.00 0.02 0.00 0.63 0.00 0.00 28.75 30.20 1nmr h GLU 77 CO 0.06 0.41 -0.70 -0.24 -0.73 0.00 0.00 179.01 177.81 1nmr h VAL 78 N -0.31 1.51 -1.33 0.32 3.04 -1.47 -3.50 116.25 114.50 1nmr h VAL 78 Ca 0.01 -2.39 0.00 0.00 -1.01 0.00 0.00 66.70 63.31 1nmr h VAL 78 Cb 0.39 3.04 0.00 0.00 -2.01 0.00 0.00 31.29 32.71 1nmr h VAL 78 CO 0.00 0.68 0.00 0.18 -1.01 0.00 0.00 177.57 177.42 1nmr n LEU 79 N -4.19 0.00 0.00 3.16 4.77 0.33 -2.73 117.00 118.34 1nmr n LEU 79 Ca -0.13 0.00 0.03 0.00 -0.03 0.00 0.00 56.01 55.89 1nmr n LEU 79 Cb 0.75 0.00 0.17 0.00 -2.33 0.00 0.00 43.42 42.01 1nmr n LEU 79 CO 0.47 -0.98 0.55 -3.20 -1.33 0.00 0.00 177.39 172.90 1nmr n ASN 80 N -3.29 0.00 -0.77 -1.43 4.05 -1.26 -3.46 115.26 109.10 1nmr n ASN 80 Ca 0.00 0.25 0.00 0.00 0.45 0.00 0.00 54.58 55.28 1nmr n ASN 80 Cb 0.00 -0.33 0.00 0.00 1.23 0.00 0.00 39.78 40.68 1nmr n ASN 80 CO 0.00 0.00 0.00 0.54 -3.05 0.00 0.00 177.26 174.75 1nmr n ARG 81 N -1.33 0.25 -2.36 1.20 5.12 -1.10 -4.77 116.66 113.67 1nmr n ARG 81 Ca 0.03 0.00 -0.42 0.00 -1.93 0.00 0.00 57.85 55.53 1nmr n ARG 81 Cb 0.06 -1.26 -0.03 0.00 -1.16 0.00 0.00 32.46 30.07 1nmr n ARG 81 CO 0.00 0.00 0.00 -1.58 -1.93 0.00 0.00 177.63 174.12 1nmr s HIS 82 N -0.05 3.14 0.04 -1.55 2.46 -1.22 -4.84 115.29 113.25 1nmr s HIS 82 Ca 0.00 1.09 0.00 0.00 0.47 0.00 0.00 55.06 56.62 1nmr s HIS 82 Cb 0.00 -3.52 0.00 0.00 -0.13 0.00 0.00 32.58 28.93 1nmr s HIS 82 CO 0.00 -1.74 0.00 -1.33 -2.47 0.00 0.00 174.74 169.20 1nmr n MET 83 N 4.90 0.00 0.00 2.88 2.81 -1.26 -5.08 117.12 121.37 1nmr n MET 83 Ca 0.11 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 56.00 1nmr n MET 83 Cb 0.45 0.00 0.00 0.00 -0.71 0.00 0.00 33.22 32.96 1nmr n MET 83 CO 0.00 0.00 0.00 0.09 1.51 0.00 0.00 175.97 177.57 1nmr n ASN 84 N -2.61 0.00 0.00 7.83 3.02 -1.26 -5.32 115.26 116.91 1nmr n ASN 84 Ca 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.55 1nmr n ASN 84 Cb 0.00 -0.10 0.00 0.00 -0.61 0.00 0.00 39.78 39.07 1nmr n ASN 84 CO 0.00 0.00 0.00 0.52 -2.62 0.00 0.00 177.26 175.16