#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1nmr h SER 2 N 0.00 0.09 -3.45 1.61 0.02 -2.12 -3.39 113.55 106.31 1nmr h SER 2 Ca 0.00 -0.06 -0.72 0.00 -0.84 0.00 0.00 61.79 60.17 1nmr h SER 2 Cb 0.00 -0.03 -0.31 0.00 0.14 0.00 0.00 62.40 62.21 1nmr h SER 2 CO 0.00 0.76 -0.38 -0.44 -1.14 0.00 0.00 176.83 175.62 1nmr s SER 3 N -6.85 5.65 0.56 3.07 0.01 -1.26 -5.08 113.70 109.80 1nmr s SER 3 Ca -0.02 -2.08 -0.20 0.00 1.31 0.00 0.00 55.95 54.96 1nmr s SER 3 Cb 0.12 -1.98 -0.05 0.00 0.21 0.00 0.00 66.02 64.32 1nmr s SER 3 CO 0.79 -0.63 1.18 -0.76 0.41 0.00 0.00 173.24 174.22 1nmr s LEU 4 N 1.10 3.74 -0.67 2.44 2.01 -1.26 -4.91 118.68 121.13 1nmr s LEU 4 Ca 0.08 2.31 -0.05 0.00 0.01 0.00 0.00 54.13 56.48 1nmr s LEU 4 Cb -0.24 -4.55 -0.01 0.00 0.01 0.00 0.00 46.19 41.41 1nmr s LEU 4 CO -0.02 -1.37 2.87 0.00 1.01 0.00 0.00 176.35 178.84 1nmr n ALA 5 N -1.34 6.63 -2.69 4.21 0.00 -1.26 -4.89 120.51 121.16 1nmr n ALA 5 Ca 0.12 -3.09 -0.42 0.00 0.00 0.00 0.00 53.44 50.05 1nmr n ALA 5 Cb 0.50 -2.44 -0.03 0.00 0.00 0.00 0.00 19.45 17.48 1nmr n ALA 5 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 1nmr s SER 6 N 0.85 6.27 0.00 0.00 0.01 -1.26 -4.86 113.70 114.71 1nmr s SER 6 Ca 0.60 -0.96 0.00 0.00 1.31 0.00 0.00 55.95 56.91 1nmr s SER 6 Cb 0.31 -2.50 0.00 0.00 0.21 0.00 0.00 66.02 64.04 1nmr s SER 6 CO -0.13 -1.58 0.00 1.67 0.41 0.00 0.00 173.24 173.61 1nmr n GLN 7 N 8.48 0.00 0.00 12.44 7.27 -1.26 -5.04 117.38 139.27 1nmr n GLN 7 Ca 0.08 0.20 0.00 0.00 0.07 0.00 0.00 57.00 57.35 1nmr n GLN 7 Cb 0.48 -0.67 0.00 0.00 2.41 0.00 0.00 30.24 32.46 1nmr n GLN 7 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 1nmr n GLY 8 N 1.81 0.65 0.18 1.69 0.00 -1.26 -5.14 105.19 103.12 1nmr n GLY 8 Ca 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.01 1nmr n GLY 8 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1nmr n GLN 9 N 0.00 1.16 0.00 1.61 1.13 -1.26 -5.01 117.38 115.01 1nmr n GLN 9 Ca 0.00 -0.15 0.00 0.00 -1.94 0.00 0.00 57.00 54.91 1nmr n GLN 9 Cb 0.00 -0.00 0.00 0.00 0.11 0.00 0.00 30.24 30.35 1nmr n GLN 9 CO 0.00 0.00 0.00 0.09 -1.44 0.00 0.00 177.06 175.71 1nmr n ASN 10 N -2.60 0.00 0.16 1.08 4.13 -1.26 -3.22 115.26 113.55 1nmr n ASN 10 Ca 0.00 0.72 0.19 0.00 1.68 0.00 0.00 54.58 57.17 1nmr n ASN 10 Cb 0.03 -0.32 0.75 0.00 -1.54 0.00 0.00 39.78 38.70 1nmr n ASN 10 CO 0.00 0.00 0.00 0.17 0.28 0.00 0.00 177.26 177.71 1nmr h LEU 11 N 0.00 0.00 0.03 3.41 8.10 -1.98 -2.37 115.31 122.50 1nmr h LEU 11 Ca 0.00 0.00 0.03 0.00 0.11 0.00 0.00 57.88 58.02 1nmr h LEU 11 Cb 0.00 0.00 -0.05 0.00 -0.44 0.00 0.00 40.66 40.17 1nmr h LEU 11 CO 0.00 0.00 -0.44 -1.28 -4.11 0.00 0.00 178.44 172.61 1nmr h SER 12 N 0.00 -1.33 0.11 0.17 0.87 -1.94 0.68 113.55 112.11 1nmr h SER 12 Ca 0.14 0.16 -0.17 0.00 -1.23 0.00 0.00 61.79 60.69 1nmr h SER 12 Cb 0.99 0.51 -0.01 0.00 -0.44 0.00 0.00 62.40 63.46 1nmr h SER 12 CO -0.00 -0.48 -0.62 0.74 -0.53 0.00 0.00 176.83 175.94 1nmr h THR 13 N -0.61 1.34 -0.41 2.23 2.02 -1.48 -2.28 112.91 113.72 1nmr h THR 13 Ca 0.04 -1.91 -0.00 0.00 0.77 0.00 0.00 66.41 65.30 1nmr h THR 13 Cb 0.68 1.89 -0.02 0.00 -1.74 0.00 0.00 68.15 68.96 1nmr h THR 13 CO -0.31 0.59 0.24 0.58 0.37 0.00 0.00 175.52 176.99 1nmr h VAL 14 N 0.37 1.13 0.00 3.16 2.07 -1.23 -1.53 116.25 120.22 1nmr h VAL 14 Ca -0.01 -0.32 0.00 0.00 0.82 0.00 0.00 66.70 67.20 1nmr h VAL 14 Cb 1.17 0.61 0.00 0.00 -1.52 0.00 0.00 31.29 31.55 1nmr h VAL 14 CO 0.11 0.14 0.00 0.18 0.02 0.00 0.00 177.57 178.02 1nmr n LEU 15 N -4.76 0.00 0.22 2.57 4.32 0.23 -3.38 117.00 116.20 1nmr n LEU 15 Ca 0.00 0.29 0.15 0.00 -0.02 0.00 0.00 56.01 56.44 1nmr n LEU 15 Cb 0.06 -0.29 0.71 0.00 -1.62 0.00 0.00 43.42 42.27 1nmr n LEU 15 CO 0.35 -0.01 0.95 0.00 -1.22 0.00 0.00 177.39 177.46 1nmr h ALA 16 N 3.38 1.00 0.00 -1.18 0.00 -0.66 -1.63 119.26 120.16 1nmr h ALA 16 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1nmr h ALA 16 Cb 0.28 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.07 1nmr h ALA 16 CO 0.00 0.00 -0.44 -0.97 0.00 0.00 0.00 179.25 177.84 1nmr h ASN 17 N 0.00 0.00 -1.57 0.00 -0.73 -1.67 -3.33 115.58 108.27 1nmr h ASN 17 Ca 0.00 -0.02 -0.66 0.00 1.87 0.00 0.00 56.30 57.49 1nmr h ASN 17 Cb 0.25 0.00 -0.35 0.00 0.27 0.00 0.00 38.32 38.49 1nmr h ASN 17 CO 0.00 0.01 0.11 0.18 -0.37 0.00 0.00 177.43 177.36 1nmr n LEU 18 N -2.79 6.11 -0.04 0.34 7.99 -0.61 -4.73 117.00 123.28 1nmr n LEU 18 Ca 0.03 -4.93 -0.16 0.00 -0.01 0.00 0.00 56.01 50.93 1nmr n LEU 18 Cb 0.52 -0.73 -0.13 0.00 -0.11 0.00 0.00 43.42 42.97 1nmr n LEU 18 CO 0.36 1.97 0.25 0.74 -1.51 0.00 0.00 177.39 179.20 1nmr h THR 19 N 2.16 1.67 -0.29 -5.08 2.02 -1.68 -3.16 112.91 108.56 1nmr h THR 19 Ca 0.44 -2.40 -0.10 0.00 0.77 0.00 0.00 66.41 65.12 1nmr h THR 19 Cb 0.63 3.29 -0.01 0.00 -1.74 0.00 0.00 68.15 70.32 1nmr h THR 19 CO 1.14 0.63 -0.24 1.55 0.37 0.00 0.00 175.52 178.97 1nmr h PRO 20 N -0.81 0.56 -0.50 6.66 0.13 -1.91 0.87 132.00 137.00 1nmr h PRO 20 Ca -0.06 -0.21 -0.07 0.00 -0.87 0.00 0.00 66.00 64.79 1nmr h PRO 20 Cb 1.21 -0.03 -0.02 0.00 0.13 0.00 0.00 31.00 32.29 1nmr h PRO 20 CO 0.04 0.76 0.03 1.49 -0.23 0.00 0.00 178.00 180.09 1nmr h GLU 21 N 0.49 0.86 0.02 0.86 4.81 -1.91 -3.00 114.58 116.72 1nmr h GLU 21 Ca 0.07 -0.26 -0.19 0.00 -0.13 0.00 0.00 59.36 58.85 1nmr h GLU 21 Cb 0.68 -0.09 0.02 0.00 0.63 0.00 0.00 28.75 29.99 1nmr h GLU 21 CO 0.05 0.88 -0.76 1.96 -0.73 0.00 0.00 179.01 180.41 1nmr h GLN 22 N 0.73 0.48 -0.81 1.92 1.08 -1.49 -3.28 115.11 113.74 1nmr h GLN 22 Ca 0.15 -0.54 0.20 0.00 -1.45 0.00 0.00 58.65 57.00 1nmr h GLN 22 Cb 0.47 0.16 -0.13 0.00 -0.05 0.00 0.00 27.48 27.92 1nmr h GLN 22 CO 0.02 1.18 0.10 0.37 -0.95 0.00 0.00 178.83 179.55 1nmr h GLN 23 N 0.01 0.15 -0.30 1.46 4.15 -0.81 0.83 115.11 120.60 1nmr h GLN 23 Ca -0.10 -0.01 -0.00 0.00 0.77 0.00 0.00 58.65 59.31 1nmr h GLN 23 Cb 1.46 -0.03 -0.01 0.00 0.21 0.00 0.00 27.48 29.10 1nmr h GLN 23 CO 0.15 0.10 0.18 0.87 -1.93 0.00 0.00 178.83 178.19 1nmr h LYS 24 N 0.15 0.40 0.48 1.69 1.79 -1.61 0.31 116.57 119.79 1nmr h LYS 24 Ca 0.47 -0.04 -0.02 0.00 -2.18 0.00 0.00 60.65 58.88 1nmr h LYS 24 Cb 0.87 -0.08 -0.00 0.00 -1.58 0.00 0.00 32.23 31.43 1nmr h LYS 24 CO -0.66 0.31 -0.29 -0.91 -1.08 0.00 0.00 179.45 176.82 1nmr h ASN 25 N 0.38 -0.73 -0.71 0.86 4.21 -0.98 -2.50 115.58 116.10 1nmr h ASN 25 Ca 0.11 0.04 0.04 0.00 1.21 0.00 0.00 56.30 57.69 1nmr h ASN 25 Cb 0.01 0.22 -0.05 0.00 -1.12 0.00 0.00 38.32 37.38 1nmr h ASN 25 CO -0.02 -0.47 0.44 1.62 -1.29 0.00 0.00 177.43 177.72 1nmr h VAL 26 N -0.74 1.08 -0.60 2.81 3.04 -0.99 -2.65 116.25 118.20 1nmr h VAL 26 Ca -0.06 -0.29 0.11 0.00 -1.01 0.00 0.00 66.70 65.45 1nmr h VAL 26 Cb 0.60 0.15 -0.12 0.00 -2.01 0.00 0.00 31.29 29.91 1nmr h VAL 26 CO 0.06 0.16 -0.30 -0.07 -1.01 0.00 0.00 177.57 176.40 1nmr h LEU 27 N 0.86 -1.06 -0.08 3.16 3.38 -0.10 0.17 115.31 121.63 1nmr h LEU 27 Ca 0.29 0.22 -0.00 0.00 0.09 0.00 0.00 57.88 58.48 1nmr h LEU 27 Cb 0.05 0.54 -0.00 0.00 0.09 0.00 0.00 40.66 41.34 1nmr h LEU 27 CO -0.12 -0.29 0.05 1.23 0.09 0.00 0.00 178.44 179.40 1nmr h GLY 28 N -0.14 0.12 0.63 0.83 0.00 -1.11 0.50 103.07 103.90 1nmr h GLY 28 Ca 0.25 -0.05 0.01 0.00 0.00 0.00 0.00 47.33 47.53 1nmr h GLY 28 CO -0.68 0.05 -0.29 0.83 0.00 0.00 0.00 176.54 176.45 1nmr h GLU 29 N 0.06 -0.56 0.00 4.80 4.39 -1.05 -0.65 114.58 121.57 1nmr h GLU 29 Ca 0.03 0.04 -0.00 0.00 0.34 0.00 0.00 59.36 59.76 1nmr h GLU 29 Cb 0.06 0.13 -0.00 0.00 -0.10 0.00 0.00 28.75 28.84 1nmr h GLU 29 CO -0.01 -0.37 -0.02 0.00 -1.16 0.00 0.00 179.01 177.45 1nmr h ARG 30 N -0.58 0.00 0.50 2.33 2.47 -0.66 -3.17 114.38 115.27 1nmr h ARG 30 Ca 0.00 0.00 -0.02 0.00 -1.26 0.00 0.00 59.98 58.70 1nmr h ARG 30 Cb 0.55 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.88 1nmr h ARG 30 CO -0.09 0.02 -0.24 1.25 0.56 0.00 0.00 179.97 181.47 1nmr h LEU 31 N 0.00 -0.57 -1.65 3.04 5.85 0.12 -3.01 115.31 119.08 1nmr h LEU 31 Ca -0.00 0.01 0.29 0.00 0.84 0.00 0.00 57.88 59.02 1nmr h LEU 31 Cb 0.39 0.15 -0.07 0.00 0.37 0.00 0.00 40.66 41.50 1nmr h LEU 31 CO 0.00 -0.15 0.73 0.22 -0.34 0.00 0.00 178.44 178.90 1nmr h TYR 32 N -1.17 0.36 -0.48 1.25 5.03 -1.15 0.14 116.97 120.95 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 0.53 -0.10 -0.01 0.00 1.55 0.00 0.00 36.73 38.69 1nmr h TYR 32 CO 0.00 0.03 -0.22 -0.97 -1.32 0.00 0.00 178.16 175.68 1nmr h ASN 33 N 0.21 1.02 -0.81 -2.11 -1.24 -1.56 2.19 115.58 113.29 1nmr h ASN 33 Ca 0.57 -0.39 -0.04 0.00 0.71 0.00 0.00 56.30 57.15 1nmr h ASN 33 Cb 1.80 -0.28 -0.04 0.00 0.73 0.00 0.00 38.32 40.53 1nmr h ASN 33 CO -0.16 1.19 0.35 1.12 -1.29 0.00 0.00 177.43 178.63 1nmr h HIS 34 N 0.85 1.20 0.00 0.67 2.07 -0.59 -3.20 115.15 116.15 1nmr h HIS 34 Ca 0.11 -0.08 -0.06 0.00 -2.85 0.00 0.00 60.37 57.49 1nmr h HIS 34 Cb 0.80 -0.36 -0.01 0.00 2.57 0.00 0.00 27.41 30.41 1nmr h HIS 34 CO 0.05 0.90 -1.81 1.51 -3.07 0.00 0.00 177.93 175.51 1nmr n ILE 35 N -4.30 0.38 -0.04 6.12 3.06 -1.04 -4.05 119.36 119.50 1nmr n ILE 35 Ca 0.07 -0.57 -0.08 0.00 -2.50 0.00 0.00 62.75 59.67 1nmr n ILE 35 Cb 0.17 -0.18 -0.03 0.00 0.54 0.00 0.00 39.64 40.14 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 0.76 0.00 9.51 3.04 0.36 1.49 116.25 131.42 1nmr h VAL 36 Ca -0.08 0.00 -0.13 0.00 -1.01 0.00 0.00 66.70 65.48 1nmr h VAL 36 Cb 1.20 0.76 -0.02 0.00 -2.01 0.00 0.00 31.29 31.22 1nmr h VAL 36 CO 0.01 0.00 -0.62 0.00 -1.01 0.00 0.00 177.57 175.94 1nmr h ALA 37 N 1.16 0.88 0.00 3.17 0.00 -1.79 -3.13 119.26 119.55 1nmr h ALA 37 Ca 0.10 -0.57 0.00 0.00 0.00 0.00 0.00 54.91 54.44 1nmr h ALA 37 Cb 0.18 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.87 1nmr h ALA 37 CO -0.22 0.78 -0.01 0.82 0.00 0.00 0.00 179.25 180.62 1nmr h ILE 38 N 0.00 0.00 -3.08 0.00 1.08 -1.49 -3.44 117.51 110.58 1nmr h ILE 38 Ca -0.01 -0.10 -0.62 0.00 -0.39 0.00 0.00 64.86 63.75 1nmr h ILE 38 Cb 1.17 0.00 -0.41 0.00 -3.07 0.00 0.00 36.82 34.51 1nmr h ILE 38 CO 0.08 0.00 -0.65 0.21 -0.69 0.00 0.00 178.15 177.10 1nmr s ASN 39 N -3.36 4.16 0.29 1.72 2.47 0.50 -4.96 114.94 115.76 1nmr s ASN 39 Ca -0.00 -3.36 0.02 0.00 0.42 0.00 0.00 52.86 49.94 1nmr s ASN 39 Cb 0.00 -1.42 0.59 0.00 -1.45 0.00 0.00 41.25 38.97 1nmr s ASN 39 CO 0.01 -0.16 1.83 -0.65 -3.72 0.00 0.00 177.10 174.40 1nmr h PRO 40 N 5.93 0.93 -1.97 0.43 0.11 -1.48 -2.35 132.00 133.59 1nmr h PRO 40 Ca 0.07 -0.06 -0.10 0.00 0.11 0.00 0.00 66.00 66.03 1nmr h PRO 40 Cb 0.83 -0.21 -0.04 0.00 0.11 0.00 0.00 31.00 31.70 1nmr h PRO 40 CO 0.64 0.62 -0.10 0.00 -0.21 0.00 0.00 178.00 178.94 1nmr n ALA 41 N -2.35 4.97 0.00 -0.75 0.00 -1.26 -3.51 120.51 117.61 1nmr n ALA 41 Ca 0.20 -0.82 0.00 0.00 0.00 0.00 0.00 53.44 52.81 1nmr n ALA 41 Cb 0.39 -1.52 0.00 0.00 0.00 0.00 0.00 19.45 18.32 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 1.77 0.07 -0.31 0.00 0.00 -0.91 -4.61 120.51 116.51 1nmr n ALA 42 Ca 0.18 0.00 -0.01 0.00 0.00 0.00 0.00 53.44 53.61 1nmr n ALA 42 Cb 0.65 0.00 0.02 0.00 0.00 0.00 0.00 19.45 20.13 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 -1.78 -0.13 -0.33 0.00 0.00 -1.04 0.18 120.51 117.41 1nmr n ALA 43 Ca 0.00 0.79 0.16 0.00 0.00 0.00 0.00 53.44 54.39 1nmr n ALA 43 Cb 0.00 -0.34 0.38 0.00 0.00 0.00 0.00 19.45 19.49 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 1.05 1.84 0.08 0.00 0.00 -1.90 1.16 119.26 121.50 1nmr h ALA 44 Ca 0.27 0.08 -0.19 0.00 0.00 0.00 0.00 54.91 55.07 1nmr h ALA 44 Cb 0.47 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 18.21 1nmr h ALA 44 CO -0.79 -0.22 -0.94 0.87 0.00 0.00 0.00 179.25 178.16 1nmr h LYS 45 N 0.64 0.16 0.05 0.00 1.79 0.15 -3.03 116.57 116.33 1nmr h LYS 45 Ca 0.58 -0.28 -0.00 0.00 -2.18 0.00 0.00 60.65 58.77 1nmr h LYS 45 Cb 1.07 0.10 0.00 0.00 -1.58 0.00 0.00 32.23 31.83 1nmr h LYS 45 CO -0.36 1.13 -0.03 0.28 -1.08 0.00 0.00 179.45 179.40 1nmr h VAL 46 N -0.59 0.98 0.22 0.50 2.07 0.14 0.59 116.25 120.16 1nmr h VAL 46 Ca -0.21 -0.09 -0.01 0.00 0.82 0.00 0.00 66.70 67.21 1nmr h VAL 46 Cb 1.49 1.04 0.00 0.00 -1.52 0.00 0.00 31.29 32.30 1nmr h VAL 46 CO 0.02 0.02 -0.11 0.74 0.02 0.00 0.00 177.57 178.27 1nmr h THR 47 N -0.11 0.77 0.28 2.57 2.02 0.12 1.48 112.91 120.03 1nmr h THR 47 Ca -0.01 0.00 -0.01 0.00 0.77 0.00 0.00 66.41 67.16 1nmr h THR 47 Cb 0.09 0.77 0.00 0.00 -1.74 0.00 0.00 68.15 67.28 1nmr h THR 47 CO 0.01 0.00 -0.13 1.23 0.37 0.00 0.00 175.52 177.00 1nmr h GLY 48 N -0.31 -0.39 0.59 2.16 0.00 -1.49 -3.33 103.07 100.30 1nmr h GLY 48 Ca -0.03 0.15 -0.00 0.00 0.00 0.00 0.00 47.33 47.45 1nmr h GLY 48 CO 0.04 -0.14 -0.00 -0.33 0.00 0.00 0.00 176.54 176.11 1nmr h MET 49 N -0.82 0.00 0.00 4.80 2.07 0.13 -3.41 114.93 117.71 1nmr h MET 49 Ca -0.04 -0.00 0.00 0.00 -2.07 0.00 0.00 59.70 57.59 1nmr h MET 49 Cb 0.51 -0.00 0.00 0.00 -1.87 0.00 0.00 31.60 30.24 1nmr h MET 49 CO 0.06 0.42 0.00 -0.11 1.07 0.00 0.00 176.91 178.35 1nmr n LEU 50 N -4.89 0.00 -3.59 1.22 7.94 0.50 -3.07 117.00 115.12 1nmr n LEU 50 Ca -0.08 0.00 -0.41 0.00 -1.11 0.00 0.00 56.01 54.41 1nmr n LEU 50 Cb 0.22 0.00 -0.04 0.00 0.53 0.00 0.00 43.42 44.13 1nmr n LEU 50 CO 0.33 0.00 2.27 0.18 -1.11 0.00 0.00 177.39 179.06 1nmr n LEU 51 N 0.00 4.75 -4.97 -1.96 4.32 -1.26 -3.87 117.00 114.00 1nmr n LEU 51 Ca 0.00 -3.14 -0.25 0.00 -0.02 0.00 0.00 56.01 52.60 1nmr n LEU 51 Cb 0.00 -1.21 0.12 0.00 -1.62 0.00 0.00 43.42 40.71 1nmr n LEU 51 CO 0.00 0.04 0.62 -1.61 -1.22 0.00 0.00 177.39 175.22 1nmr s GLU 52 N 4.47 1.49 0.01 3.23 0.41 -1.17 -4.86 118.70 122.27 1nmr s GLU 52 Ca 0.54 -0.90 -0.22 0.00 -0.41 0.00 0.00 54.97 53.97 1nmr s GLU 52 Cb 0.14 -2.22 -0.12 0.00 -1.78 0.00 0.00 34.13 30.15 1nmr s GLU 52 CO 0.06 -1.64 1.02 0.52 -0.49 0.00 0.00 175.26 174.74 1nmr h MET 53 N -0.77 -0.78 0.00 1.61 2.86 -1.94 -2.99 114.93 112.91 1nmr h MET 53 Ca -0.39 0.05 0.00 0.00 -2.06 0.00 0.00 59.70 57.31 1nmr h MET 53 Cb 1.26 0.18 0.00 0.00 0.06 0.00 0.00 31.60 33.10 1nmr h MET 53 CO 0.41 -0.52 0.00 -0.40 1.06 0.00 0.00 176.91 177.46 1nmr n ASP 54 N -4.93 0.00 -0.09 1.22 5.75 -1.26 -3.71 116.55 113.54 1nmr n ASP 54 Ca -0.10 0.18 0.26 0.00 -0.01 0.00 0.00 54.79 55.12 1nmr n ASP 54 Cb 0.32 -0.30 0.70 0.00 -1.03 0.00 0.00 41.12 40.80 1nmr n ASP 54 CO 0.00 0.00 0.00 -1.13 -0.11 0.00 0.00 177.20 175.96 1nmr h ASN 55 N 0.00 0.00 0.69 -1.12 -1.24 -1.93 -2.15 115.58 109.84 1nmr h ASN 55 Ca 0.00 0.00 -0.03 0.00 0.71 0.00 0.00 56.30 56.98 1nmr h ASN 55 Cb 0.00 0.00 0.01 0.00 0.73 0.00 0.00 38.32 39.06 1nmr h ASN 55 CO 0.00 0.00 -0.33 1.23 -1.29 0.00 0.00 177.43 177.04 1nmr h GLY 56 N 0.00 -0.97 -0.90 1.57 0.00 -1.63 -3.17 103.07 97.96 1nmr h GLY 56 Ca 0.36 0.36 0.18 0.00 0.00 0.00 0.00 47.33 48.22 1nmr h GLY 56 CO -0.00 -0.35 -0.24 1.18 0.00 0.00 0.00 176.54 177.12 1nmr n GLU 57 N -5.39 -0.10 -0.19 4.80 -0.58 -0.81 0.13 120.64 118.50 1nmr n GLU 57 Ca -0.12 1.41 -0.00 0.00 -0.42 0.00 0.00 57.16 58.03 1nmr n GLU 57 Cb 0.37 -2.10 0.10 0.00 -0.57 0.00 0.00 31.44 29.24 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 0.68 -1.27 -3.67 5.03 -1.62 -1.13 117.51 115.53 1nmr h ILE 58 Ca 0.42 -0.09 0.45 0.00 -0.12 0.00 0.00 64.86 65.51 1nmr h ILE 58 Cb 0.64 0.38 -0.14 0.00 -3.03 0.00 0.00 36.82 34.67 1nmr h ILE 58 CO -0.93 0.05 0.80 0.00 -0.68 0.00 0.00 178.15 177.40 1nmr n LEU 59 N -5.11 0.21 -0.05 1.44 -0.00 0.35 0.19 117.00 114.04 1nmr n LEU 59 Ca 0.08 1.34 0.24 0.00 -0.00 0.00 0.00 56.01 57.67 1nmr n LEU 59 Cb 0.30 -0.66 0.57 0.00 -0.00 0.00 0.00 43.42 43.63 1nmr n LEU 59 CO 0.18 -1.46 1.21 -1.13 -0.00 0.00 0.00 177.39 176.20 1nmr h ASN 60 N 0.00 0.00 -2.08 1.45 -0.73 -1.20 -0.99 115.58 112.03 1nmr h ASN 60 Ca 0.83 0.00 -0.71 0.00 1.87 0.00 0.00 56.30 58.29 1nmr h ASN 60 Cb 2.63 0.00 -0.33 0.00 0.27 0.00 0.00 38.32 40.88 1nmr h ASN 60 CO -0.47 0.00 0.33 0.18 -0.37 0.00 0.00 177.43 177.10 1nmr n LEU 61 N -3.39 6.25 -2.35 0.34 4.77 0.13 -5.02 117.00 117.73 1nmr n LEU 61 Ca 0.15 -5.31 -0.17 0.00 -0.03 0.00 0.00 56.01 50.65 1nmr n LEU 61 Cb 1.10 -0.88 -0.10 0.00 -2.33 0.00 0.00 43.42 41.21 1nmr n LEU 61 CO 0.24 2.09 1.13 0.18 -1.33 0.00 0.00 177.39 179.70 1nmr n LEU 62 N -0.29 -0.24 -4.56 2.23 4.77 -0.38 -4.81 117.00 113.73 1nmr n LEU 62 Ca 0.43 -0.07 -0.24 0.00 -0.03 0.00 0.00 56.01 56.10 1nmr n LEU 62 Cb 0.35 -0.39 -0.09 0.00 -2.33 0.00 0.00 43.42 40.96 1nmr n LEU 62 CO 0.44 -0.53 -0.40 -0.62 -1.33 0.00 0.00 177.39 174.95 1nmr s ASP 63 N 2.72 4.12 -0.05 -1.43 2.15 -1.26 -5.01 116.67 117.92 1nmr s ASP 63 Ca 0.70 -0.77 -0.25 0.00 0.43 0.00 0.00 52.55 52.66 1nmr s ASP 63 Cb -0.57 -0.61 -0.22 0.00 -0.30 0.00 0.00 42.92 41.22 1nmr s ASP 63 CO 0.27 0.04 1.10 0.74 -0.17 0.00 0.00 175.17 177.15 1nmr h THR 64 N 2.24 1.52 0.01 1.71 2.02 -1.98 -3.10 112.91 115.32 1nmr h THR 64 Ca -0.43 -1.70 -0.00 0.00 0.77 0.00 0.00 66.41 65.05 1nmr h THR 64 Cb 1.24 2.58 0.00 0.00 -1.74 0.00 0.00 68.15 70.23 1nmr h THR 64 CO 0.58 0.46 -0.00 1.55 0.37 0.00 0.00 175.52 178.48 1nmr h PRO 65 N -0.51 -0.01 -0.35 6.66 0.13 -1.97 -3.16 132.00 132.79 1nmr h PRO 65 Ca -0.01 0.00 0.04 0.00 -0.87 0.00 0.00 66.00 65.16 1nmr h PRO 65 Cb 0.82 0.00 -0.08 0.00 0.13 0.00 0.00 31.00 31.87 1nmr h PRO 65 CO 0.03 -0.00 -0.53 0.78 -0.23 0.00 0.00 178.00 178.04 1nmr h GLY 66 N -0.03 -1.07 0.00 1.56 0.00 -1.96 0.22 103.07 101.79 1nmr h GLY 66 Ca -0.00 0.72 0.00 0.00 0.00 0.00 0.00 47.33 48.05 1nmr h GLY 66 CO 0.00 -0.16 0.00 1.04 0.00 0.00 0.00 176.54 177.42 1nmr n LEU 67 N -5.26 0.00 -0.06 3.11 7.99 -1.17 0.62 117.00 122.22 1nmr n LEU 67 Ca -0.04 0.98 0.25 0.00 -0.01 0.00 0.00 56.01 57.20 1nmr n LEU 67 Cb 0.33 -0.48 0.67 0.00 -0.11 0.00 0.00 43.42 43.83 1nmr n LEU 67 CO 0.02 -0.48 1.23 -0.07 -1.51 0.00 0.00 177.39 176.57 1nmr h LEU 68 N 0.00 0.00 0.04 2.23 4.07 -1.50 1.58 115.31 121.73 1nmr h LEU 68 Ca 0.00 0.00 -0.00 0.00 0.08 0.00 0.00 57.88 57.96 1nmr h LEU 68 Cb 0.00 0.00 0.00 0.00 1.08 0.00 0.00 40.66 41.74 1nmr h LEU 68 CO 0.00 0.00 -0.02 -0.78 -1.08 0.00 0.00 178.44 176.56 1nmr h ASP 69 N 0.00 -0.04 0.35 -0.43 3.58 0.47 -3.06 116.42 117.28 1nmr h ASP 69 Ca 0.34 -0.01 0.00 0.00 0.42 0.00 0.00 57.03 57.78 1nmr h ASP 69 Cb 1.76 0.01 0.00 0.00 1.72 0.00 0.00 39.33 42.82 1nmr h ASP 69 CO -0.00 0.46 0.00 0.00 -2.88 0.00 0.00 179.24 176.81 1nmr n ALA 70 N -2.77 2.13 -0.09 -0.78 0.00 0.20 -2.72 120.51 116.48 1nmr n ALA 70 Ca -0.01 -0.10 -0.18 0.00 0.00 0.00 0.00 53.44 53.15 1nmr n ALA 70 Cb 0.02 -1.34 -0.12 0.00 0.00 0.00 0.00 19.45 18.01 1nmr n ALA 70 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.50 178.37 1nmr h LYS 71 N 0.00 0.00 -0.53 0.00 1.79 0.22 -3.11 116.57 114.93 1nmr h LYS 71 Ca 0.00 0.00 -0.12 0.00 -2.18 0.00 0.00 60.65 58.35 1nmr h LYS 71 Cb 0.17 0.00 -0.02 0.00 -1.58 0.00 0.00 32.23 30.81 1nmr h LYS 71 CO 0.00 0.96 -0.12 -0.39 -1.08 0.00 0.00 179.45 178.82 1nmr h VAL 72 N -1.00 1.27 0.18 0.50 -1.51 -1.53 -3.02 116.25 111.14 1nmr h VAL 72 Ca -0.18 -1.28 -0.01 0.00 -1.23 0.00 0.00 66.70 63.99 1nmr h VAL 72 Cb 1.13 0.99 0.00 0.00 -2.13 0.00 0.00 31.29 31.29 1nmr h VAL 72 CO -0.11 0.45 -0.09 1.56 -1.23 0.00 0.00 177.57 178.15 1nmr h GLN 73 N 0.90 -0.23 -0.93 5.19 1.08 -1.69 0.52 115.11 119.95 1nmr h GLN 73 Ca 0.14 0.02 0.18 0.00 -1.45 0.00 0.00 58.65 57.53 1nmr h GLN 73 Cb 0.70 0.05 -0.10 0.00 -0.05 0.00 0.00 27.48 28.07 1nmr h GLN 73 CO 0.05 -0.05 0.51 1.49 -0.95 0.00 0.00 178.83 179.89 1nmr h GLU 74 N -0.38 0.64 0.22 1.46 4.81 -1.55 1.14 114.58 120.92 1nmr h GLU 74 Ca -0.02 -0.04 -0.33 0.00 -0.13 0.00 0.00 59.36 58.84 1nmr h GLU 74 Cb 0.30 -0.15 0.03 0.00 0.63 0.00 0.00 28.75 29.56 1nmr h GLU 74 CO 0.04 0.43 -1.48 0.00 -0.73 0.00 0.00 179.01 177.26 1nmr h ALA 75 N 1.62 -0.05 -0.22 2.92 0.00 -1.39 -1.65 119.26 120.50 1nmr h ALA 75 Ca 0.53 -0.92 -0.15 0.00 0.00 0.00 0.00 54.91 54.37 1nmr h ALA 75 Cb 0.82 0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.79 1nmr h ALA 75 CO -0.39 0.82 -0.48 -0.07 0.00 0.00 0.00 179.25 179.13 1nmr h LEU 76 N 0.13 0.62 0.21 0.00 3.38 0.91 -2.23 115.31 118.32 1nmr h LEU 76 Ca -0.25 -0.30 -0.32 0.00 0.09 0.00 0.00 57.88 57.10 1nmr h LEU 76 Cb 2.12 -0.18 0.03 0.00 0.09 0.00 0.00 40.66 42.72 1nmr h LEU 76 CO 0.24 1.00 -1.40 -0.08 0.09 0.00 0.00 178.44 178.30 1nmr h GLU 77 N 0.45 0.47 0.00 1.13 4.57 0.12 -3.20 114.58 118.13 1nmr h GLU 77 Ca 0.02 -0.79 0.00 0.00 -1.18 0.00 0.00 59.36 57.41 1nmr h GLU 77 Cb 1.00 0.29 0.00 0.00 -0.16 0.00 0.00 28.75 29.88 1nmr h GLU 77 CO 0.09 1.38 0.00 1.55 -1.18 0.00 0.00 179.01 180.85 1nmr n VAL 78 N -3.67 0.58 0.10 0.32 3.14 -0.62 -3.22 118.33 114.97 1nmr n VAL 78 Ca -0.14 0.15 -0.04 0.00 -2.96 0.00 0.00 64.34 61.34 1nmr n VAL 78 Cb 1.07 -0.83 -0.02 0.00 -1.06 0.00 0.00 33.84 33.00 1nmr n VAL 78 CO 0.00 0.00 0.00 -0.07 -6.46 0.00 0.00 176.83 170.30 1nmr h LEU 79 N 0.00 -0.22 -0.79 6.55 3.38 -1.39 -3.06 115.31 119.79 1nmr h LEU 79 Ca 0.00 0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.98 1nmr h LEU 79 Cb 0.24 0.06 0.00 0.00 0.09 0.00 0.00 40.66 41.05 1nmr h LEU 79 CO 0.00 -0.14 0.00 0.59 0.09 0.00 0.00 178.44 178.98 1nmr n ASN 80 N -2.81 0.91 -0.68 -0.43 3.02 -1.24 -4.15 115.26 109.89 1nmr n ASN 80 Ca -0.03 -2.04 0.00 0.00 -0.03 0.00 0.00 54.58 52.48 1nmr n ASN 80 Cb 0.10 -0.32 0.00 0.00 -0.61 0.00 0.00 39.78 38.95 1nmr n ASN 80 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 1nmr n ARG 81 N -0.11 0.68 0.00 3.52 5.12 -1.16 -3.75 116.66 120.96 1nmr n ARG 81 Ca 0.02 0.00 0.08 0.00 -1.93 0.00 0.00 57.85 56.02 1nmr n ARG 81 Cb 0.21 -1.28 0.46 0.00 -1.16 0.00 0.00 32.46 30.69 1nmr n ARG 81 CO 0.00 0.00 0.00 0.72 -1.93 0.00 0.00 177.63 176.42 1nmr n HIS 82 N 0.34 0.00 0.00 -1.55 8.25 -1.26 -4.03 115.22 116.97 1nmr n HIS 82 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.46 1nmr n HIS 82 Cb 0.23 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.34 1nmr n HIS 82 CO 0.00 0.00 0.00 -1.33 0.64 0.00 0.00 176.34 175.65 1nmr n MET 83 N -0.82 0.00 -3.72 -0.41 2.00 -1.25 -4.50 117.12 108.41 1nmr n MET 83 Ca 0.12 0.23 -0.35 0.00 0.00 0.00 0.00 57.70 57.69 1nmr n MET 83 Cb 0.05 -1.13 -0.09 0.00 0.00 0.00 0.00 33.22 32.05 1nmr n MET 83 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 175.97 175.17 1nmr s ASN 84 N -1.98 5.33 0.00 7.83 0.01 -1.26 -5.28 114.94 119.59 1nmr s ASN 84 Ca 0.00 -3.17 0.00 0.00 -0.71 0.00 0.00 52.86 48.98 1nmr s ASN 84 Cb 0.00 -1.84 0.00 0.00 0.41 0.00 0.00 41.25 39.82 1nmr s ASN 84 CO 0.00 -0.29 0.49 0.55 -1.51 0.00 0.00 177.10 176.34