#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 0.00 0.00 1.61 3.41 -1.26 -5.03 113.62 112.35 1nmr n SER 2 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.61 1nmr n SER 2 Cb 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 63.95 1nmr n SER 2 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 1nmr n SER 3 N 0.00 0.00 0.04 4.04 7.64 -1.26 -4.24 113.62 119.84 1nmr n SER 3 Ca 0.00 0.00 -0.02 0.00 1.01 0.00 0.00 58.87 59.86 1nmr n SER 3 Cb 0.00 0.00 -0.01 0.00 -1.01 0.00 0.00 64.21 63.19 1nmr n SER 3 CO 0.00 0.00 0.00 -0.07 -3.01 0.00 0.00 175.04 171.96 1nmr h LEU 4 N 0.00 -0.09 -7.49 -3.43 4.07 -2.09 -3.37 115.31 102.92 1nmr h LEU 4 Ca 0.00 0.00 -0.53 0.00 0.08 0.00 0.00 57.88 57.43 1nmr h LEU 4 Cb 0.00 0.02 -0.04 0.00 1.08 0.00 0.00 40.66 41.72 1nmr h LEU 4 CO 0.00 -0.02 1.85 0.00 -1.08 0.00 0.00 178.44 179.19 1nmr n ALA 5 N -2.12 3.00 -2.95 1.53 0.00 -1.26 -4.87 120.51 113.85 1nmr n ALA 5 Ca -0.01 -3.42 -0.44 0.00 0.00 0.00 0.00 53.44 49.57 1nmr n ALA 5 Cb 0.04 -3.55 -0.01 0.00 0.00 0.00 0.00 19.45 15.93 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 5.17 6.86 -1.04 0.00 0.01 -1.26 -4.62 113.70 118.82 1nmr s SER 6 Ca 0.60 -2.55 -0.12 0.00 1.31 0.00 0.00 55.95 55.19 1nmr s SER 6 Cb 0.05 -2.39 0.24 0.00 0.21 0.00 0.00 66.02 64.12 1nmr s SER 6 CO 0.09 -0.89 1.07 -1.10 0.41 0.00 0.00 173.24 172.83 1nmr s GLN 7 N 2.04 4.00 0.91 12.44 1.11 -1.26 -5.03 119.66 133.86 1nmr s GLN 7 Ca 0.37 -2.84 -0.13 0.00 0.01 0.00 0.00 55.36 52.77 1nmr s GLN 7 Cb -0.04 -4.62 0.18 0.00 -1.01 0.00 0.00 33.01 27.52 1nmr s GLN 7 CO -0.05 -1.36 1.26 0.20 0.01 0.00 0.00 175.29 175.35 1nmr s GLY 8 N 1.90 1.77 0.14 3.09 0.00 -1.26 -4.97 107.32 108.00 1nmr s GLY 8 Ca 0.29 -1.29 0.26 0.00 0.00 0.00 0.00 44.72 43.99 1nmr s GLY 8 CO -0.07 -0.56 1.81 -1.06 0.00 0.00 0.00 173.10 173.21 1nmr n GLN 9 N -3.58 0.17 0.28 2.90 1.13 -1.26 -3.28 117.38 113.75 1nmr n GLN 9 Ca 0.15 0.17 0.17 0.00 -1.94 0.00 0.00 57.00 55.55 1nmr n GLN 9 Cb 0.60 -1.71 0.76 0.00 0.11 0.00 0.00 30.24 30.00 1nmr n GLN 9 CO 0.00 0.00 0.00 -2.95 -1.44 0.00 0.00 177.06 172.67 1nmr h ASN 10 N 0.00 0.00 -0.37 1.08 -1.07 -1.98 -2.68 115.58 110.56 1nmr h ASN 10 Ca 0.00 0.00 -0.01 0.00 0.07 0.00 0.00 56.30 56.36 1nmr h ASN 10 Cb 0.63 0.00 -0.02 0.00 -2.07 0.00 0.00 38.32 36.86 1nmr h ASN 10 CO 0.00 0.04 0.19 -0.07 0.07 0.00 0.00 177.43 177.66 1nmr h LEU 11 N 0.00 0.48 0.00 6.14 3.38 -1.95 0.92 115.31 124.28 1nmr h LEU 11 Ca -0.00 -0.11 0.00 0.00 0.09 0.00 0.00 57.88 57.86 1nmr h LEU 11 Cb 0.43 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 41.05 1nmr h LEU 11 CO 0.01 0.46 -0.29 0.28 0.09 0.00 0.00 178.44 178.98 1nmr h SER 12 N 0.46 0.00 0.75 -0.43 0.02 -1.77 -3.28 113.55 109.30 1nmr h SER 12 Ca 0.13 -0.04 -0.25 0.00 -0.84 0.00 0.00 61.79 60.79 1nmr h SER 12 Cb 0.10 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 62.63 1nmr h SER 12 CO -0.02 0.02 -1.17 0.74 -1.14 0.00 0.00 176.83 175.26 1nmr h THR 13 N 0.00 1.57 -0.37 -2.27 2.02 -1.12 -2.21 112.91 110.52 1nmr h THR 13 Ca 0.00 -3.18 -0.15 0.00 0.77 0.00 0.00 66.41 63.85 1nmr h THR 13 Cb 0.89 2.91 -0.01 0.00 -1.74 0.00 0.00 68.15 70.20 1nmr h THR 13 CO 0.00 0.92 -0.35 1.62 0.37 0.00 0.00 175.52 178.08 1nmr h VAL 14 N 0.05 1.28 0.00 3.16 3.04 -0.89 -2.94 116.25 119.94 1nmr h VAL 14 Ca -0.10 -1.52 -0.02 0.00 -1.01 0.00 0.00 66.70 64.06 1nmr h VAL 14 Cb 1.91 1.36 -0.00 0.00 -2.01 0.00 0.00 31.29 32.55 1nmr h VAL 14 CO 0.18 0.50 -0.17 -0.07 -1.01 0.00 0.00 177.57 177.01 1nmr h LEU 15 N 0.70 0.00 -7.58 3.16 -0.00 -1.64 -3.41 115.31 106.53 1nmr h LEU 15 Ca 0.07 0.00 -0.29 0.00 -0.00 0.00 0.00 57.88 57.66 1nmr h LEU 15 Cb 0.91 0.00 0.04 0.00 -0.00 0.00 0.00 40.66 41.62 1nmr h LEU 15 CO 0.08 0.07 0.80 0.00 -0.00 0.00 0.00 178.44 179.39 1nmr n ALA 16 N -2.13 0.92 0.06 1.53 0.00 -0.83 -4.16 120.51 115.91 1nmr n ALA 16 Ca 0.03 -2.59 0.00 0.00 0.00 0.00 0.00 53.44 50.88 1nmr n ALA 16 Cb 0.56 -3.52 0.00 0.00 0.00 0.00 0.00 19.45 16.49 1nmr n ALA 16 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 1nmr n ASN 17 N 14.69 0.52 -3.79 0.00 5.15 -1.26 -4.99 115.26 125.57 1nmr n ASN 17 Ca 0.44 0.19 -0.28 0.00 -0.60 0.00 0.00 54.58 54.33 1nmr n ASN 17 Cb 0.45 -0.07 -0.12 0.00 -0.53 0.00 0.00 39.78 39.51 1nmr n ASN 17 CO 0.00 0.00 0.00 -0.76 1.40 0.00 0.00 177.26 177.90 1nmr s LEU 18 N -6.48 3.87 -0.19 1.20 1.43 -1.26 -4.93 118.68 112.32 1nmr s LEU 18 Ca 0.00 -3.46 -0.22 0.00 -1.03 0.00 0.00 54.13 49.42 1nmr s LEU 18 Cb 0.00 -1.34 -0.20 0.00 0.03 0.00 0.00 46.19 44.68 1nmr s LEU 18 CO 0.00 -0.14 0.29 0.74 0.23 0.00 0.00 176.35 177.47 1nmr h THR 19 N 4.68 1.03 0.00 5.49 2.02 -1.94 -3.20 112.91 120.99 1nmr h THR 19 Ca 0.12 -2.15 0.00 0.00 0.77 0.00 0.00 66.41 65.15 1nmr h THR 19 Cb 0.82 2.32 0.00 0.00 -1.74 0.00 0.00 68.15 69.55 1nmr h THR 19 CO 0.62 0.35 0.00 1.55 0.37 0.00 0.00 175.52 178.41 1nmr h PRO 20 N -1.00 0.00 0.02 6.66 0.13 -1.98 -1.15 132.00 134.67 1nmr h PRO 20 Ca -0.27 0.00 -0.13 0.00 -0.87 0.00 0.00 66.00 64.72 1nmr h PRO 20 Cb 1.21 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.33 1nmr h PRO 20 CO -0.16 0.00 -0.71 1.49 -0.23 0.00 0.00 178.00 178.38 1nmr h GLU 21 N 0.00 0.03 0.27 0.86 4.81 -1.96 -3.09 114.58 115.50 1nmr h GLU 21 Ca 0.00 -0.06 -0.01 0.00 -0.13 0.00 0.00 59.36 59.16 1nmr h GLU 21 Cb 0.37 0.02 0.00 0.00 0.63 0.00 0.00 28.75 29.78 1nmr h GLU 21 CO 0.00 1.03 -0.13 1.96 -0.73 0.00 0.00 179.01 181.14 1nmr h GLN 22 N -0.91 -0.35 -0.20 1.92 1.08 -1.53 -2.58 115.11 112.55 1nmr h GLN 22 Ca -0.19 0.02 0.05 0.00 -1.45 0.00 0.00 58.65 57.09 1nmr h GLN 22 Cb 1.23 0.08 -0.06 0.00 -0.05 0.00 0.00 27.48 28.68 1nmr h GLN 22 CO -0.08 -0.00 -0.18 0.37 -0.95 0.00 0.00 178.83 177.99 1nmr h GLN 23 N -0.78 -0.18 -0.26 1.46 5.75 -1.42 -1.73 115.11 117.94 1nmr h GLN 23 Ca -0.04 0.01 0.06 0.00 -0.15 0.00 0.00 58.65 58.54 1nmr h GLN 23 Cb 0.51 0.04 -0.07 0.00 1.07 0.00 0.00 27.48 29.02 1nmr h GLN 23 CO 0.06 -0.12 -0.27 0.87 -2.65 0.00 0.00 178.83 176.72 1nmr h LYS 24 N -0.19 -0.26 -0.13 1.69 1.79 -1.60 -0.07 116.57 117.80 1nmr h LYS 24 Ca 0.12 0.02 0.05 0.00 -2.18 0.00 0.00 60.65 58.65 1nmr h LYS 24 Cb 0.37 0.06 -0.06 0.00 -1.58 0.00 0.00 32.23 31.02 1nmr h LYS 24 CO -0.31 -0.17 -0.34 -0.97 -1.08 0.00 0.00 179.45 176.58 1nmr h ASN 25 N -0.27 -1.04 -0.76 0.86 -0.00 -1.00 0.15 115.58 113.52 1nmr h ASN 25 Ca 0.14 0.15 0.07 0.00 -0.00 0.00 0.00 56.30 56.66 1nmr h ASN 25 Cb 0.49 0.44 -0.06 0.00 -0.00 0.00 0.00 38.32 39.19 1nmr h ASN 25 CO -0.42 -0.37 0.44 1.62 -0.00 0.00 0.00 177.43 178.70 1nmr h VAL 26 N -0.41 0.96 0.25 2.57 3.04 -0.88 0.48 116.25 122.27 1nmr h VAL 26 Ca 0.09 -0.27 -0.01 0.00 -1.01 0.00 0.00 66.70 65.51 1nmr h VAL 26 Cb 0.56 0.12 -0.01 0.00 -2.01 0.00 0.00 31.29 29.95 1nmr h VAL 26 CO -0.36 0.14 -0.18 -0.07 -1.01 0.00 0.00 177.57 176.10 1nmr h LEU 27 N 0.78 -0.45 -0.48 3.16 3.38 -0.07 -1.09 115.31 120.55 1nmr h LEU 27 Ca 0.35 0.03 -0.01 0.00 0.09 0.00 0.00 57.88 58.34 1nmr h LEU 27 Cb 0.24 0.14 -0.02 0.00 0.09 0.00 0.00 40.66 41.11 1nmr h LEU 27 CO -0.20 -0.28 0.28 1.23 0.09 0.00 0.00 178.44 179.56 1nmr h GLY 28 N -0.43 0.70 0.81 0.83 0.00 -0.28 0.26 103.07 104.97 1nmr h GLY 28 Ca -0.02 -0.30 -0.01 0.00 0.00 0.00 0.00 47.33 47.00 1nmr h GLY 28 CO 0.01 0.29 -0.28 0.83 0.00 0.00 0.00 176.54 177.39 1nmr h GLU 29 N 0.64 -0.64 0.00 4.80 4.39 -0.80 -0.18 114.58 122.80 1nmr h GLU 29 Ca 0.17 0.04 0.00 0.00 0.34 0.00 0.00 59.36 59.91 1nmr h GLU 29 Cb 0.02 0.14 0.00 0.00 -0.10 0.00 0.00 28.75 28.81 1nmr h GLU 29 CO -0.03 -0.42 0.00 0.00 -1.16 0.00 0.00 179.01 177.40 1nmr h ARG 30 N -0.66 0.00 0.34 2.33 3.08 -1.11 -3.14 114.38 115.21 1nmr h ARG 30 Ca -0.04 0.00 -0.02 0.00 0.07 0.00 0.00 59.98 60.00 1nmr h ARG 30 Cb 0.56 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.61 1nmr h ARG 30 CO 0.01 0.00 -0.16 1.25 -1.07 0.00 0.00 179.97 180.00 1nmr h LEU 31 N 0.00 -0.38 -1.69 3.04 5.85 0.60 -3.27 115.31 119.46 1nmr h LEU 31 Ca 0.00 0.01 0.36 0.00 0.84 0.00 0.00 57.88 59.10 1nmr h LEU 31 Cb 0.31 0.10 -0.08 0.00 0.37 0.00 0.00 40.66 41.35 1nmr h LEU 31 CO 0.00 0.00 0.86 0.22 -0.34 0.00 0.00 178.44 179.18 1nmr h TYR 32 N -1.00 0.30 -0.36 1.25 5.03 -1.03 -0.03 116.97 121.14 1nmr h TYR 32 Ca -0.05 0.01 -0.03 0.00 2.58 0.00 0.00 58.73 61.25 1nmr h TYR 32 Cb 0.34 -0.08 -0.02 0.00 1.55 0.00 0.00 36.73 38.53 1nmr h TYR 32 CO 0.01 -0.02 0.12 -0.97 -1.32 0.00 0.00 178.16 175.98 1nmr h ASN 33 N 0.13 0.52 -0.78 -2.11 -1.24 -1.60 1.90 115.58 112.39 1nmr h ASN 33 Ca 0.67 -0.19 -0.04 0.00 0.71 0.00 0.00 56.30 57.45 1nmr h ASN 33 Cb 2.27 -0.14 -0.04 0.00 0.73 0.00 0.00 38.32 41.15 1nmr h ASN 33 CO -0.18 0.57 0.34 1.12 -1.29 0.00 0.00 177.43 178.00 1nmr h HIS 34 N 0.44 1.17 0.11 0.67 2.07 -1.05 -3.22 115.15 115.33 1nmr h HIS 34 Ca 0.12 -0.07 -0.34 0.00 -2.85 0.00 0.00 60.37 57.22 1nmr h HIS 34 Cb 0.23 -0.35 -0.02 0.00 2.57 0.00 0.00 27.41 29.84 1nmr h HIS 34 CO 0.01 0.87 -1.87 0.97 -3.07 0.00 0.00 177.93 174.84 1nmr h ILE 35 N 1.12 0.69 -0.78 6.12 6.09 -1.39 -3.17 117.51 126.20 1nmr h ILE 35 Ca 0.26 -2.33 0.17 0.00 -1.37 0.00 0.00 64.86 61.59 1nmr h ILE 35 Cb 0.17 2.49 -0.15 0.00 0.47 0.00 0.00 36.82 39.81 1nmr h ILE 35 CO -0.03 0.82 -0.14 1.62 -3.07 0.00 0.00 178.15 177.35 1nmr h VAL 36 N -0.08 0.24 0.00 2.19 3.04 0.29 3.15 116.25 125.08 1nmr h VAL 36 Ca -0.41 -0.01 -0.14 0.00 -1.01 0.00 0.00 66.70 65.14 1nmr h VAL 36 Cb 1.93 0.21 -0.02 0.00 -2.01 0.00 0.00 31.29 31.41 1nmr h VAL 36 CO 0.05 0.00 -0.65 0.00 -1.01 0.00 0.00 177.57 175.97 1nmr h ALA 37 N 1.77 0.75 0.00 3.17 0.00 -1.74 -3.15 119.26 120.06 1nmr h ALA 37 Ca 0.39 -0.59 0.00 0.00 0.00 0.00 0.00 54.91 54.72 1nmr h ALA 37 Cb 0.64 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.32 1nmr h ALA 37 CO -0.78 0.81 -0.13 0.82 0.00 0.00 0.00 179.25 179.96 1nmr h ILE 38 N 0.00 0.00 -3.04 0.00 5.03 0.12 -3.44 117.51 116.17 1nmr h ILE 38 Ca -0.01 -0.37 -0.62 0.00 -0.12 0.00 0.00 64.86 63.74 1nmr h ILE 38 Cb 1.29 0.00 -0.41 0.00 -3.03 0.00 0.00 36.82 34.67 1nmr h ILE 38 CO 0.08 0.00 -0.64 0.20 -0.68 0.00 0.00 178.15 177.11 1nmr s ASN 39 N -4.22 4.27 0.42 1.72 -0.87 1.00 -4.96 114.94 112.30 1nmr s ASN 39 Ca -0.04 -3.54 0.17 0.00 -1.57 0.00 0.00 52.86 47.88 1nmr s ASN 39 Cb 0.01 -1.46 1.07 0.00 -0.02 0.00 0.00 41.25 40.85 1nmr s ASN 39 CO 0.06 -0.13 1.89 -0.65 -2.57 0.00 0.00 177.10 175.69 1nmr h PRO 40 N 5.70 0.40 -1.76 -0.60 0.11 -1.50 -2.09 132.00 132.26 1nmr h PRO 40 Ca 0.11 -0.02 -0.51 0.00 0.11 0.00 0.00 66.00 65.68 1nmr h PRO 40 Cb 0.81 -0.09 -0.19 0.00 0.11 0.00 0.00 31.00 31.63 1nmr h PRO 40 CO 0.66 0.26 0.55 0.00 -0.21 0.00 0.00 178.00 179.26 1nmr n ALA 41 N -2.52 6.11 0.00 -0.75 0.00 -1.26 -3.92 120.51 118.16 1nmr n ALA 41 Ca 0.17 -2.89 0.00 0.00 0.00 0.00 0.00 53.44 50.71 1nmr n ALA 41 Cb 0.61 -1.88 0.00 0.00 0.00 0.00 0.00 19.45 18.18 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 0.33 0.01 -0.35 0.00 0.00 -0.83 -4.81 120.51 114.85 1nmr n ALA 42 Ca 0.46 0.00 0.02 0.00 0.00 0.00 0.00 53.44 53.92 1nmr n ALA 42 Cb 0.52 0.00 0.08 0.00 0.00 0.00 0.00 19.45 20.05 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 -1.15 0.02 -0.06 0.00 0.00 -0.96 0.20 120.51 118.56 1nmr n ALA 43 Ca 0.00 0.98 0.21 0.00 0.00 0.00 0.00 53.44 54.63 1nmr n ALA 43 Cb 0.00 -0.50 0.66 0.00 0.00 0.00 0.00 19.45 19.61 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 1.54 2.50 0.06 0.00 0.00 -1.89 0.53 119.26 122.00 1nmr h ALA 44 Ca 0.38 -0.02 -0.25 0.00 0.00 0.00 0.00 54.91 55.02 1nmr h ALA 44 Cb 0.61 0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.41 1nmr h ALA 44 CO -0.95 -0.68 -1.35 0.87 0.00 0.00 0.00 179.25 177.14 1nmr h LYS 45 N 0.08 0.13 -0.36 0.00 1.79 0.19 -2.99 116.57 115.41 1nmr h LYS 45 Ca 0.31 -0.22 -0.06 0.00 -2.18 0.00 0.00 60.65 58.50 1nmr h LYS 45 Cb 1.12 0.08 -0.02 0.00 -1.58 0.00 0.00 32.23 31.83 1nmr h LYS 45 CO -0.03 1.11 -0.01 0.28 -1.08 0.00 0.00 179.45 179.72 1nmr h VAL 46 N -0.58 1.21 0.04 0.50 2.07 0.42 0.12 116.25 120.03 1nmr h VAL 46 Ca -0.32 -0.84 -0.00 0.00 0.82 0.00 0.00 66.70 66.35 1nmr h VAL 46 Cb 1.57 0.95 0.00 0.00 -1.52 0.00 0.00 31.29 32.29 1nmr h VAL 46 CO -0.05 0.29 -0.02 0.74 0.02 0.00 0.00 177.57 178.55 1nmr h THR 47 N 0.54 1.30 0.29 2.57 2.02 -0.11 -1.00 112.91 118.52 1nmr h THR 47 Ca 0.11 -1.73 -0.01 0.00 0.77 0.00 0.00 66.41 65.55 1nmr h THR 47 Cb 0.36 2.35 0.00 0.00 -1.74 0.00 0.00 68.15 69.13 1nmr h THR 47 CO 0.01 0.40 -0.14 1.23 0.37 0.00 0.00 175.52 177.39 1nmr h GLY 48 N -0.89 -0.41 0.54 2.16 0.00 -1.52 -3.33 103.07 99.61 1nmr h GLY 48 Ca -0.00 0.15 -0.00 0.00 0.00 0.00 0.00 47.33 47.48 1nmr h GLY 48 CO 0.01 -0.15 -0.00 -0.33 0.00 0.00 0.00 176.54 176.07 1nmr h MET 49 N -0.79 -0.01 0.00 4.80 2.07 -0.94 -3.41 114.93 116.66 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 0.07 0.46 0.00 -0.11 1.07 0.00 0.00 176.91 178.39 1nmr n LEU 50 N -4.87 0.00 -3.76 1.22 7.94 -0.38 -2.86 117.00 114.29 1nmr n LEU 50 Ca -0.08 0.00 -0.42 0.00 -1.11 0.00 0.00 56.01 54.39 1nmr n LEU 50 Cb 0.24 0.00 -0.02 0.00 0.53 0.00 0.00 43.42 44.17 1nmr n LEU 50 CO 0.33 0.00 2.46 0.18 -1.11 0.00 0.00 177.39 179.25 1nmr n LEU 51 N 0.00 5.87 0.00 -1.96 4.77 -1.26 -3.28 117.00 121.14 1nmr n LEU 51 Ca 0.00 -3.74 -0.08 0.00 -0.03 0.00 0.00 56.01 52.16 1nmr n LEU 51 Cb 0.00 -1.50 0.04 0.00 -2.33 0.00 0.00 43.42 39.62 1nmr n LEU 51 CO 0.00 0.57 0.18 -0.62 -1.33 0.00 0.00 177.39 176.18 1nmr n GLU 52 N 6.53 0.62 0.43 3.23 -0.58 -1.14 -4.83 120.64 124.90 1nmr n GLU 52 Ca 0.51 -1.16 -0.17 0.00 -0.42 0.00 0.00 57.16 55.92 1nmr n GLU 52 Cb 0.40 -0.17 -0.08 0.00 -0.57 0.00 0.00 31.44 31.02 1nmr n GLU 52 CO 0.00 0.00 0.00 0.52 -0.48 0.00 0.00 177.13 177.17 1nmr h MET 53 N 0.00 -1.07 0.00 3.49 2.86 -1.94 -3.02 114.93 115.25 1nmr h MET 53 Ca -0.12 0.07 0.00 0.00 -2.06 0.00 0.00 59.70 57.60 1nmr h MET 53 Cb 0.49 0.24 0.00 0.00 0.06 0.00 0.00 31.60 32.39 1nmr h MET 53 CO 0.15 -0.71 0.00 -3.47 1.06 0.00 0.00 176.91 173.93 1nmr n ASP 54 N -5.38 0.00 -0.53 1.22 2.03 -1.26 -3.70 116.55 108.93 1nmr n ASP 54 Ca -0.14 0.14 0.45 0.00 0.52 0.00 0.00 54.79 55.77 1nmr n ASP 54 Cb 0.44 -0.39 0.79 0.00 -0.72 0.00 0.00 41.12 41.24 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 0.53 1.67 -1.24 -1.87 -0.29 115.58 114.38 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 -0.25 1.23 -1.29 0.00 0.00 177.43 177.12 1nmr h GLY 56 N 0.00 -0.74 -0.71 1.57 0.00 -1.51 -3.04 103.07 98.63 1nmr h GLY 56 Ca 0.77 0.27 0.10 0.00 0.00 0.00 0.00 47.33 48.48 1nmr h GLY 56 CO -0.01 -0.27 -0.30 1.18 0.00 0.00 0.00 176.54 177.14 1nmr n GLU 57 N -4.62 -0.19 -0.28 4.80 -0.58 -0.12 0.16 120.64 119.80 1nmr n GLU 57 Ca -0.09 1.10 -0.00 0.00 -0.42 0.00 0.00 57.16 57.75 1nmr n GLU 57 Cb 0.28 -1.63 0.13 0.00 -0.57 0.00 0.00 31.44 29.65 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 1.01 -1.29 -3.67 2.04 -1.64 -2.30 117.51 111.66 1nmr h ILE 58 Ca 0.22 -0.30 0.43 0.00 1.00 0.00 0.00 64.86 66.22 1nmr h ILE 58 Cb 0.40 0.07 -0.11 0.00 -0.74 0.00 0.00 36.82 36.45 1nmr h ILE 58 CO -0.70 0.16 0.86 0.00 0.00 0.00 0.00 178.15 178.46 1nmr n LEU 59 N -4.68 0.14 0.08 1.44 -0.00 0.42 0.54 117.00 114.94 1nmr n LEU 59 Ca 0.11 1.12 0.17 0.00 -0.00 0.00 0.00 56.01 57.41 1nmr n LEU 59 Cb 0.18 -0.55 0.45 0.00 -0.00 0.00 0.00 43.42 43.50 1nmr n LEU 59 CO 0.30 -1.20 1.16 -1.13 -0.00 0.00 0.00 177.39 176.51 1nmr h ASN 60 N 0.00 0.00 -1.73 1.45 -0.73 -1.42 0.12 115.58 113.27 1nmr h ASN 60 Ca 0.77 0.00 -0.55 0.00 1.87 0.00 0.00 56.30 58.38 1nmr h ASN 60 Cb 2.61 0.00 -0.42 0.00 0.27 0.00 0.00 38.32 40.78 1nmr h ASN 60 CO -0.32 0.00 -0.79 0.18 -0.37 0.00 0.00 177.43 176.13 1nmr n LEU 61 N -3.09 3.97 -1.90 0.34 4.77 0.19 -5.04 117.00 116.24 1nmr n LEU 61 Ca 0.10 -5.17 -0.08 0.00 -0.03 0.00 0.00 56.01 50.84 1nmr n LEU 61 Cb 1.02 -0.30 -0.08 0.00 -2.33 0.00 0.00 43.42 41.73 1nmr n LEU 61 CO 0.17 2.20 0.81 0.18 -1.33 0.00 0.00 177.39 179.41 1nmr n LEU 62 N -0.30 -0.68 -4.88 2.23 4.77 0.43 -4.83 117.00 113.73 1nmr n LEU 62 Ca 0.32 -0.31 -0.21 0.00 -0.03 0.00 0.00 56.01 55.78 1nmr n LEU 62 Cb 0.60 -0.23 -0.03 0.00 -2.33 0.00 0.00 43.42 41.42 1nmr n LEU 62 CO 0.32 -0.64 -0.07 -1.81 -1.33 0.00 0.00 177.39 173.86 1nmr s ASP 63 N 0.00 5.52 -0.06 -1.43 1.11 -1.26 -5.00 116.67 115.55 1nmr s ASP 63 Ca 0.45 -0.36 -0.23 0.00 0.18 0.00 0.00 52.55 52.59 1nmr s ASP 63 Cb -0.29 -1.15 -0.19 0.00 1.07 0.00 0.00 42.92 42.36 1nmr s ASP 63 CO 0.20 -0.29 0.94 0.71 1.18 0.00 0.00 175.17 177.91 1nmr h THR 64 N 1.23 1.16 0.07 -1.27 1.35 -1.98 -3.14 112.91 110.33 1nmr h THR 64 Ca -0.46 -1.36 -0.00 0.00 -0.55 0.00 0.00 66.41 64.03 1nmr h THR 64 Cb 1.25 1.97 0.00 0.00 -1.73 0.00 0.00 68.15 69.64 1nmr h THR 64 CO 0.58 0.31 -0.03 1.55 -0.25 0.00 0.00 175.52 177.67 1nmr h PRO 65 N -0.79 -0.09 -0.50 4.72 0.13 -1.97 -2.87 132.00 130.63 1nmr h PRO 65 Ca -0.01 0.01 0.05 0.00 -0.87 0.00 0.00 66.00 65.18 1nmr h PRO 65 Cb 0.59 0.02 -0.08 0.00 0.13 0.00 0.00 31.00 31.66 1nmr h PRO 65 CO 0.02 -0.06 -0.54 0.78 -0.23 0.00 0.00 178.00 177.97 1nmr h GLY 66 N -0.32 -1.04 0.42 1.56 0.00 -1.96 0.14 103.07 101.87 1nmr h GLY 66 Ca -0.01 0.75 -0.02 0.00 0.00 0.00 0.00 47.33 48.04 1nmr h GLY 66 CO 0.02 -0.12 -0.21 1.41 0.00 0.00 0.00 176.54 177.64 1nmr h LEU 67 N -0.31 -0.50 -1.85 3.11 -0.00 -1.74 -0.59 115.31 113.44 1nmr h LEU 67 Ca 0.09 0.02 0.43 0.00 -0.00 0.00 0.00 57.88 58.41 1nmr h LEU 67 Cb 0.53 0.13 -0.08 0.00 -0.00 0.00 0.00 40.66 41.25 1nmr h LEU 67 CO -0.63 -0.35 1.03 0.25 -0.00 0.00 0.00 178.44 178.74 1nmr h LEU 68 N -0.57 0.08 0.32 1.67 5.85 -1.40 1.50 115.31 122.75 1nmr h LEU 68 Ca -0.06 0.03 -0.02 0.00 0.84 0.00 0.00 57.88 58.68 1nmr h LEU 68 Cb 0.44 0.02 0.00 0.00 0.37 0.00 0.00 40.66 41.50 1nmr h LEU 68 CO 0.09 -0.02 -0.15 0.44 -0.34 0.00 0.00 178.44 178.46 1nmr h ASP 69 N 0.05 -0.36 0.44 1.25 3.32 -0.43 -3.14 116.42 117.55 1nmr h ASP 69 Ca 0.74 0.01 0.00 0.00 0.02 0.00 0.00 57.03 57.80 1nmr h ASP 69 Cb 2.76 0.09 0.00 0.00 0.22 0.00 0.00 39.33 42.41 1nmr h ASP 69 CO -0.10 0.09 0.00 0.00 -1.72 0.00 0.00 179.24 177.51 1nmr n ALA 70 N -2.75 1.96 0.02 3.45 0.00 -0.25 -2.77 120.51 120.16 1nmr n ALA 70 Ca -0.05 -0.08 -0.08 0.00 0.00 0.00 0.00 53.44 53.22 1nmr n ALA 70 Cb 0.17 -1.31 -0.06 0.00 0.00 0.00 0.00 19.45 18.25 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 -0.15 -0.42 0.00 1.57 0.20 -2.62 116.57 115.15 1nmr h LYS 71 Ca 0.00 0.01 -0.09 0.00 -1.87 0.00 0.00 60.65 58.70 1nmr h LYS 71 Cb 0.22 0.03 -0.01 0.00 0.08 0.00 0.00 32.23 32.55 1nmr h LYS 71 CO 0.00 0.25 -0.11 -0.39 -0.57 0.00 0.00 179.45 178.63 1nmr h VAL 72 N -0.95 1.27 -0.30 0.50 -1.51 -1.55 -2.79 116.25 110.92 1nmr h VAL 72 Ca -0.02 -1.21 0.03 0.00 -1.23 0.00 0.00 66.70 64.27 1nmr h VAL 72 Cb 0.47 1.19 -0.03 0.00 -2.13 0.00 0.00 31.29 30.79 1nmr h VAL 72 CO 0.03 0.41 0.13 1.56 -1.23 0.00 0.00 177.57 178.47 1nmr h GLN 73 N 0.64 0.27 -0.37 5.19 1.08 -1.66 1.37 115.11 121.63 1nmr h GLN 73 Ca 0.11 -0.02 0.05 0.00 -1.45 0.00 0.00 58.65 57.34 1nmr h GLN 73 Cb 0.64 -0.06 -0.04 0.00 -0.05 0.00 0.00 27.48 27.96 1nmr h GLN 73 CO 0.04 0.18 0.11 1.49 -0.95 0.00 0.00 178.83 179.71 1nmr h GLU 74 N 0.28 0.25 0.01 1.46 4.22 -1.41 1.05 114.58 120.44 1nmr h GLU 74 Ca 0.13 -0.01 -0.21 0.00 0.08 0.00 0.00 59.36 59.34 1nmr h GLU 74 Cb 0.07 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.26 1nmr h GLU 74 CO -0.11 0.16 -0.91 0.00 -2.18 0.00 0.00 179.01 175.97 1nmr h ALA 75 N 1.25 0.45 -0.11 2.92 0.00 -1.19 -2.62 119.26 119.96 1nmr h ALA 75 Ca 0.17 -0.72 -0.22 0.00 0.00 0.00 0.00 54.91 54.14 1nmr h ALA 75 Cb 0.17 -0.05 0.01 0.00 0.00 0.00 0.00 17.79 17.92 1nmr h ALA 75 CO -0.19 0.88 -0.78 -0.07 0.00 0.00 0.00 179.25 179.09 1nmr h LEU 76 N 0.15 0.88 -0.86 0.00 3.38 0.22 0.99 115.31 120.07 1nmr h LEU 76 Ca -0.06 -0.66 -0.09 0.00 0.09 0.00 0.00 57.88 57.16 1nmr h LEU 76 Cb 1.55 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 42.02 1nmr h LEU 76 CO 0.15 1.40 -0.16 -0.08 0.09 0.00 0.00 178.44 179.84 1nmr h GLU 77 N 0.42 0.67 -0.01 1.13 4.57 0.11 -2.51 114.58 118.97 1nmr h GLU 77 Ca -0.06 -0.23 0.00 0.00 -1.18 0.00 0.00 59.36 57.88 1nmr h GLU 77 Cb 1.42 -0.05 0.00 0.00 -0.16 0.00 0.00 28.75 29.95 1nmr h GLU 77 CO 0.16 0.80 -0.24 1.55 -1.18 0.00 0.00 179.01 180.10 1nmr n VAL 78 N -4.15 0.00 0.14 0.32 3.14 -0.99 -4.18 118.33 112.62 1nmr n VAL 78 Ca 0.01 -0.14 -0.06 0.00 -2.96 0.00 0.00 64.34 61.19 1nmr n VAL 78 Cb 0.38 0.42 -0.03 0.00 -1.06 0.00 0.00 33.84 33.55 1nmr n VAL 78 CO 0.00 0.00 0.00 0.25 -6.46 0.00 0.00 176.83 170.62 1nmr h LEU 79 N 1.33 -0.33 -0.38 6.55 6.46 -0.32 -2.80 115.31 125.82 1nmr h LEU 79 Ca 0.00 0.01 0.00 0.00 -0.12 0.00 0.00 57.88 57.77 1nmr h LEU 79 Cb 0.51 0.09 0.00 0.00 -0.73 0.00 0.00 40.66 40.53 1nmr h LEU 79 CO 0.00 -0.23 0.00 -3.20 -0.62 0.00 0.00 178.44 174.39 1nmr n ASN 80 N -3.04 0.35 -0.41 1.25 2.85 -1.26 -3.98 115.26 111.03 1nmr n ASN 80 Ca -0.05 -1.83 0.00 0.00 -0.11 0.00 0.00 54.58 52.59 1nmr n ASN 80 Cb 0.15 -0.18 0.00 0.00 1.24 0.00 0.00 39.78 40.99 1nmr n ASN 80 CO 0.00 0.00 0.00 0.54 -2.11 0.00 0.00 177.26 175.69 1nmr n ARG 81 N -0.29 0.69 -0.85 1.20 5.12 -1.06 -4.41 116.66 117.07 1nmr n ARG 81 Ca 0.00 0.00 -0.20 0.00 -1.93 0.00 0.00 57.85 55.72 1nmr n ARG 81 Cb 0.09 -1.28 -0.06 0.00 -1.16 0.00 0.00 32.46 30.04 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 0.03 1.03 0.00 -1.55 8.25 -1.26 -4.63 115.22 117.09 1nmr n HIS 82 Ca 0.00 -1.84 0.00 0.00 -0.26 0.00 0.00 57.72 55.62 1nmr n HIS 82 Cb 0.14 -1.68 0.00 0.00 1.12 0.00 0.00 29.99 29.57 1nmr n HIS 82 CO 0.00 0.00 0.00 -0.12 0.64 0.00 0.00 176.34 176.86 1nmr n MET 83 N 3.43 0.00 -0.03 -0.41 0.00 -1.26 -4.71 117.12 114.14 1nmr n MET 83 Ca 0.46 0.39 -0.05 0.00 0.00 0.00 0.00 57.70 58.50 1nmr n MET 83 Cb 0.37 -1.39 -0.03 0.00 0.00 0.00 0.00 33.22 32.17 1nmr n MET 83 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 175.97 176.06 1nmr n ASN 84 N -1.68 2.19 0.00 6.12 4.13 -1.26 -5.28 115.26 119.48 1nmr n ASN 84 Ca 0.00 0.02 0.00 0.00 1.68 0.00 0.00 54.58 56.28 1nmr n ASN 84 Cb 0.00 -0.14 0.00 0.00 -1.54 0.00 0.00 39.78 38.10 1nmr n ASN 84 CO 0.00 0.00 0.00 0.55 0.28 0.00 0.00 177.26 178.09