#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 1.61 -3.66 1.61 7.64 -1.26 -4.99 113.62 114.57 1nmr n SER 2 Ca 0.00 -3.47 -0.09 0.00 1.01 0.00 0.00 58.87 56.32 1nmr n SER 2 Cb 0.00 -0.48 -0.10 0.00 -1.01 0.00 0.00 64.21 62.63 1nmr n SER 2 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 1nmr s SER 3 N -2.98 -0.27 -0.98 6.43 0.01 -1.26 -5.05 113.70 109.61 1nmr s SER 3 Ca 0.37 0.96 -0.06 0.00 1.31 0.00 0.00 55.95 58.54 1nmr s SER 3 Cb 0.37 1.24 0.00 0.00 0.21 0.00 0.00 66.02 67.85 1nmr s SER 3 CO -0.09 -0.23 2.79 0.18 0.41 0.00 0.00 173.24 176.30 1nmr n LEU 4 N 5.23 7.41 -0.06 2.44 7.99 -1.26 -4.49 117.00 134.26 1nmr n LEU 4 Ca -0.10 -4.32 0.14 0.00 -0.01 0.00 0.00 56.01 51.71 1nmr n LEU 4 Cb 0.50 -1.38 0.58 0.00 -0.11 0.00 0.00 43.42 43.02 1nmr n LEU 4 CO 0.01 1.93 0.85 0.00 -1.51 0.00 0.00 177.39 178.68 1nmr n ALA 5 N 2.03 2.74 -0.13 -1.18 0.00 -1.26 -3.20 120.51 119.51 1nmr n ALA 5 Ca 0.60 -0.22 -0.26 0.00 0.00 0.00 0.00 53.44 53.55 1nmr n ALA 5 Cb 0.42 -1.36 -0.09 0.00 0.00 0.00 0.00 19.45 18.42 1nmr n ALA 5 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1nmr n SER 6 N -1.20 1.78 0.28 0.00 2.88 -1.26 -4.46 113.62 111.65 1nmr n SER 6 Ca 0.12 0.31 0.13 0.00 -1.33 0.00 0.00 58.87 58.09 1nmr n SER 6 Cb 0.29 -0.74 0.81 0.00 -0.75 0.00 0.00 64.21 63.82 1nmr n SER 6 CO 0.00 0.00 0.00 -0.61 -1.23 0.00 0.00 175.04 173.20 1nmr h GLN 7 N -0.91 0.00 -5.49 -1.46 4.15 -1.92 -3.34 115.11 106.14 1nmr h GLN 7 Ca -0.62 0.00 -0.67 0.00 0.77 0.00 0.00 58.65 58.14 1nmr h GLN 7 Cb 1.54 0.00 -0.07 0.00 0.21 0.00 0.00 27.48 29.16 1nmr h GLN 7 CO -0.37 0.05 2.31 0.41 -1.93 0.00 0.00 178.83 179.30 1nmr n GLY 8 N -1.13 2.82 2.04 2.39 0.00 -1.19 -4.69 105.19 105.43 1nmr n GLY 8 Ca -0.03 -1.44 -0.06 0.00 0.00 0.00 0.00 46.02 44.49 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 7.97 3.79 0.03 1.61 0.00 -1.26 -4.50 117.38 125.02 1nmr n GLN 9 Ca 0.49 -3.09 -0.13 0.00 0.00 0.00 0.00 57.00 54.27 1nmr n GLN 9 Cb 0.45 -2.23 -0.09 0.00 0.00 0.00 0.00 30.24 28.36 1nmr n GLN 9 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 177.06 176.09 1nmr h ASN 10 N 2.73 -0.09 -0.94 2.61 -0.00 -1.95 -3.03 115.58 114.91 1nmr h ASN 10 Ca 0.27 -0.37 0.21 0.00 -0.00 0.00 0.00 56.30 56.40 1nmr h ASN 10 Cb 2.37 0.02 -0.08 0.00 -0.00 0.00 0.00 38.32 40.63 1nmr h ASN 10 CO 0.76 0.34 0.61 -0.07 -0.00 0.00 0.00 177.43 179.07 1nmr h LEU 11 N -0.55 0.48 -0.01 0.34 3.38 -1.99 0.03 115.31 117.00 1nmr h LEU 11 Ca -0.01 0.05 -0.00 0.00 0.09 0.00 0.00 57.88 58.01 1nmr h LEU 11 Cb 0.46 -0.03 -0.00 0.00 0.09 0.00 0.00 40.66 41.18 1nmr h LEU 11 CO 0.02 0.18 0.00 0.28 0.09 0.00 0.00 178.44 179.01 1nmr h SER 12 N 0.48 0.01 0.66 -0.43 0.02 -1.86 0.45 113.55 112.87 1nmr h SER 12 Ca 0.50 -0.16 0.00 0.00 -0.84 0.00 0.00 61.79 61.29 1nmr h SER 12 Cb 1.15 -0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.68 1nmr h SER 12 CO -0.22 0.17 0.00 0.41 -1.14 0.00 0.00 176.83 176.05 1nmr n THR 13 N -5.01 0.81 -0.10 -2.27 -1.04 -0.41 -1.99 114.28 104.28 1nmr n THR 13 Ca -0.07 0.19 -0.20 0.00 -2.04 0.00 0.00 64.05 61.92 1nmr n THR 13 Cb 0.10 -0.94 -0.11 0.00 -1.82 0.00 0.00 70.33 67.56 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 0.90 -0.19 12.58 2.07 -0.43 -3.40 116.25 127.79 1nmr h VAL 14 Ca 0.00 -2.11 -0.06 0.00 0.82 0.00 0.00 66.70 65.35 1nmr h VAL 14 Cb 0.33 2.14 -0.00 0.00 -1.52 0.00 0.00 31.29 32.24 1nmr h VAL 14 CO 0.00 0.31 -0.11 0.25 0.02 0.00 0.00 177.57 178.03 1nmr h LEU 15 N -1.00 0.43 -3.89 2.57 5.85 -0.93 -3.21 115.31 115.13 1nmr h LEU 15 Ca -0.31 -0.43 -0.11 0.00 0.84 0.00 0.00 57.88 57.88 1nmr h LEU 15 Cb 1.23 -0.12 -0.04 0.00 0.37 0.00 0.00 40.66 42.11 1nmr h LEU 15 CO -0.19 0.77 -0.15 0.00 -0.34 0.00 0.00 178.44 178.53 1nmr n ALA 16 N -2.41 4.78 0.06 1.25 0.00 -0.84 -3.72 120.51 119.65 1nmr n ALA 16 Ca -0.05 -1.03 0.00 0.00 0.00 0.00 0.00 53.44 52.36 1nmr n ALA 16 Cb 0.34 -1.97 0.00 0.00 0.00 0.00 0.00 19.45 17.82 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 2.29 0.53 -3.88 0.00 4.05 -1.21 -4.93 115.26 112.11 1nmr n ASN 17 Ca 0.24 0.20 -0.30 0.00 0.45 0.00 0.00 54.58 55.17 1nmr n ASN 17 Cb 0.64 -0.07 -0.14 0.00 1.23 0.00 0.00 39.78 41.44 1nmr n ASN 17 CO 0.00 0.00 0.00 -0.76 -3.05 0.00 0.00 177.26 173.45 1nmr s LEU 18 N -6.51 3.78 -0.15 1.20 2.01 -1.24 -4.96 118.68 112.80 1nmr s LEU 18 Ca 0.00 -2.80 -0.27 0.00 0.01 0.00 0.00 54.13 51.07 1nmr s LEU 18 Cb 0.00 -1.43 -0.24 0.00 0.01 0.00 0.00 46.19 44.53 1nmr s LEU 18 CO 0.00 -0.26 0.65 0.74 1.01 0.00 0.00 176.35 178.49 1nmr h THR 19 N 5.52 1.59 -0.18 5.49 2.02 -1.95 -3.26 112.91 122.13 1nmr h THR 19 Ca -0.06 -2.28 -0.11 0.00 0.77 0.00 0.00 66.41 64.74 1nmr h THR 19 Cb 0.91 3.09 -0.01 0.00 -1.74 0.00 0.00 68.15 70.40 1nmr h THR 19 CO 0.61 0.54 -0.35 1.55 0.37 0.00 0.00 175.52 178.24 1nmr h PRO 20 N -1.00 0.39 -0.61 6.66 0.13 -1.97 -1.41 132.00 134.18 1nmr h PRO 20 Ca -0.06 -0.17 -0.01 0.00 -0.87 0.00 0.00 66.00 64.90 1nmr h PRO 20 Cb 1.02 -0.01 -0.03 0.00 0.13 0.00 0.00 31.00 32.11 1nmr h PRO 20 CO -0.03 0.69 0.34 1.49 -0.23 0.00 0.00 178.00 180.26 1nmr h GLU 21 N 0.33 0.84 0.08 0.86 4.81 -1.97 0.71 114.58 120.23 1nmr h GLU 21 Ca 0.04 -0.09 -0.00 0.00 -0.13 0.00 0.00 59.36 59.17 1nmr h GLU 21 Cb 0.77 -0.17 0.00 0.00 0.63 0.00 0.00 28.75 29.98 1nmr h GLU 21 CO 0.06 0.62 -0.04 1.96 -0.73 0.00 0.00 179.01 180.89 1nmr h GLN 22 N 0.82 -0.10 -0.89 1.92 1.08 -1.58 -2.57 115.11 113.79 1nmr h GLN 22 Ca 0.21 0.01 0.12 0.00 -1.45 0.00 0.00 58.65 57.54 1nmr h GLN 22 Cb 0.02 0.02 -0.08 0.00 -0.05 0.00 0.00 27.48 27.39 1nmr h GLN 22 CO -0.04 0.45 0.52 0.37 -0.95 0.00 0.00 178.83 179.18 1nmr h GLN 23 N -0.79 0.79 -0.45 1.46 4.15 -1.23 -0.94 115.11 118.09 1nmr h GLN 23 Ca -0.01 -0.05 -0.11 0.00 0.77 0.00 0.00 58.65 59.25 1nmr h GLN 23 Cb 0.60 -0.18 -0.02 0.00 0.21 0.00 0.00 27.48 28.09 1nmr h GLN 23 CO 0.02 0.52 -0.17 0.87 -1.93 0.00 0.00 178.83 178.15 1nmr h LYS 24 N 0.81 0.87 0.27 1.69 1.57 -0.92 -2.86 116.57 118.00 1nmr h LYS 24 Ca 0.45 -0.33 -0.00 0.00 -1.87 0.00 0.00 60.65 58.89 1nmr h LYS 24 Cb 0.49 -0.05 -0.01 0.00 0.08 0.00 0.00 32.23 32.74 1nmr h LYS 24 CO -0.29 0.97 -0.20 -0.97 -0.57 0.00 0.00 179.45 178.40 1nmr h ASN 25 N 0.77 -0.50 -0.42 0.86 -0.73 -0.76 0.16 115.58 114.96 1nmr h ASN 25 Ca 0.11 0.04 0.06 0.00 1.87 0.00 0.00 56.30 58.38 1nmr h ASN 25 Cb 0.69 0.16 -0.05 0.00 0.27 0.00 0.00 38.32 39.39 1nmr h ASN 25 CO 0.05 -0.31 0.11 1.62 -0.37 0.00 0.00 177.43 178.54 1nmr h VAL 26 N -0.47 0.82 -0.16 2.57 3.04 -1.38 0.27 116.25 120.94 1nmr h VAL 26 Ca -0.02 -0.09 -0.01 0.00 -1.01 0.00 0.00 66.70 65.58 1nmr h VAL 26 Cb 0.41 0.54 -0.01 0.00 -2.01 0.00 0.00 31.29 30.22 1nmr h VAL 26 CO 0.00 0.05 0.08 -0.07 -1.01 0.00 0.00 177.57 176.62 1nmr h LEU 27 N 0.26 0.21 0.05 3.16 3.38 -1.33 -1.15 115.31 119.89 1nmr h LEU 27 Ca 0.20 -0.12 -0.00 0.00 0.09 0.00 0.00 57.88 58.04 1nmr h LEU 27 Cb 0.22 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 40.92 1nmr h LEU 27 CO -0.23 0.28 -0.02 1.23 0.09 0.00 0.00 178.44 179.78 1nmr h GLY 28 N 0.13 -0.07 0.63 0.83 0.00 -0.23 0.35 103.07 104.71 1nmr h GLY 28 Ca 0.06 0.03 0.01 0.00 0.00 0.00 0.00 47.33 47.42 1nmr h GLY 28 CO -0.01 -0.02 -0.26 0.83 0.00 0.00 0.00 176.54 177.07 1nmr h GLU 29 N -0.12 -0.50 0.00 4.80 4.39 -0.45 0.42 114.58 123.12 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 0.10 0.11 0.00 0.00 -0.10 0.00 0.00 28.75 28.86 1nmr h GLU 29 CO 0.01 -0.33 0.00 0.00 -1.16 0.00 0.00 179.01 177.53 1nmr h ARG 30 N -0.52 0.00 0.15 2.33 2.47 -1.14 -3.16 114.38 114.50 1nmr h ARG 30 Ca 0.01 0.00 -0.01 0.00 -1.26 0.00 0.00 59.98 58.72 1nmr h ARG 30 Cb 0.51 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.83 1nmr h ARG 30 CO -0.10 0.00 -0.07 1.25 0.56 0.00 0.00 179.97 181.61 1nmr h LEU 31 N 0.00 -0.17 -1.38 3.04 5.85 0.18 -3.17 115.31 119.66 1nmr h LEU 31 Ca 0.00 0.01 0.28 0.00 0.84 0.00 0.00 57.88 59.01 1nmr h LEU 31 Cb 0.22 0.04 -0.10 0.00 0.37 0.00 0.00 40.66 41.20 1nmr h LEU 31 CO 0.00 0.27 0.69 0.22 -0.34 0.00 0.00 178.44 179.28 1nmr h TYR 32 N -0.98 0.63 -0.39 1.25 5.03 -1.21 -0.37 116.97 120.92 1nmr h TYR 32 Ca -0.02 0.02 -0.14 0.00 2.58 0.00 0.00 58.73 61.17 1nmr h TYR 32 Cb 0.15 -0.18 -0.01 0.00 1.55 0.00 0.00 36.73 38.25 1nmr h TYR 32 CO 0.00 0.03 -0.32 -0.97 -1.32 0.00 0.00 178.16 175.59 1nmr h ASN 33 N 0.35 0.92 -0.70 -2.11 -1.24 -1.66 1.82 115.58 112.96 1nmr h ASN 33 Ca 0.61 -0.39 -0.03 0.00 0.71 0.00 0.00 56.30 57.21 1nmr h ASN 33 Cb 1.62 -0.26 -0.03 0.00 0.73 0.00 0.00 38.32 40.38 1nmr h ASN 33 CO -0.30 1.15 0.33 1.12 -1.29 0.00 0.00 177.43 178.45 1nmr h HIS 34 N 0.73 1.02 0.00 0.67 2.07 -1.03 -3.17 115.15 115.45 1nmr h HIS 34 Ca 0.08 -0.05 -0.29 0.00 -2.85 0.00 0.00 60.37 57.26 1nmr h HIS 34 Cb 0.89 -0.32 -0.05 0.00 2.57 0.00 0.00 27.41 30.49 1nmr h HIS 34 CO 0.05 0.75 -2.07 1.51 -3.07 0.00 0.00 177.93 175.11 1nmr n ILE 35 N -4.32 1.29 -0.27 6.12 3.06 -1.12 -4.12 119.36 120.00 1nmr n ILE 35 Ca 0.07 -0.79 0.02 0.00 -2.50 0.00 0.00 62.75 59.54 1nmr n ILE 35 Cb 0.14 -0.59 0.09 0.00 0.54 0.00 0.00 39.64 39.82 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 0.22 0.00 9.51 3.04 0.29 2.93 116.25 132.24 1nmr h VAL 36 Ca -0.39 0.00 -0.06 0.00 -1.01 0.00 0.00 66.70 65.24 1nmr h VAL 36 Cb 1.99 0.22 -0.01 0.00 -2.01 0.00 0.00 31.29 31.49 1nmr h VAL 36 CO 0.04 0.00 -0.30 0.00 -1.01 0.00 0.00 177.57 176.30 1nmr h ALA 37 N 1.75 0.92 0.00 3.17 0.00 -1.78 -3.09 119.26 120.22 1nmr h ALA 37 Ca 0.37 -0.27 0.00 0.00 0.00 0.00 0.00 54.91 55.00 1nmr h ALA 37 Cb 0.57 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.31 1nmr h ALA 37 CO -0.80 0.37 -0.27 -0.89 0.00 0.00 0.00 179.25 177.66 1nmr n ILE 38 N -3.33 0.70 -3.73 0.00 2.08 0.27 -4.80 119.36 110.55 1nmr n ILE 38 Ca 0.01 0.36 -0.28 0.00 0.56 0.00 0.00 62.75 63.40 1nmr n ILE 38 Cb 0.53 -1.94 -0.11 0.00 -0.75 0.00 0.00 39.64 37.37 1nmr n ILE 38 CO 0.00 0.00 0.00 -3.20 0.56 0.00 0.00 176.55 173.91 1nmr n ASN 39 N -3.43 2.68 -0.21 4.38 5.15 0.91 -4.94 115.26 119.81 1nmr n ASN 39 Ca -0.04 -3.15 0.25 0.00 -0.60 0.00 0.00 54.58 51.05 1nmr n ASN 39 Cb 0.14 -0.72 0.65 0.00 -0.53 0.00 0.00 39.78 39.33 1nmr n ASN 39 CO 0.00 0.00 0.00 -0.65 1.40 0.00 0.00 177.26 178.01 1nmr h PRO 40 N 5.14 0.14 -1.81 1.20 0.11 -1.52 -1.40 132.00 133.87 1nmr h PRO 40 Ca 0.17 -0.01 -0.52 0.00 0.11 0.00 0.00 66.00 65.75 1nmr h PRO 40 Cb 0.76 -0.03 -0.19 0.00 0.11 0.00 0.00 31.00 31.64 1nmr h PRO 40 CO 0.69 0.09 0.55 0.00 -0.21 0.00 0.00 178.00 179.13 1nmr n ALA 41 N -2.64 6.19 0.00 -0.75 0.00 -1.26 -3.97 120.51 118.08 1nmr n ALA 41 Ca 0.19 -2.98 0.00 0.00 0.00 0.00 0.00 53.44 50.65 1nmr n ALA 41 Cb 0.88 -1.93 0.00 0.00 0.00 0.00 0.00 19.45 18.40 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 0.37 0.05 -0.36 0.00 0.00 -0.55 -4.82 120.51 115.19 1nmr n ALA 42 Ca 0.47 0.00 -0.00 0.00 0.00 0.00 0.00 53.44 53.91 1nmr n ALA 42 Cb 0.52 0.00 0.05 0.00 0.00 0.00 0.00 19.45 20.01 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 -1.46 -0.08 -0.28 0.00 0.00 -1.05 0.17 120.51 117.81 1nmr n ALA 43 Ca 0.00 0.95 0.18 0.00 0.00 0.00 0.00 53.44 54.58 1nmr n ALA 43 Cb 0.00 -0.44 0.48 0.00 0.00 0.00 0.00 19.45 19.48 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 1.37 2.12 0.02 0.00 0.00 -1.89 1.44 119.26 122.32 1nmr h ALA 44 Ca 0.34 0.03 -0.21 0.00 0.00 0.00 0.00 54.91 55.08 1nmr h ALA 44 Cb 0.58 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.31 1nmr h ALA 44 CO -0.94 -0.43 -1.12 0.87 0.00 0.00 0.00 179.25 177.63 1nmr h LYS 45 N 0.47 0.05 0.00 0.00 1.79 0.13 -3.04 116.57 115.97 1nmr h LYS 45 Ca 0.51 -0.08 -0.05 0.00 -2.18 0.00 0.00 60.65 58.84 1nmr h LYS 45 Cb 1.17 0.03 -0.01 0.00 -1.58 0.00 0.00 32.23 31.84 1nmr h LYS 45 CO -0.23 1.04 -0.24 0.28 -1.08 0.00 0.00 179.45 179.22 1nmr h VAL 46 N -0.84 0.92 0.02 0.50 2.07 0.15 0.12 116.25 119.17 1nmr h VAL 46 Ca -0.29 -0.90 -0.00 0.00 0.82 0.00 0.00 66.70 66.33 1nmr h VAL 46 Cb 1.36 1.52 0.00 0.00 -1.52 0.00 0.00 31.29 32.65 1nmr h VAL 46 CO -0.12 0.23 -0.01 0.74 0.02 0.00 0.00 177.57 178.43 1nmr h THR 47 N 0.00 0.94 0.14 2.57 2.02 0.18 -2.75 112.91 116.01 1nmr h THR 47 Ca -0.00 -1.65 -0.01 0.00 0.77 0.00 0.00 66.41 65.52 1nmr h THR 47 Cb 0.50 1.75 0.00 0.00 -1.74 0.00 0.00 68.15 68.67 1nmr h THR 47 CO 0.03 0.31 -0.07 1.23 0.37 0.00 0.00 175.52 177.40 1nmr h GLY 48 N -0.99 -0.19 0.72 2.16 0.00 -1.54 -3.36 103.07 99.87 1nmr h GLY 48 Ca -0.00 0.07 -0.00 0.00 0.00 0.00 0.00 47.33 47.40 1nmr h GLY 48 CO 0.00 -0.07 -0.04 -0.33 0.00 0.00 0.00 176.54 176.10 1nmr h MET 49 N -0.90 -0.11 0.00 4.80 2.07 -0.97 -3.40 114.93 116.42 1nmr h MET 49 Ca -0.02 0.01 0.00 0.00 -2.07 0.00 0.00 59.70 57.62 1nmr h MET 49 Cb 0.52 0.02 0.00 0.00 -1.87 0.00 0.00 31.60 30.27 1nmr h MET 49 CO 0.03 0.18 0.00 -0.11 1.07 0.00 0.00 176.91 178.08 1nmr n LEU 50 N -5.01 0.00 -3.64 1.22 7.94 -1.04 -3.16 117.00 113.31 1nmr n LEU 50 Ca -0.08 0.00 -0.43 0.00 -1.11 0.00 0.00 56.01 54.39 1nmr n LEU 50 Cb 0.18 0.00 -0.07 0.00 0.53 0.00 0.00 43.42 44.07 1nmr n LEU 50 CO 0.33 0.00 2.00 0.18 -1.11 0.00 0.00 177.39 178.78 1nmr n LEU 51 N 0.00 3.58 0.00 -1.96 4.32 -1.26 -3.64 117.00 118.04 1nmr n LEU 51 Ca 0.00 -2.69 -0.18 0.00 -0.02 0.00 0.00 56.01 53.12 1nmr n LEU 51 Cb 0.00 -1.04 0.09 0.00 -1.62 0.00 0.00 43.42 40.85 1nmr n LEU 51 CO 0.00 -0.67 0.43 -0.62 -1.22 0.00 0.00 177.39 175.31 1nmr n GLU 52 N 7.20 0.08 0.31 3.23 -0.58 -1.19 -4.86 120.64 124.83 1nmr n GLU 52 Ca 0.49 -2.17 -0.12 0.00 -0.42 0.00 0.00 57.16 54.94 1nmr n GLU 52 Cb 0.41 -0.50 -0.06 0.00 -0.57 0.00 0.00 31.44 30.72 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 -0.78 0.00 3.49 2.86 -1.95 -3.05 114.93 115.50 1nmr h MET 53 Ca -0.26 0.05 0.00 0.00 -2.06 0.00 0.00 59.70 57.44 1nmr h MET 53 Cb 0.97 0.18 0.00 0.00 0.06 0.00 0.00 31.60 32.80 1nmr h MET 53 CO 0.28 -0.52 0.00 -0.40 1.06 0.00 0.00 176.91 177.33 1nmr n ASP 54 N -5.01 0.00 -0.33 1.22 5.75 -1.26 -3.71 116.55 113.21 1nmr n ASP 54 Ca -0.10 0.11 0.36 0.00 -0.01 0.00 0.00 54.79 55.14 1nmr n ASP 54 Cb 0.32 -0.16 0.74 0.00 -1.03 0.00 0.00 41.12 41.00 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 -1.91 -1.83 115.58 110.17 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 -0.96 -0.82 1.57 0.00 -1.60 -2.80 103.07 98.46 1nmr h GLY 56 Ca 0.57 0.36 0.16 0.00 0.00 0.00 0.00 47.33 48.42 1nmr h GLY 56 CO -0.01 -0.35 -0.22 1.18 0.00 0.00 0.00 176.54 177.14 1nmr n GLU 57 N -4.57 -0.09 -0.21 4.80 -0.58 -0.69 0.18 120.64 119.48 1nmr n GLU 57 Ca -0.11 1.28 -0.02 0.00 -0.42 0.00 0.00 57.16 57.88 1nmr n GLU 57 Cb 0.36 -1.91 0.09 0.00 -0.57 0.00 0.00 31.44 29.42 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 0.93 -1.19 -3.67 2.04 -1.60 -2.16 117.51 111.86 1nmr h ILE 58 Ca 0.38 -0.20 0.41 0.00 1.00 0.00 0.00 64.86 66.45 1nmr h ILE 58 Cb 0.59 0.29 -0.12 0.00 -0.74 0.00 0.00 36.82 36.84 1nmr h ILE 58 CO -0.84 0.11 0.77 0.00 0.00 0.00 0.00 178.15 178.19 1nmr n LEU 59 N -4.85 0.17 -0.19 1.44 -0.00 0.47 0.32 117.00 114.36 1nmr n LEU 59 Ca 0.08 1.17 0.30 0.00 -0.00 0.00 0.00 56.01 57.55 1nmr n LEU 59 Cb 0.18 -0.57 0.62 0.00 -0.00 0.00 0.00 43.42 43.65 1nmr n LEU 59 CO 0.28 -1.27 1.27 -1.13 -0.00 0.00 0.00 177.39 176.54 1nmr h ASN 60 N 0.00 0.00 -1.55 1.45 -0.73 -1.40 0.23 115.58 113.57 1nmr h ASN 60 Ca 0.75 0.00 -0.63 0.00 1.87 0.00 0.00 56.30 58.29 1nmr h ASN 60 Cb 2.45 0.00 -0.38 0.00 0.27 0.00 0.00 38.32 40.65 1nmr h ASN 60 CO -0.38 0.00 -0.30 0.18 -0.37 0.00 0.00 177.43 176.56 1nmr n LEU 61 N -3.59 5.42 -1.91 0.34 4.77 0.15 -5.02 117.00 117.16 1nmr n LEU 61 Ca 0.21 -5.08 -0.06 0.00 -0.03 0.00 0.00 56.01 51.06 1nmr n LEU 61 Cb 1.28 -0.60 -0.06 0.00 -2.33 0.00 0.00 43.42 41.71 1nmr n LEU 61 CO 0.29 2.11 0.72 0.18 -1.33 0.00 0.00 177.39 179.36 1nmr n LEU 62 N -0.52 -0.76 -4.97 2.23 4.77 0.80 -4.83 117.00 113.72 1nmr n LEU 62 Ca 0.43 -0.41 -0.19 0.00 -0.03 0.00 0.00 56.01 55.81 1nmr n LEU 62 Cb 0.59 -0.25 -0.01 0.00 -2.33 0.00 0.00 43.42 41.42 1nmr n LEU 62 CO 0.39 -0.67 0.08 -1.81 -1.33 0.00 0.00 177.39 174.04 1nmr s ASP 63 N 0.00 5.58 -0.06 -1.43 1.01 -1.26 -4.99 116.67 115.52 1nmr s ASP 63 Ca 0.33 -0.43 -0.21 0.00 0.71 0.00 0.00 52.55 52.94 1nmr s ASP 63 Cb -0.21 -0.80 -0.17 0.00 1.01 0.00 0.00 42.92 42.75 1nmr s ASP 63 CO 0.14 -0.63 0.84 0.74 0.21 0.00 0.00 175.17 176.48 1nmr h THR 64 N 0.82 0.98 0.11 -1.27 2.02 -1.98 -3.16 112.91 110.44 1nmr h THR 64 Ca -0.42 -1.29 -0.01 0.00 0.77 0.00 0.00 66.41 65.46 1nmr h THR 64 Cb 1.27 1.68 0.00 0.00 -1.74 0.00 0.00 68.15 69.36 1nmr h THR 64 CO 0.50 0.27 -0.05 1.55 0.37 0.00 0.00 175.52 178.16 1nmr h PRO 65 N -0.85 -0.15 -0.43 6.66 0.13 -1.97 -2.89 132.00 132.50 1nmr h PRO 65 Ca -0.02 0.01 0.06 0.00 -0.87 0.00 0.00 66.00 65.19 1nmr h PRO 65 Cb 0.56 0.03 -0.09 0.00 0.13 0.00 0.00 31.00 31.63 1nmr h PRO 65 CO 0.03 -0.10 -0.48 0.78 -0.23 0.00 0.00 178.00 178.00 1nmr h GLY 66 N -0.68 -0.71 0.32 1.56 0.00 -1.96 0.39 103.07 101.99 1nmr h GLY 66 Ca -0.02 0.61 -0.02 0.00 0.00 0.00 0.00 47.33 47.91 1nmr h GLY 66 CO 0.03 -0.16 -0.16 1.41 0.00 0.00 0.00 176.54 177.66 1nmr h LEU 67 N -0.34 -0.39 -1.71 3.11 -0.00 -1.74 0.15 115.31 114.39 1nmr h LEU 67 Ca 0.12 0.02 0.23 0.00 -0.00 0.00 0.00 57.88 58.24 1nmr h LEU 67 Cb 0.59 0.10 -0.03 0.00 -0.00 0.00 0.00 40.66 41.32 1nmr h LEU 67 CO -0.60 -0.27 0.77 -0.07 -0.00 0.00 0.00 178.44 178.28 1nmr h LEU 68 N -0.44 0.00 0.01 1.67 4.07 -1.39 1.06 115.31 120.29 1nmr h LEU 68 Ca -0.04 0.00 -0.00 0.00 0.08 0.00 0.00 57.88 57.92 1nmr h LEU 68 Cb 0.34 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.08 1nmr h LEU 68 CO 0.07 0.00 -0.00 0.44 -1.08 0.00 0.00 178.44 177.86 1nmr h ASP 69 N 0.00 -0.01 0.31 -0.43 5.19 0.13 -3.24 116.42 118.37 1nmr h ASP 69 Ca 0.37 -0.08 0.00 0.00 -0.62 0.00 0.00 57.03 56.70 1nmr h ASP 69 Cb 1.91 0.00 0.00 0.00 0.18 0.00 0.00 39.33 41.42 1nmr h ASP 69 CO -0.00 0.53 0.00 0.00 -3.12 0.00 0.00 179.24 176.65 1nmr n ALA 70 N -2.77 2.07 -0.07 3.45 0.00 0.49 -2.65 120.51 121.04 1nmr n ALA 70 Ca -0.01 -0.10 -0.08 0.00 0.00 0.00 0.00 53.44 53.26 1nmr n ALA 70 Cb 0.04 -1.32 -0.06 0.00 0.00 0.00 0.00 19.45 18.12 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 -0.23 0.00 1.57 0.10 -3.02 116.57 114.99 1nmr h LYS 71 Ca 0.00 0.00 -0.09 0.00 -1.87 0.00 0.00 60.65 58.69 1nmr h LYS 71 Cb 0.15 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.46 1nmr h LYS 71 CO 0.00 0.44 -0.19 -0.39 -0.57 0.00 0.00 179.45 178.74 1nmr h VAL 72 N -1.00 1.32 0.00 0.50 -1.51 -1.59 -2.25 116.25 111.72 1nmr h VAL 72 Ca -0.04 -1.33 -0.03 0.00 -1.23 0.00 0.00 66.70 64.07 1nmr h VAL 72 Cb 0.54 1.67 -0.00 0.00 -2.13 0.00 0.00 31.29 31.37 1nmr h VAL 72 CO -0.02 0.41 -0.14 1.56 -1.23 0.00 0.00 177.57 178.15 1nmr h GLN 73 N 0.23 0.00 0.17 5.19 1.08 -1.70 0.72 115.11 120.81 1nmr h GLN 73 Ca 0.04 0.00 -0.31 0.00 -1.45 0.00 0.00 58.65 56.93 1nmr h GLN 73 Cb 0.73 0.00 0.01 0.00 -0.05 0.00 0.00 27.48 28.17 1nmr h GLN 73 CO 0.05 0.14 -1.45 1.49 -0.95 0.00 0.00 178.83 178.11 1nmr h GLU 74 N 0.00 0.37 0.14 1.46 4.22 -1.43 -2.50 114.58 116.85 1nmr h GLU 74 Ca -0.00 -0.63 -0.29 0.00 0.08 0.00 0.00 59.36 58.52 1nmr h GLU 74 Cb 0.37 0.23 0.01 0.00 0.50 0.00 0.00 28.75 29.86 1nmr h GLU 74 CO 0.02 1.28 -1.37 0.00 -2.18 0.00 0.00 179.01 176.76 1nmr h ALA 75 N 0.37 0.12 -0.26 2.92 0.00 -1.05 -2.78 119.26 118.59 1nmr h ALA 75 Ca -0.22 -0.96 -0.15 0.00 0.00 0.00 0.00 54.91 53.58 1nmr h ALA 75 Cb 2.06 0.12 -0.01 0.00 0.00 0.00 0.00 17.79 19.97 1nmr h ALA 75 CO 0.21 0.99 -0.46 -0.07 0.00 0.00 0.00 179.25 179.92 1nmr h LEU 76 N 0.08 0.73 -0.35 0.00 3.38 0.33 -0.78 115.31 118.71 1nmr h LEU 76 Ca -0.19 -0.36 -0.13 0.00 0.09 0.00 0.00 57.88 57.30 1nmr h LEU 76 Cb 2.01 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 42.55 1nmr h LEU 76 CO 0.20 1.08 -0.30 -0.08 0.09 0.00 0.00 178.44 179.43 1nmr h GLU 77 N 0.54 0.81 0.00 1.13 4.81 -1.54 -2.74 114.58 117.59 1nmr h GLU 77 Ca 0.03 -0.41 0.00 0.00 -0.13 0.00 0.00 59.36 58.85 1nmr h GLU 77 Cb 1.01 0.01 0.00 0.00 0.63 0.00 0.00 28.75 30.40 1nmr h GLU 77 CO 0.10 1.04 0.00 1.55 -0.73 0.00 0.00 179.01 180.97 1nmr n VAL 78 N -4.19 0.01 0.22 0.32 3.14 -1.05 -4.03 118.33 112.74 1nmr n VAL 78 Ca -0.03 0.00 -0.09 0.00 -2.96 0.00 0.00 64.34 61.27 1nmr n VAL 78 Cb 0.49 -0.51 -0.04 0.00 -1.06 0.00 0.00 33.84 32.72 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 0.00 -0.48 -0.32 6.55 6.46 -0.81 -2.97 115.31 123.74 1nmr h LEU 79 Ca 0.00 0.02 0.00 0.00 -0.12 0.00 0.00 57.88 57.78 1nmr h LEU 79 Cb 0.22 0.12 0.00 0.00 -0.73 0.00 0.00 40.66 40.27 1nmr h LEU 79 CO 0.00 -0.31 0.00 0.59 -0.62 0.00 0.00 178.44 178.10 1nmr n ASN 80 N -3.67 0.28 -0.27 1.25 3.02 -1.26 -3.93 115.26 110.68 1nmr n ASN 80 Ca -0.07 -1.75 0.00 0.00 -0.03 0.00 0.00 54.58 52.73 1nmr n ASN 80 Cb 0.22 -0.14 0.00 0.00 -0.61 0.00 0.00 39.78 39.25 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 -0.32 0.58 -2.33 3.52 5.12 -1.12 -4.78 116.66 117.31 1nmr n ARG 81 Ca 0.00 0.00 -0.42 0.00 -1.93 0.00 0.00 57.85 55.50 1nmr n ARG 81 Cb 0.07 -1.16 -0.03 0.00 -1.16 0.00 0.00 32.46 30.19 1nmr n ARG 81 CO 0.00 0.00 0.00 -1.01 -1.93 0.00 0.00 177.63 174.69 1nmr s HIS 82 N -1.46 3.06 0.06 -1.55 3.76 -1.25 -5.01 115.29 112.90 1nmr s HIS 82 Ca 0.00 1.03 -0.13 0.00 -0.15 0.00 0.00 55.06 55.80 1nmr s HIS 82 Cb 0.00 -3.54 0.02 0.00 1.11 0.00 0.00 32.58 30.16 1nmr s HIS 82 CO 0.00 -1.88 0.30 -1.64 -0.85 0.00 0.00 174.74 170.67 1nmr s MET 83 N 2.14 0.86 -0.56 1.40 -1.94 -1.26 -5.05 119.30 114.89 1nmr s MET 83 Ca 0.60 -0.60 0.01 0.00 -1.71 0.00 0.00 55.69 53.98 1nmr s MET 83 Cb -0.29 0.37 0.53 0.00 2.01 0.00 0.00 34.83 37.45 1nmr s MET 83 CO 0.25 -0.29 1.98 0.09 -0.01 0.00 0.00 175.02 177.04 1nmr n ASN 84 N 0.35 5.98 0.00 3.03 3.02 -1.26 -5.30 115.26 121.08 1nmr n ASN 84 Ca -0.18 -3.67 0.00 0.00 -0.03 0.00 0.00 54.58 50.70 1nmr n ASN 84 Cb 0.61 -0.92 0.00 0.00 -0.61 0.00 0.00 39.78 38.86 1nmr n ASN 84 CO 0.00 0.00 0.00 0.55 -2.62 0.00 0.00 177.26 175.19