#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 -1.51 -0.01 1.61 7.64 -1.26 -5.06 113.62 115.03 1nmr n SER 2 Ca 0.00 0.38 -0.01 0.00 1.01 0.00 0.00 58.87 60.24 1nmr n SER 2 Cb 0.00 1.63 -0.00 0.00 -1.01 0.00 0.00 64.21 64.82 1nmr n SER 2 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 1nmr n SER 3 N -2.94 0.24 -4.87 6.43 7.64 -1.26 -5.02 113.62 113.85 1nmr n SER 3 Ca 0.00 0.04 -0.33 0.00 1.01 0.00 0.00 58.87 59.59 1nmr n SER 3 Cb 0.00 -0.51 -0.05 0.00 -1.01 0.00 0.00 64.21 62.63 1nmr n SER 3 CO 0.00 0.00 0.00 -1.48 -3.01 0.00 0.00 175.04 170.55 1nmr s LEU 4 N -5.37 4.22 0.76 -3.43 2.34 -1.26 -5.11 118.68 110.82 1nmr s LEU 4 Ca -0.04 0.27 -0.09 0.00 0.06 0.00 0.00 54.13 54.33 1nmr s LEU 4 Cb 0.00 -2.54 0.07 0.00 -0.56 0.00 0.00 46.19 43.17 1nmr s LEU 4 CO 0.05 0.25 1.09 0.00 -1.06 0.00 0.00 176.35 176.69 1nmr s ALA 5 N -1.31 2.93 0.07 1.48 0.00 -1.26 -3.86 121.76 119.81 1nmr s ALA 5 Ca 0.27 -0.83 0.03 0.00 0.00 0.00 0.00 51.96 51.42 1nmr s ALA 5 Cb -0.12 -2.75 -0.24 0.00 0.00 0.00 0.00 23.12 20.01 1nmr s ALA 5 CO 0.18 -1.50 1.12 1.03 0.00 0.00 0.00 175.76 176.59 1nmr h SER 6 N -0.82 0.19 0.00 0.00 0.87 -2.04 -3.38 113.55 108.36 1nmr h SER 6 Ca -0.45 -0.22 -0.57 0.00 -1.23 0.00 0.00 61.79 59.32 1nmr h SER 6 Cb 1.32 -0.06 0.02 0.00 -0.44 0.00 0.00 62.40 63.24 1nmr h SER 6 CO 0.62 1.18 2.77 0.00 -0.53 0.00 0.00 176.83 180.86 1nmr n GLN 7 N -3.39 2.24 0.00 2.24 6.02 -1.26 -4.75 117.38 118.48 1nmr n GLN 7 Ca -0.07 -1.90 0.00 0.00 -0.01 0.00 0.00 57.00 55.03 1nmr n GLN 7 Cb 0.99 -2.81 0.00 0.00 1.02 0.00 0.00 30.24 29.44 1nmr n GLN 7 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1nmr n GLY 8 N 4.07 0.79 2.34 1.08 0.00 -1.26 -4.49 105.19 107.72 1nmr n GLY 8 Ca 0.52 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 46.15 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 0.00 3.68 0.13 1.61 -0.00 -1.26 -4.60 117.38 116.94 1nmr n GLN 9 Ca 0.00 -2.25 -0.12 0.00 -0.00 0.00 0.00 57.00 54.63 1nmr n GLN 9 Cb 0.00 -2.82 -0.07 0.00 -0.00 0.00 0.00 30.24 27.34 1nmr n GLN 9 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 177.06 176.15 1nmr h ASN 10 N 5.05 -0.32 -0.78 2.61 4.21 -1.93 -2.78 115.58 121.62 1nmr h ASN 10 Ca 0.86 -0.21 0.09 0.00 1.21 0.00 0.00 56.30 58.25 1nmr h ASN 10 Cb 0.30 0.08 -0.05 0.00 -1.12 0.00 0.00 38.32 37.53 1nmr h ASN 10 CO 1.79 0.12 0.51 0.17 -1.29 0.00 0.00 177.43 178.73 1nmr h LEU 11 N -0.87 0.66 0.44 1.61 -0.00 -1.95 0.14 115.31 115.34 1nmr h LEU 11 Ca -0.04 0.02 -0.02 0.00 -0.00 0.00 0.00 57.88 57.83 1nmr h LEU 11 Cb 0.52 -0.12 0.00 0.00 -0.00 0.00 0.00 40.66 41.06 1nmr h LEU 11 CO 0.06 0.39 -0.21 0.28 -0.00 0.00 0.00 178.44 178.97 1nmr h SER 12 N 0.73 -0.50 0.12 0.17 0.02 -1.91 -0.55 113.55 111.62 1nmr h SER 12 Ca 0.36 0.01 -0.09 0.00 -0.84 0.00 0.00 61.79 61.22 1nmr h SER 12 Cb 0.43 0.13 -0.01 0.00 0.14 0.00 0.00 62.40 63.08 1nmr h SER 12 CO -0.14 -0.34 -0.31 0.74 -1.14 0.00 0.00 176.83 175.64 1nmr h THR 13 N -0.62 1.27 0.20 -2.27 2.02 -1.16 -2.10 112.91 110.26 1nmr h THR 13 Ca -0.06 -1.28 -0.01 0.00 0.77 0.00 0.00 66.41 65.82 1nmr h THR 13 Cb 0.47 1.49 0.00 0.00 -1.74 0.00 0.00 68.15 68.37 1nmr h THR 13 CO 0.10 0.39 -0.09 0.58 0.37 0.00 0.00 175.52 176.87 1nmr h VAL 14 N 0.26 0.00 -0.07 3.16 2.07 -0.51 -3.10 116.25 118.05 1nmr h VAL 14 Ca 0.04 -0.05 -0.03 0.00 0.82 0.00 0.00 66.70 67.48 1nmr h VAL 14 Cb 0.67 0.00 -0.02 0.00 -1.52 0.00 0.00 31.29 30.43 1nmr h VAL 14 CO 0.05 0.00 0.04 0.18 0.02 0.00 0.00 177.57 177.86 1nmr n LEU 15 N -2.83 2.92 0.14 2.57 4.32 -0.23 -4.01 117.00 119.87 1nmr n LEU 15 Ca -0.03 -1.47 -0.01 0.00 -0.02 0.00 0.00 56.01 54.47 1nmr n LEU 15 Cb 0.10 -0.52 0.17 0.00 -1.62 0.00 0.00 43.42 41.54 1nmr n LEU 15 CO 0.08 0.49 0.49 0.00 -1.22 0.00 0.00 177.39 177.23 1nmr h ALA 16 N 1.97 0.94 -0.17 -1.18 0.00 -1.30 -3.06 119.26 116.46 1nmr h ALA 16 Ca 0.04 -0.56 0.00 0.00 0.00 0.00 0.00 54.91 54.39 1nmr h ALA 16 Cb 1.04 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.73 1nmr h ALA 16 CO 0.08 0.78 0.00 -1.71 0.00 0.00 0.00 179.25 178.39 1nmr n ASN 17 N -3.75 2.88 -2.03 0.00 4.05 -1.26 -4.38 115.26 110.78 1nmr n ASN 17 Ca -0.01 -1.86 -0.14 0.00 0.45 0.00 0.00 54.58 53.01 1nmr n ASN 17 Cb 0.63 -0.10 0.05 0.00 1.23 0.00 0.00 39.78 41.58 1nmr n ASN 17 CO 0.00 0.00 0.00 0.18 -3.05 0.00 0.00 177.26 174.39 1nmr n LEU 18 N 1.15 3.79 -0.05 1.20 4.32 -1.16 -4.80 117.00 121.44 1nmr n LEU 18 Ca 0.14 -4.17 -0.19 0.00 -0.02 0.00 0.00 56.01 51.76 1nmr n LEU 18 Cb 0.51 -0.17 -0.13 0.00 -1.62 0.00 0.00 43.42 42.01 1nmr n LEU 18 CO 0.13 1.73 -0.22 0.74 -1.22 0.00 0.00 177.39 178.55 1nmr h THR 19 N 3.00 1.22 -0.43 -5.08 2.02 -1.75 -3.12 112.91 108.77 1nmr h THR 19 Ca 0.19 -2.31 -0.14 0.00 0.77 0.00 0.00 66.41 64.92 1nmr h THR 19 Cb 1.43 2.74 -0.01 0.00 -1.74 0.00 0.00 68.15 70.58 1nmr h THR 19 CO 0.52 0.54 -0.28 1.55 0.37 0.00 0.00 175.52 178.22 1nmr h PRO 20 N -0.74 0.95 -0.08 6.66 0.13 -1.92 0.16 132.00 137.16 1nmr h PRO 20 Ca -0.23 -0.45 -0.02 0.00 -0.87 0.00 0.00 66.00 64.44 1nmr h PRO 20 Cb 1.39 -0.01 -0.00 0.00 0.13 0.00 0.00 31.00 32.50 1nmr h PRO 20 CO -0.05 1.11 -0.01 1.49 -0.23 0.00 0.00 178.00 180.30 1nmr h GLU 21 N 0.79 0.16 0.30 0.86 4.81 -1.90 0.07 114.58 119.66 1nmr h GLU 21 Ca 0.09 -0.06 -0.01 0.00 -0.13 0.00 0.00 59.36 59.25 1nmr h GLU 21 Cb 0.86 -0.01 0.00 0.00 0.63 0.00 0.00 28.75 30.23 1nmr h GLU 21 CO 0.08 0.46 -0.14 1.96 -0.73 0.00 0.00 179.01 180.64 1nmr h GLN 22 N -0.17 -0.39 -0.87 1.92 1.08 -1.58 -1.87 115.11 113.24 1nmr h GLN 22 Ca 0.02 0.03 0.13 0.00 -1.45 0.00 0.00 58.65 57.38 1nmr h GLN 22 Cb 0.40 0.09 -0.09 0.00 -0.05 0.00 0.00 27.48 27.83 1nmr h GLN 22 CO 0.01 -0.05 0.48 0.37 -0.95 0.00 0.00 178.83 178.68 1nmr h GLN 23 N -0.82 0.69 0.00 1.46 5.75 -0.76 -1.88 115.11 119.56 1nmr h GLN 23 Ca -0.04 -0.04 -0.00 0.00 -0.15 0.00 0.00 58.65 58.42 1nmr h GLN 23 Cb 0.52 -0.16 0.00 0.00 1.07 0.00 0.00 27.48 28.91 1nmr h GLN 23 CO 0.07 0.46 -0.00 0.87 -2.65 0.00 0.00 178.83 177.57 1nmr h LYS 24 N 0.71 -0.00 -0.22 1.69 1.79 -0.96 -1.62 116.57 117.96 1nmr h LYS 24 Ca 0.46 0.00 0.06 0.00 -2.18 0.00 0.00 60.65 58.99 1nmr h LYS 24 Cb 0.58 0.00 -0.07 0.00 -1.58 0.00 0.00 32.23 31.16 1nmr h LYS 24 CO -0.32 0.16 -0.23 -0.97 -1.08 0.00 0.00 179.45 177.01 1nmr h ASN 25 N -0.16 -0.74 -0.28 0.86 -1.24 -0.58 0.47 115.58 113.90 1nmr h ASN 25 Ca -0.00 0.13 0.01 0.00 0.71 0.00 0.00 56.30 57.15 1nmr h ASN 25 Cb 0.16 0.35 -0.02 0.00 0.73 0.00 0.00 38.32 39.54 1nmr h ASN 25 CO 0.00 -0.27 0.17 1.62 -1.29 0.00 0.00 177.43 177.65 1nmr h VAL 26 N -0.25 1.03 0.04 2.57 3.04 -1.35 0.96 116.25 122.30 1nmr h VAL 26 Ca 0.13 -0.12 0.00 0.00 -1.01 0.00 0.00 66.70 65.71 1nmr h VAL 26 Cb 0.45 0.66 -0.01 0.00 -2.01 0.00 0.00 31.29 30.38 1nmr h VAL 26 CO -0.37 0.06 -0.04 -0.07 -1.01 0.00 0.00 177.57 176.14 1nmr h LEU 27 N 0.34 -0.12 -0.42 3.16 3.38 -0.69 -1.54 115.31 119.42 1nmr h LEU 27 Ca 0.11 0.01 -0.00 0.00 0.09 0.00 0.00 57.88 58.09 1nmr h LEU 27 Cb -0.01 0.04 -0.02 0.00 0.09 0.00 0.00 40.66 40.77 1nmr h LEU 27 CO -0.05 -0.07 0.25 1.23 0.09 0.00 0.00 178.44 179.89 1nmr h GLY 28 N -0.10 0.62 0.77 0.83 0.00 0.13 0.32 103.07 105.64 1nmr h GLY 28 Ca 0.01 -0.26 -0.00 0.00 0.00 0.00 0.00 47.33 47.07 1nmr h GLY 28 CO -0.02 0.25 -0.24 0.83 0.00 0.00 0.00 176.54 177.36 1nmr h GLU 29 N 0.56 -0.53 0.00 4.80 4.39 -0.66 0.40 114.58 123.54 1nmr h GLU 29 Ca 0.15 0.04 -0.04 0.00 0.34 0.00 0.00 59.36 59.85 1nmr h GLU 29 Cb 0.01 0.12 -0.01 0.00 -0.10 0.00 0.00 28.75 28.77 1nmr h GLU 29 CO -0.03 -0.35 -0.17 0.00 -1.16 0.00 0.00 179.01 177.30 1nmr h ARG 30 N -0.55 0.00 0.26 2.33 3.08 -1.21 -3.21 114.38 115.08 1nmr h ARG 30 Ca -0.02 0.00 -0.01 0.00 0.07 0.00 0.00 59.98 60.02 1nmr h ARG 30 Cb 0.49 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.54 1nmr h ARG 30 CO -0.02 0.17 -0.13 1.25 -1.07 0.00 0.00 179.97 180.17 1nmr h LEU 31 N 0.00 -0.30 -1.99 3.04 6.46 0.17 -3.20 115.31 119.50 1nmr h LEU 31 Ca -0.00 0.01 0.44 0.00 -0.12 0.00 0.00 57.88 58.21 1nmr h LEU 31 Cb 0.62 0.08 -0.06 0.00 -0.73 0.00 0.00 40.66 40.56 1nmr h LEU 31 CO 0.02 0.11 1.10 0.22 -0.62 0.00 0.00 178.44 179.27 1nmr h TYR 32 N -1.01 0.00 -0.24 1.25 5.03 -0.99 0.92 116.97 121.93 1nmr h TYR 32 Ca -0.04 0.00 -0.14 0.00 2.58 0.00 0.00 58.73 61.13 1nmr h TYR 32 Cb 0.27 0.00 -0.01 0.00 1.55 0.00 0.00 36.73 38.54 1nmr h TYR 32 CO 0.01 0.00 -0.45 -0.97 -1.32 0.00 0.00 178.16 175.43 1nmr h ASN 33 N 0.00 0.65 -0.84 -2.11 -1.24 -1.60 1.00 115.58 111.45 1nmr h ASN 33 Ca 0.72 -0.31 -0.03 0.00 0.71 0.00 0.00 56.30 57.39 1nmr h ASN 33 Cb 2.90 -0.18 -0.04 0.00 0.73 0.00 0.00 38.32 41.73 1nmr h ASN 33 CO -0.01 1.00 0.41 1.12 -1.29 0.00 0.00 177.43 178.67 1nmr h HIS 34 N 0.49 1.20 0.00 0.67 2.07 0.89 -3.24 115.15 117.24 1nmr h HIS 34 Ca 0.03 -0.06 -0.31 0.00 -2.85 0.00 0.00 60.37 57.19 1nmr h HIS 34 Cb 0.97 -0.37 -0.06 0.00 2.57 0.00 0.00 27.41 30.52 1nmr h HIS 34 CO 0.04 0.87 -2.08 1.51 -3.07 0.00 0.00 177.93 175.20 1nmr n ILE 35 N -4.32 1.37 -0.18 6.12 3.06 -1.15 -3.93 119.36 120.32 1nmr n ILE 35 Ca 0.08 -0.81 -0.02 0.00 -2.50 0.00 0.00 62.75 59.51 1nmr n ILE 35 Cb 0.14 -0.64 0.05 0.00 0.54 0.00 0.00 39.64 39.73 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 0.47 0.00 9.51 3.04 0.10 3.28 116.25 132.66 1nmr h VAL 36 Ca -0.41 -0.01 -0.11 0.00 -1.01 0.00 0.00 66.70 65.16 1nmr h VAL 36 Cb 2.06 0.45 -0.02 0.00 -2.01 0.00 0.00 31.29 31.77 1nmr h VAL 36 CO 0.04 0.00 -0.54 0.00 -1.01 0.00 0.00 177.57 176.06 1nmr h ALA 37 N 1.54 0.88 0.00 3.17 0.00 -1.78 -3.03 119.26 120.04 1nmr h ALA 37 Ca 0.27 -0.50 0.00 0.00 0.00 0.00 0.00 54.91 54.68 1nmr h ALA 37 Cb 0.41 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.12 1nmr h ALA 37 CO -0.54 0.68 -0.22 0.82 0.00 0.00 0.00 179.25 179.99 1nmr h ILE 38 N 0.00 0.00 -2.89 0.00 5.03 -0.91 -3.44 117.51 115.30 1nmr h ILE 38 Ca -0.01 -0.57 -0.61 0.00 -0.12 0.00 0.00 64.86 63.55 1nmr h ILE 38 Cb 1.12 0.00 -0.41 0.00 -3.03 0.00 0.00 36.82 34.50 1nmr h ILE 38 CO 0.07 0.00 -0.64 -3.20 -0.68 0.00 0.00 178.15 173.70 1nmr n ASN 39 N -3.59 2.51 -0.30 1.72 5.15 1.07 -4.95 115.26 116.86 1nmr n ASN 39 Ca -0.03 -3.10 0.13 0.00 -0.60 0.00 0.00 54.58 50.99 1nmr n ASN 39 Cb 0.11 -0.72 0.37 0.00 -0.53 0.00 0.00 39.78 39.02 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 5.31 0.67 -1.83 1.20 0.11 -1.45 -2.17 132.00 133.84 1nmr h PRO 40 Ca 0.17 -0.04 -0.28 0.00 0.11 0.00 0.00 66.00 65.96 1nmr h PRO 40 Cb 0.77 -0.15 -0.11 0.00 0.11 0.00 0.00 31.00 31.62 1nmr h PRO 40 CO 0.67 0.44 0.18 0.00 -0.21 0.00 0.00 178.00 179.08 1nmr n ALA 41 N -2.41 5.50 0.00 -0.75 0.00 -1.26 -3.66 120.51 117.93 1nmr n ALA 41 Ca 0.20 -1.74 0.00 0.00 0.00 0.00 0.00 53.44 51.90 1nmr n ALA 41 Cb 0.54 -1.69 0.00 0.00 0.00 0.00 0.00 19.45 18.30 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 1.12 0.05 -0.39 0.00 0.00 -0.85 -4.70 120.51 115.75 1nmr n ALA 42 Ca 0.32 0.00 -0.03 0.00 0.00 0.00 0.00 53.44 53.73 1nmr n ALA 42 Cb 0.62 0.00 0.02 0.00 0.00 0.00 0.00 19.45 20.09 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 -1.34 -0.20 -0.27 0.00 0.00 -1.00 0.14 120.51 117.84 1nmr n ALA 43 Ca 0.00 0.97 0.22 0.00 0.00 0.00 0.00 53.44 54.63 1nmr n ALA 43 Cb 0.00 -0.40 0.54 0.00 0.00 0.00 0.00 19.45 19.59 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 1.25 2.32 0.15 0.00 0.00 -1.89 1.09 119.26 122.17 1nmr h ALA 44 Ca 0.32 0.03 -0.26 0.00 0.00 0.00 0.00 54.91 54.99 1nmr h ALA 44 Cb 0.57 0.01 0.01 0.00 0.00 0.00 0.00 17.79 18.37 1nmr h ALA 44 CO -0.98 -0.64 -1.27 0.87 0.00 0.00 0.00 179.25 177.22 1nmr h LYS 45 N 0.35 0.31 -0.32 0.00 1.57 0.77 -2.96 116.57 116.29 1nmr h LYS 45 Ca 0.51 -0.53 -0.09 0.00 -1.87 0.00 0.00 60.65 58.68 1nmr h LYS 45 Cb 1.39 0.20 -0.02 0.00 0.08 0.00 0.00 32.23 33.88 1nmr h LYS 45 CO -0.19 1.25 -0.18 0.28 -0.57 0.00 0.00 179.45 180.04 1nmr h VAL 46 N -0.24 1.26 0.09 0.50 2.07 0.17 -0.95 116.25 119.15 1nmr h VAL 46 Ca -0.25 -1.19 -0.00 0.00 0.82 0.00 0.00 66.70 66.07 1nmr h VAL 46 Cb 1.80 1.21 0.00 0.00 -1.52 0.00 0.00 31.29 32.79 1nmr h VAL 46 CO 0.12 0.39 -0.04 0.74 0.02 0.00 0.00 177.57 178.80 1nmr h THR 47 N 0.53 0.84 0.31 2.57 2.02 0.10 0.29 112.91 119.57 1nmr h THR 47 Ca 0.09 -1.39 -0.02 0.00 0.77 0.00 0.00 66.41 65.86 1nmr h THR 47 Cb 0.61 1.51 0.00 0.00 -1.74 0.00 0.00 68.15 68.53 1nmr h THR 47 CO 0.04 0.25 -0.15 1.23 0.37 0.00 0.00 175.52 177.27 1nmr h GLY 48 N -0.94 -0.44 0.49 2.16 0.00 -1.60 -3.31 103.07 99.43 1nmr h GLY 48 Ca -0.01 0.16 -0.00 0.00 0.00 0.00 0.00 47.33 47.48 1nmr h GLY 48 CO 0.02 -0.16 -0.01 -0.33 0.00 0.00 0.00 176.54 176.06 1nmr h MET 49 N -0.71 -0.03 0.00 4.80 2.07 -1.36 -3.42 114.93 116.28 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 0.49 0.01 0.00 0.00 -1.87 0.00 0.00 31.60 30.22 1nmr h MET 49 CO 0.07 0.47 0.00 -0.11 1.07 0.00 0.00 176.91 178.41 1nmr n LEU 50 N -4.86 0.00 -3.77 1.22 7.94 0.09 -3.49 117.00 114.13 1nmr n LEU 50 Ca -0.09 0.00 -0.41 0.00 -1.11 0.00 0.00 56.01 54.40 1nmr n LEU 50 Cb 0.26 0.00 -0.06 0.00 0.53 0.00 0.00 43.42 44.15 1nmr n LEU 50 CO 0.33 0.00 2.01 0.18 -1.11 0.00 0.00 177.39 178.80 1nmr n LEU 51 N 0.00 3.88 -4.99 -1.96 4.32 -1.26 -3.75 117.00 113.24 1nmr n LEU 51 Ca 0.00 -2.91 -0.22 0.00 -0.02 0.00 0.00 56.01 52.86 1nmr n LEU 51 Cb 0.00 -1.20 0.08 0.00 -1.62 0.00 0.00 43.42 40.69 1nmr n LEU 51 CO 0.00 -0.61 0.48 -1.61 -1.22 0.00 0.00 177.39 174.42 1nmr s GLU 52 N 5.25 1.97 0.05 3.23 0.41 -1.23 -4.86 118.70 123.53 1nmr s GLU 52 Ca 0.59 -1.10 -0.33 0.00 -0.41 0.00 0.00 54.97 53.72 1nmr s GLU 52 Cb 0.12 -2.41 -0.18 0.00 -1.78 0.00 0.00 34.13 29.88 1nmr s GLU 52 CO 0.13 -1.19 1.49 0.52 -0.49 0.00 0.00 175.26 175.72 1nmr h MET 53 N -0.29 -1.13 0.00 1.61 2.86 -1.96 -2.82 114.93 113.20 1nmr h MET 53 Ca -0.37 0.08 0.00 0.00 -2.06 0.00 0.00 59.70 57.35 1nmr h MET 53 Cb 1.28 0.26 0.00 0.00 0.06 0.00 0.00 31.60 33.19 1nmr h MET 53 CO 0.43 -0.75 -0.10 -3.47 1.06 0.00 0.00 176.91 174.08 1nmr n ASP 54 N -5.16 0.24 -0.59 1.22 -0.08 -1.26 -3.67 116.55 107.25 1nmr n ASP 54 Ca -0.15 0.16 0.47 0.00 -1.51 0.00 0.00 54.79 53.76 1nmr n ASP 54 Cb 0.46 -0.54 0.78 0.00 2.34 0.00 0.00 41.12 44.16 1nmr n ASP 54 CO 0.00 0.00 0.00 -1.13 0.12 0.00 0.00 177.20 176.19 1nmr h ASN 55 N -0.13 0.06 0.32 1.67 -0.00 -1.89 0.14 115.58 115.75 1nmr h ASN 55 Ca 0.00 0.03 -0.02 0.00 -0.00 0.00 0.00 56.30 56.32 1nmr h ASN 55 Cb 0.10 0.03 0.00 0.00 -0.00 0.00 0.00 38.32 38.45 1nmr h ASN 55 CO 0.00 -0.05 -0.15 1.23 -0.00 0.00 0.00 177.43 178.46 1nmr h GLY 56 N 0.02 -0.44 -0.66 1.57 0.00 -1.58 -3.26 103.07 98.71 1nmr h GLY 56 Ca 0.86 0.16 0.09 0.00 0.00 0.00 0.00 47.33 48.45 1nmr h GLY 56 CO -0.11 -0.16 -0.29 1.18 0.00 0.00 0.00 176.54 177.16 1nmr n GLU 57 N -5.06 -0.18 -0.26 4.80 -0.58 0.04 0.19 120.64 119.57 1nmr n GLU 57 Ca -0.07 1.02 0.01 0.00 -0.42 0.00 0.00 57.16 57.69 1nmr n GLU 57 Cb 0.22 -1.50 0.13 0.00 -0.57 0.00 0.00 31.44 29.72 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 0.95 -1.30 -3.67 5.03 -1.69 -2.12 117.51 114.71 1nmr h ILE 58 Ca 0.20 -0.26 0.44 0.00 -0.12 0.00 0.00 64.86 65.12 1nmr h ILE 58 Cb 0.37 0.13 -0.12 0.00 -3.03 0.00 0.00 36.82 34.17 1nmr h ILE 58 CO -0.65 0.14 0.86 0.00 -0.68 0.00 0.00 178.15 177.81 1nmr n LEU 59 N -4.75 0.16 -0.25 1.44 -0.00 0.50 0.42 117.00 114.52 1nmr n LEU 59 Ca 0.11 1.18 0.33 0.00 -0.00 0.00 0.00 56.01 57.63 1nmr n LEU 59 Cb 0.22 -0.58 0.67 0.00 -0.00 0.00 0.00 43.42 43.73 1nmr n LEU 59 CO 0.28 -1.27 1.30 -1.13 -0.00 0.00 0.00 177.39 176.57 1nmr h ASN 60 N 0.00 0.00 -1.97 1.45 -0.73 -1.38 -0.28 115.58 112.67 1nmr h ASN 60 Ca 0.79 0.00 -0.66 0.00 1.87 0.00 0.00 56.30 58.30 1nmr h ASN 60 Cb 2.65 0.00 -0.36 0.00 0.27 0.00 0.00 38.32 40.87 1nmr h ASN 60 CO -0.36 0.00 -0.04 0.18 -0.37 0.00 0.00 177.43 176.84 1nmr n LEU 61 N -3.76 5.67 -1.96 0.34 4.77 0.17 -5.02 117.00 117.21 1nmr n LEU 61 Ca 0.23 -5.31 -0.09 0.00 -0.03 0.00 0.00 56.01 50.81 1nmr n LEU 61 Cb 1.30 -0.73 -0.09 0.00 -2.33 0.00 0.00 43.42 41.56 1nmr n LEU 61 CO 0.33 2.15 0.89 0.18 -1.33 0.00 0.00 177.39 179.61 1nmr n LEU 62 N -0.35 -0.66 -4.84 2.23 4.77 -0.12 -4.82 117.00 113.21 1nmr n LEU 62 Ca 0.41 -0.27 -0.22 0.00 -0.03 0.00 0.00 56.01 55.91 1nmr n LEU 62 Cb 0.43 -0.23 -0.04 0.00 -2.33 0.00 0.00 43.42 41.24 1nmr n LEU 62 CO 0.40 -0.64 -0.05 -1.81 -1.33 0.00 0.00 177.39 173.97 1nmr s ASP 63 N 0.00 4.90 -0.12 -1.43 1.01 -1.26 -4.99 116.67 114.78 1nmr s ASP 63 Ca 0.54 -0.81 -0.27 0.00 0.71 0.00 0.00 52.55 52.72 1nmr s ASP 63 Cb -0.35 -0.57 -0.24 0.00 1.01 0.00 0.00 42.92 42.77 1nmr s ASP 63 CO 0.23 -0.60 0.81 0.74 0.21 0.00 0.00 175.17 176.57 1nmr h THR 64 N 1.15 1.64 0.09 -1.27 2.02 -1.98 -3.14 112.91 111.42 1nmr h THR 64 Ca -0.42 -2.08 -0.00 0.00 0.77 0.00 0.00 66.41 64.67 1nmr h THR 64 Cb 1.26 3.02 0.00 0.00 -1.74 0.00 0.00 68.15 70.70 1nmr h THR 64 CO 0.61 0.53 -0.04 1.55 0.37 0.00 0.00 175.52 178.53 1nmr h PRO 65 N -0.92 -0.12 -0.43 6.66 0.13 -1.97 -2.91 132.00 132.44 1nmr h PRO 65 Ca -0.00 0.01 0.07 0.00 -0.87 0.00 0.00 66.00 65.21 1nmr h PRO 65 Cb 0.87 0.03 -0.09 0.00 0.13 0.00 0.00 31.00 31.94 1nmr h PRO 65 CO 0.00 -0.08 -0.45 0.78 -0.23 0.00 0.00 178.00 178.02 1nmr h GLY 66 N -0.54 -0.63 0.00 1.56 0.00 -1.95 0.47 103.07 101.97 1nmr h GLY 66 Ca -0.01 0.58 0.00 0.00 0.00 0.00 0.00 47.33 47.90 1nmr h GLY 66 CO 0.02 -0.17 0.00 1.04 0.00 0.00 0.00 176.54 177.43 1nmr n LEU 67 N -5.41 0.00 -0.37 3.11 7.99 -1.18 0.69 117.00 121.82 1nmr n LEU 67 Ca -0.01 0.96 0.35 0.00 -0.01 0.00 0.00 56.01 57.30 1nmr n LEU 67 Cb 0.35 -0.46 0.72 0.00 -0.11 0.00 0.00 43.42 43.92 1nmr n LEU 67 CO 0.03 -0.46 1.32 -0.07 -1.51 0.00 0.00 177.39 176.70 1nmr h LEU 68 N 0.00 0.08 0.00 2.23 4.07 -1.44 0.78 115.31 121.03 1nmr h LEU 68 Ca 0.00 0.02 0.00 0.00 0.08 0.00 0.00 57.88 57.98 1nmr h LEU 68 Cb 0.00 0.01 0.00 0.00 1.08 0.00 0.00 40.66 41.75 1nmr h LEU 68 CO 0.00 0.00 -0.08 -0.78 -1.08 0.00 0.00 178.44 176.50 1nmr h ASP 69 N 0.07 0.00 0.11 -0.43 3.58 0.16 -2.56 116.42 117.35 1nmr h ASP 69 Ca 0.62 0.00 0.00 0.00 0.42 0.00 0.00 57.03 58.07 1nmr h ASP 69 Cb 2.33 0.00 0.00 0.00 1.72 0.00 0.00 39.33 43.38 1nmr h ASP 69 CO -0.08 0.50 0.00 0.00 -2.88 0.00 0.00 179.24 176.79 1nmr h ALA 70 N -1.08 1.00 0.00 -0.78 0.00 0.77 -2.05 119.26 117.12 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 0.08 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.87 1nmr h ALA 70 CO 0.00 0.00 -0.29 0.87 0.00 0.00 0.00 179.25 179.83 1nmr h LYS 71 N 0.00 0.00 -0.46 0.00 1.79 0.46 -2.87 116.57 115.50 1nmr h LYS 71 Ca 0.00 0.00 0.05 0.00 -2.18 0.00 0.00 60.65 58.52 1nmr h LYS 71 Cb 0.06 0.00 -0.05 0.00 -1.58 0.00 0.00 32.23 30.66 1nmr h LYS 71 CO 0.00 0.42 0.17 -0.39 -1.08 0.00 0.00 179.45 178.57 1nmr h VAL 72 N -1.00 0.87 0.52 0.50 -1.51 -1.26 0.30 116.25 114.68 1nmr h VAL 72 Ca -0.05 -0.12 -0.02 0.00 -1.23 0.00 0.00 66.70 65.27 1nmr h VAL 72 Cb 0.57 0.49 0.00 0.00 -2.13 0.00 0.00 31.29 30.22 1nmr h VAL 72 CO -0.03 0.06 -0.26 1.56 -1.23 0.00 0.00 177.57 177.67 1nmr h GLN 73 N 0.36 -0.69 -0.60 5.19 1.08 -1.55 0.62 115.11 119.52 1nmr h GLN 73 Ca 0.21 0.05 0.09 0.00 -1.45 0.00 0.00 58.65 57.55 1nmr h GLN 73 Cb 0.19 0.16 -0.07 0.00 -0.05 0.00 0.00 27.48 27.71 1nmr h GLN 73 CO -0.20 -0.46 0.24 1.49 -0.95 0.00 0.00 178.83 178.94 1nmr h GLU 74 N -0.71 0.42 -0.11 1.46 4.22 -1.25 0.76 114.58 119.36 1nmr h GLU 74 Ca -0.07 -0.02 -0.05 0.00 0.08 0.00 0.00 59.36 59.30 1nmr h GLU 74 Cb 0.55 -0.09 -0.00 0.00 0.50 0.00 0.00 28.75 29.71 1nmr h GLU 74 CO 0.11 0.27 -0.11 0.00 -2.18 0.00 0.00 179.01 177.11 1nmr h ALA 75 N 1.40 0.16 -0.61 2.92 0.00 -0.79 -0.56 119.26 121.78 1nmr h ALA 75 Ca 0.30 -0.31 -0.07 0.00 0.00 0.00 0.00 54.91 54.84 1nmr h ALA 75 Cb 0.35 -0.03 -0.03 0.00 0.00 0.00 0.00 17.79 18.08 1nmr h ALA 75 CO -0.29 0.01 0.12 -0.07 0.00 0.00 0.00 179.25 179.02 1nmr h LEU 76 N -0.14 0.92 -0.23 0.00 3.38 0.61 -2.19 115.31 117.65 1nmr h LEU 76 Ca 0.02 -0.19 -0.10 0.00 0.09 0.00 0.00 57.88 57.69 1nmr h LEU 76 Cb 0.64 -0.24 -0.00 0.00 0.09 0.00 0.00 40.66 41.14 1nmr h LEU 76 CO 0.03 0.91 -0.25 -0.08 0.09 0.00 0.00 178.44 179.13 1nmr h GLU 77 N 0.92 0.58 0.00 1.13 4.22 0.53 -2.80 114.58 119.15 1nmr h GLU 77 Ca 0.19 -0.31 0.00 0.00 0.08 0.00 0.00 59.36 59.32 1nmr h GLU 77 Cb 0.37 0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.63 1nmr h GLU 77 CO 0.01 0.91 0.00 1.55 -2.18 0.00 0.00 179.01 179.29 1nmr n VAL 78 N -4.36 1.08 0.00 0.32 3.14 -0.22 -3.25 118.33 115.05 1nmr n VAL 78 Ca -0.05 0.32 0.00 0.00 -2.96 0.00 0.00 64.34 61.65 1nmr n VAL 78 Cb 0.44 -1.19 0.00 0.00 -1.06 0.00 0.00 33.84 32.04 1nmr n VAL 78 CO 0.00 0.00 0.00 -0.11 -6.46 0.00 0.00 176.83 170.26 1nmr n LEU 79 N -1.80 0.00 -0.41 6.55 7.94 -0.84 -2.60 117.00 125.83 1nmr n LEU 79 Ca 0.02 0.63 0.00 0.00 -1.11 0.00 0.00 56.01 55.55 1nmr n LEU 79 Cb 0.15 -0.13 0.02 0.00 0.53 0.00 0.00 43.42 43.99 1nmr n LEU 79 CO 0.13 -0.13 0.35 0.59 -1.11 0.00 0.00 177.39 177.22 1nmr n ASN 80 N -1.08 0.91 -0.20 1.96 5.03 -1.25 -4.06 115.26 116.58 1nmr n ASN 80 Ca 0.00 -2.03 0.00 0.00 0.87 0.00 0.00 54.58 53.42 1nmr n ASN 80 Cb 0.00 -0.36 0.00 0.00 -1.02 0.00 0.00 39.78 38.40 1nmr n ASN 80 CO 0.00 0.00 0.00 0.54 -1.83 0.00 0.00 177.26 175.97 1nmr n ARG 81 N -0.10 0.62 0.21 3.52 5.12 -1.07 -3.20 116.66 121.76 1nmr n ARG 81 Ca 0.01 0.00 0.15 0.00 -1.93 0.00 0.00 57.85 56.08 1nmr n ARG 81 Cb 0.21 -1.12 0.53 0.00 -1.16 0.00 0.00 32.46 30.92 1nmr n ARG 81 CO 0.00 0.00 0.00 1.25 -1.93 0.00 0.00 177.63 176.95 1nmr h HIS 82 N 0.15 0.00 -4.21 -1.55 2.76 -1.79 -3.45 115.15 107.07 1nmr h HIS 82 Ca 0.00 0.00 -0.49 0.00 -2.20 0.00 0.00 60.37 57.68 1nmr h HIS 82 Cb 0.12 0.00 0.06 0.00 1.55 0.00 0.00 27.41 29.15 1nmr h HIS 82 CO 0.00 0.00 0.38 1.41 -1.30 0.00 0.00 177.93 178.42 1nmr s MET 83 N -3.44 3.36 -0.19 5.26 -2.45 -1.19 -4.93 119.30 115.71 1nmr s MET 83 Ca 0.04 1.14 0.02 0.00 -1.25 0.00 0.00 55.69 55.64 1nmr s MET 83 Cb 0.09 -2.04 0.27 0.00 1.25 0.00 0.00 34.83 34.40 1nmr s MET 83 CO 0.52 -0.77 1.40 -1.71 1.05 0.00 0.00 175.02 175.52 1nmr n ASN 84 N -2.09 3.42 0.00 1.11 2.85 -1.26 -5.17 115.26 114.12 1nmr n ASN 84 Ca 0.08 -2.67 0.00 0.00 -0.11 0.00 0.00 54.58 51.88 1nmr n ASN 84 Cb 0.53 -0.66 0.00 0.00 1.24 0.00 0.00 39.78 40.89 1nmr n ASN 84 CO 0.00 0.00 0.00 0.52 -2.11 0.00 0.00 177.26 175.67