#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1nmr s SER 2 N 0.00 6.25 -0.09 1.61 0.15 -1.26 -4.90 113.70 115.46 1nmr s SER 2 Ca 0.00 -0.55 0.09 0.00 0.70 0.00 0.00 55.95 56.19 1nmr s SER 2 Cb 0.00 -2.26 -0.24 0.00 -1.71 0.00 0.00 66.02 61.81 1nmr s SER 2 CO 0.00 -0.67 0.50 -1.20 1.20 0.00 0.00 173.24 173.07 1nmr n SER 3 N 5.87 1.06 -2.40 5.45 7.64 -1.26 -4.34 113.62 125.64 1nmr n SER 3 Ca -0.05 0.30 -0.20 0.00 1.01 0.00 0.00 58.87 59.93 1nmr n SER 3 Cb 0.47 -0.10 -0.13 0.00 -1.01 0.00 0.00 64.21 63.44 1nmr n SER 3 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1nmr n LEU 4 N -3.10 6.32 -1.95 -3.43 -0.00 -1.26 -4.54 117.00 109.04 1nmr n LEU 4 Ca -0.23 -3.55 -0.20 0.00 -0.00 0.00 0.00 56.01 52.03 1nmr n LEU 4 Cb 1.06 -1.46 0.09 0.00 -0.00 0.00 0.00 43.42 43.11 1nmr n LEU 4 CO 0.44 1.82 1.17 0.00 -0.00 0.00 0.00 177.39 180.81 1nmr n ALA 5 N 2.81 5.09 0.46 1.47 0.00 -1.26 -4.26 120.51 124.82 1nmr n ALA 5 Ca 0.54 -2.16 0.12 0.00 0.00 0.00 0.00 53.44 51.94 1nmr n ALA 5 Cb 0.71 -1.41 0.24 0.00 0.00 0.00 0.00 19.45 18.99 1nmr n ALA 5 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.50 178.27 1nmr h SER 6 N 1.16 0.00 -3.23 0.00 0.02 -1.97 -3.45 113.55 106.08 1nmr h SER 6 Ca 0.42 -0.06 -0.53 0.00 -0.84 0.00 0.00 61.79 60.79 1nmr h SER 6 Cb 1.60 0.00 0.01 0.00 0.14 0.00 0.00 62.40 64.15 1nmr h SER 6 CO 0.91 0.03 0.60 0.00 -1.14 0.00 0.00 176.83 177.23 1nmr s GLN 7 N -3.17 4.42 0.00 3.45 -2.07 -1.26 -5.01 119.66 116.01 1nmr s GLN 7 Ca 0.07 1.87 0.00 0.00 -1.82 0.00 0.00 55.36 55.49 1nmr s GLN 7 Cb 0.11 -3.29 0.00 0.00 -1.09 0.00 0.00 33.01 28.73 1nmr s GLN 7 CO 0.67 -0.25 0.00 0.41 -1.32 0.00 0.00 175.29 174.80 1nmr n GLY 8 N 2.98 1.22 3.92 2.60 0.00 -1.26 -4.99 105.19 109.65 1nmr n GLY 8 Ca 0.08 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.83 1nmr n GLY 8 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1nmr s GLN 9 N 0.00 2.07 0.00 1.61 -0.21 -1.26 -5.00 119.66 116.87 1nmr s GLN 9 Ca 0.00 -0.09 0.00 0.00 0.02 0.00 0.00 55.36 55.29 1nmr s GLN 9 Cb 0.00 -2.06 0.00 0.00 1.00 0.00 0.00 33.01 31.95 1nmr s GLN 9 CO 0.00 -1.42 0.35 0.09 -2.12 0.00 0.00 175.29 172.18 1nmr n ASN 10 N -3.12 0.00 0.31 5.90 4.13 -1.26 -2.99 115.26 118.22 1nmr n ASN 10 Ca 0.08 0.35 0.14 0.00 1.68 0.00 0.00 54.58 56.83 1nmr n ASN 10 Cb 0.61 0.00 0.74 0.00 -1.54 0.00 0.00 39.78 39.59 1nmr n ASN 10 CO 0.00 0.00 0.00 -0.07 0.28 0.00 0.00 177.26 177.47 1nmr h LEU 11 N 0.00 0.00 -1.08 3.41 3.38 -1.99 0.16 115.31 119.18 1nmr h LEU 11 Ca 0.00 0.00 -0.09 0.00 0.09 0.00 0.00 57.88 57.88 1nmr h LEU 11 Cb 0.00 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.74 1nmr h LEU 11 CO 0.00 0.00 -0.42 -1.28 0.09 0.00 0.00 178.44 176.83 1nmr h SER 12 N 0.00 0.00 0.00 -0.43 0.87 -1.96 -3.07 113.55 108.96 1nmr h SER 12 Ca 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.56 1nmr h SER 12 Cb 0.65 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.61 1nmr h SER 12 CO 0.00 0.42 -1.29 0.41 -0.53 0.00 0.00 176.83 175.84 1nmr n THR 13 N -3.82 0.00 0.43 2.23 -1.04 0.52 -3.82 114.28 108.79 1nmr n THR 13 Ca -0.01 -0.20 -0.17 0.00 -2.04 0.00 0.00 64.05 61.63 1nmr n THR 13 Cb 0.48 0.64 -0.08 0.00 -1.82 0.00 0.00 70.33 69.55 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 0.00 -0.26 12.58 2.07 -1.34 -3.12 116.25 126.18 1nmr h VAL 14 Ca 0.00 -0.19 0.00 0.00 0.82 0.00 0.00 66.70 67.33 1nmr h VAL 14 Cb 0.63 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 30.40 1nmr h VAL 14 CO 0.00 0.00 0.00 -0.11 0.02 0.00 0.00 177.57 177.48 1nmr n LEU 15 N -5.51 1.75 0.00 2.57 7.94 -1.23 -3.98 117.00 118.55 1nmr n LEU 15 Ca -0.14 -0.81 0.09 0.00 -1.11 0.00 0.00 56.01 54.04 1nmr n LEU 15 Cb 0.44 -0.17 0.55 0.00 0.53 0.00 0.00 43.42 44.77 1nmr n LEU 15 CO 0.33 0.41 0.78 0.00 -1.11 0.00 0.00 177.39 177.80 1nmr n ALA 16 N 0.41 2.38 1.48 1.96 0.00 -1.18 -2.66 120.51 122.91 1nmr n ALA 16 Ca 0.14 -0.12 0.14 0.00 0.00 0.00 0.00 53.44 53.60 1nmr n ALA 16 Cb 0.31 -1.30 0.61 0.00 0.00 0.00 0.00 19.45 19.06 1nmr n ALA 16 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.50 177.77 1nmr n ASN 17 N -0.88 0.68 -2.25 0.00 0.23 -1.26 -3.79 115.26 108.00 1nmr n ASN 17 Ca 0.14 -0.85 -0.21 0.00 -0.53 0.00 0.00 54.58 53.13 1nmr n ASN 17 Cb 0.06 -0.02 0.02 0.00 -2.08 0.00 0.00 39.78 37.76 1nmr n ASN 17 CO 0.00 0.00 0.00 0.18 -0.93 0.00 0.00 177.26 176.51 1nmr n LEU 18 N -0.70 4.30 -0.07 -4.53 4.32 -1.09 -4.82 117.00 114.42 1nmr n LEU 18 Ca 0.16 -4.58 -0.15 0.00 -0.02 0.00 0.00 56.01 51.43 1nmr n LEU 18 Cb 0.28 -0.23 -0.13 0.00 -1.62 0.00 0.00 43.42 41.72 1nmr n LEU 18 CO 0.22 1.97 0.33 0.74 -1.22 0.00 0.00 177.39 179.44 1nmr h THR 19 N 2.74 1.75 0.00 -5.08 2.02 -1.79 -2.88 112.91 109.67 1nmr h THR 19 Ca 0.27 -2.34 -0.06 0.00 0.77 0.00 0.00 66.41 65.05 1nmr h THR 19 Cb 1.36 3.33 -0.01 0.00 -1.74 0.00 0.00 68.15 71.09 1nmr h THR 19 CO 0.69 0.60 -0.27 1.55 0.37 0.00 0.00 175.52 178.45 1nmr h PRO 20 N -0.99 0.00 0.01 6.66 0.13 -1.90 0.13 132.00 136.04 1nmr h PRO 20 Ca -0.02 0.00 -0.12 0.00 -0.87 0.00 0.00 66.00 64.98 1nmr h PRO 20 Cb 1.03 0.00 0.01 0.00 0.13 0.00 0.00 31.00 32.17 1nmr h PRO 20 CO -0.01 0.27 -0.49 1.49 -0.23 0.00 0.00 178.00 179.04 1nmr h GLU 21 N 0.00 0.32 0.01 0.86 4.22 -1.91 -2.69 114.58 115.40 1nmr h GLU 21 Ca -0.00 -0.35 -0.00 0.00 0.08 0.00 0.00 59.36 59.08 1nmr h GLU 21 Cb 0.65 0.10 0.00 0.00 0.50 0.00 0.00 28.75 30.00 1nmr h GLU 21 CO 0.04 1.05 -0.01 1.96 -2.18 0.00 0.00 179.01 179.87 1nmr h GLN 22 N -0.26 -0.02 -0.29 1.92 1.08 -1.44 -2.72 115.11 113.38 1nmr h GLN 22 Ca -0.06 0.00 0.06 0.00 -1.45 0.00 0.00 58.65 57.20 1nmr h GLN 22 Cb 1.22 0.00 -0.06 0.00 -0.05 0.00 0.00 27.48 28.60 1nmr h GLN 22 CO 0.10 0.71 -0.08 0.37 -0.95 0.00 0.00 178.83 178.97 1nmr h GLN 23 N -0.77 -0.01 0.00 1.46 4.15 -0.89 0.32 115.11 119.37 1nmr h GLN 23 Ca -0.00 0.00 -0.02 0.00 0.77 0.00 0.00 58.65 59.39 1nmr h GLN 23 Cb 0.73 0.00 -0.00 0.00 0.21 0.00 0.00 27.48 28.42 1nmr h GLN 23 CO 0.00 -0.01 -0.12 0.87 -1.93 0.00 0.00 178.83 177.65 1nmr h LYS 24 N -0.01 0.00 0.27 1.69 1.57 -1.59 -2.46 116.57 116.04 1nmr h LYS 24 Ca 0.14 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.91 1nmr h LYS 24 Cb 0.23 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.54 1nmr h LYS 24 CO -0.31 0.12 -0.13 -0.91 -0.57 0.00 0.00 179.45 177.65 1nmr h ASN 25 N 0.00 -0.31 -0.63 0.86 4.21 -0.65 -3.07 115.58 115.99 1nmr h ASN 25 Ca -0.00 -0.22 0.08 0.00 1.21 0.00 0.00 56.30 57.37 1nmr h ASN 25 Cb 0.26 0.08 -0.06 0.00 -1.12 0.00 0.00 38.32 37.48 1nmr h ASN 25 CO 0.02 0.16 0.29 1.62 -1.29 0.00 0.00 177.43 178.22 1nmr h VAL 26 N -0.89 0.85 -0.57 2.81 3.04 -1.10 -2.10 116.25 118.29 1nmr h VAL 26 Ca -0.04 -0.18 0.12 0.00 -1.01 0.00 0.00 66.70 65.59 1nmr h VAL 26 Cb 0.51 0.29 -0.10 0.00 -2.01 0.00 0.00 31.29 29.98 1nmr h VAL 26 CO 0.06 0.09 -0.02 -0.07 -1.01 0.00 0.00 177.57 176.62 1nmr h LEU 27 N 0.52 -0.30 -0.75 3.16 3.38 -1.51 0.16 115.31 119.98 1nmr h LEU 27 Ca 0.30 0.15 0.00 0.00 0.09 0.00 0.00 57.88 58.42 1nmr h LEU 27 Cb 0.30 0.27 -0.04 0.00 0.09 0.00 0.00 40.66 41.28 1nmr h LEU 27 CO -0.25 -0.12 0.48 1.23 0.09 0.00 0.00 178.44 179.88 1nmr h GLY 28 N 0.09 1.06 0.75 0.83 0.00 -1.28 1.09 103.07 105.60 1nmr h GLY 28 Ca 0.29 -0.41 -0.01 0.00 0.00 0.00 0.00 47.33 47.21 1nmr h GLY 28 CO -0.51 0.40 -0.08 0.83 0.00 0.00 0.00 176.54 177.18 1nmr h GLU 29 N 1.01 -0.22 0.00 4.80 4.39 -0.97 -2.64 114.58 120.95 1nmr h GLU 29 Ca 0.27 0.02 0.00 0.00 0.34 0.00 0.00 59.36 59.99 1nmr h GLU 29 Cb -0.10 0.05 0.00 0.00 -0.10 0.00 0.00 28.75 28.60 1nmr h GLU 29 CO -0.06 0.05 0.00 0.00 -1.16 0.00 0.00 179.01 177.84 1nmr h ARG 30 N -0.49 0.00 0.50 2.33 2.47 -0.54 -3.22 114.38 115.43 1nmr h ARG 30 Ca -0.02 0.00 -0.02 0.00 -1.26 0.00 0.00 59.98 58.67 1nmr h ARG 30 Cb 0.38 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.70 1nmr h ARG 30 CO 0.04 0.00 -0.24 1.25 0.56 0.00 0.00 179.97 181.58 1nmr h LEU 31 N 0.00 -0.57 -1.86 3.04 5.85 0.16 -3.01 115.31 118.92 1nmr h LEU 31 Ca 0.00 0.02 0.32 0.00 0.84 0.00 0.00 57.88 59.06 1nmr h LEU 31 Cb 0.40 0.15 -0.06 0.00 0.37 0.00 0.00 40.66 41.52 1nmr h LEU 31 CO 0.00 -0.20 0.80 0.22 -0.34 0.00 0.00 178.44 178.91 1nmr h TYR 32 N -1.08 0.15 -0.25 1.25 5.03 -1.50 0.27 116.97 120.84 1nmr h TYR 32 Ca -0.07 0.01 -0.16 0.00 2.58 0.00 0.00 58.73 61.08 1nmr h TYR 32 Cb 0.52 -0.04 -0.00 0.00 1.55 0.00 0.00 36.73 38.75 1nmr h TYR 32 CO 0.01 0.01 -0.50 -0.97 -1.32 0.00 0.00 178.16 175.39 1nmr h ASN 33 N 0.08 0.77 -0.71 -2.11 -1.24 -1.59 1.18 115.58 111.96 1nmr h ASN 33 Ca 0.56 -0.39 -0.01 0.00 0.71 0.00 0.00 56.30 57.17 1nmr h ASN 33 Cb 2.07 -0.22 -0.03 0.00 0.73 0.00 0.00 38.32 40.87 1nmr h ASN 33 CO -0.07 1.14 0.39 1.12 -1.29 0.00 0.00 177.43 178.71 1nmr h HIS 34 N 0.55 0.98 0.00 0.67 2.07 -0.32 -3.09 115.15 116.02 1nmr h HIS 34 Ca 0.02 -0.03 0.00 0.00 -2.85 0.00 0.00 60.37 57.52 1nmr h HIS 34 Cb 1.07 -0.31 0.00 0.00 2.57 0.00 0.00 27.41 30.73 1nmr h HIS 34 CO 0.05 0.70 -1.19 1.51 -3.07 0.00 0.00 177.93 175.93 1nmr n ILE 35 N -4.48 0.07 0.02 6.12 3.06 -1.10 -4.04 119.36 119.01 1nmr n ILE 35 Ca 0.06 -0.19 -0.12 0.00 -2.50 0.00 0.00 62.75 60.00 1nmr n ILE 35 Cb 0.09 0.46 -0.06 0.00 0.54 0.00 0.00 39.64 40.67 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 1.01 0.00 9.51 3.04 0.15 1.27 116.25 131.23 1nmr h VAL 36 Ca 0.00 -0.02 -0.07 0.00 -1.01 0.00 0.00 66.70 65.60 1nmr h VAL 36 Cb 0.69 0.95 -0.01 0.00 -2.01 0.00 0.00 31.29 30.91 1nmr h VAL 36 CO 0.00 0.01 -0.33 0.00 -1.01 0.00 0.00 177.57 176.24 1nmr h ALA 37 N 1.01 0.86 0.00 3.17 0.00 -1.78 -3.06 119.26 119.47 1nmr h ALA 37 Ca 0.01 -0.30 0.00 0.00 0.00 0.00 0.00 54.91 54.62 1nmr h ALA 37 Cb -0.01 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.73 1nmr h ALA 37 CO -0.00 0.41 -0.15 0.82 0.00 0.00 0.00 179.25 180.33 1nmr h ILE 38 N 0.00 0.00 -2.91 0.00 5.03 -1.59 -3.44 117.51 114.60 1nmr h ILE 38 Ca -0.00 -0.39 -0.61 0.00 -0.12 0.00 0.00 64.86 63.74 1nmr h ILE 38 Cb 1.06 0.00 -0.41 0.00 -3.03 0.00 0.00 36.82 34.44 1nmr h ILE 38 CO 0.04 0.00 -0.64 -3.20 -0.68 0.00 0.00 178.15 173.67 1nmr n ASN 39 N -3.15 2.51 -0.26 1.72 5.15 0.43 -4.94 115.26 116.71 1nmr n ASN 39 Ca -0.02 -3.09 0.19 0.00 -0.60 0.00 0.00 54.58 51.06 1nmr n ASN 39 Cb 0.08 -0.72 0.50 0.00 -0.53 0.00 0.00 39.78 39.11 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 5.33 0.41 -1.90 1.20 0.11 -1.41 -1.56 132.00 134.17 1nmr h PRO 40 Ca 0.17 -0.02 -0.41 0.00 0.11 0.00 0.00 66.00 65.84 1nmr h PRO 40 Cb 0.77 -0.09 -0.15 0.00 0.11 0.00 0.00 31.00 31.64 1nmr h PRO 40 CO 0.67 0.27 0.28 0.00 -0.21 0.00 0.00 178.00 179.01 1nmr n ALA 41 N -2.50 6.14 0.00 -0.75 0.00 -1.26 -3.80 120.51 118.34 1nmr n ALA 41 Ca 0.20 -2.55 0.00 0.00 0.00 0.00 0.00 53.44 51.09 1nmr n ALA 41 Cb 0.72 -2.00 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 1.00 0.03 -0.32 0.00 0.00 -0.62 -4.81 120.51 115.80 1nmr n ALA 42 Ca 0.43 0.00 -0.01 0.00 0.00 0.00 0.00 53.44 53.87 1nmr n ALA 42 Cb 0.61 0.00 0.03 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 -1.71 -0.11 -0.35 0.00 0.00 -1.04 0.18 120.51 117.48 1nmr n ALA 43 Ca 0.00 0.83 0.17 0.00 0.00 0.00 0.00 53.44 54.44 1nmr n ALA 43 Cb 0.00 -0.37 0.38 0.00 0.00 0.00 0.00 19.45 19.46 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 1.14 1.79 0.11 0.00 0.00 -1.89 1.03 119.26 121.43 1nmr h ALA 44 Ca 0.29 0.11 -0.19 0.00 0.00 0.00 0.00 54.91 55.12 1nmr h ALA 44 Cb 0.50 -0.00 0.01 0.00 0.00 0.00 0.00 17.79 18.29 1nmr h ALA 44 CO -0.83 -0.24 -0.89 0.87 0.00 0.00 0.00 179.25 178.16 1nmr h LYS 45 N 0.61 0.23 0.50 0.00 1.79 0.15 -3.12 116.57 116.73 1nmr h LYS 45 Ca 0.63 -0.39 -0.02 0.00 -2.18 0.00 0.00 60.65 58.69 1nmr h LYS 45 Cb 1.18 0.14 0.00 0.00 -1.58 0.00 0.00 32.23 31.98 1nmr h LYS 45 CO -0.45 1.19 -0.24 0.28 -1.08 0.00 0.00 179.45 179.14 1nmr h VAL 46 N -0.47 0.50 -0.01 0.50 2.07 0.12 0.72 116.25 119.67 1nmr h VAL 46 Ca -0.18 -0.13 0.03 0.00 0.82 0.00 0.00 66.70 67.25 1nmr h VAL 46 Cb 1.57 0.56 -0.04 0.00 -1.52 0.00 0.00 31.29 31.86 1nmr h VAL 46 CO 0.09 0.02 -0.20 0.74 0.02 0.00 0.00 177.57 178.24 1nmr h THR 47 N -0.75 0.53 0.23 2.57 2.02 0.88 1.72 112.91 120.12 1nmr h THR 47 Ca -0.07 0.00 -0.01 0.00 0.77 0.00 0.00 66.41 67.10 1nmr h THR 47 Cb 0.55 0.53 0.00 0.00 -1.74 0.00 0.00 68.15 67.49 1nmr h THR 47 CO 0.11 0.00 -0.11 1.23 0.37 0.00 0.00 175.52 177.12 1nmr h GLY 48 N -0.31 -0.33 0.56 2.16 0.00 -1.54 -3.35 103.07 100.25 1nmr h GLY 48 Ca 0.06 0.12 -0.00 0.00 0.00 0.00 0.00 47.33 47.51 1nmr h GLY 48 CO -0.19 -0.12 -0.00 -0.33 0.00 0.00 0.00 176.54 175.89 1nmr h MET 49 N -0.86 -0.01 0.00 4.80 2.07 0.43 -3.41 114.93 117.95 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 0.00 0.00 0.00 -1.87 0.00 0.00 31.60 30.24 1nmr h MET 49 CO 0.05 0.43 0.00 -0.11 1.07 0.00 0.00 176.91 178.35 1nmr n LEU 50 N -4.88 0.00 -3.54 1.22 7.94 0.59 -3.19 117.00 115.13 1nmr n LEU 50 Ca -0.08 0.00 -0.39 0.00 -1.11 0.00 0.00 56.01 54.42 1nmr n LEU 50 Cb 0.23 0.00 -0.05 0.00 0.53 0.00 0.00 43.42 44.13 1nmr n LEU 50 CO 0.33 0.00 2.13 0.18 -1.11 0.00 0.00 177.39 178.92 1nmr n LEU 51 N 0.00 4.12 -5.01 -1.96 4.32 -1.26 -3.36 117.00 113.84 1nmr n LEU 51 Ca 0.00 -2.84 -0.22 0.00 -0.02 0.00 0.00 56.01 52.92 1nmr n LEU 51 Cb 0.00 -1.09 0.10 0.00 -1.62 0.00 0.00 43.42 40.81 1nmr n LEU 51 CO 0.00 -0.25 0.50 -1.61 -1.22 0.00 0.00 177.39 174.81 1nmr s GLU 52 N 4.78 1.80 0.03 3.23 0.41 -1.19 -4.84 118.70 122.92 1nmr s GLU 52 Ca 0.54 -1.35 -0.28 0.00 -0.41 0.00 0.00 54.97 53.46 1nmr s GLU 52 Cb 0.14 -2.43 -0.16 0.00 -1.78 0.00 0.00 34.13 29.90 1nmr s GLU 52 CO 0.10 -1.32 1.26 0.52 -0.49 0.00 0.00 175.26 175.32 1nmr h MET 53 N -0.34 -0.99 0.00 1.61 2.86 -1.95 -2.74 114.93 113.38 1nmr h MET 53 Ca -0.33 0.07 0.00 0.00 -2.06 0.00 0.00 59.70 57.38 1nmr h MET 53 Cb 1.27 0.22 0.00 0.00 0.06 0.00 0.00 31.60 33.16 1nmr h MET 53 CO 0.39 -0.66 0.00 -0.40 1.06 0.00 0.00 176.91 177.30 1nmr n ASP 54 N -5.18 0.00 -0.23 1.22 5.75 -1.26 -3.71 116.55 113.14 1nmr n ASP 54 Ca -0.13 0.22 0.32 0.00 -0.01 0.00 0.00 54.79 55.19 1nmr n ASP 54 Cb 0.40 -0.33 0.72 0.00 -1.03 0.00 0.00 41.12 40.89 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 0.55 -1.12 -1.24 -1.89 -2.02 115.58 109.86 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 -0.26 1.23 -1.29 0.00 0.00 177.43 177.11 1nmr h GLY 56 N 0.00 -0.77 -0.75 1.57 0.00 -1.49 -2.90 103.07 98.73 1nmr h GLY 56 Ca 0.48 0.28 0.18 0.00 0.00 0.00 0.00 47.33 48.28 1nmr h GLY 56 CO -0.01 -0.28 -0.07 1.18 0.00 0.00 0.00 176.54 177.37 1nmr n GLU 57 N -4.15 -0.06 -0.17 4.80 -0.58 -0.76 0.18 120.64 119.90 1nmr n GLU 57 Ca -0.09 1.15 -0.05 0.00 -0.42 0.00 0.00 57.16 57.74 1nmr n GLU 57 Cb 0.29 -1.78 0.04 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 1.04 -1.64 -3.67 2.04 -1.59 -2.35 117.51 111.34 1nmr h ILE 58 Ca 0.42 -0.20 0.52 0.00 1.00 0.00 0.00 64.86 66.59 1nmr h ILE 58 Cb 0.79 0.39 -0.11 0.00 -0.74 0.00 0.00 36.82 37.14 1nmr h ILE 58 CO -0.74 0.11 1.12 0.17 0.00 0.00 0.00 178.15 178.81 1nmr h LEU 59 N 0.59 0.12 -1.93 1.44 8.10 0.21 0.89 115.31 124.73 1nmr h LEU 59 Ca 0.21 0.09 0.02 0.00 0.11 0.00 0.00 57.88 58.31 1nmr h LEU 59 Cb 0.04 0.09 -0.00 0.00 -0.44 0.00 0.00 40.66 40.35 1nmr h LEU 59 CO -0.10 -0.15 0.37 -1.13 -4.11 0.00 0.00 178.44 173.32 1nmr h ASN 60 N 0.00 0.00 -1.43 0.17 -0.73 -1.43 -1.54 115.58 110.63 1nmr h ASN 60 Ca 0.91 0.00 -0.52 0.00 1.87 0.00 0.00 56.30 58.55 1nmr h ASN 60 Cb 3.24 0.00 -0.41 0.00 0.27 0.00 0.00 38.32 41.41 1nmr h ASN 60 CO -0.27 0.00 -0.87 0.18 -0.37 0.00 0.00 177.43 176.10 1nmr n LEU 61 N -2.99 3.68 -2.01 0.34 4.77 0.31 -5.05 117.00 116.06 1nmr n LEU 61 Ca -0.01 -4.81 -0.09 0.00 -0.03 0.00 0.00 56.01 51.07 1nmr n LEU 61 Cb 0.44 -0.19 -0.09 0.00 -2.33 0.00 0.00 43.42 41.25 1nmr n LEU 61 CO 0.15 2.06 0.88 0.18 -1.33 0.00 0.00 177.39 179.32 1nmr n LEU 62 N -0.33 -0.71 -4.93 2.23 4.77 -0.58 -4.82 117.00 112.63 1nmr n LEU 62 Ca 0.30 -0.30 -0.22 0.00 -0.03 0.00 0.00 56.01 55.76 1nmr n LEU 62 Cb 0.69 -0.25 0.00 0.00 -2.33 0.00 0.00 43.42 41.54 1nmr n LEU 62 CO 0.31 -0.66 0.11 -0.62 -1.33 0.00 0.00 177.39 175.19 1nmr s ASP 63 N 0.00 5.01 -0.06 -1.43 2.15 -1.26 -4.97 116.67 116.11 1nmr s ASP 63 Ca 0.52 -0.87 -0.17 0.00 0.43 0.00 0.00 52.55 52.46 1nmr s ASP 63 Cb -0.33 -0.12 -0.12 0.00 -0.30 0.00 0.00 42.92 42.05 1nmr s ASP 63 CO 0.22 -0.94 0.67 0.74 -0.17 0.00 0.00 175.17 175.70 1nmr h THR 64 N 0.72 0.58 0.16 1.71 2.02 -1.98 -3.15 112.91 112.98 1nmr h THR 64 Ca -0.37 -1.07 -0.01 0.00 0.77 0.00 0.00 66.41 65.73 1nmr h THR 64 Cb 1.28 1.01 0.00 0.00 -1.74 0.00 0.00 68.15 68.70 1nmr h THR 64 CO 0.52 0.16 -0.08 1.55 0.37 0.00 0.00 175.52 178.05 1nmr h PRO 65 N -0.96 -0.21 -0.46 6.66 0.13 -1.97 -2.90 132.00 132.29 1nmr h PRO 65 Ca -0.03 0.01 0.05 0.00 -0.87 0.00 0.00 66.00 65.17 1nmr h PRO 65 Cb 0.45 0.05 -0.08 0.00 0.13 0.00 0.00 31.00 31.56 1nmr h PRO 65 CO 0.04 -0.14 -0.48 0.78 -0.23 0.00 0.00 178.00 177.97 1nmr h GLY 66 N -0.96 -1.15 0.00 1.56 0.00 -1.95 0.46 103.07 101.03 1nmr h GLY 66 Ca -0.02 0.77 0.00 0.00 0.00 0.00 0.00 47.33 48.07 1nmr h GLY 66 CO 0.04 -0.19 0.00 -0.10 0.00 0.00 0.00 176.54 176.28 1nmr n LEU 67 N -4.94 0.00 -0.33 3.11 -0.00 -1.19 -0.45 117.00 113.20 1nmr n LEU 67 Ca -0.02 0.95 0.15 0.00 -0.00 0.00 0.00 56.01 57.08 1nmr n LEU 67 Cb 0.27 -0.45 0.30 0.00 -0.00 0.00 0.00 43.42 43.55 1nmr n LEU 67 CO -0.03 -0.45 0.85 -0.07 -0.00 0.00 0.00 177.39 177.70 1nmr h LEU 68 N 0.00 -0.33 0.36 -1.96 4.07 -1.42 0.68 115.31 116.71 1nmr h LEU 68 Ca 0.00 0.26 -0.02 0.00 0.08 0.00 0.00 57.88 58.20 1nmr h LEU 68 Cb 0.00 0.42 0.00 0.00 1.08 0.00 0.00 40.66 42.16 1nmr h LEU 68 CO 0.00 -0.31 -0.17 0.44 -1.08 0.00 0.00 178.44 177.32 1nmr h ASP 69 N 0.05 -0.41 0.23 -0.43 5.19 -0.01 -2.86 116.42 118.18 1nmr h ASP 69 Ca 0.59 -0.15 0.00 0.00 -0.62 0.00 0.00 57.03 56.86 1nmr h ASP 69 Cb 1.24 0.11 0.00 0.00 0.18 0.00 0.00 39.33 40.86 1nmr h ASP 69 CO -0.84 -0.03 0.00 0.00 -3.12 0.00 0.00 179.24 175.24 1nmr n ALA 70 N -2.52 1.31 0.02 3.45 0.00 0.40 -1.87 120.51 121.30 1nmr n ALA 70 Ca -0.10 -0.02 -0.11 0.00 0.00 0.00 0.00 53.44 53.22 1nmr n ALA 70 Cb 0.28 -1.12 -0.08 0.00 0.00 0.00 0.00 19.45 18.53 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 -0.14 -0.01 0.00 1.79 0.52 -2.76 116.57 115.97 1nmr h LYS 71 Ca 0.00 0.01 -0.11 0.00 -2.18 0.00 0.00 60.65 58.37 1nmr h LYS 71 Cb 0.12 0.03 0.01 0.00 -1.58 0.00 0.00 32.23 30.81 1nmr h LYS 71 CO 0.00 0.35 -0.42 -0.39 -1.08 0.00 0.00 179.45 177.92 1nmr h VAL 72 N -0.85 1.47 -0.58 0.50 -1.51 -1.47 -1.61 116.25 112.20 1nmr h VAL 72 Ca -0.02 -1.96 0.10 0.00 -1.23 0.00 0.00 66.70 63.59 1nmr h VAL 72 Cb 0.56 2.61 -0.07 0.00 -2.13 0.00 0.00 31.29 32.25 1nmr h VAL 72 CO 0.02 0.56 0.17 1.56 -1.23 0.00 0.00 177.57 178.65 1nmr h GLN 73 N -0.26 0.32 -0.02 5.19 1.08 -1.53 0.95 115.11 120.83 1nmr h GLN 73 Ca -0.05 -0.02 -0.26 0.00 -1.45 0.00 0.00 58.65 56.88 1nmr h GLN 73 Cb 1.13 -0.07 0.02 0.00 -0.05 0.00 0.00 27.48 28.51 1nmr h GLN 73 CO 0.08 0.21 -0.99 1.49 -0.95 0.00 0.00 178.83 178.67 1nmr h GLU 74 N 0.33 0.69 0.10 1.46 4.22 -1.57 -1.67 114.58 118.14 1nmr h GLU 74 Ca 0.30 -0.71 -0.01 0.00 0.08 0.00 0.00 59.36 59.02 1nmr h GLU 74 Cb 0.39 0.19 0.00 0.00 0.50 0.00 0.00 28.75 29.84 1nmr h GLU 74 CO -0.34 1.30 -0.05 0.00 -2.18 0.00 0.00 179.01 177.74 1nmr h ALA 75 N 0.46 -0.14 -0.17 2.92 0.00 -0.78 -1.78 119.26 119.77 1nmr h ALA 75 Ca -0.11 -0.21 -0.06 0.00 0.00 0.00 0.00 54.91 54.53 1nmr h ALA 75 Cb 1.64 0.05 -0.01 0.00 0.00 0.00 0.00 17.79 19.47 1nmr h ALA 75 CO 0.19 -0.36 -0.15 -0.07 0.00 0.00 0.00 179.25 178.86 1nmr h LEU 76 N -0.58 0.27 -0.66 0.00 3.38 0.81 0.14 115.31 118.67 1nmr h LEU 76 Ca -0.01 -0.06 -0.10 0.00 0.09 0.00 0.00 57.88 57.79 1nmr h LEU 76 Cb 0.47 -0.07 -0.02 0.00 0.09 0.00 0.00 40.66 41.13 1nmr h LEU 76 CO 0.02 0.45 -0.09 -0.08 0.09 0.00 0.00 178.44 178.83 1nmr h GLU 77 N 0.26 0.96 -0.01 1.13 4.81 -1.25 -2.59 114.58 117.90 1nmr h GLU 77 Ca 0.05 -0.33 0.00 0.00 -0.13 0.00 0.00 59.36 58.95 1nmr h GLU 77 Cb 0.43 -0.07 0.00 0.00 0.63 0.00 0.00 28.75 29.74 1nmr h GLU 77 CO 0.03 1.00 -0.22 1.55 -0.73 0.00 0.00 179.01 180.64 1nmr n VAL 78 N -4.16 0.00 0.00 0.32 3.14 -0.68 -4.18 118.33 112.77 1nmr n VAL 78 Ca 0.02 -0.13 0.00 0.00 -2.96 0.00 0.00 64.34 61.26 1nmr n VAL 78 Cb 0.38 0.37 0.00 0.00 -1.06 0.00 0.00 33.84 33.53 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 -0.59 0.00 0.00 6.55 -0.00 0.45 -4.59 117.00 118.82 1nmr n LEU 79 Ca 0.13 0.00 0.15 0.00 -0.00 0.00 0.00 56.01 56.29 1nmr n LEU 79 Cb 0.34 0.00 0.89 0.00 -0.00 0.00 0.00 43.42 44.65 1nmr n LEU 79 CO 0.25 0.00 1.06 0.59 -0.00 0.00 0.00 177.39 179.29 1nmr n ASN 80 N 0.00 0.00 -0.49 1.96 3.02 -1.26 -3.87 115.26 114.62 1nmr n ASN 80 Ca 0.00 -0.87 0.00 0.00 -0.03 0.00 0.00 54.58 53.68 1nmr n ASN 80 Cb 0.00 -0.03 0.00 0.00 -0.61 0.00 0.00 39.78 39.14 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 -1.03 0.44 0.00 3.52 5.12 -1.26 -3.36 116.66 120.09 1nmr n ARG 81 Ca 0.22 0.00 0.09 0.00 -1.93 0.00 0.00 57.85 56.23 1nmr n ARG 81 Cb 0.12 -1.22 0.44 0.00 -1.16 0.00 0.00 32.46 30.63 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 0.26 0.00 0.00 -1.55 8.25 -1.25 -4.16 115.22 116.78 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 0.11 -0.42 0.00 0.00 1.12 0.00 0.00 29.99 30.79 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 -1.42 0.00 0.00 -0.41 2.81 -1.21 -5.01 117.12 111.87 1nmr n MET 83 Ca 0.06 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 55.95 1nmr n MET 83 Cb 0.20 -0.31 0.00 0.00 -0.71 0.00 0.00 33.22 32.39 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 -0.45 0.00 0.00 7.83 3.02 -1.26 -5.26 115.26 119.14 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 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.17 1nmr n ASN 84 CO 0.00 0.00 0.00 0.52 -2.62 0.00 0.00 177.26 175.16