#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 1.64 -0.25 1.61 0.15 -1.26 -5.03 113.70 110.55 1nmr s SER 2 Ca 0.00 -0.56 0.06 0.00 0.70 0.00 0.00 55.95 56.15 1nmr s SER 2 Cb 0.00 -0.07 0.52 0.00 -1.71 0.00 0.00 66.02 64.77 1nmr s SER 2 CO 0.00 -0.04 1.54 -1.20 1.20 0.00 0.00 173.24 174.74 1nmr n SER 3 N 1.50 3.90 -4.16 5.45 7.64 -1.26 -4.94 113.62 121.76 1nmr n SER 3 Ca -0.20 -2.93 -0.23 0.00 1.01 0.00 0.00 58.87 56.51 1nmr n SER 3 Cb 0.54 -0.69 0.14 0.00 -1.01 0.00 0.00 64.21 63.19 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 -0.18 0.00 -4.67 -3.43 -0.00 -1.26 -5.00 117.00 102.45 1nmr n LEU 4 Ca 0.33 -1.75 -0.45 0.00 -0.00 0.00 0.00 56.01 54.13 1nmr n LEU 4 Cb 1.16 -0.72 -0.03 0.00 -0.00 0.00 0.00 43.42 43.83 1nmr n LEU 4 CO 0.35 -1.10 1.04 0.00 -0.00 0.00 0.00 177.39 177.68 1nmr n ALA 5 N -3.22 1.16 -1.20 1.47 0.00 -1.26 -4.99 120.51 112.48 1nmr n ALA 5 Ca -0.17 0.42 -0.13 0.00 0.00 0.00 0.00 53.44 53.56 1nmr n ALA 5 Cb 0.54 -2.29 0.15 0.00 0.00 0.00 0.00 19.45 17.86 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 2.33 -1.21 -4.80 0.00 2.88 -1.26 -5.07 113.62 106.50 1nmr n SER 6 Ca 0.12 -1.04 -0.22 0.00 -1.33 0.00 0.00 58.87 56.40 1nmr n SER 6 Cb 0.31 -0.65 0.08 0.00 -0.75 0.00 0.00 64.21 63.20 1nmr n SER 6 CO 0.00 0.00 0.00 -1.58 -1.23 0.00 0.00 175.04 172.23 1nmr s GLN 7 N -4.69 2.00 -0.11 -1.46 0.74 -1.26 -5.05 119.66 109.82 1nmr s GLN 7 Ca 0.47 -1.05 -0.11 0.00 0.05 0.00 0.00 55.36 54.72 1nmr s GLN 7 Cb -0.04 -2.40 -0.26 0.00 1.10 0.00 0.00 33.01 31.41 1nmr s GLN 7 CO 0.35 -1.17 0.44 0.78 -0.55 0.00 0.00 175.29 175.13 1nmr h GLY 8 N -0.29 0.29 -3.73 2.59 0.00 -2.07 -3.37 103.07 96.50 1nmr h GLY 8 Ca -0.38 -0.75 -0.31 0.00 0.00 0.00 0.00 47.33 45.89 1nmr h GLY 8 CO 0.44 0.65 0.28 -1.06 0.00 0.00 0.00 176.54 176.86 1nmr n GLN 9 N -3.70 1.87 -0.06 4.80 1.13 -1.26 -4.48 117.38 115.68 1nmr n GLN 9 Ca -0.29 -1.51 -0.12 0.00 -1.94 0.00 0.00 57.00 53.13 1nmr n GLN 9 Cb 0.98 -1.71 -0.06 0.00 0.11 0.00 0.00 30.24 29.57 1nmr n GLN 9 CO 0.00 0.00 0.00 -0.97 -1.44 0.00 0.00 177.06 174.65 1nmr h ASN 10 N 1.94 0.36 -0.36 1.08 -0.00 -2.00 -3.06 115.58 113.53 1nmr h ASN 10 Ca 0.27 -0.37 -0.03 0.00 -0.00 0.00 0.00 56.30 56.17 1nmr h ASN 10 Cb 0.93 -0.10 -0.02 0.00 -0.00 0.00 0.00 38.32 39.13 1nmr h ASN 10 CO 0.65 0.65 0.13 -0.07 -0.00 0.00 0.00 177.43 178.78 1nmr h LEU 11 N 0.07 0.57 -2.00 0.34 3.38 -1.93 -2.07 115.31 113.67 1nmr h LEU 11 Ca 0.05 -0.08 0.03 0.00 0.09 0.00 0.00 57.88 57.97 1nmr h LEU 11 Cb 0.49 -0.15 -0.00 0.00 0.09 0.00 0.00 40.66 41.09 1nmr h LEU 11 CO 0.02 0.56 0.08 -1.28 0.09 0.00 0.00 178.44 177.91 1nmr h SER 12 N 0.62 0.00 -0.08 -0.43 0.87 -1.87 -0.46 113.55 112.19 1nmr h SER 12 Ca 0.15 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.71 1nmr h SER 12 Cb 0.19 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.15 1nmr h SER 12 CO -0.01 0.00 0.00 1.07 -0.53 0.00 0.00 176.83 177.36 1nmr n THR 13 N -4.50 0.07 0.05 2.23 5.66 -0.82 -4.21 114.28 112.75 1nmr n THR 13 Ca -0.00 -0.53 -0.07 0.00 -3.05 0.00 0.00 64.05 60.39 1nmr n THR 13 Cb 0.20 1.43 -0.12 0.00 -1.55 0.00 0.00 70.33 70.29 1nmr n THR 13 CO 0.00 0.00 0.00 0.58 -3.05 0.00 0.00 175.07 172.60 1nmr h VAL 14 N 4.64 1.50 0.10 1.08 2.07 -0.57 -3.32 116.25 121.75 1nmr h VAL 14 Ca 0.00 -3.22 -0.28 0.00 0.82 0.00 0.00 66.70 64.02 1nmr h VAL 14 Cb 0.99 2.74 0.03 0.00 -1.52 0.00 0.00 31.29 33.53 1nmr h VAL 14 CO 0.00 0.86 -1.14 -0.07 0.02 0.00 0.00 177.57 177.23 1nmr h LEU 15 N 0.00 0.84 -8.10 2.57 -0.00 -1.71 -3.40 115.31 105.51 1nmr h LEU 15 Ca -0.07 -0.81 -0.10 0.00 -0.00 0.00 0.00 57.88 56.90 1nmr h LEU 15 Cb 1.80 -0.26 -0.01 0.00 -0.00 0.00 0.00 40.66 42.18 1nmr h LEU 15 CO 0.12 1.56 0.31 0.00 -0.00 0.00 0.00 178.44 180.44 1nmr s ALA 16 N -3.02 0.85 0.00 1.53 0.00 -1.25 -4.34 121.76 115.52 1nmr s ALA 16 Ca -0.10 -1.54 0.00 0.00 0.00 0.00 0.00 51.96 50.32 1nmr s ALA 16 Cb 0.05 -4.67 0.00 0.00 0.00 0.00 0.00 23.12 18.50 1nmr s ALA 16 CO 0.92 -6.33 0.00 0.09 0.00 0.00 0.00 175.76 170.44 1nmr n ASN 17 N 18.13 0.00 -3.80 0.00 4.13 -1.26 -5.01 115.26 127.45 1nmr n ASN 17 Ca 0.43 0.00 -0.29 0.00 1.68 0.00 0.00 54.58 56.40 1nmr n ASN 17 Cb 0.46 0.00 -0.12 0.00 -1.54 0.00 0.00 39.78 38.58 1nmr n ASN 17 CO 0.00 0.00 0.00 -0.76 0.28 0.00 0.00 177.26 176.78 1nmr s LEU 18 N -4.63 3.79 -0.18 3.41 1.02 -1.26 -4.95 118.68 115.88 1nmr s LEU 18 Ca 0.00 -3.31 -0.15 0.00 0.02 0.00 0.00 54.13 50.69 1nmr s LEU 18 Cb 0.00 -1.34 -0.10 0.00 0.02 0.00 0.00 46.19 44.77 1nmr s LEU 18 CO 0.00 -0.17 -0.02 0.41 0.02 0.00 0.00 176.35 176.59 1nmr n THR 19 N 2.66 1.47 0.24 5.49 -1.04 -1.26 -3.37 114.28 118.47 1nmr n THR 19 Ca 0.16 0.09 0.10 0.00 -2.04 0.00 0.00 64.05 62.36 1nmr n THR 19 Cb 0.36 -2.22 0.59 0.00 -1.82 0.00 0.00 70.33 67.23 1nmr n THR 19 CO 0.00 0.00 0.00 1.55 -0.64 0.00 0.00 175.07 175.98 1nmr h PRO 20 N -1.00 0.00 0.10 -2.82 0.13 -1.97 0.22 132.00 126.66 1nmr h PRO 20 Ca -0.17 0.00 -0.17 0.00 -0.87 0.00 0.00 66.00 64.78 1nmr h PRO 20 Cb 0.90 0.00 0.02 0.00 0.13 0.00 0.00 31.00 32.05 1nmr h PRO 20 CO -0.11 0.19 -0.74 1.05 -0.23 0.00 0.00 178.00 178.17 1nmr h GLU 21 N 0.00 0.33 0.13 0.86 9.09 -1.96 -2.82 114.58 120.20 1nmr h GLU 21 Ca -0.00 -0.48 -0.01 0.00 0.05 0.00 0.00 59.36 58.92 1nmr h GLU 21 Cb 0.53 0.17 0.00 0.00 -1.65 0.00 0.00 28.75 27.80 1nmr h GLU 21 CO 0.03 1.20 -0.06 1.96 0.05 0.00 0.00 179.01 182.18 1nmr h GLN 22 N -0.30 -0.17 -0.81 1.06 1.08 -1.54 -2.38 115.11 112.06 1nmr h GLN 22 Ca -0.12 0.01 0.20 0.00 -1.45 0.00 0.00 58.65 57.29 1nmr h GLN 22 Cb 1.54 0.04 -0.05 0.00 -0.05 0.00 0.00 27.48 28.96 1nmr h GLN 22 CO 0.14 0.26 0.56 0.37 -0.95 0.00 0.00 178.83 179.21 1nmr h GLN 23 N -0.92 0.23 0.01 1.46 4.15 -0.74 0.19 115.11 119.48 1nmr h GLN 23 Ca -0.02 -0.01 -0.21 0.00 0.77 0.00 0.00 58.65 59.17 1nmr h GLN 23 Cb 0.51 -0.05 -0.00 0.00 0.21 0.00 0.00 27.48 28.14 1nmr h GLN 23 CO 0.03 0.15 -0.92 0.87 -1.93 0.00 0.00 178.83 177.03 1nmr h LYS 24 N 0.23 0.31 -0.07 1.69 1.79 -1.54 -3.27 116.57 115.71 1nmr h LYS 24 Ca 0.40 -0.34 0.04 0.00 -2.18 0.00 0.00 60.65 58.57 1nmr h LYS 24 Cb 1.23 0.10 -0.05 0.00 -1.58 0.00 0.00 32.23 31.92 1nmr h LYS 24 CO -0.09 1.04 -0.25 -0.97 -1.08 0.00 0.00 179.45 178.10 1nmr h ASN 25 N 0.17 -0.75 -0.63 0.86 -0.73 -0.07 -0.74 115.58 113.69 1nmr h ASN 25 Ca -0.07 0.11 0.08 0.00 1.87 0.00 0.00 56.30 58.29 1nmr h ASN 25 Cb 1.56 0.32 -0.06 0.00 0.27 0.00 0.00 38.32 40.41 1nmr h ASN 25 CO 0.15 -0.31 0.30 1.62 -0.37 0.00 0.00 177.43 178.82 1nmr h VAL 26 N -0.35 0.87 -0.24 2.57 3.04 -1.61 -1.00 116.25 119.53 1nmr h VAL 26 Ca 0.08 -0.18 0.03 0.00 -1.01 0.00 0.00 66.70 65.62 1nmr h VAL 26 Cb 0.47 0.29 -0.03 0.00 -2.01 0.00 0.00 31.29 30.00 1nmr h VAL 26 CO -0.27 0.10 0.03 -0.07 -1.01 0.00 0.00 177.57 176.35 1nmr h LEU 27 N 0.54 -0.02 -0.40 3.16 3.38 -1.45 -1.27 115.31 119.25 1nmr h LEU 27 Ca 0.30 0.04 -0.01 0.00 0.09 0.00 0.00 57.88 58.31 1nmr h LEU 27 Cb 0.29 0.06 -0.02 0.00 0.09 0.00 0.00 40.66 41.08 1nmr h LEU 27 CO -0.24 0.02 0.23 1.23 0.09 0.00 0.00 178.44 179.77 1nmr h GLY 28 N 0.12 0.60 0.76 0.83 0.00 -0.49 0.30 103.07 105.18 1nmr h GLY 28 Ca 0.11 -0.26 -0.01 0.00 0.00 0.00 0.00 47.33 47.17 1nmr h GLY 28 CO -0.16 0.25 -0.29 0.83 0.00 0.00 0.00 176.54 177.18 1nmr h GLU 29 N 0.53 -0.63 0.00 4.80 4.39 -0.94 -0.76 114.58 121.97 1nmr h GLU 29 Ca 0.14 0.04 0.00 0.00 0.34 0.00 0.00 59.36 59.89 1nmr h GLU 29 Cb 0.03 0.14 0.00 0.00 -0.10 0.00 0.00 28.75 28.82 1nmr h GLU 29 CO -0.02 -0.42 0.00 0.54 -1.16 0.00 0.00 179.01 177.95 1nmr n ARG 30 N -5.41 0.13 0.04 2.33 5.12 -0.50 -3.31 116.66 115.05 1nmr n ARG 30 Ca -0.10 0.40 -0.03 0.00 -1.93 0.00 0.00 57.85 56.20 1nmr n ARG 30 Cb 0.31 -1.77 -0.01 0.00 -1.16 0.00 0.00 32.46 29.83 1nmr n ARG 30 CO 0.00 0.00 0.00 1.25 -1.93 0.00 0.00 177.63 176.95 1nmr h LEU 31 N 0.00 -0.16 -1.75 0.55 5.85 0.96 -3.19 115.31 117.58 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 0.29 0.04 -0.06 0.00 0.37 0.00 0.00 40.66 41.30 1nmr h LEU 31 CO 0.00 0.26 0.71 0.22 -0.34 0.00 0.00 178.44 179.28 1nmr h TYR 32 N -0.93 0.26 -0.43 1.25 5.03 -1.25 0.78 116.97 121.69 1nmr h TYR 32 Ca -0.02 0.01 -0.13 0.00 2.58 0.00 0.00 58.73 61.16 1nmr h TYR 32 Cb 0.14 -0.08 -0.01 0.00 1.55 0.00 0.00 36.73 38.33 1nmr h TYR 32 CO 0.00 0.03 -0.26 -0.97 -1.32 0.00 0.00 178.16 175.65 1nmr h ASN 33 N 0.17 0.95 -0.86 -2.11 -1.24 -1.65 1.80 115.58 112.64 1nmr h ASN 33 Ca 0.52 -0.38 -0.03 0.00 0.71 0.00 0.00 56.30 57.13 1nmr h ASN 33 Cb 1.75 -0.26 -0.04 0.00 0.73 0.00 0.00 38.32 40.50 1nmr h ASN 33 CO -0.11 1.15 0.43 1.12 -1.29 0.00 0.00 177.43 178.73 1nmr h HIS 34 N 0.78 1.22 0.00 0.67 2.07 -0.82 -3.22 115.15 115.86 1nmr h HIS 34 Ca 0.09 -0.05 -0.23 0.00 -2.85 0.00 0.00 60.37 57.33 1nmr h HIS 34 Cb 0.83 -0.38 -0.04 0.00 2.57 0.00 0.00 27.41 30.38 1nmr h HIS 34 CO 0.05 0.87 -1.99 1.51 -3.07 0.00 0.00 177.93 175.30 1nmr n ILE 35 N -4.32 1.06 -0.11 6.12 3.06 -1.12 -4.12 119.36 119.93 1nmr n ILE 35 Ca 0.09 -0.73 -0.06 0.00 -2.50 0.00 0.00 62.75 59.54 1nmr n ILE 35 Cb 0.13 -0.48 0.01 0.00 0.54 0.00 0.00 39.64 39.83 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 0.41 0.00 9.51 3.04 0.28 2.42 116.25 131.91 1nmr h VAL 36 Ca -0.31 0.00 -0.08 0.00 -1.01 0.00 0.00 66.70 65.31 1nmr h VAL 36 Cb 1.79 0.41 -0.01 0.00 -2.01 0.00 0.00 31.29 31.47 1nmr h VAL 36 CO 0.03 0.00 -0.36 0.00 -1.01 0.00 0.00 177.57 176.23 1nmr h ALA 37 N 1.10 1.10 0.00 3.17 0.00 -1.79 -2.95 119.26 119.90 1nmr h ALA 37 Ca 0.19 -0.33 0.00 0.00 0.00 0.00 0.00 54.91 54.77 1nmr h ALA 37 Cb 0.43 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.17 1nmr h ALA 37 CO -0.47 0.45 -0.12 0.82 0.00 0.00 0.00 179.25 179.92 1nmr h ILE 38 N 0.00 0.00 -2.93 0.00 1.08 -0.99 -3.44 117.51 111.23 1nmr h ILE 38 Ca -0.00 -0.37 -0.61 0.00 -0.39 0.00 0.00 64.86 63.48 1nmr h ILE 38 Cb 0.79 0.00 -0.41 0.00 -3.07 0.00 0.00 36.82 34.13 1nmr h ILE 38 CO 0.05 0.00 -0.64 -3.20 -0.69 0.00 0.00 178.15 173.67 1nmr n ASN 39 N -3.09 2.49 -0.07 1.72 4.05 0.79 -4.94 115.26 116.20 1nmr n ASN 39 Ca -0.02 -3.09 0.24 0.00 0.45 0.00 0.00 54.58 52.17 1nmr n ASN 39 Cb 0.06 -0.72 0.71 0.00 1.23 0.00 0.00 39.78 41.06 1nmr n ASN 39 CO 0.00 0.00 0.00 -0.65 -3.05 0.00 0.00 177.26 173.56 1nmr h PRO 40 N 5.37 0.00 -1.58 1.20 0.11 -1.52 -1.52 132.00 134.05 1nmr h PRO 40 Ca 0.17 0.00 -0.49 0.00 0.11 0.00 0.00 66.00 65.79 1nmr h PRO 40 Cb 0.77 0.00 -0.19 0.00 0.11 0.00 0.00 31.00 31.69 1nmr h PRO 40 CO 0.67 0.00 0.57 0.00 -0.21 0.00 0.00 178.00 179.03 1nmr n ALA 41 N -2.63 5.87 0.00 -0.75 0.00 -1.26 -4.06 120.51 117.68 1nmr n ALA 41 Ca 0.14 -2.65 0.00 0.00 0.00 0.00 0.00 53.44 50.93 1nmr n ALA 41 Cb 0.78 -1.73 0.00 0.00 0.00 0.00 0.00 19.45 18.51 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 0.14 0.08 -0.37 0.00 0.00 -0.60 -4.57 120.51 115.18 1nmr n ALA 42 Ca 0.44 0.00 0.03 0.00 0.00 0.00 0.00 53.44 53.91 1nmr n ALA 42 Cb 0.56 0.00 0.10 0.00 0.00 0.00 0.00 19.45 20.10 1nmr n ALA 42 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1nmr h ALA 43 N 0.00 0.44 -0.93 0.00 0.00 -1.62 1.68 119.26 118.83 1nmr h ALA 43 Ca 0.00 0.34 0.21 0.00 0.00 0.00 0.00 54.91 55.46 1nmr h ALA 43 Cb 0.00 0.87 -0.07 0.00 0.00 0.00 0.00 17.79 18.59 1nmr h ALA 43 CO 0.00 -0.49 0.61 0.00 0.00 0.00 0.00 179.25 179.37 1nmr h ALA 44 N 1.73 2.20 0.04 0.00 0.00 -1.89 0.89 119.26 122.24 1nmr h ALA 44 Ca 0.42 0.02 -0.22 0.00 0.00 0.00 0.00 54.91 55.13 1nmr h ALA 44 Cb 0.67 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.42 1nmr h ALA 44 CO -1.01 -0.50 -1.18 0.87 0.00 0.00 0.00 179.25 177.42 1nmr h LYS 45 N 0.42 0.09 -0.06 0.00 1.79 0.16 -3.03 116.57 115.93 1nmr h LYS 45 Ca 0.49 -0.16 0.01 0.00 -2.18 0.00 0.00 60.65 58.81 1nmr h LYS 45 Cb 1.21 0.06 -0.01 0.00 -1.58 0.00 0.00 32.23 31.91 1nmr h LYS 45 CO -0.19 1.08 0.02 0.28 -1.08 0.00 0.00 179.45 179.55 1nmr h VAL 46 N -0.71 0.99 0.09 0.50 2.07 0.15 0.42 116.25 119.75 1nmr h VAL 46 Ca -0.29 -0.02 -0.00 0.00 0.82 0.00 0.00 66.70 67.20 1nmr h VAL 46 Cb 1.45 0.93 0.00 0.00 -1.52 0.00 0.00 31.29 32.15 1nmr h VAL 46 CO -0.08 0.01 -0.04 0.74 0.02 0.00 0.00 177.57 178.22 1nmr h THR 47 N 0.06 1.05 0.24 2.57 2.02 0.61 0.47 112.91 119.92 1nmr h THR 47 Ca 0.03 -0.49 -0.01 0.00 0.77 0.00 0.00 66.41 66.70 1nmr h THR 47 Cb 0.01 1.37 0.00 0.00 -1.74 0.00 0.00 68.15 67.79 1nmr h THR 47 CO -0.03 0.12 -0.12 1.23 0.37 0.00 0.00 175.52 177.10 1nmr h GLY 48 N -0.34 -0.34 0.49 2.16 0.00 -1.49 -3.36 103.07 100.20 1nmr h GLY 48 Ca -0.01 0.12 -0.00 0.00 0.00 0.00 0.00 47.33 47.44 1nmr h GLY 48 CO 0.02 -0.12 -0.04 -0.33 0.00 0.00 0.00 176.54 176.07 1nmr h MET 49 N -0.90 -0.11 0.00 4.80 2.07 -0.29 -3.42 114.93 117.09 1nmr h MET 49 Ca -0.03 0.01 0.00 0.00 -2.07 0.00 0.00 59.70 57.60 1nmr h MET 49 Cb 0.50 0.02 0.00 0.00 -1.87 0.00 0.00 31.60 30.26 1nmr h MET 49 CO 0.05 0.36 0.00 -0.11 1.07 0.00 0.00 176.91 178.28 1nmr n LEU 50 N -4.91 0.00 -3.50 1.22 7.94 0.16 -3.73 117.00 114.18 1nmr n LEU 50 Ca -0.08 0.00 -0.38 0.00 -1.11 0.00 0.00 56.01 54.43 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 0.31 0.00 2.00 0.18 -1.11 0.00 0.00 177.39 178.77 1nmr n LEU 51 N 0.00 3.52 0.00 -1.96 4.77 -1.26 -3.81 117.00 118.26 1nmr n LEU 51 Ca 0.00 -2.57 -0.20 0.00 -0.03 0.00 0.00 56.01 53.21 1nmr n LEU 51 Cb 0.00 -0.98 0.11 0.00 -2.33 0.00 0.00 43.42 40.22 1nmr n LEU 51 CO 0.00 -0.52 0.51 -0.62 -1.33 0.00 0.00 177.39 175.43 1nmr n GLU 52 N 6.62 -0.17 0.19 3.23 -0.58 -1.24 -4.88 120.64 123.80 1nmr n GLU 52 Ca 0.46 -2.17 -0.08 0.00 -0.42 0.00 0.00 57.16 54.95 1nmr n GLU 52 Cb 0.34 -0.65 -0.04 0.00 -0.57 0.00 0.00 31.44 30.52 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 -0.53 0.00 3.49 2.86 -1.95 -3.18 114.93 115.63 1nmr h MET 53 Ca -0.29 0.04 0.00 0.00 -2.06 0.00 0.00 59.70 57.39 1nmr h MET 53 Cb 1.01 0.12 0.00 0.00 0.06 0.00 0.00 31.60 32.79 1nmr h MET 53 CO 0.29 -0.35 0.00 -0.40 1.06 0.00 0.00 176.91 177.51 1nmr n ASP 54 N -4.67 0.00 0.04 1.22 5.75 -1.26 -3.71 116.55 113.92 1nmr n ASP 54 Ca -0.07 0.18 0.22 0.00 -0.01 0.00 0.00 54.79 55.11 1nmr n ASP 54 Cb 0.22 -0.39 0.67 0.00 -1.03 0.00 0.00 41.12 40.59 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 0.47 -1.12 -1.24 -1.90 -2.20 115.58 109.59 1nmr h ASN 55 Ca 0.00 0.00 -0.02 0.00 0.71 0.00 0.00 56.30 56.99 1nmr h ASN 55 Cb 0.00 0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.05 1nmr h ASN 55 CO 0.00 0.00 -0.22 1.23 -1.29 0.00 0.00 177.43 177.15 1nmr h GLY 56 N 0.00 -0.65 -0.80 1.57 0.00 -1.65 -3.09 103.07 98.45 1nmr h GLY 56 Ca 0.25 0.24 0.14 0.00 0.00 0.00 0.00 47.33 47.96 1nmr h GLY 56 CO -0.00 -0.24 -0.26 1.18 0.00 0.00 0.00 176.54 177.21 1nmr n GLU 57 N -4.60 -0.14 -0.25 4.80 -0.58 -0.83 0.17 120.64 119.23 1nmr n GLU 57 Ca -0.08 1.24 0.01 0.00 -0.42 0.00 0.00 57.16 57.92 1nmr n GLU 57 Cb 0.25 -1.85 0.13 0.00 -0.57 0.00 0.00 31.44 29.40 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 0.87 -1.00 -3.67 5.03 -1.64 -1.95 117.51 115.15 1nmr h ILE 58 Ca 0.33 -0.21 0.38 0.00 -0.12 0.00 0.00 64.86 65.23 1nmr h ILE 58 Cb 0.53 0.19 -0.14 0.00 -3.03 0.00 0.00 36.82 34.37 1nmr h ILE 58 CO -0.81 0.11 0.60 0.00 -0.68 0.00 0.00 178.15 177.37 1nmr n LEU 59 N -4.84 0.24 -0.21 1.44 -0.00 0.46 0.70 117.00 114.79 1nmr n LEU 59 Ca 0.11 1.29 0.31 0.00 -0.00 0.00 0.00 56.01 57.71 1nmr n LEU 59 Cb 0.26 -0.63 0.64 0.00 -0.00 0.00 0.00 43.42 43.69 1nmr n LEU 59 CO 0.26 -1.43 1.28 -1.13 -0.00 0.00 0.00 177.39 176.37 1nmr h ASN 60 N 0.00 0.00 -1.98 1.45 -0.00 -1.36 0.00 115.58 113.69 1nmr h ASN 60 Ca 0.73 0.00 -0.70 0.00 -0.00 0.00 0.00 56.30 56.33 1nmr h ASN 60 Cb 2.14 0.00 -0.34 0.00 -0.00 0.00 0.00 38.32 40.12 1nmr h ASN 60 CO -0.53 0.00 0.29 0.18 -0.00 0.00 0.00 177.43 177.37 1nmr n LEU 61 N -3.65 6.22 -1.96 0.34 4.77 0.22 -5.01 117.00 117.93 1nmr n LEU 61 Ca 0.22 -5.21 -0.11 0.00 -0.03 0.00 0.00 56.01 50.88 1nmr n LEU 61 Cb 1.27 -0.84 -0.09 0.00 -2.33 0.00 0.00 43.42 41.43 1nmr n LEU 61 CO 0.31 2.06 0.92 0.18 -1.33 0.00 0.00 177.39 179.52 1nmr n LEU 62 N -0.37 -0.52 -4.65 2.23 4.77 -0.02 -4.83 117.00 113.63 1nmr n LEU 62 Ca 0.44 -0.19 -0.23 0.00 -0.03 0.00 0.00 56.01 56.01 1nmr n LEU 62 Cb 0.38 -0.26 -0.07 0.00 -2.33 0.00 0.00 43.42 41.14 1nmr n LEU 62 CO 0.43 -0.58 -0.32 -0.62 -1.33 0.00 0.00 177.39 174.98 1nmr s ASP 63 N 0.64 4.49 -0.06 -1.43 2.15 -1.26 -5.01 116.67 116.19 1nmr s ASP 63 Ca 0.58 -0.70 -0.26 0.00 0.43 0.00 0.00 52.55 52.59 1nmr s ASP 63 Cb -0.40 -0.78 -0.22 0.00 -0.30 0.00 0.00 42.92 41.21 1nmr s ASP 63 CO 0.24 -0.05 1.08 0.74 -0.17 0.00 0.00 175.17 177.01 1nmr h THR 64 N 1.86 1.54 0.00 1.71 2.02 -1.98 -3.14 112.91 114.92 1nmr h THR 64 Ca -0.44 -1.68 0.00 0.00 0.77 0.00 0.00 66.41 65.06 1nmr h THR 64 Cb 1.25 2.63 0.00 0.00 -1.74 0.00 0.00 68.15 70.29 1nmr h THR 64 CO 0.61 0.45 0.00 -0.81 0.37 0.00 0.00 175.52 176.14 1nmr n PRO 65 N -4.68 0.00 -0.18 6.66 -0.04 -1.26 -2.94 135.00 132.55 1nmr n PRO 65 Ca -0.09 0.50 -0.09 0.00 -0.04 0.00 0.00 63.50 63.77 1nmr n PRO 65 Cb 0.38 -1.07 -0.05 0.00 -0.04 0.00 0.00 33.50 32.73 1nmr n PRO 65 CO 0.00 0.00 0.00 0.78 -0.04 0.00 0.00 175.50 176.24 1nmr h GLY 66 N 0.00 -0.54 0.00 0.55 0.00 -1.96 0.70 103.07 101.82 1nmr h GLY 66 Ca 0.00 0.58 0.00 0.00 0.00 0.00 0.00 47.33 47.91 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 -5.40 0.00 -0.14 3.11 7.99 -1.18 0.43 117.00 121.80 1nmr n LEU 67 Ca 0.01 0.95 0.28 0.00 -0.01 0.00 0.00 56.01 57.24 1nmr n LEU 67 Cb 0.35 -0.45 0.71 0.00 -0.11 0.00 0.00 43.42 43.92 1nmr n LEU 67 CO -0.00 -0.45 1.26 -0.07 -1.51 0.00 0.00 177.39 176.62 1nmr h LEU 68 N 0.00 0.00 0.09 2.23 4.07 -1.41 1.25 115.31 121.55 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 -0.05 -0.78 -1.08 0.00 0.00 178.44 176.53 1nmr h ASP 69 N 0.00 -0.11 0.83 -0.43 3.58 0.95 -2.69 116.42 118.56 1nmr h ASP 69 Ca 0.41 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.86 1nmr h ASP 69 Cb 1.84 0.03 0.00 0.00 1.72 0.00 0.00 39.33 42.92 1nmr h ASP 69 CO -0.00 0.33 0.00 0.00 -2.88 0.00 0.00 179.24 176.69 1nmr h ALA 70 N -1.13 1.00 0.00 -0.78 0.00 0.61 -2.88 119.26 116.09 1nmr h ALA 70 Ca -0.01 0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.90 1nmr h ALA 70 Cb 0.10 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.89 1nmr h ALA 70 CO 0.02 0.00 -0.00 0.87 0.00 0.00 0.00 179.25 180.14 1nmr h LYS 71 N 0.00 -0.00 -0.93 0.00 1.79 0.14 -2.57 116.57 115.00 1nmr h LYS 71 Ca 0.00 0.00 0.02 0.00 -2.18 0.00 0.00 60.65 58.49 1nmr h LYS 71 Cb 0.42 0.00 -0.05 0.00 -1.58 0.00 0.00 32.23 31.02 1nmr h LYS 71 CO 0.00 0.44 0.61 -0.39 -1.08 0.00 0.00 179.45 179.03 1nmr h VAL 72 N -1.00 1.21 0.15 0.50 -1.51 -1.51 0.26 116.25 114.34 1nmr h VAL 72 Ca -0.00 -0.42 -0.01 0.00 -1.23 0.00 0.00 66.70 65.04 1nmr h VAL 72 Cb 0.44 -0.13 0.00 0.00 -2.13 0.00 0.00 31.29 29.48 1nmr h VAL 72 CO 0.00 0.22 -0.07 1.56 -1.23 0.00 0.00 177.57 178.06 1nmr h GLN 73 N 1.23 -0.19 -0.44 5.19 1.08 -1.66 0.54 115.11 120.86 1nmr h GLN 73 Ca 0.35 0.01 -0.00 0.00 -1.45 0.00 0.00 58.65 57.56 1nmr h GLN 73 Cb -0.10 0.04 -0.02 0.00 -0.05 0.00 0.00 27.48 27.35 1nmr h GLN 73 CO -0.09 0.16 0.26 1.49 -0.95 0.00 0.00 178.83 179.70 1nmr h GLU 74 N -0.57 0.61 0.08 1.46 4.57 -1.30 0.54 114.58 119.97 1nmr h GLU 74 Ca -0.02 -0.06 -0.00 0.00 -1.18 0.00 0.00 59.36 58.10 1nmr h GLU 74 Cb 0.44 -0.12 0.00 0.00 -0.16 0.00 0.00 28.75 28.90 1nmr h GLU 74 CO 0.03 0.46 -0.04 0.00 -1.18 0.00 0.00 179.01 178.28 1nmr h ALA 75 N 1.11 -0.11 0.00 2.92 0.00 -0.51 -0.51 119.26 122.17 1nmr h ALA 75 Ca 0.16 -0.06 -0.06 0.00 0.00 0.00 0.00 54.91 54.95 1nmr h ALA 75 Cb 0.01 0.04 -0.01 0.00 0.00 0.00 0.00 17.79 17.84 1nmr h ALA 75 CO -0.03 -0.52 -0.28 -0.07 0.00 0.00 0.00 179.25 178.36 1nmr h LEU 76 N -0.20 0.00 -0.01 0.00 3.38 -0.75 1.63 115.31 119.36 1nmr h LEU 76 Ca -0.01 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.95 1nmr h LEU 76 Cb 0.17 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.92 1nmr h LEU 76 CO 0.02 0.28 -0.03 -0.08 0.09 0.00 0.00 178.44 178.72 1nmr h GLU 77 N 0.00 0.04 0.00 1.13 4.57 0.45 -3.32 114.58 117.45 1nmr h GLU 77 Ca -0.00 -0.03 0.00 0.00 -1.18 0.00 0.00 59.36 58.15 1nmr h GLU 77 Cb 0.67 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.27 1nmr h GLU 77 CO 0.04 0.63 -1.22 1.55 -1.18 0.00 0.00 179.01 178.83 1nmr n VAL 78 N -4.76 0.41 -1.21 0.32 3.14 -0.23 -5.06 118.33 110.94 1nmr n VAL 78 Ca -0.09 -0.49 0.00 0.00 -2.96 0.00 0.00 64.34 60.81 1nmr n VAL 78 Cb 0.32 -0.18 0.00 0.00 -1.06 0.00 0.00 33.84 32.92 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 -2.47 0.00 -0.32 6.55 7.94 0.55 -2.51 117.00 126.75 1nmr n LEU 79 Ca -0.01 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 54.89 1nmr n LEU 79 Cb 0.54 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.49 1nmr n LEU 79 CO 0.41 -0.29 0.28 0.59 -1.11 0.00 0.00 177.39 177.27 1nmr n ASN 80 N -3.76 0.53 0.00 1.96 4.13 -1.26 -3.94 115.26 112.92 1nmr n ASN 80 Ca 0.00 -1.66 0.02 0.00 1.68 0.00 0.00 54.58 54.63 1nmr n ASN 80 Cb 0.00 -0.26 0.14 0.00 -1.54 0.00 0.00 39.78 38.12 1nmr n ASN 80 CO 0.00 0.00 0.00 0.54 0.28 0.00 0.00 177.26 178.08 1nmr n ARG 81 N -0.13 0.35 0.01 3.52 5.12 -1.04 -3.41 116.66 121.09 1nmr n ARG 81 Ca 0.00 0.00 -0.01 0.00 -1.93 0.00 0.00 57.85 55.91 1nmr n ARG 81 Cb 0.13 -1.21 -0.00 0.00 -1.16 0.00 0.00 32.46 30.22 1nmr n ARG 81 CO 0.00 0.00 0.00 0.45 -1.93 0.00 0.00 177.63 176.15 1nmr h HIS 82 N 0.00 -0.04 0.00 -1.55 3.86 -1.77 -3.45 115.15 112.20 1nmr h HIS 82 Ca 0.00 -0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.21 1nmr h HIS 82 Cb 0.00 0.01 0.00 0.00 1.06 0.00 0.00 27.41 28.48 1nmr h HIS 82 CO 0.00 -0.02 0.00 -0.12 0.86 0.00 0.00 177.93 178.65 1nmr n MET 83 N -2.37 0.00 -1.35 2.45 0.00 -1.22 0.23 117.12 114.86 1nmr n MET 83 Ca -0.01 0.00 -0.15 0.00 0.00 0.00 0.00 57.70 57.55 1nmr n MET 83 Cb 0.02 0.00 0.11 0.00 0.00 0.00 0.00 33.22 33.35 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 4.31 4.01 0.00 6.12 4.13 -1.26 -5.24 115.26 127.33 1nmr n ASN 84 Ca 0.00 -3.80 0.00 0.00 1.68 0.00 0.00 54.58 52.46 1nmr n ASN 84 Cb 0.00 -0.54 0.00 0.00 -1.54 0.00 0.00 39.78 37.70 1nmr n ASN 84 CO 0.00 0.00 0.00 0.52 0.28 0.00 0.00 177.26 178.06