#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 -0.51 -0.24 1.61 0.01 -1.26 -5.15 113.70 108.16 1nmr s SER 2 Ca 0.00 0.17 -0.09 0.00 1.31 0.00 0.00 55.95 57.34 1nmr s SER 2 Cb 0.00 0.54 -0.04 0.00 0.21 0.00 0.00 66.02 66.73 1nmr s SER 2 CO 0.00 -0.80 0.11 -0.55 0.41 0.00 0.00 173.24 172.41 1nmr s SER 3 N -2.18 5.57 -0.09 2.44 0.15 -1.26 -4.97 113.70 113.37 1nmr s SER 3 Ca -0.03 -0.06 0.02 0.00 0.70 0.00 0.00 55.95 56.57 1nmr s SER 3 Cb -0.00 -2.00 0.17 0.00 -1.71 0.00 0.00 66.02 62.48 1nmr s SER 3 CO -0.04 0.02 1.04 0.18 1.20 0.00 0.00 173.24 175.63 1nmr n LEU 4 N 4.60 3.13 -4.54 3.45 4.77 -1.26 -4.88 117.00 122.27 1nmr n LEU 4 Ca -0.16 -1.60 -0.29 0.00 -0.03 0.00 0.00 56.01 53.93 1nmr n LEU 4 Cb 0.52 -0.57 -0.07 0.00 -2.33 0.00 0.00 43.42 40.98 1nmr n LEU 4 CO 0.33 0.51 1.82 0.00 -1.33 0.00 0.00 177.39 178.71 1nmr n ALA 5 N 0.13 0.62 -0.02 -1.18 0.00 -1.26 -4.67 120.51 114.12 1nmr n ALA 5 Ca 0.11 -1.00 -0.04 0.00 0.00 0.00 0.00 53.44 52.51 1nmr n ALA 5 Cb 0.65 -3.09 -0.01 0.00 0.00 0.00 0.00 19.45 16.99 1nmr n ALA 5 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 1nmr n SER 6 N 15.64 1.26 -4.57 0.00 7.64 -1.26 -4.91 113.62 127.42 1nmr n SER 6 Ca 0.45 0.20 -0.41 0.00 1.01 0.00 0.00 58.87 60.12 1nmr n SER 6 Cb 0.44 -0.51 -0.03 0.00 -1.01 0.00 0.00 64.21 63.10 1nmr n SER 6 CO 0.00 0.00 0.00 -1.58 -3.01 0.00 0.00 175.04 170.45 1nmr s GLN 7 N -2.20 3.09 0.00 1.43 2.00 -1.26 -4.93 119.66 117.78 1nmr s GLN 7 Ca -0.13 0.47 0.00 0.00 -2.00 0.00 0.00 55.36 53.70 1nmr s GLN 7 Cb 0.02 -4.22 0.00 0.00 0.80 0.00 0.00 33.01 29.61 1nmr s GLN 7 CO 0.19 -2.20 0.00 0.41 -0.50 0.00 0.00 175.29 173.20 1nmr n GLY 8 N 5.42 0.51 3.10 2.59 0.00 -1.26 -4.88 105.19 110.67 1nmr n GLY 8 Ca 0.14 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.75 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 2.72 0.00 1.61 10.64 -1.26 -4.80 117.38 126.29 1nmr n GLN 9 Ca 0.00 -2.72 0.00 0.00 -1.83 0.00 0.00 57.00 52.45 1nmr n GLN 9 Cb 0.00 -3.34 0.00 0.00 -0.86 0.00 0.00 30.24 26.04 1nmr n GLN 9 CO 0.00 0.00 0.00 -1.71 -1.83 0.00 0.00 177.06 173.52 1nmr n ASN 10 N 7.55 0.00 -0.22 2.61 2.85 -1.26 -2.70 115.26 124.09 1nmr n ASN 10 Ca 0.50 0.16 0.27 0.00 -0.11 0.00 0.00 54.58 55.41 1nmr n ASN 10 Cb 0.42 0.00 0.67 0.00 1.24 0.00 0.00 39.78 42.11 1nmr n ASN 10 CO 0.00 0.00 0.00 0.17 -2.11 0.00 0.00 177.26 175.32 1nmr h LEU 11 N 0.00 0.10 -1.42 1.20 -0.00 -1.98 0.22 115.31 113.43 1nmr h LEU 11 Ca 0.00 0.01 0.04 0.00 -0.00 0.00 0.00 57.88 57.93 1nmr h LEU 11 Cb 0.00 -0.00 -0.04 0.00 -0.00 0.00 0.00 40.66 40.62 1nmr h LEU 11 CO 0.00 0.03 0.42 0.28 -0.00 0.00 0.00 178.44 179.18 1nmr h SER 12 N 0.10 0.65 0.09 0.17 0.02 -1.93 -0.64 113.55 112.01 1nmr h SER 12 Ca 0.46 -0.01 0.00 0.00 -0.84 0.00 0.00 61.79 61.41 1nmr h SER 12 Cb 1.67 -0.15 0.00 0.00 0.14 0.00 0.00 62.40 64.06 1nmr h SER 12 CO -0.06 0.44 -0.13 0.41 -1.14 0.00 0.00 176.83 176.35 1nmr n THR 13 N -4.46 0.00 1.46 -2.27 -1.04 0.75 -3.91 114.28 104.81 1nmr n THR 13 Ca 0.08 -0.22 0.03 0.00 -2.04 0.00 0.00 64.05 61.90 1nmr n THR 13 Cb 0.14 0.57 0.10 0.00 -1.82 0.00 0.00 70.33 69.32 1nmr n THR 13 CO 0.00 0.00 0.00 0.52 -0.64 0.00 0.00 175.07 174.95 1nmr n VAL 14 N -0.09 0.22 0.07 12.58 0.31 -0.25 -3.58 118.33 127.60 1nmr n VAL 14 Ca 0.15 -0.23 -0.06 0.00 -0.01 0.00 0.00 64.34 64.20 1nmr n VAL 14 Cb 0.38 0.11 -0.10 0.00 -0.91 0.00 0.00 33.84 33.32 1nmr n VAL 14 CO 0.00 0.00 0.00 0.25 -1.32 0.00 0.00 176.83 175.76 1nmr h LEU 15 N 1.01 0.00 -6.64 7.52 5.85 -1.68 -3.39 115.31 117.98 1nmr h LEU 15 Ca 0.00 0.00 -0.63 0.00 0.84 0.00 0.00 57.88 58.09 1nmr h LEU 15 Cb 0.23 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.26 1nmr h LEU 15 CO 0.00 0.92 2.38 0.00 -0.34 0.00 0.00 178.44 181.40 1nmr n ALA 16 N -2.34 3.79 0.02 1.25 0.00 -1.23 -4.26 120.51 117.73 1nmr n ALA 16 Ca -0.00 -3.49 0.00 0.00 0.00 0.00 0.00 53.44 49.95 1nmr n ALA 16 Cb 0.91 -3.59 0.00 0.00 0.00 0.00 0.00 19.45 16.77 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 8.02 0.15 -3.53 0.00 2.85 -1.26 -4.98 115.26 116.51 1nmr n ASN 17 Ca 0.50 0.05 -0.27 0.00 -0.11 0.00 0.00 54.58 54.75 1nmr n ASN 17 Cb 0.41 -0.03 -0.09 0.00 1.24 0.00 0.00 39.78 41.31 1nmr n ASN 17 CO 0.00 0.00 0.00 0.18 -2.11 0.00 0.00 177.26 175.33 1nmr n LEU 18 N -2.70 2.64 -0.08 1.20 4.32 -1.26 -4.91 117.00 116.20 1nmr n LEU 18 Ca 0.00 -5.17 -0.08 0.00 -0.02 0.00 0.00 56.01 50.74 1nmr n LEU 18 Cb 0.00 -0.40 -0.03 0.00 -1.62 0.00 0.00 43.42 41.37 1nmr n LEU 18 CO 0.00 1.95 -0.50 0.41 -1.22 0.00 0.00 177.39 178.03 1nmr n THR 19 N 1.46 1.45 0.29 -5.08 -1.04 -1.26 -3.35 114.28 106.75 1nmr n THR 19 Ca 0.26 0.16 0.18 0.00 -2.04 0.00 0.00 64.05 62.60 1nmr n THR 19 Cb 0.41 -2.34 0.79 0.00 -1.82 0.00 0.00 70.33 67.37 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 0.05 -2.82 0.13 -1.98 0.23 132.00 126.61 1nmr h PRO 20 Ca -0.05 0.00 -0.16 0.00 -0.87 0.00 0.00 66.00 64.92 1nmr h PRO 20 Cb 0.75 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.88 1nmr h PRO 20 CO -0.03 0.02 -0.82 1.49 -0.23 0.00 0.00 178.00 178.42 1nmr h GLU 21 N 0.00 0.11 0.21 0.86 4.81 -1.94 -3.15 114.58 115.48 1nmr h GLU 21 Ca -0.00 -0.18 -0.01 0.00 -0.13 0.00 0.00 59.36 59.04 1nmr h GLU 21 Cb 0.41 0.07 0.00 0.00 0.63 0.00 0.00 28.75 29.86 1nmr h GLU 21 CO 0.00 1.09 -0.10 1.96 -0.73 0.00 0.00 179.01 181.23 1nmr h GLN 22 N -0.73 -0.27 -0.48 1.92 1.08 -1.54 -2.91 115.11 112.18 1nmr h GLN 22 Ca -0.19 0.02 0.10 0.00 -1.45 0.00 0.00 58.65 57.12 1nmr h GLN 22 Cb 1.37 0.06 -0.10 0.00 -0.05 0.00 0.00 27.48 28.77 1nmr h GLN 22 CO -0.02 0.11 -0.17 0.37 -0.95 0.00 0.00 178.83 178.17 1nmr h GLN 23 N -0.79 -0.06 -0.73 1.46 4.15 -1.15 -0.25 115.11 117.74 1nmr h GLN 23 Ca -0.03 0.00 0.11 0.00 0.77 0.00 0.00 58.65 59.50 1nmr h GLN 23 Cb 0.51 0.01 -0.08 0.00 0.21 0.00 0.00 27.48 28.14 1nmr h GLN 23 CO 0.05 -0.04 0.35 0.87 -1.93 0.00 0.00 178.83 178.12 1nmr h LYS 24 N -0.06 0.55 0.28 1.69 1.79 -1.61 -0.81 116.57 118.39 1nmr h LYS 24 Ca 0.23 -0.03 0.00 0.00 -2.18 0.00 0.00 60.65 58.67 1nmr h LYS 24 Cb 0.42 -0.12 -0.02 0.00 -1.58 0.00 0.00 32.23 30.93 1nmr h LYS 24 CO -0.53 0.36 -0.27 -0.91 -1.08 0.00 0.00 179.45 177.02 1nmr h ASN 25 N 0.56 -0.73 -0.56 0.86 2.35 -0.85 -1.98 115.58 115.23 1nmr h ASN 25 Ca 0.37 0.06 0.03 0.00 -0.55 0.00 0.00 56.30 56.22 1nmr h ASN 25 Cb 0.45 0.25 -0.04 0.00 0.05 0.00 0.00 38.32 39.03 1nmr h ASN 25 CO -0.31 -0.40 0.34 1.62 -1.65 0.00 0.00 177.43 177.03 1nmr h VAL 26 N -0.59 1.06 -0.38 2.81 3.04 -0.96 -2.41 116.25 118.81 1nmr h VAL 26 Ca -0.01 -0.23 0.08 0.00 -1.01 0.00 0.00 66.70 65.53 1nmr h VAL 26 Cb 0.53 0.33 -0.08 0.00 -2.01 0.00 0.00 31.29 30.06 1nmr h VAL 26 CO -0.05 0.12 -0.18 -0.07 -1.01 0.00 0.00 177.57 176.38 1nmr h LEU 27 N 0.67 -0.60 -1.19 3.16 3.38 -0.91 0.17 115.31 119.98 1nmr h LEU 27 Ca 0.23 0.14 -0.01 0.00 0.09 0.00 0.00 57.88 58.33 1nmr h LEU 27 Cb 0.03 0.33 -0.03 0.00 0.09 0.00 0.00 40.66 41.08 1nmr h LEU 27 CO -0.10 -0.21 0.38 1.23 0.09 0.00 0.00 178.44 179.82 1nmr h GLY 28 N -0.11 1.00 0.63 0.83 0.00 -1.02 0.36 103.07 104.75 1nmr h GLY 28 Ca 0.19 -0.43 -0.01 0.00 0.00 0.00 0.00 47.33 47.08 1nmr h GLY 28 CO -0.45 0.42 -0.10 0.83 0.00 0.00 0.00 176.54 177.23 1nmr h GLU 29 N 0.94 -0.27 0.00 4.80 4.39 -0.75 -2.20 114.58 121.50 1nmr h GLU 29 Ca 0.24 0.02 0.00 0.00 0.34 0.00 0.00 59.36 59.96 1nmr h GLU 29 Cb 0.01 0.06 0.00 0.00 -0.10 0.00 0.00 28.75 28.73 1nmr h GLU 29 CO -0.04 0.07 0.00 0.54 -1.16 0.00 0.00 179.01 178.42 1nmr n ARG 30 N -5.05 0.20 -0.00 2.33 5.12 0.47 -3.23 116.66 116.49 1nmr n ARG 30 Ca -0.09 0.46 -0.02 0.00 -1.93 0.00 0.00 57.85 56.28 1nmr n ARG 30 Cb 0.25 -1.91 -0.01 0.00 -1.16 0.00 0.00 32.46 29.63 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 -0.09 -1.53 0.55 5.85 -0.06 -3.23 115.31 116.80 1nmr h LEU 31 Ca 0.00 0.00 0.26 0.00 0.84 0.00 0.00 57.88 58.99 1nmr h LEU 31 Cb 0.32 0.02 -0.08 0.00 0.37 0.00 0.00 40.66 41.29 1nmr h LEU 31 CO 0.00 0.35 0.68 0.22 -0.34 0.00 0.00 178.44 179.35 1nmr h TYR 32 N -0.92 0.49 -0.62 1.25 5.03 -1.43 0.10 116.97 120.87 1nmr h TYR 32 Ca -0.01 0.02 -0.06 0.00 2.58 0.00 0.00 58.73 61.26 1nmr h TYR 32 Cb 0.08 -0.14 -0.03 0.00 1.55 0.00 0.00 36.73 38.19 1nmr h TYR 32 CO 0.00 0.06 0.15 -0.97 -1.32 0.00 0.00 178.16 176.09 1nmr h ASN 33 N 0.31 0.94 -0.66 -2.11 -1.24 -1.67 2.75 115.58 113.91 1nmr h ASN 33 Ca 0.55 -0.23 -0.03 0.00 0.71 0.00 0.00 56.30 57.30 1nmr h ASN 33 Cb 1.56 -0.25 -0.03 0.00 0.73 0.00 0.00 38.32 40.33 1nmr h ASN 33 CO -0.21 0.93 0.30 1.12 -1.29 0.00 0.00 177.43 178.28 1nmr h HIS 34 N 0.91 0.97 0.00 0.67 2.07 -0.82 -3.14 115.15 115.82 1nmr h HIS 34 Ca 0.20 -0.06 0.00 0.00 -2.85 0.00 0.00 60.37 57.66 1nmr h HIS 34 Cb 0.35 -0.30 0.00 0.00 2.57 0.00 0.00 27.41 30.04 1nmr h HIS 34 CO 0.03 0.74 -1.18 1.51 -3.07 0.00 0.00 177.93 175.96 1nmr n ILE 35 N -4.45 0.09 0.01 6.12 3.06 -1.04 -4.02 119.36 119.13 1nmr n ILE 35 Ca 0.05 -0.21 -0.12 0.00 -2.50 0.00 0.00 62.75 59.96 1nmr n ILE 35 Cb 0.15 0.40 -0.08 0.00 0.54 0.00 0.00 39.64 40.64 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 1.15 0.00 9.51 3.04 0.49 1.33 116.25 131.78 1nmr h VAL 36 Ca 0.00 -0.45 -0.08 0.00 -1.01 0.00 0.00 66.70 65.17 1nmr h VAL 36 Cb 0.71 1.43 -0.01 0.00 -2.01 0.00 0.00 31.29 31.40 1nmr h VAL 36 CO 0.00 0.12 -0.37 0.00 -1.01 0.00 0.00 177.57 176.31 1nmr h ALA 37 N 0.82 0.87 0.00 3.17 0.00 -1.78 -2.95 119.26 119.39 1nmr h ALA 37 Ca 0.00 -0.33 0.00 0.00 0.00 0.00 0.00 54.91 54.58 1nmr h ALA 37 Cb 0.19 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.92 1nmr h ALA 37 CO -0.00 0.46 -0.19 0.82 0.00 0.00 0.00 179.25 180.34 1nmr h ILE 38 N 0.00 0.00 -2.62 0.00 1.08 -1.65 -3.44 117.51 110.88 1nmr h ILE 38 Ca -0.00 -0.41 -0.61 0.00 -0.39 0.00 0.00 64.86 63.45 1nmr h ILE 38 Cb 1.05 0.00 -0.42 0.00 -3.07 0.00 0.00 36.82 34.39 1nmr h ILE 38 CO 0.05 0.00 -0.61 0.59 -0.69 0.00 0.00 178.15 177.48 1nmr n ASN 39 N -3.22 3.12 -0.18 1.72 5.03 0.46 -4.95 115.26 117.24 1nmr n ASN 39 Ca -0.03 -3.27 -0.01 0.00 0.87 0.00 0.00 54.58 52.15 1nmr n ASN 39 Cb 0.10 -0.71 0.08 0.00 -1.02 0.00 0.00 39.78 38.23 1nmr n ASN 39 CO 0.00 0.00 0.00 -0.65 -1.83 0.00 0.00 177.26 174.78 1nmr h PRO 40 N 4.80 0.13 -2.08 3.52 0.11 -1.29 -1.95 132.00 135.25 1nmr h PRO 40 Ca 0.17 -0.01 -0.09 0.00 0.11 0.00 0.00 66.00 66.19 1nmr h PRO 40 Cb 0.72 -0.03 -0.03 0.00 0.11 0.00 0.00 31.00 31.77 1nmr h PRO 40 CO 0.75 0.09 -0.15 0.00 -0.21 0.00 0.00 178.00 178.48 1nmr n ALA 41 N -2.71 4.76 0.00 -0.75 0.00 -1.26 -3.15 120.51 117.40 1nmr n ALA 41 Ca 0.07 -0.87 0.00 0.00 0.00 0.00 0.00 53.44 52.64 1nmr n ALA 41 Cb 0.31 -1.79 0.00 0.00 0.00 0.00 0.00 19.45 17.97 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 2.12 0.04 -0.33 0.00 0.00 -0.80 -4.66 120.51 116.89 1nmr n ALA 42 Ca 0.21 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.65 1nmr n ALA 42 Cb 0.63 0.00 0.05 0.00 0.00 0.00 0.00 19.45 20.13 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 -1.98 -0.04 -0.28 0.00 0.00 -0.83 0.21 120.51 117.58 1nmr n ALA 43 Ca 0.00 0.87 0.23 0.00 0.00 0.00 0.00 53.44 54.54 1nmr n ALA 43 Cb 0.00 -0.42 0.55 0.00 0.00 0.00 0.00 19.45 19.58 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 1.29 2.36 0.17 0.00 0.00 -1.88 0.74 119.26 121.93 1nmr h ALA 44 Ca 0.32 0.03 -0.30 0.00 0.00 0.00 0.00 54.91 54.96 1nmr h ALA 44 Cb 0.54 0.01 0.01 0.00 0.00 0.00 0.00 17.79 18.35 1nmr h ALA 44 CO -0.86 -0.69 -1.46 0.87 0.00 0.00 0.00 179.25 177.11 1nmr h LYS 45 N 0.33 0.35 -0.43 0.00 1.79 0.20 -2.69 116.57 116.12 1nmr h LYS 45 Ca 0.53 -0.60 -0.07 0.00 -2.18 0.00 0.00 60.65 58.33 1nmr h LYS 45 Cb 1.46 0.22 -0.02 0.00 -1.58 0.00 0.00 32.23 32.31 1nmr h LYS 45 CO -0.20 1.29 -0.02 0.28 -1.08 0.00 0.00 179.45 179.73 1nmr h VAL 46 N -0.10 1.23 0.03 0.50 2.07 0.10 0.96 116.25 121.04 1nmr h VAL 46 Ca -0.29 -0.97 -0.00 0.00 0.82 0.00 0.00 66.70 66.26 1nmr h VAL 46 Cb 1.92 0.92 0.00 0.00 -1.52 0.00 0.00 31.29 32.62 1nmr h VAL 46 CO 0.15 0.34 -0.02 0.74 0.02 0.00 0.00 177.57 178.80 1nmr h THR 47 N 0.66 1.18 0.16 2.57 2.02 0.30 -0.54 112.91 119.26 1nmr h THR 47 Ca 0.13 -1.73 -0.01 0.00 0.77 0.00 0.00 66.41 65.57 1nmr h THR 47 Cb 0.43 2.17 0.00 0.00 -1.74 0.00 0.00 68.15 69.01 1nmr h THR 47 CO 0.02 0.38 -0.08 1.23 0.37 0.00 0.00 175.52 177.44 1nmr h GLY 48 N -0.94 -0.22 0.39 2.16 0.00 -1.52 -3.32 103.07 99.62 1nmr h GLY 48 Ca -0.00 0.08 -0.00 0.00 0.00 0.00 0.00 47.33 47.41 1nmr h GLY 48 CO 0.01 -0.08 -0.02 -0.33 0.00 0.00 0.00 176.54 176.11 1nmr h MET 49 N -0.56 -0.06 0.00 4.80 2.07 -1.00 -3.42 114.93 116.76 1nmr h MET 49 Ca -0.02 0.00 0.00 0.00 -2.07 0.00 0.00 59.70 57.61 1nmr h MET 49 Cb 0.43 0.01 0.00 0.00 -1.87 0.00 0.00 31.60 30.17 1nmr h MET 49 CO 0.04 0.50 0.00 -0.11 1.07 0.00 0.00 176.91 178.41 1nmr n LEU 50 N -4.83 0.00 -4.17 1.22 7.94 -0.21 -3.46 117.00 113.49 1nmr n LEU 50 Ca -0.09 0.00 -0.40 0.00 -1.11 0.00 0.00 56.01 54.41 1nmr n LEU 50 Cb 0.29 0.00 -0.02 0.00 0.53 0.00 0.00 43.42 44.23 1nmr n LEU 50 CO 0.31 0.00 2.14 0.18 -1.11 0.00 0.00 177.39 178.92 1nmr n LEU 51 N 0.00 5.10 -5.02 -1.96 4.32 -1.26 -3.59 117.00 114.58 1nmr n LEU 51 Ca 0.00 -3.71 -0.21 0.00 -0.02 0.00 0.00 56.01 52.07 1nmr n LEU 51 Cb 0.00 -1.62 0.08 0.00 -1.62 0.00 0.00 43.42 40.26 1nmr n LEU 51 CO 0.00 0.04 0.43 -1.61 -1.22 0.00 0.00 177.39 175.03 1nmr s GLU 52 N 4.40 2.04 0.06 3.23 0.41 -1.22 -4.80 118.70 122.81 1nmr s GLU 52 Ca 0.55 -1.49 -0.34 0.00 -0.41 0.00 0.00 54.97 53.28 1nmr s GLU 52 Cb 0.08 -2.53 -0.18 0.00 -1.78 0.00 0.00 34.13 29.71 1nmr s GLU 52 CO 0.04 -1.11 1.51 0.52 -0.49 0.00 0.00 175.26 175.74 1nmr h MET 53 N -0.10 -1.14 0.00 1.61 2.86 -1.95 -2.07 114.93 114.14 1nmr h MET 53 Ca -0.31 0.08 0.00 0.00 -2.06 0.00 0.00 59.70 57.40 1nmr h MET 53 Cb 1.28 0.26 0.00 0.00 0.06 0.00 0.00 31.60 33.20 1nmr h MET 53 CO 0.40 -0.76 -0.33 -0.40 1.06 0.00 0.00 176.91 176.88 1nmr n ASP 54 N -5.30 1.10 0.04 1.22 5.75 -1.26 -3.76 116.55 114.34 1nmr n ASP 54 Ca -0.15 0.46 0.22 0.00 -0.01 0.00 0.00 54.79 55.31 1nmr n ASP 54 Cb 0.48 -0.72 0.71 0.00 -1.03 0.00 0.00 41.12 40.56 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 -0.60 0.00 0.32 -1.12 -1.24 -1.90 -2.55 115.58 108.50 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 0.33 0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.39 1nmr h ASN 55 CO 0.00 0.00 -0.16 1.23 -1.29 0.00 0.00 177.43 177.21 1nmr h GLY 56 N 0.00 -0.46 -0.74 1.57 0.00 -1.43 -3.16 103.07 98.86 1nmr h GLY 56 Ca 0.24 0.17 0.15 0.00 0.00 0.00 0.00 47.33 47.89 1nmr h GLY 56 CO -0.00 -0.17 -0.19 1.18 0.00 0.00 0.00 176.54 177.37 1nmr n GLU 57 N -4.50 -0.07 -0.22 4.80 -0.58 -0.96 0.22 120.64 119.33 1nmr n GLU 57 Ca -0.05 1.15 -0.03 0.00 -0.42 0.00 0.00 57.16 57.80 1nmr n GLU 57 Cb 0.17 -1.72 0.08 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 1.04 -1.32 -3.67 2.04 -1.66 -2.28 117.51 111.66 1nmr h ILE 58 Ca 0.35 -0.25 0.43 0.00 1.00 0.00 0.00 64.86 66.39 1nmr h ILE 58 Cb 0.54 0.24 -0.11 0.00 -0.74 0.00 0.00 36.82 36.75 1nmr h ILE 58 CO -0.76 0.13 0.88 0.00 0.00 0.00 0.00 178.15 178.40 1nmr n LEU 59 N -4.74 0.13 0.24 1.44 -0.00 0.60 0.96 117.00 115.63 1nmr n LEU 59 Ca 0.07 1.10 0.08 0.00 -0.00 0.00 0.00 56.01 57.26 1nmr n LEU 59 Cb 0.11 -0.54 0.45 0.00 -0.00 0.00 0.00 43.42 43.44 1nmr n LEU 59 CO 0.31 -1.17 0.93 -1.13 -0.00 0.00 0.00 177.39 176.33 1nmr h ASN 60 N 0.00 0.00 -1.50 1.45 -0.73 -1.42 -1.19 115.58 112.19 1nmr h ASN 60 Ca 0.77 0.00 -0.52 0.00 1.87 0.00 0.00 56.30 58.42 1nmr h ASN 60 Cb 2.64 0.00 -0.41 0.00 0.27 0.00 0.00 38.32 40.82 1nmr h ASN 60 CO -0.30 0.00 -0.89 0.18 -0.37 0.00 0.00 177.43 176.06 1nmr n LEU 61 N -2.36 3.48 -2.61 0.34 4.77 0.27 -5.05 117.00 115.83 1nmr n LEU 61 Ca -0.01 -4.83 -0.11 0.00 -0.03 0.00 0.00 56.01 51.02 1nmr n LEU 61 Cb 0.45 -0.14 -0.12 0.00 -2.33 0.00 0.00 43.42 41.28 1nmr n LEU 61 CO 0.07 2.06 1.16 0.18 -1.33 0.00 0.00 177.39 179.53 1nmr n LEU 62 N -0.28 -0.91 -4.89 2.23 4.77 -0.45 -4.82 117.00 112.66 1nmr n LEU 62 Ca 0.28 -0.38 -0.20 0.00 -0.03 0.00 0.00 56.01 55.68 1nmr n LEU 62 Cb 0.67 -0.32 -0.03 0.00 -2.33 0.00 0.00 43.42 41.42 1nmr n LEU 62 CO 0.31 -0.86 0.00 -1.81 -1.33 0.00 0.00 177.39 173.70 1nmr s ASP 63 N 0.00 5.22 -0.07 -1.43 1.11 -1.26 -4.98 116.67 115.26 1nmr s ASP 63 Ca 0.69 -0.62 -0.24 0.00 0.18 0.00 0.00 52.55 52.55 1nmr s ASP 63 Cb -0.44 -0.70 -0.20 0.00 1.07 0.00 0.00 42.92 42.65 1nmr s ASP 63 CO 0.30 -0.59 0.97 0.74 1.18 0.00 0.00 175.17 177.76 1nmr h THR 64 N 1.02 1.27 0.03 -1.27 2.02 -1.98 -3.14 112.91 110.87 1nmr h THR 64 Ca -0.42 -1.45 -0.00 0.00 0.77 0.00 0.00 66.41 65.30 1nmr h THR 64 Cb 1.26 2.18 0.00 0.00 -1.74 0.00 0.00 68.15 69.85 1nmr h THR 64 CO 0.56 0.35 -0.02 1.55 0.37 0.00 0.00 175.52 178.33 1nmr h PRO 65 N -0.77 -0.04 -0.54 6.66 0.13 -1.97 -3.00 132.00 132.47 1nmr h PRO 65 Ca -0.01 0.00 0.07 0.00 -0.87 0.00 0.00 66.00 65.20 1nmr h PRO 65 Cb 0.62 0.01 -0.10 0.00 0.13 0.00 0.00 31.00 31.67 1nmr h PRO 65 CO 0.01 -0.03 -0.50 0.78 -0.23 0.00 0.00 178.00 178.03 1nmr h GLY 66 N -0.14 -0.73 0.00 1.56 0.00 -1.95 0.29 103.07 102.10 1nmr h GLY 66 Ca -0.00 0.65 0.00 0.00 0.00 0.00 0.00 47.33 47.98 1nmr h GLY 66 CO 0.01 -0.12 0.00 -0.10 0.00 0.00 0.00 176.54 176.32 1nmr n LEU 67 N -5.38 0.00 -0.17 3.11 -0.00 -1.18 0.66 117.00 114.04 1nmr n LEU 67 Ca -0.01 1.00 0.29 0.00 -0.00 0.00 0.00 56.01 57.29 1nmr n LEU 67 Cb 0.34 -0.50 0.67 0.00 -0.00 0.00 0.00 43.42 43.93 1nmr n LEU 67 CO -0.02 -0.50 1.27 -0.07 -0.00 0.00 0.00 177.39 178.07 1nmr h LEU 68 N 0.00 0.00 0.00 -1.96 4.07 -1.39 1.28 115.31 117.32 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 -0.14 -0.78 -1.08 0.00 0.00 178.44 176.44 1nmr h ASP 69 N 0.00 0.00 0.43 -0.43 3.58 0.15 -2.81 116.42 117.34 1nmr h ASP 69 Ca 0.44 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.89 1nmr h ASP 69 Cb 2.12 0.00 0.00 0.00 1.72 0.00 0.00 39.33 43.17 1nmr h ASP 69 CO -0.00 0.54 0.00 0.00 -2.88 0.00 0.00 179.24 176.90 1nmr n ALA 70 N -2.98 1.42 -0.07 -0.78 0.00 0.21 -2.06 120.51 116.26 1nmr n ALA 70 Ca -0.02 0.10 -0.09 0.00 0.00 0.00 0.00 53.44 53.43 1nmr n ALA 70 Cb 0.07 -1.32 -0.07 0.00 0.00 0.00 0.00 19.45 18.13 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 -0.43 0.00 1.79 0.15 -3.05 116.57 115.03 1nmr h LYS 71 Ca 0.00 0.00 -0.03 0.00 -2.18 0.00 0.00 60.65 58.44 1nmr h LYS 71 Cb 0.21 0.00 -0.02 0.00 -1.58 0.00 0.00 32.23 30.85 1nmr h LYS 71 CO 0.00 0.51 0.15 -0.39 -1.08 0.00 0.00 179.45 178.64 1nmr h VAL 72 N -1.00 1.21 0.25 0.50 -1.51 -1.40 -2.08 116.25 112.23 1nmr h VAL 72 Ca -0.07 -0.69 -0.01 0.00 -1.23 0.00 0.00 66.70 64.70 1nmr h VAL 72 Cb 0.66 0.85 0.00 0.00 -2.13 0.00 0.00 31.29 30.67 1nmr h VAL 72 CO -0.04 0.25 -0.12 1.56 -1.23 0.00 0.00 177.57 177.99 1nmr h GLN 73 N 0.56 -0.33 -0.93 5.19 1.08 -1.61 1.01 115.11 120.09 1nmr h GLN 73 Ca 0.14 0.02 0.14 0.00 -1.45 0.00 0.00 58.65 57.50 1nmr h GLN 73 Cb 0.24 0.07 -0.08 0.00 -0.05 0.00 0.00 27.48 27.67 1nmr h GLN 73 CO -0.01 -0.10 0.59 1.49 -0.95 0.00 0.00 178.83 179.85 1nmr h GLU 74 N -0.50 0.76 0.05 1.46 4.22 -1.52 0.67 114.58 119.71 1nmr h GLU 74 Ca -0.03 -0.05 -0.27 0.00 0.08 0.00 0.00 59.36 59.08 1nmr h GLU 74 Cb 0.38 -0.17 -0.03 0.00 0.50 0.00 0.00 28.75 29.43 1nmr h GLU 74 CO 0.06 0.50 -1.43 0.00 -2.18 0.00 0.00 179.01 175.96 1nmr h ALA 75 N 1.58 0.44 -0.15 2.92 0.00 -1.19 -2.75 119.26 120.11 1nmr h ALA 75 Ca 0.47 -1.15 -0.17 0.00 0.00 0.00 0.00 54.91 54.05 1nmr h ALA 75 Cb 0.66 0.22 -0.00 0.00 0.00 0.00 0.00 17.79 18.67 1nmr h ALA 75 CO -0.23 1.30 -0.63 -0.07 0.00 0.00 0.00 179.25 179.62 1nmr h LEU 76 N 0.03 0.60 -0.04 0.00 3.38 0.20 -2.66 115.31 116.83 1nmr h LEU 76 Ca -0.19 -0.35 -0.03 0.00 0.09 0.00 0.00 57.88 57.40 1nmr h LEU 76 Cb 1.94 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 42.52 1nmr h LEU 76 CO 0.13 1.08 -0.11 -0.08 0.09 0.00 0.00 178.44 179.54 1nmr h GLU 77 N 0.39 0.14 0.00 1.13 4.57 0.20 -3.03 114.58 117.98 1nmr h GLU 77 Ca -0.01 -0.10 0.00 0.00 -1.18 0.00 0.00 59.36 58.07 1nmr h GLU 77 Cb 1.19 0.02 0.00 0.00 -0.16 0.00 0.00 28.75 29.79 1nmr h GLU 77 CO 0.12 0.72 0.00 1.55 -1.18 0.00 0.00 179.01 180.22 1nmr n VAL 78 N -4.65 1.30 0.00 0.32 3.14 -1.04 -3.28 118.33 114.13 1nmr n VAL 78 Ca -0.08 0.55 0.00 0.00 -2.96 0.00 0.00 64.34 61.85 1nmr n VAL 78 Cb 0.37 -1.52 0.00 0.00 -1.06 0.00 0.00 33.84 31.64 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 -1.95 0.00 -0.27 6.55 7.94 -1.00 -2.35 117.00 125.91 1nmr n LEU 79 Ca -0.00 0.94 0.00 0.00 -1.11 0.00 0.00 56.01 55.85 1nmr n LEU 79 Cb 0.06 -0.44 0.02 0.00 0.53 0.00 0.00 43.42 43.58 1nmr n LEU 79 CO 0.08 -0.44 0.41 0.59 -1.11 0.00 0.00 177.39 176.92 1nmr n ASN 80 N -2.08 0.62 -0.67 1.96 4.13 -1.22 -4.06 115.26 113.95 1nmr n ASN 80 Ca 0.00 -2.02 0.00 0.00 1.68 0.00 0.00 54.58 54.24 1nmr n ASN 80 Cb 0.00 -0.23 0.00 0.00 -1.54 0.00 0.00 39.78 38.01 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 -0.22 0.80 0.00 3.52 5.12 -0.99 -3.91 116.66 120.98 1nmr n ARG 81 Ca 0.01 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 55.93 1nmr n ARG 81 Cb 0.14 -1.30 0.00 0.00 -1.16 0.00 0.00 32.46 30.14 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 0.27 0.00 -0.54 -1.55 8.25 -1.26 -4.88 115.22 115.51 1nmr n HIS 82 Ca 0.00 0.00 -0.18 0.00 -0.26 0.00 0.00 57.72 57.28 1nmr n HIS 82 Cb 0.27 -0.03 0.14 0.00 1.12 0.00 0.00 29.99 31.49 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 -0.30 -2.18 -0.43 -0.41 0.00 -1.25 -4.81 117.12 107.73 1nmr n MET 83 Ca 0.00 -0.65 -0.02 0.00 0.00 0.00 0.00 57.70 57.04 1nmr n MET 83 Cb 0.07 -1.45 0.14 0.00 0.00 0.00 0.00 33.22 31.97 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 -1.09 3.12 -0.06 6.12 3.02 -1.26 -5.24 115.26 119.86 1nmr n ASN 84 Ca 0.06 -2.49 0.01 0.00 -0.03 0.00 0.00 54.58 52.12 1nmr n ASN 84 Cb 0.34 -0.60 0.01 0.00 -0.61 0.00 0.00 39.78 38.92 1nmr n ASN 84 CO 0.00 0.00 0.00 0.55 -2.62 0.00 0.00 177.26 175.19