#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 -0.87 -2.93 1.61 7.64 -1.26 -4.67 113.62 113.15 1nmr n SER 2 Ca 0.00 1.33 -0.11 0.00 1.01 0.00 0.00 58.87 61.10 1nmr n SER 2 Cb 0.00 -5.02 0.01 0.00 -1.01 0.00 0.00 64.21 58.20 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 1.80 -7.65 -3.55 6.43 7.64 -1.26 -5.01 113.62 112.02 1nmr n SER 3 Ca -0.40 0.53 -0.25 0.00 1.01 0.00 0.00 58.87 59.75 1nmr n SER 3 Cb 0.62 -4.89 0.19 0.00 -1.01 0.00 0.00 64.21 59.12 1nmr n SER 3 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 1nmr n LEU 4 N -0.18 0.00 -4.67 -3.43 4.77 -1.26 -4.94 117.00 107.29 1nmr n LEU 4 Ca 0.08 -1.16 -0.47 0.00 -0.03 0.00 0.00 56.01 54.44 1nmr n LEU 4 Cb 0.45 -0.86 -0.04 0.00 -2.33 0.00 0.00 43.42 40.63 1nmr n LEU 4 CO 0.48 -1.53 1.26 0.00 -1.33 0.00 0.00 177.39 176.27 1nmr n ALA 5 N -4.01 1.23 -1.24 -1.18 0.00 -1.26 -4.95 120.51 109.10 1nmr n ALA 5 Ca -0.18 0.41 -0.30 0.00 0.00 0.00 0.00 53.44 53.37 1nmr n ALA 5 Cb 0.50 -2.38 0.12 0.00 0.00 0.00 0.00 19.45 17.68 1nmr n ALA 5 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 1nmr s SER 6 N 1.64 3.89 0.45 0.00 0.01 -1.26 -5.04 113.70 113.39 1nmr s SER 6 Ca 0.82 1.61 -0.03 0.00 1.31 0.00 0.00 55.95 59.66 1nmr s SER 6 Cb -0.68 -2.29 -0.02 0.00 0.21 0.00 0.00 66.02 63.23 1nmr s SER 6 CO 0.41 -2.40 0.72 -1.58 0.41 0.00 0.00 173.24 170.80 1nmr s GLN 7 N -4.93 3.36 -0.95 12.44 2.00 -1.26 -5.01 119.66 125.31 1nmr s GLN 7 Ca 0.62 -0.09 -0.01 0.00 -2.00 0.00 0.00 55.36 53.88 1nmr s GLN 7 Cb -0.18 -2.47 0.33 0.00 0.80 0.00 0.00 33.01 31.49 1nmr s GLN 7 CO 0.57 -0.19 1.80 0.41 -0.50 0.00 0.00 175.29 177.38 1nmr n GLY 8 N -2.14 5.97 2.10 2.59 0.00 -1.26 -4.84 105.19 107.61 1nmr n GLY 8 Ca -0.00 -2.57 -0.19 0.00 0.00 0.00 0.00 46.02 43.25 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 -0.19 2.42 0.25 1.61 10.64 -1.26 -4.48 117.38 126.36 1nmr n GLN 9 Ca 0.47 -1.36 0.11 0.00 -1.83 0.00 0.00 57.00 54.39 1nmr n GLN 9 Cb 0.27 -2.18 0.65 0.00 -0.86 0.00 0.00 30.24 28.12 1nmr n GLN 9 CO 0.00 0.00 0.00 -0.97 -1.83 0.00 0.00 177.06 174.26 1nmr h ASN 10 N 3.44 0.00 0.69 2.61 -1.24 -1.99 -1.55 115.58 117.55 1nmr h ASN 10 Ca 0.35 0.00 -0.03 0.00 0.71 0.00 0.00 56.30 57.33 1nmr h ASN 10 Cb 1.20 0.00 0.01 0.00 0.73 0.00 0.00 38.32 40.26 1nmr h ASN 10 CO 0.61 0.16 -0.33 -0.07 -1.29 0.00 0.00 177.43 176.50 1nmr h LEU 11 N 0.00 -0.79 -1.69 0.34 3.38 -1.88 -2.06 115.31 112.61 1nmr h LEU 11 Ca -0.00 0.03 -0.03 0.00 0.09 0.00 0.00 57.88 57.97 1nmr h LEU 11 Cb 0.40 0.20 -0.00 0.00 0.09 0.00 0.00 40.66 41.35 1nmr h LEU 11 CO 0.02 -0.43 -0.12 -1.28 0.09 0.00 0.00 178.44 176.72 1nmr h SER 12 N -1.20 0.00 0.00 -0.43 0.87 -1.93 -3.28 113.55 107.57 1nmr h SER 12 Ca -0.10 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.46 1nmr h SER 12 Cb 0.71 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.67 1nmr h SER 12 CO 0.16 0.12 0.00 0.41 -0.53 0.00 0.00 176.83 176.99 1nmr n THR 13 N -3.42 0.00 -1.99 2.23 -1.04 -0.59 -4.88 114.28 104.60 1nmr n THR 13 Ca -0.01 1.10 -0.29 0.00 -2.04 0.00 0.00 64.05 62.81 1nmr n THR 13 Cb 0.29 -2.10 0.19 0.00 -1.82 0.00 0.00 70.33 66.90 1nmr n THR 13 CO 0.00 0.00 0.00 0.54 -0.64 0.00 0.00 175.07 174.97 1nmr s VAL 14 N -2.19 2.00 -0.09 12.58 0.11 -0.78 -4.94 120.40 127.09 1nmr s VAL 14 Ca 0.00 -0.04 0.01 0.00 -2.93 0.00 0.00 61.98 59.01 1nmr s VAL 14 Cb 0.00 -2.96 0.13 0.00 -1.53 0.00 0.00 36.38 32.02 1nmr s VAL 14 CO 0.00 0.00 1.27 0.18 -3.33 0.00 0.00 175.10 173.22 1nmr n LEU 15 N -3.76 3.95 0.29 2.54 7.99 -1.26 -4.30 117.00 122.45 1nmr n LEU 15 Ca 0.16 -2.00 0.18 0.00 -0.01 0.00 0.00 56.01 54.33 1nmr n LEU 15 Cb 0.59 -0.62 0.89 0.00 -0.11 0.00 0.00 43.42 44.17 1nmr n LEU 15 CO 0.44 0.66 1.06 0.00 -1.51 0.00 0.00 177.39 178.04 1nmr h ALA 16 N 1.74 1.10 -0.01 -1.18 0.00 -1.85 -1.35 119.26 117.72 1nmr h ALA 16 Ca 0.13 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.00 1nmr h ALA 16 Cb 1.33 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.12 1nmr h ALA 16 CO 0.23 0.05 -0.02 0.09 0.00 0.00 0.00 179.25 179.60 1nmr n ASN 17 N -3.28 0.75 -3.46 0.00 4.13 -1.26 -4.25 115.26 107.90 1nmr n ASN 17 Ca -0.01 -1.15 -0.35 0.00 1.68 0.00 0.00 54.58 54.75 1nmr n ASN 17 Cb 0.20 -0.01 -0.02 0.00 -1.54 0.00 0.00 39.78 38.41 1nmr n ASN 17 CO 0.00 0.00 0.00 0.18 0.28 0.00 0.00 177.26 177.72 1nmr n LEU 18 N -0.47 5.64 -0.09 3.41 4.32 -0.51 -4.79 117.00 124.52 1nmr n LEU 18 Ca 0.20 -5.46 -0.17 0.00 -0.02 0.00 0.00 56.01 50.57 1nmr n LEU 18 Cb 0.25 -0.91 -0.10 0.00 -1.62 0.00 0.00 43.42 41.03 1nmr n LEU 18 CO 0.18 2.08 -0.21 0.74 -1.22 0.00 0.00 177.39 178.97 1nmr h THR 19 N 2.86 1.04 0.00 -5.08 2.02 -1.79 -3.10 112.91 108.87 1nmr h THR 19 Ca 0.28 -2.05 -0.04 0.00 0.77 0.00 0.00 66.41 65.37 1nmr h THR 19 Cb 0.50 2.24 -0.01 0.00 -1.74 0.00 0.00 68.15 69.14 1nmr h THR 19 CO 1.04 0.35 -0.21 1.55 0.37 0.00 0.00 175.52 178.62 1nmr h PRO 20 N -1.00 0.00 0.12 6.66 0.13 -1.96 0.18 132.00 136.13 1nmr h PRO 20 Ca -0.19 0.00 -0.17 0.00 -0.87 0.00 0.00 66.00 64.77 1nmr h PRO 20 Cb 1.07 0.00 0.02 0.00 0.13 0.00 0.00 31.00 32.21 1nmr h PRO 20 CO -0.12 0.21 -0.75 1.49 -0.23 0.00 0.00 178.00 178.60 1nmr h GLU 21 N 0.00 0.25 -0.01 0.86 4.81 -1.92 -2.85 114.58 115.72 1nmr h GLU 21 Ca -0.00 -0.43 -0.01 0.00 -0.13 0.00 0.00 59.36 58.78 1nmr h GLU 21 Cb 0.63 0.16 0.00 0.00 0.63 0.00 0.00 28.75 30.17 1nmr h GLU 21 CO 0.03 1.21 -0.05 1.96 -0.73 0.00 0.00 179.01 181.43 1nmr h GLN 22 N -0.46 0.05 0.01 1.92 1.08 -1.51 -3.09 115.11 113.10 1nmr h GLN 22 Ca -0.14 -0.04 0.02 0.00 -1.45 0.00 0.00 58.65 57.04 1nmr h GLN 22 Cb 1.56 0.01 -0.03 0.00 -0.05 0.00 0.00 27.48 28.97 1nmr h GLN 22 CO 0.12 0.70 -0.13 0.37 -0.95 0.00 0.00 178.83 178.94 1nmr h GLN 23 N -0.59 -0.22 -0.49 1.46 4.15 -1.13 -1.10 115.11 117.20 1nmr h GLN 23 Ca -0.00 0.01 0.14 0.00 0.77 0.00 0.00 58.65 59.57 1nmr h GLN 23 Cb 0.70 0.05 -0.02 0.00 0.21 0.00 0.00 27.48 28.42 1nmr h GLN 23 CO 0.01 -0.14 0.43 0.87 -1.93 0.00 0.00 178.83 178.06 1nmr h LYS 24 N -0.22 0.00 0.17 1.69 1.79 -1.61 -1.80 116.57 116.59 1nmr h LYS 24 Ca 0.04 0.00 -0.01 0.00 -2.18 0.00 0.00 60.65 58.50 1nmr h LYS 24 Cb 0.28 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.93 1nmr h LYS 24 CO -0.12 0.00 -0.08 -0.91 -1.08 0.00 0.00 179.45 177.26 1nmr h ASN 25 N 0.00 -0.19 -0.73 0.86 4.21 -1.12 -2.84 115.58 115.76 1nmr h ASN 25 Ca 0.23 -0.34 0.07 0.00 1.21 0.00 0.00 56.30 57.47 1nmr h ASN 25 Cb 1.08 0.05 -0.06 0.00 -1.12 0.00 0.00 38.32 38.27 1nmr h ASN 25 CO -0.00 0.30 0.42 1.62 -1.29 0.00 0.00 177.43 178.48 1nmr h VAL 26 N -0.77 0.97 0.05 2.81 3.04 -0.95 -1.62 116.25 119.79 1nmr h VAL 26 Ca -0.02 -0.26 0.02 0.00 -1.01 0.00 0.00 66.70 65.43 1nmr h VAL 26 Cb 0.52 0.14 -0.04 0.00 -2.01 0.00 0.00 31.29 29.91 1nmr h VAL 26 CO 0.04 0.14 -0.24 -0.07 -1.01 0.00 0.00 177.57 176.43 1nmr h LEU 27 N 0.76 -0.70 -0.35 3.16 -0.00 -1.47 0.30 115.31 117.01 1nmr h LEU 27 Ca 0.33 0.09 0.00 0.00 -0.00 0.00 0.00 57.88 58.30 1nmr h LEU 27 Cb 0.22 0.28 -0.02 0.00 -0.00 0.00 0.00 40.66 41.14 1nmr h LEU 27 CO -0.20 -0.32 0.22 1.23 -0.00 0.00 0.00 178.44 179.38 1nmr h GLY 28 N -0.40 0.50 0.83 0.83 0.00 -1.20 0.92 103.07 104.54 1nmr h GLY 28 Ca 0.05 -0.19 -0.00 0.00 0.00 0.00 0.00 47.33 47.18 1nmr h GLY 28 CO -0.18 0.19 -0.05 0.83 0.00 0.00 0.00 176.54 177.33 1nmr h GLU 29 N 0.47 -0.12 0.00 4.80 4.39 -1.11 -1.90 114.58 121.10 1nmr h GLU 29 Ca 0.13 0.01 0.00 0.00 0.34 0.00 0.00 59.36 59.84 1nmr h GLU 29 Cb -0.03 0.03 0.00 0.00 -0.10 0.00 0.00 28.75 28.65 1nmr h GLU 29 CO -0.03 0.07 0.00 0.54 -1.16 0.00 0.00 179.01 178.43 1nmr n ARG 30 N -5.07 0.17 0.03 2.33 5.12 0.10 -3.14 116.66 116.21 1nmr n ARG 30 Ca -0.08 0.40 -0.03 0.00 -1.93 0.00 0.00 57.85 56.21 1nmr n ARG 30 Cb 0.15 -1.82 -0.01 0.00 -1.16 0.00 0.00 32.46 29.61 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 -0.15 -1.64 0.55 5.85 0.15 -3.14 115.31 116.92 1nmr h LEU 31 Ca 0.00 0.01 0.26 0.00 0.84 0.00 0.00 57.88 58.98 1nmr h LEU 31 Cb 0.34 0.04 -0.07 0.00 0.37 0.00 0.00 40.66 41.35 1nmr h LEU 31 CO 0.00 0.26 0.67 0.22 -0.34 0.00 0.00 178.44 179.25 1nmr h TYR 32 N -0.93 0.38 -0.45 1.25 5.03 -1.39 0.10 116.97 120.97 1nmr h TYR 32 Ca -0.02 0.01 -0.12 0.00 2.58 0.00 0.00 58.73 61.19 1nmr h TYR 32 Cb 0.14 -0.11 -0.01 0.00 1.55 0.00 0.00 36.73 38.29 1nmr h TYR 32 CO 0.00 0.06 -0.19 -0.97 -1.32 0.00 0.00 178.16 175.74 1nmr h ASN 33 N 0.25 0.89 -0.61 -2.11 -1.24 -1.64 1.92 115.58 113.05 1nmr h ASN 33 Ca 0.51 -0.32 -0.04 0.00 0.71 0.00 0.00 56.30 57.17 1nmr h ASN 33 Cb 1.56 -0.24 -0.03 0.00 0.73 0.00 0.00 38.32 40.34 1nmr h ASN 33 CO -0.15 1.06 0.22 1.12 -1.29 0.00 0.00 177.43 178.40 1nmr h HIS 34 N 0.77 0.94 0.00 0.67 2.07 -0.75 -3.20 115.15 115.65 1nmr h HIS 34 Ca 0.11 -0.08 0.00 0.00 -2.85 0.00 0.00 60.37 57.55 1nmr h HIS 34 Cb 0.73 -0.28 0.00 0.00 2.57 0.00 0.00 27.41 30.43 1nmr h HIS 34 CO 0.04 0.76 -1.38 1.51 -3.07 0.00 0.00 177.93 175.79 1nmr n ILE 35 N -4.43 0.14 0.09 6.12 3.06 -1.05 -4.08 119.36 119.21 1nmr n ILE 35 Ca 0.04 -0.35 -0.13 0.00 -2.50 0.00 0.00 62.75 59.81 1nmr n ILE 35 Cb 0.18 0.17 -0.07 0.00 0.54 0.00 0.00 39.64 40.46 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 0.83 0.00 9.51 3.04 0.31 1.54 116.25 131.47 1nmr h VAL 36 Ca 0.00 0.00 -0.07 0.00 -1.01 0.00 0.00 66.70 65.62 1nmr h VAL 36 Cb 0.83 0.83 -0.01 0.00 -2.01 0.00 0.00 31.29 30.94 1nmr h VAL 36 CO 0.00 0.00 -0.35 0.00 -1.01 0.00 0.00 177.57 176.21 1nmr h ALA 37 N 0.71 0.95 0.00 3.17 0.00 -1.79 -3.00 119.26 119.30 1nmr h ALA 37 Ca -0.00 -0.31 0.00 0.00 0.00 0.00 0.00 54.91 54.59 1nmr h ALA 37 Cb 0.16 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.90 1nmr h ALA 37 CO -0.01 0.43 -0.07 0.82 0.00 0.00 0.00 179.25 180.43 1nmr h ILE 38 N 0.00 0.00 -2.90 0.00 1.08 -1.58 -3.44 117.51 110.67 1nmr h ILE 38 Ca -0.00 -0.22 -0.61 0.00 -0.39 0.00 0.00 64.86 63.63 1nmr h ILE 38 Cb 0.94 0.00 -0.41 0.00 -3.07 0.00 0.00 36.82 34.27 1nmr h ILE 38 CO 0.04 0.00 -0.64 -3.20 -0.69 0.00 0.00 178.15 173.67 1nmr n ASN 39 N -2.71 2.55 -0.16 1.72 5.15 0.52 -4.96 115.26 117.37 1nmr n ASN 39 Ca -0.01 -3.11 -0.02 0.00 -0.60 0.00 0.00 54.58 50.85 1nmr n ASN 39 Cb 0.04 -0.72 0.07 0.00 -0.53 0.00 0.00 39.78 38.63 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 5.30 0.15 -2.08 1.20 0.11 -1.38 -2.09 132.00 133.21 1nmr h PRO 40 Ca 0.17 -0.01 -0.09 0.00 0.11 0.00 0.00 66.00 66.18 1nmr h PRO 40 Cb 0.77 -0.03 -0.03 0.00 0.11 0.00 0.00 31.00 31.81 1nmr h PRO 40 CO 0.67 0.10 -0.14 0.00 -0.21 0.00 0.00 178.00 178.43 1nmr n ALA 41 N -2.63 4.68 0.00 -0.75 0.00 -1.26 -3.11 120.51 117.44 1nmr n ALA 41 Ca 0.06 -0.83 0.00 0.00 0.00 0.00 0.00 53.44 52.67 1nmr n ALA 41 Cb 0.27 -1.76 0.00 0.00 0.00 0.00 0.00 19.45 17.96 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 2.10 0.06 -0.29 0.00 0.00 -0.85 -4.91 120.51 116.63 1nmr n ALA 42 Ca 0.19 0.00 0.04 0.00 0.00 0.00 0.00 53.44 53.68 1nmr n ALA 42 Cb 0.62 0.00 0.10 0.00 0.00 0.00 0.00 19.45 20.17 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 -1.81 0.16 -0.32 0.00 0.00 -0.85 0.18 120.51 117.88 1nmr n ALA 43 Ca 0.00 0.87 0.07 0.00 0.00 0.00 0.00 53.44 54.38 1nmr n ALA 43 Cb 0.00 -0.51 0.22 0.00 0.00 0.00 0.00 19.45 19.17 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 1.54 1.35 0.00 0.00 0.00 -1.89 0.89 119.26 121.16 1nmr h ALA 44 Ca 0.37 0.06 -0.06 0.00 0.00 0.00 0.00 54.91 55.28 1nmr h ALA 44 Cb 0.57 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.27 1nmr h ALA 44 CO -0.82 0.04 -0.24 0.87 0.00 0.00 0.00 179.25 179.10 1nmr h LYS 45 N 0.77 0.16 0.45 0.00 1.79 0.16 -2.76 116.57 117.13 1nmr h LYS 45 Ca 0.47 -0.17 -0.02 0.00 -2.18 0.00 0.00 60.65 58.74 1nmr h LYS 45 Cb 0.57 0.05 0.00 0.00 -1.58 0.00 0.00 32.23 31.27 1nmr h LYS 45 CO -0.31 0.92 -0.21 0.28 -1.08 0.00 0.00 179.45 179.05 1nmr h VAL 46 N -0.54 0.56 -0.01 0.50 2.07 -0.03 0.49 116.25 119.28 1nmr h VAL 46 Ca -0.03 -0.14 0.02 0.00 0.82 0.00 0.00 66.70 67.37 1nmr h VAL 46 Cb 1.01 0.62 -0.03 0.00 -1.52 0.00 0.00 31.29 31.38 1nmr h VAL 46 CO 0.05 0.03 -0.13 0.74 0.02 0.00 0.00 177.57 178.28 1nmr h THR 47 N -0.68 0.68 0.26 2.57 2.02 0.65 1.62 112.91 120.03 1nmr h THR 47 Ca -0.06 0.00 -0.01 0.00 0.77 0.00 0.00 66.41 67.11 1nmr h THR 47 Cb 0.50 0.68 0.00 0.00 -1.74 0.00 0.00 68.15 67.60 1nmr h THR 47 CO 0.10 0.00 -0.13 1.23 0.37 0.00 0.00 175.52 177.10 1nmr h GLY 48 N -0.21 -0.37 0.71 2.16 0.00 -1.50 -3.34 103.07 100.53 1nmr h GLY 48 Ca 0.05 0.14 -0.00 0.00 0.00 0.00 0.00 47.33 47.51 1nmr h GLY 48 CO -0.13 -0.13 -0.03 -0.33 0.00 0.00 0.00 176.54 175.91 1nmr h MET 49 N -0.87 -0.09 0.00 4.80 2.07 -0.05 -3.41 114.93 117.38 1nmr h MET 49 Ca -0.04 0.01 0.00 0.00 -2.07 0.00 0.00 59.70 57.60 1nmr h MET 49 Cb 0.51 0.02 0.00 0.00 -1.87 0.00 0.00 31.60 30.26 1nmr h MET 49 CO 0.06 0.20 0.00 -0.11 1.07 0.00 0.00 176.91 178.13 1nmr n LEU 50 N -5.00 0.00 -3.41 1.22 7.94 0.55 -3.25 117.00 115.05 1nmr n LEU 50 Ca -0.08 0.00 -0.33 0.00 -1.11 0.00 0.00 56.01 54.49 1nmr n LEU 50 Cb 0.18 0.00 -0.04 0.00 0.53 0.00 0.00 43.42 44.09 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 4.11 -4.96 -1.96 4.32 -1.26 -3.73 117.00 113.51 1nmr n LEU 51 Ca 0.00 -2.75 -0.25 0.00 -0.02 0.00 0.00 56.01 52.99 1nmr n LEU 51 Cb 0.00 -1.05 0.11 0.00 -1.62 0.00 0.00 43.42 40.86 1nmr n LEU 51 CO 0.00 -0.08 0.62 -1.61 -1.22 0.00 0.00 177.39 175.10 1nmr s GLU 52 N 4.45 1.64 0.03 3.23 0.41 -1.20 -4.88 118.70 122.39 1nmr s GLU 52 Ca 0.48 -0.74 -0.29 0.00 -0.41 0.00 0.00 54.97 54.01 1nmr s GLU 52 Cb 0.12 -2.20 -0.16 0.00 -1.78 0.00 0.00 34.13 30.11 1nmr s GLU 52 CO 0.06 -1.55 1.28 0.52 -0.49 0.00 0.00 175.26 175.09 1nmr h MET 53 N -0.73 -0.99 0.00 1.61 2.86 -1.95 -3.08 114.93 112.65 1nmr h MET 53 Ca -0.40 0.07 0.00 0.00 -2.06 0.00 0.00 59.70 57.30 1nmr h MET 53 Cb 1.27 0.23 0.00 0.00 0.06 0.00 0.00 31.60 33.16 1nmr h MET 53 CO 0.45 -0.66 0.00 -3.47 1.06 0.00 0.00 176.91 174.29 1nmr n ASP 54 N -5.13 0.00 -0.41 1.22 2.03 -1.26 -3.74 116.55 109.26 1nmr n ASP 54 Ca -0.13 0.12 0.39 0.00 0.52 0.00 0.00 54.79 55.69 1nmr n ASP 54 Cb 0.41 -0.37 0.76 0.00 -0.72 0.00 0.00 41.12 41.20 1nmr n ASP 54 CO 0.00 0.00 0.00 -1.13 -1.92 0.00 0.00 177.20 174.15 1nmr h ASN 55 N 0.00 0.00 0.51 1.67 -1.24 -1.92 -0.73 115.58 113.86 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 -0.24 1.23 -1.29 0.00 0.00 177.43 177.13 1nmr h GLY 56 N 0.00 -0.71 -0.84 1.57 0.00 -1.62 -3.20 103.07 98.27 1nmr h GLY 56 Ca 0.65 0.26 0.15 0.00 0.00 0.00 0.00 47.33 48.40 1nmr h GLY 56 CO -0.01 -0.26 -0.25 1.18 0.00 0.00 0.00 176.54 177.21 1nmr n GLU 57 N -5.26 -0.12 -0.21 4.80 -0.58 -0.28 0.14 120.64 119.14 1nmr n GLU 57 Ca -0.10 1.30 0.00 0.00 -0.42 0.00 0.00 57.16 57.94 1nmr n GLU 57 Cb 0.31 -1.94 0.12 0.00 -0.57 0.00 0.00 31.44 29.36 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 0.79 -1.46 -3.67 2.04 -1.62 -1.68 117.51 111.92 1nmr h ILE 58 Ca 0.37 -0.16 0.49 0.00 1.00 0.00 0.00 64.86 66.56 1nmr h ILE 58 Cb 0.57 0.29 -0.13 0.00 -0.74 0.00 0.00 36.82 36.82 1nmr h ILE 58 CO -0.85 0.08 0.95 0.17 0.00 0.00 0.00 178.15 178.50 1nmr h LEU 59 N 0.45 0.17 -1.47 1.44 8.10 0.13 0.48 115.31 124.62 1nmr h LEU 59 Ca 0.32 0.14 0.10 0.00 0.11 0.00 0.00 57.88 58.55 1nmr h LEU 59 Cb 0.38 0.14 -0.01 0.00 -0.44 0.00 0.00 40.66 40.73 1nmr h LEU 59 CO -0.30 -0.23 0.67 -1.13 -4.11 0.00 0.00 178.44 173.34 1nmr h ASN 60 N 0.01 0.00 -1.82 0.17 -0.73 -1.31 -0.88 115.58 111.01 1nmr h ASN 60 Ca 0.89 0.00 -0.60 0.00 1.87 0.00 0.00 56.30 58.46 1nmr h ASN 60 Cb 2.96 0.00 -0.41 0.00 0.27 0.00 0.00 38.32 41.13 1nmr h ASN 60 CO -0.42 0.00 -0.64 0.18 -0.37 0.00 0.00 177.43 176.19 1nmr n LEU 61 N -3.18 4.73 -2.00 0.34 4.32 0.17 -5.04 117.00 116.34 1nmr n LEU 61 Ca 0.07 -5.39 -0.10 0.00 -0.02 0.00 0.00 56.01 50.57 1nmr n LEU 61 Cb 0.81 -0.52 -0.10 0.00 -1.62 0.00 0.00 43.42 41.99 1nmr n LEU 61 CO 0.18 2.27 0.93 0.18 -1.22 0.00 0.00 177.39 179.74 1nmr n LEU 62 N -0.39 -0.62 -4.78 2.23 4.77 -0.34 -4.82 117.00 113.05 1nmr n LEU 62 Ca 0.37 -0.23 -0.24 0.00 -0.03 0.00 0.00 56.01 55.87 1nmr n LEU 62 Cb 0.55 -0.24 -0.06 0.00 -2.33 0.00 0.00 43.42 41.33 1nmr n LEU 62 CO 0.34 -0.63 -0.12 -1.81 -1.33 0.00 0.00 177.39 173.85 1nmr s ASP 63 N 0.18 4.54 -0.06 -1.43 1.11 -1.26 -4.99 116.67 114.76 1nmr s ASP 63 Ca 0.59 -1.06 -0.19 0.00 0.18 0.00 0.00 52.55 52.07 1nmr s ASP 63 Cb -0.39 -0.39 -0.15 0.00 1.07 0.00 0.00 42.92 43.07 1nmr s ASP 63 CO 0.25 -0.62 0.76 0.74 1.18 0.00 0.00 175.17 177.48 1nmr h THR 64 N 1.30 0.80 0.13 -1.27 2.02 -1.98 -3.07 112.91 110.84 1nmr h THR 64 Ca -0.42 -1.20 -0.01 0.00 0.77 0.00 0.00 66.41 65.55 1nmr h THR 64 Cb 1.26 1.38 0.00 0.00 -1.74 0.00 0.00 68.15 69.05 1nmr h THR 64 CO 0.67 0.22 -0.06 1.55 0.37 0.00 0.00 175.52 178.27 1nmr h PRO 65 N -0.91 -0.16 -0.15 6.66 0.13 -1.98 -2.80 132.00 132.80 1nmr h PRO 65 Ca -0.02 0.01 0.02 0.00 -0.87 0.00 0.00 66.00 65.14 1nmr h PRO 65 Cb 0.51 0.04 -0.04 0.00 0.13 0.00 0.00 31.00 31.64 1nmr h PRO 65 CO 0.03 -0.11 -0.26 0.78 -0.23 0.00 0.00 178.00 178.21 1nmr h GLY 66 N -0.28 -1.46 0.00 1.56 0.00 -1.95 0.28 103.07 101.21 1nmr h GLY 66 Ca -0.02 0.75 0.00 0.00 0.00 0.00 0.00 47.33 48.06 1nmr h GLY 66 CO 0.03 -0.44 0.00 -0.10 0.00 0.00 0.00 176.54 176.03 1nmr n LEU 67 N -3.95 0.00 -0.28 3.11 -0.00 -1.16 0.82 117.00 115.54 1nmr n LEU 67 Ca -0.02 0.93 0.04 0.00 -0.00 0.00 0.00 56.01 56.96 1nmr n LEU 67 Cb 0.17 -0.43 0.13 0.00 -0.00 0.00 0.00 43.42 43.29 1nmr n LEU 67 CO 0.01 -0.43 0.74 -0.07 -0.00 0.00 0.00 177.39 177.64 1nmr h LEU 68 N 0.00 -0.63 0.23 -1.96 4.07 -1.47 0.91 115.31 116.45 1nmr h LEU 68 Ca 0.00 0.23 -0.01 0.00 0.08 0.00 0.00 57.88 58.18 1nmr h LEU 68 Cb 0.00 0.46 0.00 0.00 1.08 0.00 0.00 40.66 42.20 1nmr h LEU 68 CO 0.00 -0.25 -0.11 -0.78 -1.08 0.00 0.00 178.44 176.22 1nmr h ASP 69 N 0.02 -0.26 0.24 -0.43 1.82 -0.18 -1.94 116.42 115.70 1nmr h ASP 69 Ca 0.41 -0.02 0.00 0.00 -0.39 0.00 0.00 57.03 57.03 1nmr h ASP 69 Cb 0.67 0.07 0.00 0.00 0.68 0.00 0.00 39.33 40.75 1nmr h ASP 69 CO -0.80 -0.15 0.00 0.00 -1.61 0.00 0.00 179.24 176.68 1nmr n ALA 70 N -2.24 1.91 0.00 -0.78 0.00 0.24 -2.87 120.51 116.77 1nmr n ALA 70 Ca -0.09 -0.08 -0.09 0.00 0.00 0.00 0.00 53.44 53.18 1nmr n ALA 70 Cb 0.16 -1.26 -0.07 0.00 0.00 0.00 0.00 19.45 18.28 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 -0.12 0.02 0.00 1.79 0.16 -3.21 116.57 115.20 1nmr h LYS 71 Ca 0.00 0.01 -0.16 0.00 -2.18 0.00 0.00 60.65 58.32 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 0.32 -0.64 -0.39 -1.08 0.00 0.00 179.45 177.66 1nmr h VAL 72 N -0.95 1.43 -0.04 0.50 -1.51 -1.57 -2.91 116.25 111.21 1nmr h VAL 72 Ca -0.01 -2.14 0.04 0.00 -1.23 0.00 0.00 66.70 63.36 1nmr h VAL 72 Cb 0.49 2.67 -0.05 0.00 -2.13 0.00 0.00 31.29 32.27 1nmr h VAL 72 CO 0.02 0.62 -0.33 1.56 -1.23 0.00 0.00 177.57 178.21 1nmr h GLN 73 N -0.13 -0.44 -0.41 5.19 1.08 -1.71 0.89 115.11 119.57 1nmr h GLN 73 Ca -0.08 0.03 -0.02 0.00 -1.45 0.00 0.00 58.65 57.13 1nmr h GLN 73 Cb 1.36 0.10 -0.02 0.00 -0.05 0.00 0.00 27.48 28.87 1nmr h GLN 73 CO 0.12 -0.29 0.19 1.49 -0.95 0.00 0.00 178.83 179.39 1nmr h GLU 74 N -0.46 0.60 -0.12 1.46 4.81 -1.69 0.66 114.58 119.84 1nmr h GLU 74 Ca 0.07 -0.09 -0.07 0.00 -0.13 0.00 0.00 59.36 59.13 1nmr h GLU 74 Cb 0.56 -0.11 -0.01 0.00 0.63 0.00 0.00 28.75 29.83 1nmr h GLU 74 CO -0.30 0.54 -0.25 0.00 -0.73 0.00 0.00 179.01 178.27 1nmr h ALA 75 N 1.04 1.35 0.04 2.92 0.00 -1.25 -1.53 119.26 121.82 1nmr h ALA 75 Ca 0.14 -0.29 -0.25 0.00 0.00 0.00 0.00 54.91 54.51 1nmr h ALA 75 Cb 0.14 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 17.82 1nmr h ALA 75 CO -0.02 0.45 -1.28 -0.07 0.00 0.00 0.00 179.25 178.33 1nmr h LEU 76 N 0.20 0.12 -0.14 0.00 3.38 0.12 -3.23 115.31 115.76 1nmr h LEU 76 Ca 0.03 -0.15 -0.02 0.00 0.09 0.00 0.00 57.88 57.83 1nmr h LEU 76 Cb 0.56 -0.04 -0.01 0.00 0.09 0.00 0.00 40.66 41.26 1nmr h LEU 76 CO 0.04 1.13 0.01 -0.08 0.09 0.00 0.00 178.44 179.62 1nmr h GLU 77 N 0.02 0.25 -0.50 1.13 4.81 0.59 -2.71 114.58 118.17 1nmr h GLU 77 Ca -0.13 -0.08 0.06 0.00 -0.13 0.00 0.00 59.36 59.09 1nmr h GLU 77 Cb 1.89 -0.02 -0.03 0.00 0.63 0.00 0.00 28.75 31.22 1nmr h GLU 77 CO 0.13 0.47 0.34 -0.24 -0.73 0.00 0.00 179.01 178.98 1nmr h VAL 78 N -0.01 0.97 0.74 0.32 3.04 -1.40 0.66 116.25 120.58 1nmr h VAL 78 Ca 0.04 -0.15 -0.04 0.00 -1.01 0.00 0.00 66.70 65.55 1nmr h VAL 78 Cb 0.35 0.50 0.01 0.00 -2.01 0.00 0.00 31.29 30.14 1nmr h VAL 78 CO 0.01 0.08 -0.36 0.25 -1.01 0.00 0.00 177.57 176.54 1nmr h LEU 79 N 0.43 -0.84 -0.49 3.16 5.85 -1.52 -2.85 115.31 119.05 1nmr h LEU 79 Ca 0.22 0.03 0.00 0.00 0.84 0.00 0.00 57.88 58.97 1nmr h LEU 79 Cb 0.32 0.22 0.00 0.00 0.37 0.00 0.00 40.66 41.56 1nmr h LEU 79 CO -0.06 -0.53 0.00 0.59 -0.34 0.00 0.00 178.44 178.11 1nmr n ASN 80 N -5.12 0.58 -0.51 1.25 3.02 -1.04 -3.99 115.26 109.45 1nmr n ASN 80 Ca -0.12 -2.02 0.00 0.00 -0.03 0.00 0.00 54.58 52.41 1nmr n ASN 80 Cb 0.39 -0.19 0.00 0.00 -0.61 0.00 0.00 39.78 39.37 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 -0.24 0.86 -0.03 3.52 5.12 0.23 -3.71 116.66 122.41 1nmr n ARG 81 Ca 0.01 0.00 -0.15 0.00 -1.93 0.00 0.00 57.85 55.78 1nmr n ARG 81 Cb 0.13 -1.42 -0.09 0.00 -1.16 0.00 0.00 32.46 29.91 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 0.14 0.48 -3.97 -1.55 3.86 -1.80 -3.45 115.15 108.86 1nmr h HIS 82 Ca 0.00 -0.21 -0.47 0.00 -1.16 0.00 0.00 60.37 58.53 1nmr h HIS 82 Cb 0.44 -0.08 0.01 0.00 1.06 0.00 0.00 27.41 28.84 1nmr h HIS 82 CO 0.00 0.95 0.39 -1.64 0.86 0.00 0.00 177.93 178.48 1nmr s MET 83 N -3.67 4.21 0.08 2.45 1.00 -1.24 -4.97 119.30 117.16 1nmr s MET 83 Ca -0.14 1.40 0.11 0.00 0.00 0.00 0.00 55.69 57.06 1nmr s MET 83 Cb 0.04 -2.49 -0.17 0.00 0.00 0.00 0.00 34.83 32.21 1nmr s MET 83 CO 0.78 -0.08 1.07 -0.97 0.00 0.00 0.00 175.02 175.82 1nmr h ASN 84 N 2.43 0.00 -0.03 3.03 -1.24 -1.94 -3.52 115.58 114.32 1nmr h ASN 84 Ca -0.48 0.00 0.00 0.00 0.71 0.00 0.00 56.30 56.53 1nmr h ASN 84 Cb 1.21 0.00 0.00 0.00 0.73 0.00 0.00 38.32 40.26 1nmr h ASN 84 CO 0.62 0.89 0.00 0.52 -1.29 0.00 0.00 177.43 178.18