#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 -1.28 0.04 1.61 7.64 -1.26 -4.97 113.62 115.40 1nmr n SER 2 Ca 0.00 -1.91 0.05 0.00 1.01 0.00 0.00 58.87 58.01 1nmr n SER 2 Cb 0.00 0.81 0.21 0.00 -1.01 0.00 0.00 64.21 64.22 1nmr n SER 2 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 1nmr n SER 3 N -0.65 0.14 -0.91 6.43 2.88 -1.26 -1.90 113.62 118.36 1nmr n SER 3 Ca -0.14 0.56 0.01 0.00 -1.33 0.00 0.00 58.87 57.96 1nmr n SER 3 Cb 0.73 -0.58 0.09 0.00 -0.75 0.00 0.00 64.21 63.71 1nmr n SER 3 CO 0.00 0.00 0.00 0.18 -1.23 0.00 0.00 175.04 173.99 1nmr n LEU 4 N -1.68 2.41 -0.40 2.46 7.99 -1.26 -3.93 117.00 122.59 1nmr n LEU 4 Ca 0.01 -1.22 0.08 0.00 -0.01 0.00 0.00 56.01 54.87 1nmr n LEU 4 Cb 0.07 -0.55 0.34 0.00 -0.11 0.00 0.00 43.42 43.17 1nmr n LEU 4 CO 0.07 0.38 0.74 0.00 -1.51 0.00 0.00 177.39 177.07 1nmr n ALA 5 N 0.15 2.52 -2.62 -1.18 0.00 -0.80 -4.47 120.51 114.11 1nmr n ALA 5 Ca 0.08 -0.40 -0.42 0.00 0.00 0.00 0.00 53.44 52.69 1nmr n ALA 5 Cb 0.53 -1.11 0.01 0.00 0.00 0.00 0.00 19.45 18.88 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 0.04 6.29 -4.64 0.00 7.64 -1.25 -4.99 113.62 116.70 1nmr n SER 6 Ca 0.13 -3.32 -0.43 0.00 1.01 0.00 0.00 58.87 56.27 1nmr n SER 6 Cb 0.24 -1.34 -0.03 0.00 -1.01 0.00 0.00 64.21 62.07 1nmr n SER 6 CO 0.00 0.00 0.00 -1.10 -3.01 0.00 0.00 175.04 170.93 1nmr s GLN 7 N -1.77 3.98 0.00 1.43 -0.21 -1.26 -4.98 119.66 116.84 1nmr s GLN 7 Ca 0.37 1.85 0.00 0.00 0.02 0.00 0.00 55.36 57.60 1nmr s GLN 7 Cb 0.10 -3.99 0.00 0.00 1.00 0.00 0.00 33.01 30.12 1nmr s GLN 7 CO 0.02 -1.07 0.00 0.41 -2.12 0.00 0.00 175.29 172.53 1nmr n GLY 8 N 4.35 2.34 0.11 3.09 0.00 -1.26 -5.03 105.19 108.78 1nmr n GLY 8 Ca 0.18 -1.80 -0.12 0.00 0.00 0.00 0.00 46.02 44.27 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 0.68 0.17 1.61 10.64 -1.26 -3.93 117.38 125.29 1nmr n GLN 9 Ca 0.00 0.09 0.02 0.00 -1.83 0.00 0.00 57.00 55.28 1nmr n GLN 9 Cb 0.00 -1.58 0.34 0.00 -0.86 0.00 0.00 30.24 28.15 1nmr n GLN 9 CO 0.00 0.00 0.00 -0.91 -1.83 0.00 0.00 177.06 174.32 1nmr h ASN 10 N 0.00 0.04 0.40 2.61 2.35 -2.00 -2.61 115.58 116.38 1nmr h ASN 10 Ca -0.51 -0.01 -0.25 0.00 -0.55 0.00 0.00 56.30 54.98 1nmr h ASN 10 Cb 2.12 -0.01 0.01 0.00 0.05 0.00 0.00 38.32 40.48 1nmr h ASN 10 CO 0.01 0.41 -1.07 -0.07 -1.65 0.00 0.00 177.43 175.06 1nmr h LEU 11 N 0.03 0.54 -1.53 1.61 3.38 -1.97 -3.08 115.31 114.29 1nmr h LEU 11 Ca 0.00 -0.49 -0.04 0.00 0.09 0.00 0.00 57.88 57.44 1nmr h LEU 11 Cb 0.67 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 41.25 1nmr h LEU 11 CO 0.05 1.31 -0.20 -1.28 0.09 0.00 0.00 178.44 178.41 1nmr h SER 12 N 0.19 0.00 -0.06 -0.43 0.87 -1.63 0.17 113.55 112.65 1nmr h SER 12 Ca -0.11 0.00 -0.15 0.00 -1.23 0.00 0.00 61.79 60.30 1nmr h SER 12 Cb 1.74 0.00 0.01 0.00 -0.44 0.00 0.00 62.40 63.71 1nmr h SER 12 CO 0.19 0.20 -0.53 0.71 -0.53 0.00 0.00 176.83 176.86 1nmr h THR 13 N 0.00 1.39 0.08 2.23 1.35 -1.44 -1.36 112.91 115.15 1nmr h THR 13 Ca -0.00 -1.91 -0.28 0.00 -0.55 0.00 0.00 66.41 63.66 1nmr h THR 13 Cb 0.54 2.34 0.03 0.00 -1.73 0.00 0.00 68.15 69.33 1nmr h THR 13 CO 0.03 0.57 -1.15 1.62 -0.25 0.00 0.00 175.52 176.34 1nmr h VAL 14 N 0.03 1.29 -0.29 6.82 3.04 -1.43 -3.19 116.25 122.53 1nmr h VAL 14 Ca -0.05 -2.37 0.00 0.00 -1.01 0.00 0.00 66.70 63.27 1nmr h VAL 14 Cb 1.20 2.60 0.00 0.00 -2.01 0.00 0.00 31.29 33.08 1nmr h VAL 14 CO 0.11 0.72 0.00 -0.11 -1.01 0.00 0.00 177.57 177.28 1nmr n LEU 15 N -3.84 2.82 0.03 3.16 7.94 0.58 -4.05 117.00 123.64 1nmr n LEU 15 Ca -0.13 -1.43 0.11 0.00 -1.11 0.00 0.00 56.01 53.46 1nmr n LEU 15 Cb 0.94 -0.49 0.48 0.00 0.53 0.00 0.00 43.42 44.88 1nmr n LEU 15 CO 0.57 0.43 0.87 0.00 -1.11 0.00 0.00 177.39 178.15 1nmr n ALA 16 N 0.35 2.05 0.43 1.96 0.00 -0.51 -3.02 120.51 121.76 1nmr n ALA 16 Ca 0.12 -0.06 0.02 0.00 0.00 0.00 0.00 53.44 53.53 1nmr n ALA 16 Cb 0.58 -1.39 0.13 0.00 0.00 0.00 0.00 19.45 18.78 1nmr n ALA 16 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1nmr n ASN 17 N -1.67 2.49 -3.18 0.00 3.02 -1.26 -4.33 115.26 110.33 1nmr n ASN 17 Ca 0.05 -2.29 -0.28 0.00 -0.03 0.00 0.00 54.58 52.04 1nmr n ASN 17 Cb 0.29 -0.54 -0.06 0.00 -0.61 0.00 0.00 39.78 38.87 1nmr n ASN 17 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 1nmr n LEU 18 N 0.21 4.27 -0.06 3.41 7.99 -1.17 -4.88 117.00 126.78 1nmr n LEU 18 Ca 0.09 -5.57 -0.03 0.00 -0.01 0.00 0.00 56.01 50.49 1nmr n LEU 18 Cb 0.54 -0.63 -0.02 0.00 -0.11 0.00 0.00 43.42 43.21 1nmr n LEU 18 CO 0.11 2.21 -0.12 0.74 -1.51 0.00 0.00 177.39 178.82 1nmr h THR 19 N 3.05 0.11 0.00 -5.08 2.02 -1.88 -3.20 112.91 107.93 1nmr h THR 19 Ca 0.17 -1.10 0.00 0.00 0.77 0.00 0.00 66.41 66.25 1nmr h THR 19 Cb 0.57 0.23 0.00 0.00 -1.74 0.00 0.00 68.15 67.20 1nmr h THR 19 CO 0.84 0.04 0.00 -0.81 0.37 0.00 0.00 175.52 175.96 1nmr n PRO 20 N -4.70 0.16 -0.00 6.66 -0.04 -1.26 -1.77 135.00 134.05 1nmr n PRO 20 Ca -0.04 0.41 -0.18 0.00 -0.04 0.00 0.00 63.50 63.66 1nmr n PRO 20 Cb 0.14 -1.82 -0.14 0.00 -0.04 0.00 0.00 33.50 31.64 1nmr n PRO 20 CO 0.00 0.00 0.00 1.49 -0.04 0.00 0.00 175.50 176.95 1nmr h GLU 21 N 0.00 0.17 -0.01 0.54 4.81 -1.93 -2.89 114.58 115.28 1nmr h GLU 21 Ca 0.00 -0.29 -0.01 0.00 -0.13 0.00 0.00 59.36 58.93 1nmr h GLU 21 Cb 0.33 0.11 0.00 0.00 0.63 0.00 0.00 28.75 29.81 1nmr h GLU 21 CO 0.00 1.14 -0.04 1.96 -0.73 0.00 0.00 179.01 181.34 1nmr h GLN 22 N -0.64 0.03 0.12 1.92 1.08 -1.53 -2.94 115.11 113.15 1nmr h GLN 22 Ca -0.09 -0.03 0.02 0.00 -1.45 0.00 0.00 58.65 57.10 1nmr h GLN 22 Cb 1.37 0.01 -0.04 0.00 -0.05 0.00 0.00 27.48 28.77 1nmr h GLN 22 CO 0.08 0.72 -0.30 0.37 -0.95 0.00 0.00 178.83 178.75 1nmr h GLN 23 N -0.64 -0.51 -0.18 1.46 5.75 -1.52 0.11 115.11 119.57 1nmr h GLN 23 Ca -0.00 0.03 0.05 0.00 -0.15 0.00 0.00 58.65 58.58 1nmr h GLN 23 Cb 0.73 0.12 -0.01 0.00 1.07 0.00 0.00 27.48 29.39 1nmr h GLN 23 CO 0.01 -0.34 0.26 0.87 -2.65 0.00 0.00 178.83 176.97 1nmr h LYS 24 N -0.53 0.00 0.00 1.69 1.79 -1.62 -1.19 116.57 116.71 1nmr h LYS 24 Ca 0.03 0.00 -0.00 0.00 -2.18 0.00 0.00 60.65 58.50 1nmr h LYS 24 Cb 0.56 0.00 -0.00 0.00 -1.58 0.00 0.00 32.23 31.21 1nmr h LYS 24 CO -0.18 0.00 -0.02 -0.91 -1.08 0.00 0.00 179.45 177.27 1nmr h ASN 25 N 0.00 0.00 -0.61 0.86 4.21 -0.80 -3.15 115.58 116.08 1nmr h ASN 25 Ca 0.09 -0.43 0.08 0.00 1.21 0.00 0.00 56.30 57.25 1nmr h ASN 25 Cb 0.60 0.00 -0.06 0.00 -1.12 0.00 0.00 38.32 37.73 1nmr h ASN 25 CO -0.00 0.72 0.27 1.62 -1.29 0.00 0.00 177.43 178.75 1nmr h VAL 26 N -1.00 0.85 -0.47 2.81 3.04 -0.43 -2.04 116.25 119.01 1nmr h VAL 26 Ca -0.00 -0.17 0.06 0.00 -1.01 0.00 0.00 66.70 65.58 1nmr h VAL 26 Cb 0.44 0.31 -0.05 0.00 -2.01 0.00 0.00 31.29 29.98 1nmr h VAL 26 CO -0.00 0.09 0.17 -0.07 -1.01 0.00 0.00 177.57 176.75 1nmr h LEU 27 N 0.49 0.19 -1.18 3.16 3.38 -1.38 0.71 115.31 120.67 1nmr h LEU 27 Ca 0.29 0.05 0.00 0.00 0.09 0.00 0.00 57.88 58.32 1nmr h LEU 27 Cb 0.30 0.03 -0.04 0.00 0.09 0.00 0.00 40.66 41.04 1nmr h LEU 27 CO -0.25 0.14 0.49 1.23 0.09 0.00 0.00 178.44 180.14 1nmr h GLY 28 N 0.35 1.11 0.45 0.83 0.00 -1.34 0.70 103.07 105.17 1nmr h GLY 28 Ca 0.22 -0.44 -0.00 0.00 0.00 0.00 0.00 47.33 47.11 1nmr h GLY 28 CO -0.22 0.43 -0.01 0.83 0.00 0.00 0.00 176.54 177.57 1nmr h GLU 29 N 1.07 -0.03 0.00 4.80 4.39 -0.94 -2.79 114.58 121.09 1nmr h GLU 29 Ca 0.28 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.98 1nmr h GLU 29 Cb -0.08 0.01 0.00 0.00 -0.10 0.00 0.00 28.75 28.58 1nmr h GLU 29 CO -0.06 0.51 0.00 0.00 -1.16 0.00 0.00 179.01 178.30 1nmr h ARG 30 N -0.58 0.00 0.33 2.33 3.08 -0.67 -3.17 114.38 115.69 1nmr h ARG 30 Ca -0.00 0.00 -0.02 0.00 0.07 0.00 0.00 59.98 60.03 1nmr h ARG 30 Cb 0.55 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.60 1nmr h ARG 30 CO 0.01 0.00 -0.16 1.25 -1.07 0.00 0.00 179.97 180.00 1nmr h LEU 31 N 0.00 -0.37 -1.97 3.04 5.85 0.58 -3.22 115.31 119.22 1nmr h LEU 31 Ca 0.00 0.01 0.34 0.00 0.84 0.00 0.00 57.88 59.07 1nmr h LEU 31 Cb 0.31 0.10 -0.05 0.00 0.37 0.00 0.00 40.66 41.39 1nmr h LEU 31 CO 0.00 0.02 0.86 0.22 -0.34 0.00 0.00 178.44 179.21 1nmr h TYR 32 N -1.01 0.00 -0.35 1.25 5.03 -1.47 0.40 116.97 120.82 1nmr h TYR 32 Ca -0.04 0.00 -0.17 0.00 2.58 0.00 0.00 58.73 61.10 1nmr h TYR 32 Cb 0.33 0.00 -0.00 0.00 1.55 0.00 0.00 36.73 38.61 1nmr h TYR 32 CO 0.01 0.00 -0.44 -0.97 -1.32 0.00 0.00 178.16 175.44 1nmr h ASN 33 N 0.00 0.99 -0.76 -2.11 -1.24 -1.60 1.38 115.58 112.24 1nmr h ASN 33 Ca 0.55 -0.49 -0.05 0.00 0.71 0.00 0.00 56.30 57.02 1nmr h ASN 33 Cb 2.27 -0.28 -0.03 0.00 0.73 0.00 0.00 38.32 41.01 1nmr h ASN 33 CO -0.01 1.28 0.28 1.12 -1.29 0.00 0.00 177.43 178.81 1nmr h HIS 34 N 0.71 1.19 0.00 0.67 2.07 -0.93 -3.20 115.15 115.66 1nmr h HIS 34 Ca 0.04 -0.10 -0.11 0.00 -2.85 0.00 0.00 60.37 57.35 1nmr h HIS 34 Cb 1.04 -0.35 -0.02 0.00 2.57 0.00 0.00 27.41 30.65 1nmr h HIS 34 CO 0.07 0.91 -1.78 1.51 -3.07 0.00 0.00 177.93 175.58 1nmr n ILE 35 N -4.27 0.64 -0.11 6.12 3.06 -1.15 -3.84 119.36 119.81 1nmr n ILE 35 Ca 0.07 -0.62 -0.05 0.00 -2.50 0.00 0.00 62.75 59.64 1nmr n ILE 35 Cb 0.20 -0.31 0.02 0.00 0.54 0.00 0.00 39.64 40.09 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 0.71 0.00 9.51 3.04 0.19 2.44 116.25 132.14 1nmr h VAL 36 Ca -0.14 -0.03 -0.06 0.00 -1.01 0.00 0.00 66.70 65.46 1nmr h VAL 36 Cb 1.37 0.61 -0.01 0.00 -2.01 0.00 0.00 31.29 31.26 1nmr h VAL 36 CO 0.02 0.02 -0.27 0.00 -1.01 0.00 0.00 177.57 176.32 1nmr h ALA 37 N 1.33 0.87 0.00 3.17 0.00 -1.77 -3.02 119.26 119.85 1nmr h ALA 37 Ca 0.18 -0.25 0.00 0.00 0.00 0.00 0.00 54.91 54.85 1nmr h ALA 37 Cb 0.26 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.00 1nmr h ALA 37 CO -0.31 0.34 -0.23 -0.89 0.00 0.00 0.00 179.25 178.15 1nmr n ILE 38 N -3.23 0.61 -3.64 0.00 -0.00 -0.35 -4.80 119.36 107.96 1nmr n ILE 38 Ca 0.02 0.38 -0.27 0.00 -0.00 0.00 0.00 62.75 62.87 1nmr n ILE 38 Cb 0.57 -1.88 -0.10 0.00 -0.00 0.00 0.00 39.64 38.23 1nmr n ILE 38 CO 0.00 0.00 0.00 -3.20 -0.00 0.00 0.00 176.55 173.35 1nmr n ASN 39 N -3.28 2.77 -0.20 4.38 5.15 0.81 -4.94 115.26 119.95 1nmr n ASN 39 Ca -0.03 -3.18 0.24 0.00 -0.60 0.00 0.00 54.58 51.00 1nmr n ASN 39 Cb 0.12 -0.70 0.63 0.00 -0.53 0.00 0.00 39.78 39.30 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 4.88 0.18 -1.77 1.20 0.11 -1.36 -1.66 132.00 133.58 1nmr h PRO 40 Ca 0.17 -0.01 -0.35 0.00 0.11 0.00 0.00 66.00 65.92 1nmr h PRO 40 Cb 0.74 -0.04 -0.14 0.00 0.11 0.00 0.00 31.00 31.68 1nmr h PRO 40 CO 0.71 0.12 0.30 0.00 -0.21 0.00 0.00 178.00 178.92 1nmr n ALA 41 N -2.62 5.64 0.00 -0.75 0.00 -1.26 -3.79 120.51 117.73 1nmr n ALA 41 Ca 0.19 -2.05 0.00 0.00 0.00 0.00 0.00 53.44 51.57 1nmr n ALA 41 Cb 0.83 -1.71 0.00 0.00 0.00 0.00 0.00 19.45 18.56 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 0.83 0.03 -0.32 0.00 0.00 -0.65 -4.93 120.51 115.47 1nmr n ALA 42 Ca 0.36 0.00 -0.04 0.00 0.00 0.00 0.00 53.44 53.76 1nmr n ALA 42 Cb 0.60 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 20.03 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 -1.59 -0.27 -0.30 0.00 0.00 -1.05 0.21 120.51 117.50 1nmr n ALA 43 Ca 0.00 0.74 0.25 0.00 0.00 0.00 0.00 53.44 54.43 1nmr n ALA 43 Cb 0.00 -0.25 0.57 0.00 0.00 0.00 0.00 19.45 19.77 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 0.79 2.44 0.04 0.00 0.00 -1.90 0.67 119.26 121.31 1nmr h ALA 44 Ca 0.21 0.03 -0.25 0.00 0.00 0.00 0.00 54.91 54.90 1nmr h ALA 44 Cb 0.41 0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.21 1nmr h ALA 44 CO -0.77 -0.81 -1.34 0.87 0.00 0.00 0.00 179.25 177.20 1nmr h LYS 45 N 0.29 0.09 -0.50 0.00 1.79 0.20 -3.07 116.57 115.38 1nmr h LYS 45 Ca 0.56 -0.15 0.01 0.00 -2.18 0.00 0.00 60.65 58.88 1nmr h LYS 45 Cb 1.62 0.06 -0.03 0.00 -1.58 0.00 0.00 32.23 32.31 1nmr h LYS 45 CO -0.21 1.07 0.33 0.28 -1.08 0.00 0.00 179.45 179.84 1nmr h VAL 46 N -0.69 1.12 0.20 0.50 2.07 0.13 0.75 116.25 120.34 1nmr h VAL 46 Ca -0.33 -0.23 -0.01 0.00 0.82 0.00 0.00 66.70 66.95 1nmr h VAL 46 Cb 1.50 0.39 0.00 0.00 -1.52 0.00 0.00 31.29 31.66 1nmr h VAL 46 CO -0.10 0.12 -0.09 0.74 0.02 0.00 0.00 177.57 178.26 1nmr h THR 47 N 0.67 0.89 0.06 2.57 2.02 0.13 0.85 112.91 120.10 1nmr h THR 47 Ca 0.18 -0.81 -0.00 0.00 0.77 0.00 0.00 66.41 66.56 1nmr h THR 47 Cb -0.07 1.34 0.00 0.00 -1.74 0.00 0.00 68.15 67.68 1nmr h THR 47 CO -0.04 0.17 -0.03 1.23 0.37 0.00 0.00 175.52 177.22 1nmr h GLY 48 N -0.69 -0.09 0.47 2.16 0.00 -1.48 -3.30 103.07 100.13 1nmr h GLY 48 Ca -0.03 0.03 -0.02 0.00 0.00 0.00 0.00 47.33 47.31 1nmr h GLY 48 CO 0.04 -0.03 -0.08 -0.33 0.00 0.00 0.00 176.54 176.14 1nmr h MET 49 N -0.42 0.10 0.00 4.80 2.07 0.41 -3.41 114.93 118.48 1nmr h MET 49 Ca -0.01 -0.07 0.00 0.00 -2.07 0.00 0.00 59.70 57.55 1nmr h MET 49 Cb 0.37 0.01 0.00 0.00 -1.87 0.00 0.00 31.60 30.11 1nmr h MET 49 CO 0.01 0.70 0.00 -0.11 1.07 0.00 0.00 176.91 178.58 1nmr n LEU 50 N -4.69 0.00 -3.42 1.22 7.94 0.29 -2.76 117.00 115.58 1nmr n LEU 50 Ca -0.09 0.00 -0.33 0.00 -1.11 0.00 0.00 56.01 54.48 1nmr n LEU 50 Cb 0.36 0.00 -0.04 0.00 0.53 0.00 0.00 43.42 44.27 1nmr n LEU 50 CO 0.36 0.00 2.18 0.18 -1.11 0.00 0.00 177.39 179.00 1nmr n LEU 51 N 0.00 4.29 0.00 -1.96 4.32 -1.26 -2.06 117.00 120.33 1nmr n LEU 51 Ca 0.00 -2.82 -0.15 0.00 -0.02 0.00 0.00 56.01 53.01 1nmr n LEU 51 Cb 0.00 -1.08 0.05 0.00 -1.62 0.00 0.00 43.42 40.77 1nmr n LEU 51 CO 0.00 0.00 0.29 -0.62 -1.22 0.00 0.00 177.39 175.84 1nmr n GLU 52 N 5.80 0.69 0.41 3.23 -0.58 -1.11 -4.81 120.64 124.26 1nmr n GLU 52 Ca 0.46 -2.44 -0.19 0.00 -0.42 0.00 0.00 57.16 54.57 1nmr n GLU 52 Cb 0.28 -0.19 -0.10 0.00 -0.57 0.00 0.00 31.44 30.87 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 -1.12 0.00 3.49 2.86 -1.94 -2.60 114.93 115.62 1nmr h MET 53 Ca -0.21 0.08 0.00 0.00 -2.06 0.00 0.00 59.70 57.50 1nmr h MET 53 Cb 0.97 0.26 0.00 0.00 0.06 0.00 0.00 31.60 32.89 1nmr h MET 53 CO 0.30 -0.75 -0.01 -3.47 1.06 0.00 0.00 176.91 174.04 1nmr n ASP 54 N -5.55 0.03 -0.46 1.22 2.03 -1.26 -3.63 116.55 108.93 1nmr n ASP 54 Ca -0.14 0.16 0.42 0.00 0.52 0.00 0.00 54.79 55.74 1nmr n ASP 54 Cb 0.49 -0.51 0.73 0.00 -0.72 0.00 0.00 41.12 41.12 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 -0.02 0.00 0.34 1.67 -1.24 -1.80 -0.40 115.58 114.14 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 0.01 0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.06 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 -0.48 -0.77 1.57 0.00 -1.00 -3.12 103.07 99.27 1nmr h GLY 56 Ca 0.70 0.18 0.18 0.00 0.00 0.00 0.00 47.33 48.39 1nmr h GLY 56 CO -0.01 -0.17 -0.11 1.18 0.00 0.00 0.00 176.54 177.43 1nmr n GLU 57 N -4.80 -0.07 -0.26 4.80 -0.58 -0.17 0.23 120.64 119.80 1nmr n GLU 57 Ca -0.06 1.18 -0.05 0.00 -0.42 0.00 0.00 57.16 57.81 1nmr n GLU 57 Cb 0.18 -1.80 0.06 0.00 -0.57 0.00 0.00 31.44 29.30 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 1.19 -1.28 -3.67 2.04 -1.64 -2.55 117.51 111.60 1nmr h ILE 58 Ca 0.41 -0.38 0.43 0.00 1.00 0.00 0.00 64.86 66.32 1nmr h ILE 58 Cb 0.71 0.16 -0.12 0.00 -0.74 0.00 0.00 36.82 36.83 1nmr h ILE 58 CO -0.76 0.19 0.84 0.00 0.00 0.00 0.00 178.15 178.41 1nmr n LEU 59 N -4.57 0.17 -0.41 1.44 -0.00 0.63 0.53 117.00 114.79 1nmr n LEU 59 Ca 0.06 1.20 0.38 0.00 -0.00 0.00 0.00 56.01 57.65 1nmr n LEU 59 Cb 0.03 -0.59 0.74 0.00 -0.00 0.00 0.00 43.42 43.60 1nmr n LEU 59 CO 0.36 -1.29 1.35 -1.13 -0.00 0.00 0.00 177.39 176.67 1nmr h ASN 60 N 0.00 0.05 -1.86 1.45 -0.73 -1.45 -1.32 115.58 111.71 1nmr h ASN 60 Ca 0.79 0.02 -0.53 0.00 1.87 0.00 0.00 56.30 58.44 1nmr h ASN 60 Cb 2.61 0.01 -0.41 0.00 0.27 0.00 0.00 38.32 40.80 1nmr h ASN 60 CO -0.37 -0.00 -0.87 0.18 -0.37 0.00 0.00 177.43 176.00 1nmr n LEU 61 N -4.20 3.29 -1.84 0.34 4.32 0.19 -5.05 117.00 114.04 1nmr n LEU 61 Ca 0.30 -5.15 -0.11 0.00 -0.02 0.00 0.00 56.01 51.03 1nmr n LEU 61 Cb 1.39 -0.11 -0.09 0.00 -1.62 0.00 0.00 43.42 42.99 1nmr n LEU 61 CO 0.39 2.21 0.87 0.18 -1.22 0.00 0.00 177.39 179.81 1nmr n LEU 62 N -0.16 -0.45 -4.76 2.23 4.77 -0.50 -4.84 117.00 113.28 1nmr n LEU 62 Ca 0.28 -0.16 -0.23 0.00 -0.03 0.00 0.00 56.01 55.87 1nmr n LEU 62 Cb 0.57 -0.25 -0.06 0.00 -2.33 0.00 0.00 43.42 41.36 1nmr n LEU 62 CO 0.30 -0.53 -0.15 -0.62 -1.33 0.00 0.00 177.39 175.06 1nmr s ASP 63 N 0.77 4.71 -0.07 -1.43 -1.08 -1.26 -5.00 116.67 113.31 1nmr s ASP 63 Ca 0.54 -0.83 -0.23 0.00 -0.52 0.00 0.00 52.55 51.51 1nmr s ASP 63 Cb -0.38 -0.65 -0.19 0.00 -1.46 0.00 0.00 42.92 40.24 1nmr s ASP 63 CO 0.23 -0.43 0.92 0.74 0.52 0.00 0.00 175.17 177.15 1nmr h THR 64 N 1.41 1.17 0.09 1.71 2.02 -1.98 -3.17 112.91 114.16 1nmr h THR 64 Ca -0.43 -1.40 -0.00 0.00 0.77 0.00 0.00 66.41 65.34 1nmr h THR 64 Cb 1.25 2.01 0.00 0.00 -1.74 0.00 0.00 68.15 69.67 1nmr h THR 64 CO 0.64 0.32 -0.04 1.55 0.37 0.00 0.00 175.52 178.35 1nmr h PRO 65 N -0.80 -0.12 -0.51 6.66 0.13 -1.97 -2.89 132.00 132.50 1nmr h PRO 65 Ca -0.01 0.01 0.06 0.00 -0.87 0.00 0.00 66.00 65.18 1nmr h PRO 65 Cb 0.60 0.03 -0.09 0.00 0.13 0.00 0.00 31.00 31.67 1nmr h PRO 65 CO 0.02 -0.08 -0.56 0.78 -0.23 0.00 0.00 178.00 177.93 1nmr h GLY 66 N -0.64 -0.96 0.07 1.56 0.00 -1.96 0.44 103.07 101.58 1nmr h GLY 66 Ca -0.01 0.73 -0.00 0.00 0.00 0.00 0.00 47.33 48.04 1nmr h GLY 66 CO 0.02 -0.09 -0.04 1.41 0.00 0.00 0.00 176.54 177.84 1nmr h LEU 67 N -0.33 -0.11 -0.93 3.11 -0.00 -1.74 -1.07 115.31 114.23 1nmr h LEU 67 Ca 0.09 0.01 0.24 0.00 -0.00 0.00 0.00 57.88 58.21 1nmr h LEU 67 Cb 0.57 0.03 -0.17 0.00 -0.00 0.00 0.00 40.66 41.09 1nmr h LEU 67 CO -0.66 -0.07 -0.01 -0.07 -0.00 0.00 0.00 178.44 177.64 1nmr h LEU 68 N -0.10 -0.49 0.79 1.67 4.07 -1.37 1.38 115.31 121.24 1nmr h LEU 68 Ca -0.01 0.26 -0.03 0.00 0.08 0.00 0.00 57.88 58.18 1nmr h LEU 68 Cb 0.08 0.46 -0.00 0.00 1.08 0.00 0.00 40.66 42.28 1nmr h LEU 68 CO 0.01 -0.30 -0.49 -0.78 -1.08 0.00 0.00 178.44 175.80 1nmr h ASP 69 N 0.04 -1.24 0.33 -0.43 1.82 -0.05 -1.06 116.42 115.84 1nmr h ASP 69 Ca 0.54 0.07 0.00 0.00 -0.39 0.00 0.00 57.03 57.25 1nmr h ASP 69 Cb 1.04 0.36 0.00 0.00 0.68 0.00 0.00 39.33 41.41 1nmr h ASP 69 CO -0.87 -0.75 0.00 0.00 -1.61 0.00 0.00 179.24 176.02 1nmr n ALA 70 N -2.72 1.75 -0.07 -0.78 0.00 -0.14 -1.61 120.51 116.94 1nmr n ALA 70 Ca -0.15 -0.06 -0.08 0.00 0.00 0.00 0.00 53.44 53.15 1nmr n ALA 70 Cb 0.50 -1.23 -0.07 0.00 0.00 0.00 0.00 19.45 18.65 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 -0.00 0.00 1.57 0.27 -3.17 116.57 115.24 1nmr h LYS 71 Ca 0.00 0.00 -0.04 0.00 -1.87 0.00 0.00 60.65 58.74 1nmr h LYS 71 Cb 0.17 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.48 1nmr h LYS 71 CO 0.00 0.51 -0.15 -0.39 -0.57 0.00 0.00 179.45 178.85 1nmr h VAL 72 N -1.00 1.58 -0.08 0.50 -1.51 -1.18 -1.35 116.25 113.21 1nmr h VAL 72 Ca -0.04 -1.90 0.04 0.00 -1.23 0.00 0.00 66.70 63.57 1nmr h VAL 72 Cb 0.59 2.81 -0.06 0.00 -2.13 0.00 0.00 31.29 32.50 1nmr h VAL 72 CO -0.02 0.51 -0.34 1.56 -1.23 0.00 0.00 177.57 178.05 1nmr h GLN 73 N -0.61 -0.43 -0.46 5.19 1.08 -1.52 0.96 115.11 119.33 1nmr h GLN 73 Ca -0.02 0.03 -0.07 0.00 -1.45 0.00 0.00 58.65 57.14 1nmr h GLN 73 Cb 0.92 0.10 -0.02 0.00 -0.05 0.00 0.00 27.48 28.43 1nmr h GLN 73 CO 0.03 -0.29 0.02 1.49 -0.95 0.00 0.00 178.83 179.13 1nmr h GLU 74 N -0.45 0.79 -0.89 1.46 4.81 -1.67 0.85 114.58 119.47 1nmr h GLU 74 Ca 0.08 -0.24 0.01 0.00 -0.13 0.00 0.00 59.36 59.07 1nmr h GLU 74 Cb 0.57 -0.08 -0.04 0.00 0.63 0.00 0.00 28.75 29.83 1nmr h GLU 74 CO -0.33 0.84 0.58 0.00 -0.73 0.00 0.00 179.01 179.37 1nmr h ALA 75 N 0.92 1.13 0.07 2.92 0.00 -0.66 -2.01 119.26 121.63 1nmr h ALA 75 Ca 0.13 -0.07 -0.27 0.00 0.00 0.00 0.00 54.91 54.70 1nmr h ALA 75 Cb 0.47 -0.36 -0.02 0.00 0.00 0.00 0.00 17.79 17.88 1nmr h ALA 75 CO 0.02 0.55 -1.34 -0.07 0.00 0.00 0.00 179.25 178.40 1nmr h LEU 76 N 1.21 0.22 0.48 0.00 3.38 0.11 0.11 115.31 120.83 1nmr h LEU 76 Ca 0.33 -0.28 -0.02 0.00 0.09 0.00 0.00 57.88 58.00 1nmr h LEU 76 Cb -0.12 -0.07 -0.00 0.00 0.09 0.00 0.00 40.66 40.55 1nmr h LEU 76 CO -0.07 1.23 -0.28 -0.08 0.09 0.00 0.00 178.44 179.33 1nmr h GLU 77 N 0.04 -0.69 0.02 1.13 4.57 0.98 -3.35 114.58 117.27 1nmr h GLU 77 Ca -0.16 0.05 -0.33 0.00 -1.18 0.00 0.00 59.36 57.74 1nmr h GLU 77 Cb 1.93 0.16 -0.04 0.00 -0.16 0.00 0.00 28.75 30.63 1nmr h GLU 77 CO 0.15 -0.46 -1.81 1.55 -1.18 0.00 0.00 179.01 177.25 1nmr n VAL 78 N -5.42 1.56 -4.73 0.32 3.14 -0.78 -5.07 118.33 107.36 1nmr n VAL 78 Ca -0.11 -0.25 0.00 0.00 -2.96 0.00 0.00 64.34 61.02 1nmr n VAL 78 Cb 0.31 -1.92 0.00 0.00 -1.06 0.00 0.00 33.84 31.18 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 -4.19 0.00 0.00 6.55 0.00 0.39 -3.01 117.00 116.74 1nmr n LEU 79 Ca -0.40 0.00 0.05 0.00 0.00 0.00 0.00 56.01 55.66 1nmr n LEU 79 Cb 0.81 0.00 0.26 0.00 0.00 0.00 0.00 43.42 44.49 1nmr n LEU 79 CO 0.18 -0.74 0.52 -3.20 0.00 0.00 0.00 177.39 174.15 1nmr n ASN 80 N -2.05 0.00 -1.07 1.96 5.15 -1.26 -3.51 115.26 114.48 1nmr n ASN 80 Ca 0.00 -0.15 0.00 0.00 -0.60 0.00 0.00 54.58 53.83 1nmr n ASN 80 Cb 0.00 -0.09 0.00 0.00 -0.53 0.00 0.00 39.78 39.16 1nmr n ASN 80 CO 0.00 0.00 0.00 0.54 1.40 0.00 0.00 177.26 179.20 1nmr n ARG 81 N -1.09 0.53 -2.37 1.20 1.74 -1.16 -4.76 116.66 110.75 1nmr n ARG 81 Ca 0.06 0.00 -0.41 0.00 -0.77 0.00 0.00 57.85 56.73 1nmr n ARG 81 Cb 0.04 -1.23 -0.03 0.00 -1.02 0.00 0.00 32.46 30.22 1nmr n ARG 81 CO 0.00 0.00 0.00 -1.01 -1.52 0.00 0.00 177.63 175.10 1nmr s HIS 82 N 0.52 2.19 0.00 -1.55 3.76 -1.23 -4.42 115.29 114.56 1nmr s HIS 82 Ca 0.00 0.40 0.00 0.00 -0.15 0.00 0.00 55.06 55.31 1nmr s HIS 82 Cb 0.00 -4.40 0.00 0.00 1.11 0.00 0.00 32.58 29.29 1nmr s HIS 82 CO 0.00 -2.06 0.00 -0.12 -0.85 0.00 0.00 174.74 171.71 1nmr n MET 83 N 8.90 0.00 0.01 1.40 0.00 -1.26 -4.94 117.12 121.23 1nmr n MET 83 Ca 0.11 0.00 -0.10 0.00 0.00 0.00 0.00 57.70 57.71 1nmr n MET 83 Cb 0.50 -0.02 -0.14 0.00 0.00 0.00 0.00 33.22 33.56 1nmr n MET 83 CO 0.00 0.00 0.00 -2.95 0.00 0.00 0.00 175.97 173.02 1nmr h ASN 84 N 0.00 0.09 -0.01 6.12 -1.07 -2.01 -3.57 115.58 115.12 1nmr h ASN 84 Ca 0.00 -0.15 0.00 0.00 0.07 0.00 0.00 56.30 56.22 1nmr h ASN 84 Cb 0.00 -0.03 0.00 0.00 -2.07 0.00 0.00 38.32 36.22 1nmr h ASN 84 CO 0.00 1.13 0.00 0.55 0.07 0.00 0.00 177.43 179.18