#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 6.56 -0.16 1.61 0.01 -1.26 -5.00 113.70 115.47 1nmr s SER 2 Ca 0.00 0.61 0.00 0.00 1.31 0.00 0.00 55.95 57.88 1nmr s SER 2 Cb 0.00 -2.55 0.03 0.00 0.21 0.00 0.00 66.02 63.71 1nmr s SER 2 CO 0.00 -1.28 -0.12 -0.94 0.41 0.00 0.00 173.24 171.31 1nmr s SER 3 N 2.85 2.90 1.35 2.44 1.04 -1.26 -5.13 113.70 117.89 1nmr s SER 3 Ca 0.52 -0.62 -0.20 0.00 0.48 0.00 0.00 55.95 56.13 1nmr s SER 3 Cb -0.09 -1.16 0.31 0.00 0.10 0.00 0.00 66.02 65.17 1nmr s SER 3 CO 0.31 -0.10 0.85 0.18 0.98 0.00 0.00 173.24 175.47 1nmr n LEU 4 N 4.76 0.00 -4.56 2.42 4.77 -1.26 -4.81 117.00 118.32 1nmr n LEU 4 Ca -0.16 -0.88 -0.29 0.00 -0.03 0.00 0.00 56.01 54.66 1nmr n LEU 4 Cb 0.49 -0.88 -0.05 0.00 -2.33 0.00 0.00 43.42 40.65 1nmr n LEU 4 CO 0.20 -2.42 1.39 0.00 -1.33 0.00 0.00 177.39 175.24 1nmr s ALA 5 N -2.48 1.72 0.17 -1.18 0.00 -1.26 -4.95 121.76 113.79 1nmr s ALA 5 Ca 0.61 -1.30 -0.22 0.00 0.00 0.00 0.00 51.96 51.04 1nmr s ALA 5 Cb -0.09 -4.51 -0.08 0.00 0.00 0.00 0.00 23.12 18.45 1nmr s ALA 5 CO 0.49 -4.68 0.73 0.45 0.00 0.00 0.00 175.76 172.75 1nmr s SER 6 N 8.19 7.21 0.03 0.00 0.15 -1.26 -4.99 113.70 123.03 1nmr s SER 6 Ca 0.71 1.50 -0.21 0.00 0.70 0.00 0.00 55.95 58.64 1nmr s SER 6 Cb -0.08 -2.45 -0.15 0.00 -1.71 0.00 0.00 66.02 61.64 1nmr s SER 6 CO 0.04 0.15 1.36 -0.61 1.20 0.00 0.00 173.24 175.38 1nmr h GLN 7 N 3.99 0.30 -5.17 5.44 4.15 -2.04 -3.42 115.11 118.35 1nmr h GLN 7 Ca -0.48 -0.15 -0.63 0.00 0.77 0.00 0.00 58.65 58.17 1nmr h GLN 7 Cb 1.20 -0.00 -0.19 0.00 0.21 0.00 0.00 27.48 28.70 1nmr h GLN 7 CO 0.65 0.67 -0.60 0.20 -1.93 0.00 0.00 178.83 177.82 1nmr s GLY 8 N -3.33 1.83 -0.38 2.39 0.00 -1.26 -4.98 107.32 101.58 1nmr s GLY 8 Ca -0.14 -0.88 -0.00 0.00 0.00 0.00 0.00 44.72 43.69 1nmr s GLY 8 CO 0.74 0.19 1.92 0.61 0.00 0.00 0.00 173.10 176.57 1nmr n GLN 9 N 3.99 1.97 0.10 2.90 10.64 -1.26 -4.46 117.38 131.26 1nmr n GLN 9 Ca -0.16 -1.96 0.10 0.00 -1.83 0.00 0.00 57.00 53.14 1nmr n GLN 9 Cb 0.52 -1.77 0.43 0.00 -0.86 0.00 0.00 30.24 28.56 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 -0.09 0.45 0.07 2.61 2.85 -1.26 -2.10 115.26 117.79 1nmr n ASN 10 Ca 0.38 0.63 -0.06 0.00 -0.11 0.00 0.00 54.58 55.42 1nmr n ASN 10 Cb 0.73 -0.72 -0.08 0.00 1.24 0.00 0.00 39.78 40.95 1nmr n ASN 10 CO 0.00 0.00 0.00 -0.07 -2.11 0.00 0.00 177.26 175.08 1nmr h LEU 11 N 0.00 0.00 0.00 1.20 3.38 -1.88 -3.15 115.31 114.86 1nmr h LEU 11 Ca 0.00 0.00 -0.07 0.00 0.09 0.00 0.00 57.88 57.90 1nmr h LEU 11 Cb 0.25 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.99 1nmr h LEU 11 CO 0.00 0.93 -0.81 0.28 0.09 0.00 0.00 178.44 178.93 1nmr h SER 12 N 0.00 0.00 0.00 -0.43 0.02 -1.79 -3.34 113.55 108.01 1nmr h SER 12 Ca -0.01 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.94 1nmr h SER 12 Cb 1.67 0.00 0.00 0.00 0.14 0.00 0.00 62.40 64.21 1nmr h SER 12 CO 0.12 0.26 0.00 0.41 -1.14 0.00 0.00 176.83 176.48 1nmr n THR 13 N -2.93 0.00 -1.09 -2.27 -1.04 -1.12 -4.90 114.28 100.92 1nmr n THR 13 Ca -0.01 0.42 -0.29 0.00 -2.04 0.00 0.00 64.05 62.12 1nmr n THR 13 Cb 0.66 -0.90 0.16 0.00 -1.82 0.00 0.00 70.33 68.43 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 -0.63 2.44 -0.38 12.58 0.11 -1.19 -4.86 120.40 128.47 1nmr s VAL 14 Ca 0.00 0.14 0.00 0.00 -2.93 0.00 0.00 61.98 59.19 1nmr s VAL 14 Cb 0.00 -2.55 0.00 0.00 -1.53 0.00 0.00 36.38 32.30 1nmr s VAL 14 CO 0.00 -0.19 0.57 0.18 -3.33 0.00 0.00 175.10 172.33 1nmr n LEU 15 N -4.08 1.58 0.14 2.54 4.32 -1.26 -4.07 117.00 116.17 1nmr n LEU 15 Ca 0.06 -0.79 0.10 0.00 -0.02 0.00 0.00 56.01 55.36 1nmr n LEU 15 Cb 0.55 -0.35 0.50 0.00 -1.62 0.00 0.00 43.42 42.50 1nmr n LEU 15 CO 0.56 0.29 0.80 0.00 -1.22 0.00 0.00 177.39 177.81 1nmr n ALA 16 N 0.46 1.16 1.15 -1.18 0.00 -1.26 -0.66 120.51 120.18 1nmr n ALA 16 Ca 0.00 0.15 0.13 0.00 0.00 0.00 0.00 53.44 53.73 1nmr n ALA 16 Cb 0.29 -1.29 0.50 0.00 0.00 0.00 0.00 19.45 18.95 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 -2.15 0.34 -3.17 0.00 3.02 -1.25 -4.08 115.26 107.96 1nmr n ASN 17 Ca -0.01 -0.14 -0.36 0.00 -0.03 0.00 0.00 54.58 54.05 1nmr n ASN 17 Cb 0.07 -0.11 0.01 0.00 -0.61 0.00 0.00 39.78 39.13 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 -1.28 6.41 -0.08 3.41 7.99 0.16 -4.74 117.00 128.87 1nmr n LEU 18 Ca 0.09 -5.32 -0.12 0.00 -0.01 0.00 0.00 56.01 50.65 1nmr n LEU 18 Cb 0.32 -0.92 -0.08 0.00 -0.11 0.00 0.00 43.42 42.63 1nmr n LEU 18 CO 0.28 2.08 -0.19 0.74 -1.51 0.00 0.00 177.39 178.79 1nmr h THR 19 N 2.39 0.74 0.00 -5.08 2.02 -1.77 -3.12 112.91 108.09 1nmr h THR 19 Ca 0.42 -1.74 -0.01 0.00 0.77 0.00 0.00 66.41 65.85 1nmr h THR 19 Cb 0.37 1.58 -0.00 0.00 -1.74 0.00 0.00 68.15 68.36 1nmr h THR 19 CO 1.11 0.25 -0.06 1.55 0.37 0.00 0.00 175.52 178.74 1nmr h PRO 20 N -1.00 0.00 0.14 6.66 0.13 -1.94 0.49 132.00 136.48 1nmr h PRO 20 Ca -0.13 0.00 -0.20 0.00 -0.87 0.00 0.00 66.00 64.80 1nmr h PRO 20 Cb 0.83 0.00 0.02 0.00 0.13 0.00 0.00 31.00 31.98 1nmr h PRO 20 CO -0.08 0.06 -0.90 1.49 -0.23 0.00 0.00 178.00 178.34 1nmr h GLU 21 N 0.00 0.31 0.25 0.86 4.81 -1.91 -3.15 114.58 115.75 1nmr h GLU 21 Ca -0.00 -0.52 -0.34 0.00 -0.13 0.00 0.00 59.36 58.37 1nmr h GLU 21 Cb 0.35 0.19 0.04 0.00 0.63 0.00 0.00 28.75 29.97 1nmr h GLU 21 CO 0.01 1.25 -1.51 1.96 -0.73 0.00 0.00 179.01 179.99 1nmr h GLN 22 N -0.34 0.54 -0.37 1.92 1.08 -1.45 -3.22 115.11 113.26 1nmr h GLN 22 Ca -0.16 -0.92 0.05 0.00 -1.45 0.00 0.00 58.65 56.17 1nmr h GLN 22 Cb 1.68 0.34 -0.04 0.00 -0.05 0.00 0.00 27.48 29.40 1nmr h GLN 22 CO 0.15 1.44 0.10 0.37 -0.95 0.00 0.00 178.83 179.94 1nmr h GLN 23 N 0.15 0.24 -0.53 1.46 5.75 -0.18 -2.15 115.11 119.83 1nmr h GLN 23 Ca -0.27 -0.01 0.01 0.00 -0.15 0.00 0.00 58.65 58.23 1nmr h GLN 23 Cb 2.17 -0.05 -0.03 0.00 1.07 0.00 0.00 27.48 30.64 1nmr h GLN 23 CO 0.27 0.16 0.34 0.87 -2.65 0.00 0.00 178.83 177.82 1nmr h LYS 24 N 0.24 0.67 -0.24 1.69 1.79 -1.67 -2.41 116.57 116.64 1nmr h LYS 24 Ca 0.17 -0.04 0.06 0.00 -2.18 0.00 0.00 60.65 58.66 1nmr h LYS 24 Cb 0.18 -0.15 -0.07 0.00 -1.58 0.00 0.00 32.23 30.61 1nmr h LYS 24 CO -0.20 0.44 -0.23 -0.91 -1.08 0.00 0.00 179.45 177.48 1nmr h ASN 25 N 0.69 -0.73 -0.78 0.86 2.35 -1.42 -1.64 115.58 114.91 1nmr h ASN 25 Ca 0.20 0.13 0.06 0.00 -0.55 0.00 0.00 56.30 56.15 1nmr h ASN 25 Cb -0.04 0.35 -0.06 0.00 0.05 0.00 0.00 38.32 38.62 1nmr h ASN 25 CO -0.06 -0.27 0.47 1.62 -1.65 0.00 0.00 177.43 177.54 1nmr h VAL 26 N -0.23 1.02 -0.58 2.81 3.04 -1.18 -2.58 116.25 118.54 1nmr h VAL 26 Ca 0.14 -0.29 0.11 0.00 -1.01 0.00 0.00 66.70 65.64 1nmr h VAL 26 Cb 0.44 0.08 -0.11 0.00 -2.01 0.00 0.00 31.29 29.69 1nmr h VAL 26 CO -0.38 0.16 -0.32 0.25 -1.01 0.00 0.00 177.57 176.27 1nmr h LEU 27 N 0.86 -1.09 -0.80 3.16 5.85 -0.80 0.17 115.31 122.65 1nmr h LEU 27 Ca 0.34 0.22 -0.00 0.00 0.84 0.00 0.00 57.88 59.28 1nmr h LEU 27 Cb 0.17 0.55 -0.04 0.00 0.37 0.00 0.00 40.66 41.71 1nmr h LEU 27 CO -0.17 -0.30 0.49 1.23 -0.34 0.00 0.00 178.44 179.35 1nmr h GLY 28 N -0.15 1.15 0.87 3.75 0.00 -1.23 0.46 103.07 107.92 1nmr h GLY 28 Ca 0.24 -0.47 -0.02 0.00 0.00 0.00 0.00 47.33 47.08 1nmr h GLY 28 CO -0.67 0.46 -0.18 0.83 0.00 0.00 0.00 176.54 176.98 1nmr h GLU 29 N 1.09 -0.48 0.00 4.80 5.08 -0.96 -1.60 114.58 122.52 1nmr h GLU 29 Ca 0.29 0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.68 1nmr h GLU 29 Cb -0.06 0.11 0.00 0.00 0.50 0.00 0.00 28.75 29.30 1nmr h GLU 29 CO -0.06 -0.24 0.00 0.54 -1.00 0.00 0.00 179.01 178.25 1nmr n ARG 30 N -5.25 0.03 -0.05 2.33 5.12 0.43 -3.27 116.66 116.00 1nmr n ARG 30 Ca -0.10 0.26 -0.00 0.00 -1.93 0.00 0.00 57.85 56.08 1nmr n ARG 30 Cb 0.25 -1.55 -0.00 0.00 -1.16 0.00 0.00 32.46 30.00 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 0.00 -1.44 0.55 5.85 0.53 -3.19 115.31 117.61 1nmr h LEU 31 Ca 0.00 0.00 0.25 0.00 0.84 0.00 0.00 57.88 58.97 1nmr h LEU 31 Cb 0.27 0.00 -0.08 0.00 0.37 0.00 0.00 40.66 41.22 1nmr h LEU 31 CO 0.00 0.46 0.66 0.22 -0.34 0.00 0.00 178.44 179.44 1nmr h TYR 32 N -0.89 0.59 -0.38 1.25 5.03 -1.35 0.79 116.97 122.02 1nmr h TYR 32 Ca 0.00 0.02 -0.12 0.00 2.58 0.00 0.00 58.73 61.21 1nmr h TYR 32 Cb 0.03 -0.17 -0.01 0.00 1.55 0.00 0.00 36.73 38.13 1nmr h TYR 32 CO -0.01 0.09 -0.25 -0.97 -1.32 0.00 0.00 178.16 175.69 1nmr h ASN 33 N 0.38 0.78 -0.70 -2.11 -1.24 -1.69 1.93 115.58 112.94 1nmr h ASN 33 Ca 0.55 -0.29 -0.02 0.00 0.71 0.00 0.00 56.30 57.25 1nmr h ASN 33 Cb 1.43 -0.21 -0.03 0.00 0.73 0.00 0.00 38.32 40.24 1nmr h ASN 33 CO -0.24 1.00 0.35 1.12 -1.29 0.00 0.00 177.43 178.36 1nmr h HIS 34 N 0.66 0.99 0.00 0.67 2.07 -0.82 -3.09 115.15 115.62 1nmr h HIS 34 Ca 0.09 -0.04 0.00 0.00 -2.85 0.00 0.00 60.37 57.57 1nmr h HIS 34 Cb 0.76 -0.31 0.00 0.00 2.57 0.00 0.00 27.41 30.43 1nmr h HIS 34 CO 0.04 0.72 -1.40 1.51 -3.07 0.00 0.00 177.93 175.73 1nmr n ILE 35 N -4.46 0.14 -0.05 6.12 3.06 -1.09 -4.18 119.36 118.90 1nmr n ILE 35 Ca 0.06 -0.35 -0.08 0.00 -2.50 0.00 0.00 62.75 59.87 1nmr n ILE 35 Cb 0.12 0.16 -0.02 0.00 0.54 0.00 0.00 39.64 40.44 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 0.78 0.00 9.51 3.04 0.31 1.49 116.25 131.38 1nmr h VAL 36 Ca 0.00 0.00 -0.00 0.00 -1.01 0.00 0.00 66.70 65.69 1nmr h VAL 36 Cb 0.84 0.78 -0.00 0.00 -2.01 0.00 0.00 31.29 30.90 1nmr h VAL 36 CO 0.00 0.00 -0.01 0.00 -1.01 0.00 0.00 177.57 176.55 1nmr h ALA 37 N 1.21 1.00 0.00 3.17 0.00 -1.77 -3.12 119.26 119.74 1nmr h ALA 37 Ca 0.10 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.00 1nmr h ALA 37 Cb 0.16 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.95 1nmr h ALA 37 CO -0.22 0.02 -0.19 -0.89 0.00 0.00 0.00 179.25 177.97 1nmr n ILE 38 N -3.11 0.45 -3.80 0.00 2.08 -0.40 -4.84 119.36 109.75 1nmr n ILE 38 Ca 0.02 0.41 -0.28 0.00 0.56 0.00 0.00 62.75 63.45 1nmr n ILE 38 Cb 0.39 -1.78 -0.12 0.00 -0.75 0.00 0.00 39.64 37.38 1nmr n ILE 38 CO 0.00 0.00 0.00 0.20 0.56 0.00 0.00 176.55 177.31 1nmr s ASN 39 N -4.27 4.11 0.55 4.38 0.02 0.50 -4.94 114.94 115.28 1nmr s ASN 39 Ca -0.05 -3.59 0.30 0.00 -1.02 0.00 0.00 52.86 48.50 1nmr s ASN 39 Cb 0.01 -1.39 1.47 0.00 0.02 0.00 0.00 41.25 41.36 1nmr s ASN 39 CO 0.08 -0.12 1.89 -0.65 0.02 0.00 0.00 177.10 178.32 1nmr h PRO 40 N 5.59 0.00 -1.71 -0.60 0.11 -1.57 -1.12 132.00 132.70 1nmr h PRO 40 Ca 0.14 0.00 -0.51 0.00 0.11 0.00 0.00 66.00 65.75 1nmr h PRO 40 Cb 0.80 0.00 -0.19 0.00 0.11 0.00 0.00 31.00 31.72 1nmr h PRO 40 CO 0.64 0.00 0.55 0.00 -0.21 0.00 0.00 178.00 178.98 1nmr n ALA 41 N -2.61 6.04 0.00 -0.75 0.00 -1.26 -4.09 120.51 117.84 1nmr n ALA 41 Ca 0.15 -2.82 0.00 0.00 0.00 0.00 0.00 53.44 50.77 1nmr n ALA 41 Cb 0.87 -1.84 0.00 0.00 0.00 0.00 0.00 19.45 18.48 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 0.28 0.12 -0.30 0.00 0.00 -0.45 -4.65 120.51 115.52 1nmr n ALA 42 Ca 0.46 0.00 0.02 0.00 0.00 0.00 0.00 53.44 53.92 1nmr n ALA 42 Cb 0.53 0.00 0.08 0.00 0.00 0.00 0.00 19.45 20.06 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 -1.94 0.06 -0.34 0.00 0.00 -1.08 0.20 120.51 117.40 1nmr n ALA 43 Ca 0.00 0.85 0.12 0.00 0.00 0.00 0.00 53.44 54.41 1nmr n ALA 43 Cb 0.00 -0.45 0.32 0.00 0.00 0.00 0.00 19.45 19.32 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 1.38 1.69 0.06 0.00 0.00 -1.89 1.02 119.26 121.51 1nmr h ALA 44 Ca 0.34 0.06 -0.13 0.00 0.00 0.00 0.00 54.91 55.17 1nmr h ALA 44 Cb 0.54 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.22 1nmr h ALA 44 CO -0.82 -0.02 -0.65 0.87 0.00 0.00 0.00 179.25 178.64 1nmr h LYS 45 N 0.79 0.12 -0.03 0.00 1.79 0.18 -2.71 116.57 116.72 1nmr h LYS 45 Ca 0.55 -0.21 0.01 0.00 -2.18 0.00 0.00 60.65 58.81 1nmr h LYS 45 Cb 0.81 0.08 -0.01 0.00 -1.58 0.00 0.00 32.23 31.54 1nmr h LYS 45 CO -0.33 1.10 -0.01 0.28 -1.08 0.00 0.00 179.45 179.41 1nmr h VAL 46 N -0.71 0.96 -0.03 0.50 2.07 0.79 0.89 116.25 120.73 1nmr h VAL 46 Ca -0.14 0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.38 1nmr h VAL 46 Cb 1.35 0.96 -0.00 0.00 -1.52 0.00 0.00 31.29 32.08 1nmr h VAL 46 CO 0.02 0.00 0.01 0.74 0.02 0.00 0.00 177.57 178.36 1nmr h THR 47 N -0.01 1.15 0.17 2.57 2.02 0.91 0.93 112.91 120.66 1nmr h THR 47 Ca 0.02 -0.45 -0.01 0.00 0.77 0.00 0.00 66.41 66.73 1nmr h THR 47 Cb 0.03 1.41 0.00 0.00 -1.74 0.00 0.00 68.15 67.85 1nmr h THR 47 CO -0.03 0.12 -0.08 1.23 0.37 0.00 0.00 175.52 177.12 1nmr h GLY 48 N -0.14 -0.24 0.31 2.16 0.00 -1.39 -3.36 103.07 100.40 1nmr h GLY 48 Ca 0.01 0.09 -0.00 0.00 0.00 0.00 0.00 47.33 47.43 1nmr h GLY 48 CO -0.00 -0.09 -0.02 -0.33 0.00 0.00 0.00 176.54 176.10 1nmr h MET 49 N -0.79 -0.07 0.00 4.80 2.07 0.73 -3.42 114.93 118.25 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 0.52 0.01 0.00 0.00 -1.87 0.00 0.00 31.60 30.27 1nmr h MET 49 CO 0.04 0.54 0.00 -0.11 1.07 0.00 0.00 176.91 178.45 1nmr n LEU 50 N -4.81 0.00 -3.85 1.22 7.94 0.32 -3.62 117.00 114.20 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 0.31 0.00 -0.07 0.00 0.53 0.00 0.00 43.42 44.20 1nmr n LEU 50 CO 0.30 0.00 1.88 0.18 -1.11 0.00 0.00 177.39 178.64 1nmr n LEU 51 N 0.00 3.42 -4.99 -1.96 4.77 -1.26 -4.02 117.00 112.96 1nmr n LEU 51 Ca 0.00 -2.78 -0.23 0.00 -0.03 0.00 0.00 56.01 52.97 1nmr n LEU 51 Cb 0.00 -1.20 0.09 0.00 -2.33 0.00 0.00 43.42 39.98 1nmr n LEU 51 CO 0.00 -0.98 0.49 -1.61 -1.33 0.00 0.00 177.39 173.97 1nmr s GLU 52 N 5.66 1.91 0.01 3.23 0.41 -1.24 -4.88 118.70 123.80 1nmr s GLU 52 Ca 0.62 -1.10 -0.22 0.00 -0.41 0.00 0.00 54.97 53.86 1nmr s GLU 52 Cb 0.11 -2.39 -0.12 0.00 -1.78 0.00 0.00 34.13 29.94 1nmr s GLU 52 CO 0.15 -1.24 1.02 0.52 -0.49 0.00 0.00 175.26 175.22 1nmr h MET 53 N -0.34 -0.75 0.00 1.61 2.86 -1.95 -3.00 114.93 113.36 1nmr h MET 53 Ca -0.37 0.05 0.00 0.00 -2.06 0.00 0.00 59.70 57.32 1nmr h MET 53 Cb 1.28 0.17 0.00 0.00 0.06 0.00 0.00 31.60 33.11 1nmr h MET 53 CO 0.43 -0.50 0.00 -0.40 1.06 0.00 0.00 176.91 177.49 1nmr n ASP 54 N -4.80 0.00 0.33 1.22 5.75 -1.26 -3.77 116.55 114.02 1nmr n ASP 54 Ca -0.10 0.22 0.14 0.00 -0.01 0.00 0.00 54.79 55.05 1nmr n ASP 54 Cb 0.31 -0.48 0.75 0.00 -1.03 0.00 0.00 41.12 40.67 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 0.30 -1.12 -1.24 -1.93 -2.37 115.58 109.22 1nmr h ASN 55 Ca 0.00 0.00 -0.01 0.00 0.71 0.00 0.00 56.30 57.00 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 -0.14 1.23 -1.29 0.00 0.00 177.43 177.23 1nmr h GLY 56 N 0.00 -0.42 -0.74 1.57 0.00 -1.66 -3.21 103.07 98.61 1nmr h GLY 56 Ca 0.00 0.16 0.14 0.00 0.00 0.00 0.00 47.33 47.62 1nmr h GLY 56 CO 0.00 -0.15 -0.22 1.18 0.00 0.00 0.00 176.54 177.35 1nmr n GLU 57 N -4.48 -0.10 -0.22 4.80 -0.58 -0.89 0.19 120.64 119.35 1nmr n GLU 57 Ca -0.05 1.15 0.00 0.00 -0.42 0.00 0.00 57.16 57.85 1nmr n GLU 57 Cb 0.16 -1.72 0.12 0.00 -0.57 0.00 0.00 31.44 29.43 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 0.84 -1.36 -3.67 2.04 -1.67 -1.37 117.51 112.32 1nmr h ILE 58 Ca 0.33 -0.18 0.39 0.00 1.00 0.00 0.00 64.86 66.40 1nmr h ILE 58 Cb 0.51 0.25 -0.05 0.00 -0.74 0.00 0.00 36.82 36.79 1nmr h ILE 58 CO -0.76 0.10 1.09 0.17 0.00 0.00 0.00 178.15 178.75 1nmr h LEU 59 N 0.54 0.00 -1.32 1.44 8.10 0.21 0.23 115.31 124.51 1nmr h LEU 59 Ca 0.32 0.00 0.13 0.00 0.11 0.00 0.00 57.88 58.44 1nmr h LEU 59 Cb 0.34 0.00 -0.02 0.00 -0.44 0.00 0.00 40.66 40.54 1nmr h LEU 59 CO -0.27 0.00 0.76 -1.13 -4.11 0.00 0.00 178.44 173.70 1nmr h ASN 60 N 0.00 0.00 -2.32 0.17 -0.00 -1.24 -1.94 115.58 110.25 1nmr h ASN 60 Ca 0.64 0.00 -0.67 0.00 -0.00 0.00 0.00 56.30 56.28 1nmr h ASN 60 Cb 2.81 0.00 -0.37 0.00 -0.00 0.00 0.00 38.32 40.76 1nmr h ASN 60 CO -0.01 0.00 -0.08 0.18 -0.00 0.00 0.00 177.43 177.53 1nmr n LEU 61 N -3.16 5.26 -2.81 0.34 4.77 0.07 -5.01 117.00 116.46 1nmr n LEU 61 Ca 0.09 -5.52 -0.04 0.00 -0.03 0.00 0.00 56.01 50.50 1nmr n LEU 61 Cb 0.92 -0.80 -0.04 0.00 -2.33 0.00 0.00 43.42 41.17 1nmr n LEU 61 CO 0.18 2.16 0.87 0.18 -1.33 0.00 0.00 177.39 179.45 1nmr n LEU 62 N 0.16 -1.27 -4.94 2.23 4.77 -0.73 -4.77 117.00 112.45 1nmr n LEU 62 Ca 0.34 -0.81 -0.20 0.00 -0.03 0.00 0.00 56.01 55.31 1nmr n LEU 62 Cb 0.36 -0.40 -0.02 0.00 -2.33 0.00 0.00 43.42 41.03 1nmr n LEU 62 CO 0.44 -1.06 -0.02 -1.81 -1.33 0.00 0.00 177.39 173.60 1nmr s ASP 63 N 0.00 5.96 -0.07 -1.43 1.01 -1.26 -4.99 116.67 115.88 1nmr s ASP 63 Ca 0.23 -0.14 -0.23 0.00 0.71 0.00 0.00 52.55 53.12 1nmr s ASP 63 Cb -0.15 -1.45 -0.18 0.00 1.01 0.00 0.00 42.92 42.15 1nmr s ASP 63 CO 0.10 -0.24 0.89 0.74 0.21 0.00 0.00 175.17 176.87 1nmr h THR 64 N 1.11 1.15 0.07 -1.27 2.02 -1.98 -3.14 112.91 110.87 1nmr h THR 64 Ca -0.48 -1.41 -0.00 0.00 0.77 0.00 0.00 66.41 65.28 1nmr h THR 64 Cb 1.24 1.98 0.00 0.00 -1.74 0.00 0.00 68.15 69.63 1nmr h THR 64 CO 0.57 0.32 -0.03 1.55 0.37 0.00 0.00 175.52 178.30 1nmr h PRO 65 N -0.82 -0.09 -0.54 6.66 0.13 -1.97 -3.02 132.00 132.36 1nmr h PRO 65 Ca -0.01 0.01 0.07 0.00 -0.87 0.00 0.00 66.00 65.20 1nmr h PRO 65 Cb 0.60 0.02 -0.10 0.00 0.13 0.00 0.00 31.00 31.65 1nmr h PRO 65 CO 0.02 -0.06 -0.51 0.78 -0.23 0.00 0.00 178.00 178.00 1nmr h GLY 66 N -0.44 -0.75 0.06 1.56 0.00 -1.95 0.59 103.07 102.13 1nmr h GLY 66 Ca -0.01 0.66 -0.00 0.00 0.00 0.00 0.00 47.33 47.98 1nmr h GLY 66 CO 0.02 -0.12 -0.04 -2.00 0.00 0.00 0.00 176.54 174.39 1nmr h LEU 67 N -0.28 -0.10 -1.59 3.11 7.12 -1.74 0.47 115.31 122.29 1nmr h LEU 67 Ca 0.13 0.01 0.18 0.00 0.13 0.00 0.00 57.88 58.32 1nmr h LEU 67 Cb 0.56 0.03 -0.02 0.00 -0.53 0.00 0.00 40.66 40.70 1nmr h LEU 67 CO -0.67 -0.06 0.74 -0.07 -0.13 0.00 0.00 178.44 178.25 1nmr h LEU 68 N -0.09 0.00 0.00 2.25 4.07 -1.38 1.23 115.31 121.39 1nmr h LEU 68 Ca -0.01 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.95 1nmr h LEU 68 Cb 0.08 0.00 0.00 0.00 1.08 0.00 0.00 40.66 41.82 1nmr h LEU 68 CO 0.00 0.00 -0.17 -0.78 -1.08 0.00 0.00 178.44 176.41 1nmr h ASP 69 N 0.00 0.00 0.49 -0.43 3.58 0.76 -2.98 116.42 117.84 1nmr h ASP 69 Ca 0.29 0.00 -0.01 0.00 0.42 0.00 0.00 57.03 57.73 1nmr h ASP 69 Cb 1.78 0.00 -0.00 0.00 1.72 0.00 0.00 39.33 42.82 1nmr h ASP 69 CO -0.00 0.52 -0.07 0.00 -2.88 0.00 0.00 179.24 176.81 1nmr h ALA 70 N -1.12 1.13 0.19 -0.78 0.00 0.60 -1.66 119.26 117.62 1nmr h ALA 70 Ca 0.00 -0.06 -0.01 0.00 0.00 0.00 0.00 54.91 54.84 1nmr h ALA 70 Cb 0.17 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.95 1nmr h ALA 70 CO 0.00 0.09 -0.09 0.87 0.00 0.00 0.00 179.25 180.12 1nmr h LYS 71 N 0.00 -0.24 -0.27 0.00 1.79 0.14 -1.69 116.57 116.30 1nmr h LYS 71 Ca -0.00 0.02 -0.03 0.00 -2.18 0.00 0.00 60.65 58.46 1nmr h LYS 71 Cb 0.33 0.06 -0.01 0.00 -1.58 0.00 0.00 32.23 31.03 1nmr h LYS 71 CO 0.01 0.13 0.06 -0.39 -1.08 0.00 0.00 179.45 178.18 1nmr h VAL 72 N -0.92 1.22 0.27 0.50 -1.51 -1.45 -1.77 116.25 112.59 1nmr h VAL 72 Ca -0.03 -0.72 -0.01 0.00 -1.23 0.00 0.00 66.70 64.71 1nmr h VAL 72 Cb 0.49 1.18 0.00 0.00 -2.13 0.00 0.00 31.29 30.83 1nmr h VAL 72 CO 0.04 0.23 -0.13 1.56 -1.23 0.00 0.00 177.57 178.04 1nmr h GLN 73 N 0.26 -0.35 -0.44 5.19 1.08 -1.44 0.76 115.11 120.17 1nmr h GLN 73 Ca 0.08 0.02 0.07 0.00 -1.45 0.00 0.00 58.65 57.37 1nmr h GLN 73 Cb 0.29 0.08 -0.02 0.00 -0.05 0.00 0.00 27.48 27.78 1nmr h GLN 73 CO 0.00 -0.14 0.30 1.49 -0.95 0.00 0.00 178.83 179.54 1nmr h GLU 74 N -0.51 0.31 0.21 1.46 4.22 -1.33 0.44 114.58 119.38 1nmr h GLU 74 Ca -0.04 -0.02 -0.34 0.00 0.08 0.00 0.00 59.36 59.04 1nmr h GLU 74 Cb 0.38 -0.07 0.02 0.00 0.50 0.00 0.00 28.75 29.58 1nmr h GLU 74 CO 0.06 0.20 -1.61 0.00 -2.18 0.00 0.00 179.01 175.49 1nmr h ALA 75 N 1.76 0.03 -0.09 2.92 0.00 -1.07 -2.69 119.26 120.13 1nmr h ALA 75 Ca 0.20 -1.01 -0.13 0.00 0.00 0.00 0.00 54.91 53.97 1nmr h ALA 75 Cb 0.38 0.31 -0.01 0.00 0.00 0.00 0.00 17.79 18.46 1nmr h ALA 75 CO -0.04 0.90 -0.51 -0.07 0.00 0.00 0.00 179.25 179.52 1nmr h LEU 76 N 0.12 0.27 0.15 0.00 3.38 0.12 0.94 115.31 120.29 1nmr h LEU 76 Ca -0.29 -0.13 -0.01 0.00 0.09 0.00 0.00 57.88 57.54 1nmr h LEU 76 Cb 2.12 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 42.80 1nmr h LEU 76 CO 0.22 0.74 -0.07 -0.08 0.09 0.00 0.00 178.44 179.33 1nmr h GLU 77 N 0.20 -0.20 -0.22 1.13 4.81 -0.26 -3.33 114.58 116.71 1nmr h GLU 77 Ca 0.01 0.01 -0.17 0.00 -0.13 0.00 0.00 59.36 59.08 1nmr h GLU 77 Cb 0.97 0.05 0.00 0.00 0.63 0.00 0.00 28.75 30.40 1nmr h GLU 77 CO 0.08 0.24 -0.54 -0.24 -0.73 0.00 0.00 179.01 177.82 1nmr h VAL 78 N -0.82 1.30 -1.50 0.32 3.04 -1.51 -3.49 116.25 113.59 1nmr h VAL 78 Ca -0.02 -1.75 0.00 0.00 -1.01 0.00 0.00 66.70 63.92 1nmr h VAL 78 Cb 0.53 1.81 -0.00 0.00 -2.01 0.00 0.00 31.29 31.62 1nmr h VAL 78 CO 0.03 0.56 -0.01 0.18 -1.01 0.00 0.00 177.57 177.33 1nmr n LEU 79 N -4.09 0.00 0.00 3.16 4.77 0.32 -2.62 117.00 118.55 1nmr n LEU 79 Ca -0.06 0.02 0.01 0.00 -0.03 0.00 0.00 56.01 55.95 1nmr n LEU 79 Cb 0.62 -0.05 0.05 0.00 -2.33 0.00 0.00 43.42 41.72 1nmr n LEU 79 CO 0.49 -1.13 0.39 -3.20 -1.33 0.00 0.00 177.39 172.61 1nmr n ASN 80 N -3.27 0.00 -0.77 -1.43 5.15 -1.26 -3.37 115.26 110.31 1nmr n ASN 80 Ca 0.00 0.14 0.00 0.00 -0.60 0.00 0.00 54.58 54.12 1nmr n ASN 80 Cb 0.01 -0.18 0.00 0.00 -0.53 0.00 0.00 39.78 39.07 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 -1.18 0.31 -2.32 1.20 5.12 -1.08 -4.72 116.66 114.00 1nmr n ARG 81 Ca 0.01 0.00 -0.41 0.00 -1.93 0.00 0.00 57.85 55.53 1nmr n ARG 81 Cb 0.01 -1.26 -0.03 0.00 -1.16 0.00 0.00 32.46 30.03 1nmr n ARG 81 CO 0.00 0.00 0.00 -1.58 -1.93 0.00 0.00 177.63 174.12 1nmr s HIS 82 N -0.09 2.08 -0.02 -1.55 2.46 -1.22 -4.77 115.29 112.19 1nmr s HIS 82 Ca 0.00 0.43 0.15 0.00 0.47 0.00 0.00 55.06 56.10 1nmr s HIS 82 Cb 0.00 -4.36 -0.23 0.00 -0.13 0.00 0.00 32.58 27.86 1nmr s HIS 82 CO 0.00 -2.14 0.32 -0.12 -2.47 0.00 0.00 174.74 170.33 1nmr n MET 83 N 9.01 0.49 -3.55 2.88 1.56 -1.26 -4.79 117.12 121.46 1nmr n MET 83 Ca 0.12 -0.13 -0.40 0.00 -0.27 0.00 0.00 57.70 57.02 1nmr n MET 83 Cb 0.50 -1.35 -0.06 0.00 2.15 0.00 0.00 33.22 34.46 1nmr n MET 83 CO 0.00 0.00 0.00 1.21 -0.73 0.00 0.00 175.97 176.45 1nmr s ASN 84 N -3.75 6.05 0.00 6.12 2.47 -1.26 -5.33 114.94 119.24 1nmr s ASN 84 Ca -0.05 -3.05 0.00 0.00 0.42 0.00 0.00 52.86 50.17 1nmr s ASN 84 Cb 0.09 -2.01 0.00 0.00 -1.45 0.00 0.00 41.25 37.89 1nmr s ASN 84 CO 0.62 -0.39 0.03 0.55 -3.72 0.00 0.00 177.10 174.20