#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2b64 s ASN 9 N 0.00 -0.49 0.03 0.55 3.84 -1.26 -5.18 114.94 112.44 2b64 s ASN 9 Ca 0.00 0.39 0.04 0.00 0.21 0.00 0.00 52.86 53.51 2b64 s ASN 9 Cb 0.00 1.45 -0.02 0.00 -0.55 0.00 0.00 41.25 42.13 2b64 s ASN 9 CO 0.00 -0.09 -0.13 -0.22 -2.79 0.00 0.00 177.10 173.87 2b64 s LEU 10 N 2.78 2.16 -0.22 3.21 2.96 -1.26 -5.04 118.68 123.28 2b64 s LEU 10 Ca -0.00 -0.43 0.02 0.00 -0.22 0.00 0.00 54.13 53.50 2b64 s LEU 10 Cb -0.09 -0.54 0.31 0.00 0.50 0.00 0.00 46.19 46.36 2b64 s LEU 10 CO -0.13 0.02 1.47 -1.20 -1.32 0.00 0.00 176.35 175.19 2b64 n SER 11 N 1.98 3.56 -1.76 3.68 7.64 -1.26 -4.37 113.62 123.09 2b64 n SER 11 Ca -0.18 -2.77 -0.15 0.00 1.01 0.00 0.00 58.87 56.77 2b64 n SER 11 Cb 0.55 -0.69 0.19 0.00 -1.01 0.00 0.00 64.21 63.25 2b64 n SER 11 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2b64 n ALA 12 N -0.23 5.05 0.56 -0.43 0.00 -1.26 -4.26 120.51 119.94 2b64 n ALA 12 Ca 0.28 -3.03 0.07 0.00 0.00 0.00 0.00 53.44 50.76 2b64 n ALA 12 Cb 1.02 -1.13 0.06 0.00 0.00 0.00 0.00 19.45 19.40 2b64 n ALA 12 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 2b64 n LEU 13 N -1.14 2.14 0.22 0.00 4.32 -1.26 -4.26 117.00 117.02 2b64 n LEU 13 Ca 0.48 -1.01 0.15 0.00 -0.02 0.00 0.00 56.01 55.61 2b64 n LEU 13 Cb 1.38 -0.00 0.51 0.00 -1.62 0.00 0.00 43.42 43.69 2b64 n LEU 13 CO 0.42 0.40 0.92 0.50 -1.22 0.00 0.00 177.39 178.40 2b64 h LYS 14 N 2.67 0.00 -0.03 3.23 3.64 -1.94 -2.60 116.57 121.54 2b64 h LYS 14 Ca 0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 2b64 h LYS 14 Cb 0.57 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.39 2b64 h LYS 14 CO 0.00 0.00 0.00 0.54 -2.27 0.00 0.00 179.45 177.72 2b64 n ARG 15 N -2.83 1.65 -0.12 1.90 5.12 -1.26 -3.62 116.66 117.50 2b64 n ARG 15 Ca 0.02 -0.94 -0.21 0.00 -1.93 0.00 0.00 57.85 54.78 2b64 n ARG 15 Cb 0.35 -1.47 -0.09 0.00 -1.16 0.00 0.00 32.46 30.09 2b64 n ARG 15 CO 0.00 0.00 0.00 1.58 -1.93 0.00 0.00 177.63 177.28 2b64 n HIS 16 N 0.15 0.00 -0.36 -1.55 -0.00 -1.00 -3.73 115.22 108.74 2b64 n HIS 16 Ca 0.19 0.00 -0.02 0.00 0.46 0.00 0.00 57.72 58.34 2b64 n HIS 16 Cb 0.34 -0.85 0.11 0.00 -0.12 0.00 0.00 29.99 29.48 2b64 n HIS 16 CO 0.00 0.00 0.00 0.00 0.46 0.00 0.00 176.34 176.80 2b64 h ARG 17 N -0.51 1.29 -0.23 1.57 3.08 -1.66 -2.09 114.38 115.82 2b64 h ARG 17 Ca -0.56 -0.10 -0.13 0.00 0.07 0.00 0.00 59.98 59.26 2b64 h ARG 17 Cb 1.62 -0.28 -0.00 0.00 0.08 0.00 0.00 29.97 31.39 2b64 h ARG 17 CO -0.25 0.88 -0.37 1.96 -1.07 0.00 0.00 179.97 181.12 2b64 h GLN 18 N 1.32 0.66 -0.87 0.04 4.20 -1.80 -2.60 115.11 116.06 2b64 h GLN 18 Ca 0.35 -0.40 0.15 0.00 0.06 0.00 0.00 58.65 58.81 2b64 h GLN 18 Cb -0.10 0.04 -0.10 0.00 0.30 0.00 0.00 27.48 27.63 2b64 h GLN 18 CO -0.07 1.01 0.46 1.03 -0.67 0.00 0.00 178.83 180.59 2b64 h SER 19 N 0.37 0.56 0.48 1.46 0.87 -1.54 0.58 113.55 116.33 2b64 h SER 19 Ca 0.02 0.09 -0.02 0.00 -1.23 0.00 0.00 61.79 60.65 2b64 h SER 19 Cb 0.96 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.92 2b64 h SER 19 CO 0.08 0.23 -0.23 -0.07 -0.53 0.00 0.00 176.83 176.31 2b64 h LEU 20 N 0.64 -0.55 -1.00 2.23 3.38 -1.44 0.10 115.31 118.68 2b64 h LEU 20 Ca 0.48 -0.08 0.21 0.00 0.09 0.00 0.00 57.88 58.58 2b64 h LEU 20 Cb 0.68 0.14 -0.12 0.00 0.09 0.00 0.00 40.66 41.46 2b64 h LEU 20 CO -0.36 -0.20 0.59 0.11 0.09 0.00 0.00 178.44 178.67 2b64 h LYS 21 N -0.94 0.65 0.00 1.13 1.57 -0.84 0.40 116.57 118.53 2b64 h LYS 21 Ca -0.07 -0.04 -0.17 0.00 -1.87 0.00 0.00 60.65 58.50 2b64 h LYS 21 Cb 0.59 -0.15 0.01 0.00 0.08 0.00 0.00 32.23 32.77 2b64 h LYS 21 CO 0.11 0.43 -0.67 0.00 -0.57 0.00 0.00 179.45 178.75 2b64 h ARG 22 N 0.67 0.45 -0.46 3.15 3.08 0.08 -3.22 114.38 118.13 2b64 h ARG 22 Ca 0.60 -0.49 0.09 0.00 0.07 0.00 0.00 59.98 60.26 2b64 h ARG 22 Cb 1.04 0.14 -0.09 0.00 0.08 0.00 0.00 29.97 31.14 2b64 h ARG 22 CO -0.43 1.14 -0.10 -0.09 -1.07 0.00 0.00 179.97 179.42 2b64 h ARG 23 N -0.03 0.02 -0.05 0.04 1.12 0.89 0.21 114.38 116.56 2b64 h ARG 23 Ca -0.08 -0.00 0.01 0.00 -1.11 0.00 0.00 59.98 58.80 2b64 h ARG 23 Cb 1.37 -0.00 -0.00 0.00 -0.01 0.00 0.00 29.97 31.33 2b64 h ARG 23 CO 0.13 0.01 0.23 -0.07 -3.11 0.00 0.00 179.97 177.17 2b64 h LEU 24 N 0.02 0.00 0.00 3.80 -0.00 -0.35 -2.72 115.31 116.06 2b64 h LEU 24 Ca 0.22 0.00 -0.27 0.00 -0.00 0.00 0.00 57.88 57.84 2b64 h LEU 24 Cb 0.34 0.00 -0.05 0.00 -0.00 0.00 0.00 40.66 40.95 2b64 h LEU 24 CO -0.46 0.00 -2.00 -1.14 -0.00 0.00 0.00 178.44 174.84 2b64 n ARG 25 N -3.11 1.36 0.04 1.13 0.63 0.52 -3.88 116.66 113.34 2b64 n ARG 25 Ca -0.01 0.02 -0.10 0.00 -0.92 0.00 0.00 57.85 56.84 2b64 n ARG 25 Cb 0.31 -1.37 -0.13 0.00 0.45 0.00 0.00 32.46 31.72 2b64 n ARG 25 CO 0.00 0.00 0.00 -2.95 -2.51 0.00 0.00 177.63 172.17 2b64 h ASN 26 N 0.00 0.10 0.85 6.15 -0.00 -0.92 -2.96 115.58 118.80 2b64 h ASN 26 Ca -0.40 -0.13 -0.15 0.00 -0.00 0.00 0.00 56.30 55.62 2b64 h ASN 26 Cb 1.83 -0.03 -0.02 0.00 -0.00 0.00 0.00 38.32 40.09 2b64 h ASN 26 CO 0.00 1.11 -0.73 0.50 -0.00 0.00 0.00 177.43 178.30 2b64 h LYS 27 N 0.02 0.00 -0.25 4.14 3.11 -1.73 -1.88 116.57 119.99 2b64 h LYS 27 Ca -0.13 0.00 -0.13 0.00 -2.81 0.00 0.00 60.65 57.58 2b64 h LYS 27 Cb 1.89 0.00 -0.01 0.00 -1.00 0.00 0.00 32.23 33.11 2b64 h LYS 27 CO 0.13 0.73 -0.38 0.00 -2.81 0.00 0.00 179.45 177.12 2b64 h ALA 28 N 1.27 0.87 0.00 5.00 0.00 -1.67 -2.71 119.26 122.02 2b64 h ALA 28 Ca -0.01 -0.43 -0.14 0.00 0.00 0.00 0.00 54.91 54.34 2b64 h ALA 28 Cb 1.36 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 19.01 2b64 h ALA 28 CO 0.10 0.64 -1.63 1.63 0.00 0.00 0.00 179.25 179.99 2b64 n LYS 29 N -4.04 0.64 0.07 0.00 5.02 -1.12 -3.20 118.16 115.53 2b64 n LYS 29 Ca -0.01 0.08 -0.03 0.00 -2.02 0.00 0.00 58.31 56.32 2b64 n LYS 29 Cb 0.50 -1.70 0.20 0.00 -0.02 0.00 0.00 35.03 34.00 2b64 n LYS 29 CO 0.00 0.00 0.00 -0.22 -0.52 0.00 0.00 177.40 176.66 2b64 h LYS 30 N 0.00 0.33 -0.12 1.97 3.64 -1.39 -2.64 116.57 118.35 2b64 h LYS 30 Ca -0.16 -0.16 -0.11 0.00 -1.27 0.00 0.00 60.65 58.95 2b64 h LYS 30 Cb 1.47 -0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.29 2b64 h LYS 30 CO 0.03 0.68 -0.35 0.66 -2.27 0.00 0.00 179.45 178.19 2b64 h SER 31 N 0.28 0.52 -0.12 4.20 4.64 -1.60 -2.79 113.55 118.67 2b64 h SER 31 Ca 0.03 -0.59 -0.00 0.00 -0.47 0.00 0.00 61.79 60.75 2b64 h SER 31 Cb 0.82 -0.15 -0.01 0.00 -0.31 0.00 0.00 62.40 62.75 2b64 h SER 31 CO 0.07 1.03 0.07 0.00 -0.87 0.00 0.00 176.83 177.13 2b64 h ALA 32 N 0.51 1.87 0.73 5.18 0.00 -1.55 0.55 119.26 126.55 2b64 h ALA 32 Ca -0.01 -0.03 -0.03 0.00 0.00 0.00 0.00 54.91 54.84 2b64 h ALA 32 Cb 0.97 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.71 2b64 h ALA 32 CO 0.08 0.12 -0.38 0.82 0.00 0.00 0.00 179.25 179.88 2b64 h ILE 33 N 0.19 0.23 -0.48 0.00 2.04 -1.47 -2.21 117.51 115.81 2b64 h ILE 33 Ca 0.05 0.00 -0.00 0.00 1.00 0.00 0.00 64.86 65.91 2b64 h ILE 33 Cb 0.01 0.23 -0.02 0.00 -0.74 0.00 0.00 36.82 36.30 2b64 h ILE 33 CO -0.01 0.00 0.29 0.11 0.00 0.00 0.00 178.15 178.54 2b64 h LYS 34 N -1.02 0.64 -0.12 2.37 1.57 -0.95 -0.54 116.57 118.52 2b64 h LYS 34 Ca -0.10 -0.05 -0.01 0.00 -1.87 0.00 0.00 60.65 58.62 2b64 h LYS 34 Cb 0.79 -0.14 -0.00 0.00 0.08 0.00 0.00 32.23 32.96 2b64 h LYS 34 CO 0.15 0.44 0.04 1.15 -0.57 0.00 0.00 179.45 180.66 2b64 h THR 35 N 0.65 1.18 0.00 -0.16 2.02 0.11 -0.95 112.91 115.76 2b64 h THR 35 Ca 0.17 -0.54 0.00 0.00 0.77 0.00 0.00 66.41 66.81 2b64 h THR 35 Cb -0.03 1.32 0.00 0.00 -1.74 0.00 0.00 68.15 67.70 2b64 h THR 35 CO -0.03 0.16 -0.10 0.18 0.37 0.00 0.00 175.52 176.10 2b64 n LEU 36 N -4.88 0.75 -0.01 2.58 4.77 -0.84 -2.23 117.00 117.14 2b64 n LEU 36 Ca -0.05 0.52 -0.16 0.00 -0.03 0.00 0.00 56.01 56.28 2b64 n LEU 36 Cb 0.14 -0.31 -0.12 0.00 -2.33 0.00 0.00 43.42 40.80 2b64 n LEU 36 CO 0.35 -0.15 0.30 0.77 -1.33 0.00 0.00 177.39 177.33 2b64 h SER 37 N 0.00 0.33 -0.63 -1.43 4.64 -0.88 -0.79 113.55 114.79 2b64 h SER 37 Ca 0.00 -0.82 -0.00 0.00 -0.47 0.00 0.00 61.79 60.50 2b64 h SER 37 Cb 0.72 -0.10 -0.03 0.00 -0.31 0.00 0.00 62.40 62.68 2b64 h SER 37 CO 0.00 1.11 0.39 0.11 -0.87 0.00 0.00 176.83 177.57 2b64 h LYS 38 N -0.41 0.85 -0.81 4.77 1.57 -1.24 -0.00 116.57 121.29 2b64 h LYS 38 Ca -0.06 -0.07 -0.04 0.00 -1.87 0.00 0.00 60.65 58.61 2b64 h LYS 38 Cb 1.19 -0.18 -0.04 0.00 0.08 0.00 0.00 32.23 33.28 2b64 h LYS 38 CO 0.08 0.59 0.35 -0.22 -0.57 0.00 0.00 179.45 179.68 2b64 h LYS 39 N 0.86 1.20 -0.01 3.15 3.64 -1.47 0.12 116.57 124.05 2b64 h LYS 39 Ca 0.23 -0.20 -0.18 0.00 -1.27 0.00 0.00 60.65 59.22 2b64 h LYS 39 Cb -0.05 -0.20 -0.01 0.00 -0.41 0.00 0.00 32.23 31.56 2b64 h LYS 39 CO -0.04 0.95 -0.81 0.00 -2.27 0.00 0.00 179.45 177.28 2b64 h ALA 40 N 1.20 0.61 0.00 5.00 0.00 -1.06 -2.88 119.26 122.12 2b64 h ALA 40 Ca 0.27 -0.68 0.00 0.00 0.00 0.00 0.00 54.91 54.51 2b64 h ALA 40 Cb 0.18 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.89 2b64 h ALA 40 CO -0.03 0.87 0.00 0.28 0.00 0.00 0.00 179.25 180.37 2b64 h VAL 41 N 0.12 0.00 0.01 0.00 2.07 -0.39 -3.17 116.25 114.90 2b64 h VAL 41 Ca -0.03 -0.38 -0.22 0.00 0.82 0.00 0.00 66.70 66.88 2b64 h VAL 41 Cb 1.40 1.24 -0.03 0.00 -1.52 0.00 0.00 31.29 32.38 2b64 h VAL 41 CO 0.12 0.00 -1.21 1.56 0.02 0.00 0.00 177.57 178.06 2b64 h GLN 42 N 0.00 0.02 0.00 1.57 1.08 -0.68 -3.12 115.11 113.98 2b64 h GLN 42 Ca 0.00 -0.03 -0.07 0.00 -1.45 0.00 0.00 58.65 57.10 2b64 h GLN 42 Cb 0.53 0.01 -0.01 0.00 -0.05 0.00 0.00 27.48 27.96 2b64 h GLN 42 CO 0.00 1.02 -0.34 -0.07 -0.95 0.00 0.00 178.83 178.49 2b64 h LEU 43 N -0.93 0.00 0.05 1.46 3.38 -1.62 -0.72 115.31 116.92 2b64 h LEU 43 Ca -0.33 0.00 -0.23 0.00 0.09 0.00 0.00 57.88 57.41 2b64 h LEU 43 Cb 1.33 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 42.06 2b64 h LEU 43 CO -0.18 0.34 -1.10 0.00 0.09 0.00 0.00 178.44 177.60 2b64 h ALA 44 N 1.66 0.26 -0.67 1.53 0.00 -1.72 0.39 119.26 120.72 2b64 h ALA 44 Ca -0.00 -0.91 -0.03 0.00 0.00 0.00 0.00 54.91 53.97 2b64 h ALA 44 Cb 0.77 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 18.44 2b64 h ALA 44 CO 0.04 1.15 0.31 0.37 0.00 0.00 0.00 179.25 181.13 2b64 h GLN 45 N 0.03 0.97 -0.35 0.00 -0.00 -1.35 -1.61 115.11 112.80 2b64 h GLN 45 Ca -0.06 -0.15 -0.09 0.00 -0.00 0.00 0.00 58.65 58.35 2b64 h GLN 45 Cb 1.85 -0.17 -0.02 0.00 0.00 0.00 0.00 27.48 29.14 2b64 h GLN 45 CO 0.16 0.78 -0.16 0.93 0.00 0.00 0.00 178.83 180.53 2b64 h GLU 46 N 0.93 0.64 0.00 1.69 5.08 -1.22 -3.48 114.58 118.23 2b64 h GLU 46 Ca 0.23 -0.22 0.00 0.00 -1.00 0.00 0.00 59.36 58.37 2b64 h GLU 46 Cb 0.14 -0.05 0.00 0.00 0.50 0.00 0.00 28.75 29.34 2b64 h GLU 46 CO -0.03 0.78 0.00 0.41 -1.00 0.00 0.00 179.01 179.17 2b64 n GLY 47 N -0.44 1.92 3.31 -3.84 0.00 -0.61 -5.09 105.19 100.45 2b64 n GLY 47 Ca 0.01 0.00 -0.46 0.00 0.00 0.00 0.00 46.02 45.57 2b64 n GLY 47 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2b64 s LYS 48 N -0.15 3.51 0.00 1.61 3.01 0.13 -4.97 119.74 122.89 2b64 s LYS 48 Ca 0.00 -2.47 -0.01 0.00 -1.01 0.00 0.00 55.97 52.48 2b64 s LYS 48 Cb 0.00 -4.36 -0.01 0.00 -1.01 0.00 0.00 37.83 32.45 2b64 s LYS 48 CO 0.00 -1.28 0.83 0.00 0.51 0.00 0.00 175.35 175.41 2b64 h ALA 49 N 7.71 -0.83 -0.96 5.17 0.00 -1.90 -2.33 119.26 126.13 2b64 h ALA 49 Ca 0.09 -0.01 0.17 0.00 0.00 0.00 0.00 54.91 55.17 2b64 h ALA 49 Cb 1.03 0.01 -0.17 0.00 0.00 0.00 0.00 17.79 18.67 2b64 h ALA 49 CO 0.75 -0.82 -0.32 1.49 0.00 0.00 0.00 179.25 180.35 2b64 h GLU 50 N -0.04 -0.01 0.03 0.00 4.81 -1.93 0.91 114.58 118.35 2b64 h GLU 50 Ca -0.00 0.00 -0.25 0.00 -0.13 0.00 0.00 59.36 58.98 2b64 h GLU 50 Cb 0.03 0.00 -0.03 0.00 0.63 0.00 0.00 28.75 29.38 2b64 h GLU 50 CO 0.01 -0.01 -1.26 1.05 -0.73 0.00 0.00 179.01 178.07 2b64 h GLU 51 N -0.01 0.07 0.00 1.92 4.11 -1.99 -2.92 114.58 115.76 2b64 h GLU 51 Ca 0.39 -0.11 0.00 0.00 0.07 0.00 0.00 59.36 59.71 2b64 h GLU 51 Cb 0.64 0.04 0.00 0.00 0.50 0.00 0.00 28.75 29.93 2b64 h GLU 51 CO -0.97 0.93 0.00 0.00 0.07 0.00 0.00 179.01 179.04 2b64 h ALA 52 N 0.88 1.00 0.00 1.06 0.00 -0.82 -2.28 119.26 119.10 2b64 h ALA 52 Ca -0.12 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.79 2b64 h ALA 52 Cb 1.88 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.67 2b64 h ALA 52 CO 0.13 0.00 -0.43 -0.07 0.00 0.00 0.00 179.25 178.89 2b64 h LEU 53 N 0.00 0.00 0.00 0.00 3.38 -0.86 -2.57 115.31 115.26 2b64 h LEU 53 Ca 0.00 -0.13 -0.03 0.00 0.09 0.00 0.00 57.88 57.81 2b64 h LEU 53 Cb 0.74 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.48 2b64 h LEU 53 CO 0.00 0.07 -0.28 0.11 0.09 0.00 0.00 178.44 178.42 2b64 h LYS 54 N 0.00 0.00 0.04 1.13 1.57 -1.21 -3.10 116.57 115.01 2b64 h LYS 54 Ca 0.00 0.00 -0.29 0.00 -1.87 0.00 0.00 60.65 58.49 2b64 h LYS 54 Cb 0.76 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 33.04 2b64 h LYS 54 CO 0.00 0.11 -1.62 0.82 -0.57 0.00 0.00 179.45 178.20 2b64 h ILE 55 N 0.00 0.99 -0.66 1.86 2.04 -1.55 -3.28 117.51 116.91 2b64 h ILE 55 Ca -0.01 -2.77 0.13 0.00 1.00 0.00 0.00 64.86 63.21 2b64 h ILE 55 Cb 1.10 2.56 -0.09 0.00 -0.74 0.00 0.00 36.82 39.65 2b64 h ILE 55 CO 0.02 0.68 0.18 0.24 0.00 0.00 0.00 178.15 179.26 2b64 h MET 56 N 0.02 0.30 -0.30 2.37 2.86 -1.50 0.46 114.93 119.14 2b64 h MET 56 Ca -0.26 -0.02 -0.03 0.00 -2.06 0.00 0.00 59.70 57.34 2b64 h MET 56 Cb 1.98 -0.07 -0.01 0.00 0.06 0.00 0.00 31.60 33.56 2b64 h MET 56 CO 0.10 0.20 0.08 0.00 1.06 0.00 0.00 176.91 178.35 2b64 h ARG 57 N 0.30 0.48 0.00 1.72 3.08 -1.67 0.28 114.38 118.57 2b64 h ARG 57 Ca 0.35 -0.11 0.00 0.00 0.07 0.00 0.00 59.98 60.29 2b64 h ARG 57 Cb 0.54 -0.07 0.00 0.00 0.08 0.00 0.00 29.97 30.53 2b64 h ARG 57 CO -0.42 0.55 0.00 0.87 -1.07 0.00 0.00 179.97 179.90 2b64 h LYS 58 N 0.33 0.00 0.06 0.04 1.57 -1.54 -0.39 116.57 116.64 2b64 h LYS 58 Ca 0.10 0.00 -0.11 0.00 -1.87 0.00 0.00 60.65 58.77 2b64 h LYS 58 Cb 0.28 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.59 2b64 h LYS 58 CO -0.00 0.00 -0.51 0.00 -0.57 0.00 0.00 179.45 178.37 2b64 h ALA 59 N 2.34 0.01 -0.98 3.86 0.00 0.13 -3.10 119.26 121.52 2b64 h ALA 59 Ca 0.00 -0.69 0.14 0.00 0.00 0.00 0.00 54.91 54.36 2b64 h ALA 59 Cb 0.71 0.15 -0.08 0.00 0.00 0.00 0.00 17.79 18.56 2b64 h ALA 59 CO 0.00 0.26 0.62 1.49 0.00 0.00 0.00 179.25 181.62 2b64 h GLU 60 N -0.73 0.85 0.37 0.00 4.81 -0.36 -1.97 114.58 117.55 2b64 h GLU 60 Ca -0.11 -0.05 -0.00 0.00 -0.13 0.00 0.00 59.36 59.07 2b64 h GLU 60 Cb 1.31 -0.19 -0.03 0.00 0.63 0.00 0.00 28.75 30.47 2b64 h GLU 60 CO 0.03 0.57 -0.42 0.77 -0.73 0.00 0.00 179.01 179.23 2b64 h SER 61 N 0.88 -1.17 -0.04 1.04 0.02 -1.16 -2.05 113.55 111.07 2b64 h SER 61 Ca 0.50 0.10 -0.00 0.00 -0.84 0.00 0.00 61.79 61.55 2b64 h SER 61 Cb 0.62 0.40 -0.00 0.00 0.14 0.00 0.00 62.40 63.55 2b64 h SER 61 CO -0.27 -0.56 0.03 -0.07 -1.14 0.00 0.00 176.83 174.82 2b64 h LEU 62 N -0.82 0.05 -0.13 5.07 3.38 -1.35 0.16 115.31 121.67 2b64 h LEU 62 Ca -0.03 -0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.93 2b64 h LEU 62 Cb 0.75 -0.01 -0.01 0.00 0.09 0.00 0.00 40.66 41.48 2b64 h LEU 62 CO -0.10 0.04 0.05 0.40 0.09 0.00 0.00 178.44 178.93 2b64 h ILE 63 N 0.06 1.15 -0.00 1.22 2.04 -1.20 -2.13 117.51 118.64 2b64 h ILE 63 Ca 0.02 -0.44 0.00 0.00 1.00 0.00 0.00 64.86 65.44 2b64 h ILE 63 Cb 0.00 1.20 0.00 0.00 -0.74 0.00 0.00 36.82 37.28 2b64 h ILE 63 CO -0.00 0.13 0.00 0.47 0.00 0.00 0.00 178.15 178.75 2b64 n ASP 64 N -4.90 0.16 -0.05 1.72 9.92 -0.20 -1.42 116.55 121.77 2b64 n ASP 64 Ca -0.05 -1.09 -0.07 0.00 -0.53 0.00 0.00 54.79 53.05 2b64 n ASP 64 Cb 0.11 -0.00 -0.14 0.00 -0.64 0.00 0.00 41.12 40.45 2b64 n ASP 64 CO 0.00 0.00 0.00 0.29 0.13 0.00 0.00 177.20 177.62 2b64 n LYS 65 N -0.86 0.66 0.10 -1.24 4.76 0.39 -4.45 118.16 117.52 2b64 n LYS 65 Ca 0.23 0.11 -0.24 0.00 -2.87 0.00 0.00 58.31 55.53 2b64 n LYS 65 Cb 0.13 -1.64 -0.15 0.00 -1.84 0.00 0.00 35.03 31.53 2b64 n LYS 65 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 2b64 h ALA 66 N 1.12 0.05 0.00 7.82 0.00 -1.15 -3.31 119.26 123.79 2b64 h ALA 66 Ca -0.38 -1.06 0.00 0.00 0.00 0.00 0.00 54.91 53.47 2b64 h ALA 66 Cb 2.01 0.37 0.00 0.00 0.00 0.00 0.00 17.79 20.18 2b64 h ALA 66 CO 0.05 0.92 0.34 0.00 0.00 0.00 0.00 179.25 180.55 2b64 h ALA 67 N 0.12 1.26 -3.00 0.00 0.00 -1.16 -2.19 119.26 114.29 2b64 h ALA 67 Ca -0.32 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.59 2b64 h ALA 67 Cb 2.13 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.92 2b64 h ALA 67 CO 0.21 -0.26 0.00 1.63 0.00 0.00 0.00 179.25 180.83 2b64 n LYS 68 N -2.30 0.00 0.00 0.00 4.76 -1.25 -4.58 118.16 114.80 2b64 n LYS 68 Ca -0.01 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.43 2b64 n LYS 68 Cb 0.36 -0.21 0.00 0.00 -1.84 0.00 0.00 35.03 33.34 2b64 n LYS 68 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 2b64 n GLY 69 N 1.30 -2.72 0.12 0.72 0.00 -1.25 -4.77 105.19 98.59 2b64 n GLY 69 Ca 0.00 0.35 0.00 0.00 0.00 0.00 0.00 46.02 46.37 2b64 n GLY 69 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2b64 n SER 70 N -0.58 0.00 0.00 1.61 3.41 -1.26 -5.06 113.62 111.74 2b64 n SER 70 Ca 0.00 -0.92 0.00 0.00 -0.26 0.00 0.00 58.87 57.69 2b64 n SER 70 Cb 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 63.95 2b64 n SER 70 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 175.04 175.29 2b64 n THR 71 N 0.00 0.00 -2.27 6.66 -1.04 -1.20 -4.82 114.28 111.61 2b64 n THR 71 Ca 0.00 0.00 -0.38 0.00 -2.04 0.00 0.00 64.05 61.63 2b64 n THR 71 Cb 0.46 -0.52 -0.02 0.00 -1.82 0.00 0.00 70.33 68.43 2b64 n THR 71 CO 0.00 0.00 0.00 -0.76 -0.64 0.00 0.00 175.07 173.67 2b64 s LEU 72 N 0.00 4.18 0.24 -4.42 1.43 -0.83 -4.91 118.68 114.37 2b64 s LEU 72 Ca 0.00 2.37 -0.22 0.00 -1.03 0.00 0.00 54.13 55.24 2b64 s LEU 72 Cb 0.00 -4.03 0.03 0.00 0.03 0.00 0.00 46.19 42.22 2b64 s LEU 72 CO 0.00 -0.71 0.77 -2.28 0.23 0.00 0.00 176.35 174.36 2b64 s HIS 73 N -1.41 -0.20 0.00 0.29 2.46 -1.26 -3.04 115.29 112.12 2b64 s HIS 73 Ca 0.58 -0.21 0.00 0.00 0.47 0.00 0.00 55.06 55.90 2b64 s HIS 73 Cb -0.31 0.68 0.00 0.00 -0.13 0.00 0.00 32.58 32.82 2b64 s HIS 73 CO 0.39 -1.11 0.00 1.63 -2.47 0.00 0.00 174.74 173.18 2b64 n LYS 74 N -0.45 0.00 0.00 2.88 4.76 -1.26 -0.94 118.16 123.15 2b64 n LYS 74 Ca -0.05 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.39 2b64 n LYS 74 Cb 0.60 0.00 0.00 0.00 -1.84 0.00 0.00 35.03 33.79 2b64 n LYS 74 CO 0.00 0.00 0.00 0.09 -1.37 0.00 0.00 177.40 176.12 2b64 n ASN 75 N 6.42 0.39 -0.05 4.39 3.02 -1.26 -4.73 115.26 123.43 2b64 n ASN 75 Ca 0.00 -0.69 -0.09 0.00 -0.03 0.00 0.00 54.58 53.77 2b64 n ASN 75 Cb 0.00 0.42 -0.03 0.00 -0.61 0.00 0.00 39.78 39.56 2b64 n ASN 75 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2b64 h ALA 76 N 0.00 0.26 0.00 5.41 0.00 -1.45 0.25 119.26 123.73 2b64 h ALA 76 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2b64 h ALA 76 Cb 0.05 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.79 2b64 h ALA 76 CO 0.00 -0.30 0.00 0.00 0.00 0.00 0.00 179.25 178.95 2b64 h ALA 77 N 1.11 1.00 0.11 0.00 0.00 -1.86 0.30 119.26 119.92 2b64 h ALA 77 Ca 0.09 0.00 -0.32 0.00 0.00 0.00 0.00 54.91 54.68 2b64 h ALA 77 Cb 0.01 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.79 2b64 h ALA 77 CO -0.06 0.00 -1.63 0.00 0.00 0.00 0.00 179.25 177.56 2b64 h ALA 78 N 2.07 0.33 0.00 0.00 0.00 -1.56 -3.27 119.26 116.83 2b64 h ALA 78 Ca 0.00 -1.19 -0.20 0.00 0.00 0.00 0.00 54.91 53.52 2b64 h ALA 78 Cb 0.33 0.37 -0.03 0.00 0.00 0.00 0.00 17.79 18.46 2b64 h ALA 78 CO 0.00 1.20 -1.10 0.00 0.00 0.00 0.00 179.25 179.35 2b64 h ARG 79 N 0.07 0.00 -0.49 0.00 3.08 -0.17 -1.83 114.38 115.03 2b64 h ARG 79 Ca -0.28 0.00 0.04 0.00 0.07 0.00 0.00 59.98 59.81 2b64 h ARG 79 Cb 2.03 0.00 -0.04 0.00 0.08 0.00 0.00 29.97 32.04 2b64 h ARG 79 CO 0.15 0.70 0.26 0.00 -1.07 0.00 0.00 179.97 180.01 2b64 h ARG 80 N 0.00 0.49 -0.56 0.04 2.47 -1.12 -2.29 114.38 113.42 2b64 h ARG 80 Ca -0.09 -0.03 -0.09 0.00 -1.26 0.00 0.00 59.98 58.52 2b64 h ARG 80 Cb 1.72 -0.11 -0.02 0.00 -1.65 0.00 0.00 29.97 29.91 2b64 h ARG 80 CO 0.10 0.33 -0.00 0.87 0.56 0.00 0.00 179.97 181.82 2b64 h LYS 81 N 0.51 0.97 -0.55 0.04 1.57 -1.60 1.00 116.57 118.51 2b64 h LYS 81 Ca 0.21 -0.29 0.07 0.00 -1.87 0.00 0.00 60.65 58.77 2b64 h LYS 81 Cb 0.10 -0.10 -0.06 0.00 0.08 0.00 0.00 32.23 32.25 2b64 h LYS 81 CO -0.14 0.96 0.23 0.66 -0.57 0.00 0.00 179.45 180.59 2b64 h SER 82 N 0.89 0.28 0.42 0.86 4.64 -1.02 -1.34 113.55 118.28 2b64 h SER 82 Ca 0.16 0.05 -0.27 0.00 -0.47 0.00 0.00 61.79 61.27 2b64 h SER 82 Cb 0.52 0.01 0.01 0.00 -0.31 0.00 0.00 62.40 62.64 2b64 h SER 82 CO 0.03 0.18 -1.19 0.03 -0.87 0.00 0.00 176.83 175.02 2b64 h ARG 83 N 0.44 0.41 -0.79 4.77 3.08 -1.39 -2.82 114.38 118.07 2b64 h ARG 83 Ca 0.26 -0.58 0.12 0.00 0.07 0.00 0.00 59.98 59.85 2b64 h ARG 83 Cb 0.26 0.20 -0.08 0.00 0.08 0.00 0.00 29.97 30.42 2b64 h ARG 83 CO -0.23 1.24 0.41 1.25 -1.07 0.00 0.00 179.97 181.57 2b64 h LEU 84 N 0.16 0.52 -0.54 3.04 7.12 -0.12 -2.80 115.31 122.70 2b64 h LEU 84 Ca -0.14 0.07 0.00 0.00 0.13 0.00 0.00 57.88 57.94 2b64 h LEU 84 Cb 1.87 -0.02 0.00 0.00 -0.53 0.00 0.00 40.66 41.99 2b64 h LEU 84 CO 0.21 0.27 -0.34 1.15 -0.13 0.00 0.00 178.44 179.60 2b64 n MET 85 N -4.85 2.38 -0.00 1.25 0.00 -0.57 -3.97 117.12 111.36 2b64 n MET 85 Ca 0.14 -0.46 -0.17 0.00 0.00 0.00 0.00 57.70 57.21 2b64 n MET 85 Cb 0.34 -1.11 -0.10 0.00 0.00 0.00 0.00 33.22 32.35 2b64 n MET 85 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 175.97 176.04 2b64 h ARG 86 N 0.91 0.45 0.08 3.17 0.11 -1.41 -3.24 114.38 114.44 2b64 h ARG 86 Ca 0.00 -0.45 -0.18 0.00 0.10 0.00 0.00 59.98 59.45 2b64 h ARG 86 Cb 0.36 0.12 0.02 0.00 1.11 0.00 0.00 29.97 31.58 2b64 h ARG 86 CO 0.00 1.10 -0.75 0.87 0.10 0.00 0.00 179.97 181.29 2b64 h LYS 87 N -0.04 0.37 -0.28 0.08 1.57 -1.71 -1.60 116.57 114.97 2b64 h LYS 87 Ca -0.07 -0.50 0.06 0.00 -1.87 0.00 0.00 60.65 58.27 2b64 h LYS 87 Cb 1.30 0.17 -0.06 0.00 0.08 0.00 0.00 32.23 33.71 2b64 h LYS 87 CO 0.12 1.19 -0.12 0.28 -0.57 0.00 0.00 179.45 180.35 2b64 h VAL 88 N -0.20 0.61 -0.71 0.50 2.07 -1.75 0.67 116.25 117.44 2b64 h VAL 88 Ca -0.11 0.00 0.07 0.00 0.82 0.00 0.00 66.70 67.47 2b64 h VAL 88 Cb 1.51 0.61 -0.06 0.00 -1.52 0.00 0.00 31.29 31.83 2b64 h VAL 88 CO 0.14 0.00 0.40 -0.09 0.02 0.00 0.00 177.57 178.04 2b64 h ARG 89 N -0.08 0.70 0.00 1.57 2.43 -1.61 0.70 114.38 118.09 2b64 h ARG 89 Ca 0.14 -0.04 -0.04 0.00 -0.81 0.00 0.00 59.98 59.23 2b64 h ARG 89 Cb 0.29 -0.16 -0.01 0.00 -0.42 0.00 0.00 29.97 29.68 2b64 h ARG 89 CO -0.33 0.46 -0.20 0.37 -1.51 0.00 0.00 179.97 178.76 2b64 h GLN 90 N 0.72 0.00 0.00 0.20 5.75 -0.07 -2.63 115.11 119.08 2b64 h GLN 90 Ca 0.32 0.00 -0.04 0.00 -0.15 0.00 0.00 58.65 58.78 2b64 h GLN 90 Cb 0.23 0.00 -0.01 0.00 1.07 0.00 0.00 27.48 28.77 2b64 h GLN 90 CO -0.20 0.20 -0.89 -0.07 -2.65 0.00 0.00 178.83 175.22 2b64 h LEU 91 N 0.00 0.00 -0.08 -2.39 3.38 0.16 -3.18 115.31 113.21 2b64 h LEU 91 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 2b64 h LEU 91 Cb 0.40 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.15 2b64 h LEU 91 CO 0.03 0.14 0.00 -0.07 0.09 0.00 0.00 178.44 178.63 2b64 h LEU 92 N 0.00 0.00 -5.11 1.67 3.38 -0.64 -3.38 115.31 111.23 2b64 h LEU 92 Ca -0.03 0.00 -0.42 0.00 0.09 0.00 0.00 57.88 57.52 2b64 h LEU 92 Cb 1.14 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.90 2b64 h LEU 92 CO 0.01 0.00 2.51 -0.62 0.09 0.00 0.00 178.44 180.43 2b64 n GLU 93 N -2.49 2.45 -2.65 1.13 1.02 -1.01 -2.57 120.64 116.51 2b64 n GLU 93 Ca 0.05 -1.55 -0.10 0.00 -0.02 0.00 0.00 57.16 55.54 2b64 n GLU 93 Cb 0.44 -2.45 0.03 0.00 -0.02 0.00 0.00 31.44 29.44 2b64 n GLU 93 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2b64 n ALA 94 N 3.76 3.54 -3.20 0.62 0.00 -1.26 -4.96 120.51 119.01 2b64 n ALA 94 Ca 0.52 -3.24 -0.14 0.00 0.00 0.00 0.00 53.44 50.58 2b64 n ALA 94 Cb 0.25 -0.85 0.01 0.00 0.00 0.00 0.00 19.45 18.86 2b64 n ALA 94 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2b64 n ALA 95 N -0.24 -2.69 0.01 0.00 0.00 -1.25 -5.00 120.51 111.35 2b64 n ALA 95 Ca 0.14 0.42 0.00 0.00 0.00 0.00 0.00 53.44 54.00 2b64 n ALA 95 Cb 0.80 -2.29 0.00 0.00 0.00 0.00 0.00 19.45 17.96 2b64 n ALA 95 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2b64 n GLY 96 N -0.95 -0.03 1.72 0.00 0.00 -1.06 -5.16 105.19 99.71 2b64 n GLY 96 Ca -0.03 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.99 2b64 n GLY 96 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2b64 n ALA 97 N -2.77 -2.37 -1.51 4.61 0.00 -1.25 -4.73 120.51 112.49 2b64 n ALA 97 Ca 0.00 0.31 -0.35 0.00 0.00 0.00 0.00 53.44 53.41 2b64 n ALA 97 Cb 0.15 -1.02 -0.13 0.00 0.00 0.00 0.00 19.45 18.44 2b64 n ALA 97 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 2b64 n PRO 98 N 1.21 0.25 -0.08 0.00 -0.04 -1.26 -4.79 135.00 130.28 2b64 n PRO 98 Ca 0.00 -0.06 -0.10 0.00 -0.04 0.00 0.00 63.50 63.31 2b64 n PRO 98 Cb 0.00 -1.95 -0.02 0.00 -0.04 0.00 0.00 33.50 31.49 2b64 n PRO 98 CO 0.00 0.00 0.00 -0.07 -0.04 0.00 0.00 175.50 175.39 2b64 h LEU 99 N 14.07 0.36 -7.49 1.53 3.38 -1.87 -3.14 115.31 122.14 2b64 h LEU 99 Ca -0.07 -0.09 -0.66 0.00 0.09 0.00 0.00 57.88 57.15 2b64 h LEU 99 Cb 1.25 -0.09 -0.39 0.00 0.09 0.00 0.00 40.66 41.53 2b64 h LEU 99 CO 1.36 0.34 -0.53 -0.63 0.09 0.00 0.00 178.44 179.07 2b64 s ILE 100 N -5.86 3.02 -0.90 1.22 1.01 -1.26 -5.00 121.20 113.42 2b64 s ILE 100 Ca -0.13 -3.07 -0.21 0.00 0.00 0.00 0.00 60.65 57.24 2b64 s ILE 100 Cb 0.09 -3.04 -0.12 0.00 0.01 0.00 0.00 42.46 39.39 2b64 s ILE 100 CO 0.72 -0.81 1.97 0.61 0.00 0.00 0.00 174.94 177.42 2b64 n GLY 101 N 3.39 2.74 0.00 6.18 0.00 -1.19 -4.73 105.19 111.58 2b64 n GLY 101 Ca 0.06 -1.29 0.00 0.00 0.00 0.00 0.00 46.02 44.79 2b64 n GLY 101 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2b64 n GLY 102 N 4.55 1.14 0.08 -0.02 0.00 -1.26 -4.24 105.19 105.43 2b64 n GLY 102 Ca 0.50 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.55 2b64 n GLY 102 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2b64 n GLY 103 N 2.49 -0.49 3.28 -0.02 0.00 -1.26 -4.38 105.19 104.82 2b64 n GLY 103 Ca 0.00 0.07 -0.33 0.00 0.00 0.00 0.00 46.02 45.75 2b64 n GLY 103 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2b64 s LEU 104 N -3.39 2.53 -0.40 0.99 1.43 -1.26 -5.04 118.68 113.53 2b64 s LEU 104 Ca -0.01 -0.45 -0.28 0.00 -1.03 0.00 0.00 54.13 52.36 2b64 s LEU 104 Cb 0.02 -1.58 0.02 0.00 0.03 0.00 0.00 46.19 44.68 2b64 s LEU 104 CO 0.06 0.09 1.06 -0.55 0.23 0.00 0.00 176.35 177.24 2b64 s SER 105 N 0.79 6.73 0.00 2.29 0.15 -1.26 -4.72 113.70 117.68 2b64 s SER 105 Ca -0.05 0.65 0.00 0.00 0.70 0.00 0.00 55.95 57.24 2b64 s SER 105 Cb -0.15 -2.52 0.00 0.00 -1.71 0.00 0.00 66.02 61.63 2b64 s SER 105 CO 0.00 -1.04 0.40 0.00 1.20 0.00 0.00 173.24 173.81