#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1n34 n ASN 9 N 0.00 -6.38 -4.55 2.89 3.02 -1.26 -4.76 115.26 104.22 1n34 n ASN 9 Ca 0.00 0.89 -0.27 0.00 -0.03 0.00 0.00 54.58 55.17 1n34 n ASN 9 Cb 0.00 -3.55 -0.05 0.00 -0.61 0.00 0.00 39.78 35.57 1n34 n ASN 9 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 1n34 s LEU 10 N -0.33 3.18 0.41 3.41 2.01 -1.26 -4.72 118.68 121.39 1n34 s LEU 10 Ca 0.00 0.47 0.26 0.00 0.01 0.00 0.00 54.13 54.87 1n34 s LEU 10 Cb 0.00 -2.53 1.41 0.00 0.01 0.00 0.00 46.19 45.08 1n34 s LEU 10 CO 0.00 -3.18 1.78 0.28 1.01 0.00 0.00 176.35 176.24 1n34 h SER 11 N 15.90 0.00 0.40 2.29 0.02 -2.05 1.15 113.55 131.25 1n34 h SER 11 Ca -0.13 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.82 1n34 h SER 11 Cb 1.14 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.68 1n34 h SER 11 CO 1.12 0.00 0.00 0.00 -1.14 0.00 0.00 176.83 176.81 1n34 n ALA 12 N -1.82 1.56 0.16 3.77 0.00 -1.26 -2.22 120.51 120.69 1n34 n ALA 12 Ca -0.02 -0.04 0.07 0.00 0.00 0.00 0.00 53.44 53.45 1n34 n ALA 12 Cb 0.10 -1.19 0.38 0.00 0.00 0.00 0.00 19.45 18.74 1n34 n ALA 12 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 177.50 178.97 1n34 n LEU 13 N -1.48 0.36 -0.36 0.00 -0.00 0.40 -1.95 117.00 113.97 1n34 n LEU 13 Ca 0.03 0.58 0.02 0.00 -0.00 0.00 0.00 56.01 56.64 1n34 n LEU 13 Cb 0.14 -0.55 0.08 0.00 -0.00 0.00 0.00 43.42 43.09 1n34 n LEU 13 CO 0.11 -0.71 0.60 2.29 -0.00 0.00 0.00 177.39 179.68 1n34 n LYS 14 N -2.07 -0.16 -0.29 1.47 2.85 -0.94 0.16 118.16 119.18 1n34 n LYS 14 Ca -0.01 1.49 0.26 0.00 -1.05 0.00 0.00 58.31 59.00 1n34 n LYS 14 Cb 0.27 -2.22 0.44 0.00 -0.65 0.00 0.00 35.03 32.87 1n34 n LYS 14 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 177.40 177.89 1n34 n ARG 15 N -5.49 -0.03 0.26 -1.58 5.12 -0.82 0.26 116.66 114.38 1n34 n ARG 15 Ca 0.12 0.85 -0.10 0.00 -1.93 0.00 0.00 57.85 56.79 1n34 n ARG 15 Cb 0.43 -1.65 -0.05 0.00 -1.16 0.00 0.00 32.46 30.03 1n34 n ARG 15 CO 0.00 0.00 0.00 1.25 -1.93 0.00 0.00 177.63 176.95 1n34 h HIS 16 N 0.00 -0.62 -0.98 -1.55 2.76 0.14 1.84 115.15 116.73 1n34 h HIS 16 Ca 0.58 -0.01 0.26 0.00 -2.20 0.00 0.00 60.37 59.00 1n34 h HIS 16 Cb 1.81 0.21 -0.18 0.00 1.55 0.00 0.00 27.41 30.79 1n34 h HIS 16 CO -0.00 -0.39 0.00 0.00 -1.30 0.00 0.00 177.93 176.24 1n34 h ARG 17 N -0.79 0.01 0.25 5.26 3.08 0.35 0.16 114.38 122.70 1n34 h ARG 17 Ca -0.07 -0.00 -0.00 0.00 0.07 0.00 0.00 59.98 59.98 1n34 h ARG 17 Cb 0.52 -0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.54 1n34 h ARG 17 CO 0.11 0.01 -0.36 1.96 -1.07 0.00 0.00 179.97 180.62 1n34 h GLN 18 N 0.01 -0.62 -0.26 0.04 1.08 0.13 -2.68 115.11 112.81 1n34 h GLN 18 Ca 0.58 0.04 0.03 0.00 -1.45 0.00 0.00 58.65 57.85 1n34 h GLN 18 Cb 1.17 0.14 -0.04 0.00 -0.05 0.00 0.00 27.48 28.71 1n34 h GLN 18 CO -0.93 -0.41 -0.23 0.66 -0.95 0.00 0.00 178.83 176.98 1n34 h SER 19 N -0.64 -0.79 -0.35 1.46 4.64 0.56 -1.91 113.55 116.52 1n34 h SER 19 Ca -0.03 0.11 0.03 0.00 -0.47 0.00 0.00 61.79 61.43 1n34 h SER 19 Cb 0.58 0.34 -0.04 0.00 -0.31 0.00 0.00 62.40 62.96 1n34 h SER 19 CO -0.10 -0.13 -0.21 0.18 -0.87 0.00 0.00 176.83 175.70 1n34 n LEU 20 N -3.82 -0.37 -0.26 5.97 4.77 -0.51 0.88 117.00 123.67 1n34 n LEU 20 Ca -0.00 0.97 -0.06 0.00 -0.03 0.00 0.00 56.01 56.89 1n34 n LEU 20 Cb 0.12 -0.25 -0.00 0.00 -2.33 0.00 0.00 43.42 40.96 1n34 n LEU 20 CO -0.03 -0.68 0.59 0.11 -1.33 0.00 0.00 177.39 176.06 1n34 h LYS 21 N 0.00 -0.13 0.17 3.23 1.57 -1.04 -1.45 116.57 118.92 1n34 h LYS 21 Ca 0.06 0.01 0.02 0.00 -1.87 0.00 0.00 60.65 58.86 1n34 h LYS 21 Cb 0.14 0.03 -0.04 0.00 0.08 0.00 0.00 32.23 32.45 1n34 h LYS 21 CO -0.33 -0.09 -0.34 0.00 -0.57 0.00 0.00 179.45 178.12 1n34 h ARG 22 N -0.14 -0.58 -0.05 3.15 3.08 0.12 -1.09 114.38 118.87 1n34 h ARG 22 Ca 0.24 0.04 0.01 0.00 0.07 0.00 0.00 59.98 60.33 1n34 h ARG 22 Cb 0.56 0.13 -0.01 0.00 0.08 0.00 0.00 29.97 30.73 1n34 h ARG 22 CO -0.77 -0.39 -0.04 -0.09 -1.07 0.00 0.00 179.97 177.62 1n34 h ARG 23 N -0.60 -0.01 -0.98 0.04 2.43 0.72 2.35 114.38 118.33 1n34 h ARG 23 Ca 0.02 0.00 0.33 0.00 -0.81 0.00 0.00 59.98 59.52 1n34 h ARG 23 Cb 0.61 0.00 -0.16 0.00 -0.42 0.00 0.00 29.97 30.00 1n34 h ARG 23 CO -0.17 -0.01 0.47 -0.07 -1.51 0.00 0.00 179.97 178.69 1n34 h LEU 24 N -0.01 0.31 0.10 3.80 3.38 -1.41 0.93 115.31 122.42 1n34 h LEU 24 Ca 0.01 0.22 -0.00 0.00 0.09 0.00 0.00 57.88 58.19 1n34 h LEU 24 Cb 0.03 0.22 0.00 0.00 0.09 0.00 0.00 40.66 41.00 1n34 h LEU 24 CO -0.05 -0.24 -0.06 -0.09 0.09 0.00 0.00 178.44 178.09 1n34 h ARG 25 N 0.19 -0.14 -0.18 1.13 9.65 0.41 -2.18 114.38 123.27 1n34 h ARG 25 Ca 0.73 0.01 0.02 0.00 -1.10 0.00 0.00 59.98 59.64 1n34 h ARG 25 Cb 1.72 0.03 -0.03 0.00 -1.39 0.00 0.00 29.97 30.30 1n34 h ARG 25 CO -0.68 -0.09 -0.19 -0.91 2.80 0.00 0.00 179.97 180.89 1n34 h ASN 26 N -0.15 -0.65 -0.07 -3.80 2.35 0.64 -1.76 115.58 112.15 1n34 h ASN 26 Ca -0.01 0.09 0.01 0.00 -0.55 0.00 0.00 56.30 55.83 1n34 h ASN 26 Cb 0.11 0.27 -0.01 0.00 0.05 0.00 0.00 38.32 38.75 1n34 h ASN 26 CO 0.02 -0.12 -0.04 1.17 -1.65 0.00 0.00 177.43 176.81 1n34 n LYS 27 N -3.63 -0.03 -0.19 0.81 4.81 0.29 -0.42 118.16 119.79 1n34 n LYS 27 Ca -0.01 0.75 0.00 0.00 -0.87 0.00 0.00 58.31 58.18 1n34 n LYS 27 Cb 0.11 -1.12 0.09 0.00 0.02 0.00 0.00 35.03 34.13 1n34 n LYS 27 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1n34 h ALA 28 N -0.60 0.60 -0.72 3.14 0.00 -1.23 0.13 119.26 120.57 1n34 h ALA 28 Ca 0.01 0.16 0.12 0.00 0.00 0.00 0.00 54.91 55.21 1n34 h ALA 28 Cb 0.03 0.27 -0.09 0.00 0.00 0.00 0.00 17.79 18.00 1n34 h ALA 28 CO -0.07 -0.37 0.30 -0.22 0.00 0.00 0.00 179.25 178.90 1n34 h LYS 29 N 0.15 0.46 0.07 0.00 3.64 0.18 0.95 116.57 122.03 1n34 h LYS 29 Ca 0.30 -0.03 -0.00 0.00 -1.27 0.00 0.00 60.65 59.65 1n34 h LYS 29 Cb 0.48 -0.10 0.00 0.00 -0.41 0.00 0.00 32.23 32.19 1n34 h LYS 29 CO -0.47 0.31 -0.03 -0.22 -2.27 0.00 0.00 179.45 176.77 1n34 h LYS 30 N 0.48 -0.09 -0.94 1.90 3.64 0.27 -3.20 116.57 118.63 1n34 h LYS 30 Ca 0.38 0.01 0.38 0.00 -1.27 0.00 0.00 60.65 60.15 1n34 h LYS 30 Cb 0.53 0.02 -0.17 0.00 -0.41 0.00 0.00 32.23 32.20 1n34 h LYS 30 CO -0.36 -0.06 0.46 -1.13 -2.27 0.00 0.00 179.45 176.09 1n34 n SER 31 N -2.63 0.28 -0.05 4.20 3.41 0.33 0.15 113.62 119.32 1n34 n SER 31 Ca -0.01 1.57 -0.02 0.00 -0.26 0.00 0.00 58.87 60.15 1n34 n SER 31 Cb 0.04 -0.74 -0.01 0.00 -0.26 0.00 0.00 64.21 63.23 1n34 n SER 31 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1n34 h ALA 32 N 1.88 -0.15 -0.93 7.33 0.00 -0.84 -2.30 119.26 124.26 1n34 h ALA 32 Ca 0.78 0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.70 1n34 h ALA 32 Cb 2.02 0.98 0.00 0.00 0.00 0.00 0.00 17.79 20.78 1n34 h ALA 32 CO -0.74 -0.20 0.00 -0.89 0.00 0.00 0.00 179.25 177.42 1n34 n ILE 33 N -3.24 0.00 0.00 0.00 5.41 0.41 -2.09 119.36 119.85 1n34 n ILE 33 Ca 0.00 1.23 0.00 0.00 1.00 0.00 0.00 62.75 64.98 1n34 n ILE 33 Cb 0.04 -1.70 0.00 0.00 -0.71 0.00 0.00 39.64 37.27 1n34 n ILE 33 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 176.55 176.84 1n34 n LYS 34 N -2.27 0.00 -0.40 0.38 5.02 -0.91 0.16 118.16 120.14 1n34 n LYS 34 Ca 0.00 0.32 0.32 0.00 -2.02 0.00 0.00 58.31 56.94 1n34 n LYS 34 Cb 0.00 -0.55 0.60 0.00 -0.02 0.00 0.00 35.03 35.06 1n34 n LYS 34 CO 0.00 0.00 0.00 1.79 -0.52 0.00 0.00 177.40 178.67 1n34 h THR 35 N 0.00 0.21 0.14 -0.18 1.35 -1.32 1.77 112.91 114.88 1n34 h THR 35 Ca 0.00 -0.06 -0.01 0.00 -0.55 0.00 0.00 66.41 65.80 1n34 h THR 35 Cb 0.00 0.03 0.00 0.00 -1.73 0.00 0.00 68.15 66.45 1n34 h THR 35 CO 0.00 0.03 -0.07 0.25 -0.25 0.00 0.00 175.52 175.48 1n34 h LEU 36 N 0.16 -0.16 -0.52 3.87 7.12 0.12 -2.85 115.31 123.05 1n34 h LEU 36 Ca 0.77 -0.39 0.10 0.00 0.13 0.00 0.00 57.88 58.49 1n34 h LEU 36 Cb 2.25 0.04 -0.08 0.00 -0.53 0.00 0.00 40.66 42.34 1n34 h LEU 36 CO -0.44 0.39 0.05 0.28 -0.13 0.00 0.00 178.44 178.58 1n34 h SER 37 N -0.80 -0.13 -0.00 1.25 0.02 1.03 0.17 113.55 115.09 1n34 h SER 37 Ca -0.02 0.11 0.00 0.00 -0.84 0.00 0.00 61.79 61.05 1n34 h SER 37 Cb 0.54 0.18 -0.01 0.00 0.14 0.00 0.00 62.40 63.25 1n34 h SER 37 CO 0.03 -0.04 -0.09 0.11 -1.14 0.00 0.00 176.83 175.70 1n34 h LYS 38 N 0.17 -0.11 -0.63 3.45 1.57 0.21 -1.08 116.57 120.14 1n34 h LYS 38 Ca 0.27 0.01 0.06 0.00 -1.87 0.00 0.00 60.65 59.11 1n34 h LYS 38 Cb 0.40 0.03 -0.08 0.00 0.08 0.00 0.00 32.23 32.65 1n34 h LYS 38 CO -0.40 -0.07 -0.37 1.17 -0.57 0.00 0.00 179.45 179.20 1n34 n LYS 39 N -3.01 -0.28 -0.36 3.15 4.81 -0.75 -0.23 118.16 121.49 1n34 n LYS 39 Ca -0.01 1.07 0.06 0.00 -0.87 0.00 0.00 58.31 58.55 1n34 n LYS 39 Cb 0.07 -1.58 0.14 0.00 0.02 0.00 0.00 35.03 33.68 1n34 n LYS 39 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1n34 h ALA 40 N 0.20 0.64 0.17 3.14 0.00 0.15 -2.42 119.26 121.14 1n34 h ALA 40 Ca 0.10 0.38 -0.25 0.00 0.00 0.00 0.00 54.91 55.15 1n34 h ALA 40 Cb 0.26 0.75 0.02 0.00 0.00 0.00 0.00 17.79 18.83 1n34 h ALA 40 CO -0.59 -0.39 -1.11 0.82 0.00 0.00 0.00 179.25 177.98 1n34 h ILE 41 N -0.00 1.37 -1.39 0.00 2.04 0.63 -3.26 117.51 116.91 1n34 h ILE 41 Ca 0.47 -2.57 0.40 0.00 1.00 0.00 0.00 64.86 64.17 1n34 h ILE 41 Cb 0.72 3.09 -0.07 0.00 -0.74 0.00 0.00 36.82 39.82 1n34 h ILE 41 CO -1.02 0.75 0.98 -0.61 0.00 0.00 0.00 178.15 178.25 1n34 h GLN 42 N -0.20 0.04 -0.52 2.37 -0.00 -0.56 2.07 115.11 118.32 1n34 h GLN 42 Ca -0.20 -0.00 -0.09 0.00 -0.00 0.00 0.00 58.65 58.35 1n34 h GLN 42 Cb 1.83 -0.01 -0.02 0.00 0.00 0.00 0.00 27.48 29.28 1n34 h GLN 42 CO 0.18 0.03 -0.03 -0.07 0.00 0.00 0.00 178.83 178.94 1n34 h LEU 43 N 0.04 0.92 -0.14 -2.39 3.38 -1.50 -3.24 115.31 112.39 1n34 h LEU 43 Ca 0.69 -0.32 0.02 0.00 0.09 0.00 0.00 57.88 58.35 1n34 h LEU 43 Cb 2.61 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 43.08 1n34 h LEU 43 CO -0.07 1.02 -0.16 0.00 0.09 0.00 0.00 178.44 179.32 1n34 h ALA 44 N 0.93 -0.39 -0.80 1.53 0.00 0.33 0.37 119.26 121.23 1n34 h ALA 44 Ca 0.14 0.00 0.15 0.00 0.00 0.00 0.00 54.91 55.21 1n34 h ALA 44 Cb 0.57 0.87 -0.15 0.00 0.00 0.00 0.00 17.79 19.08 1n34 h ALA 44 CO 0.03 -0.47 -0.22 1.04 0.00 0.00 0.00 179.25 179.63 1n34 n GLN 45 N -3.48 -0.09 0.19 0.00 6.02 -1.20 0.43 117.38 119.25 1n34 n GLN 45 Ca -0.01 1.24 -0.12 0.00 -0.01 0.00 0.00 57.00 58.10 1n34 n GLN 45 Cb 0.09 -1.85 -0.06 0.00 1.02 0.00 0.00 30.24 29.44 1n34 n GLN 45 CO 0.00 0.00 0.00 0.93 -1.01 0.00 0.00 177.06 176.98 1n34 h GLU 46 N 0.00 -0.63 0.00 -1.09 4.39 -0.83 -3.47 114.58 112.94 1n34 h GLU 46 Ca 0.36 0.04 0.00 0.00 0.34 0.00 0.00 59.36 60.11 1n34 h GLU 46 Cb 0.56 0.14 0.00 0.00 -0.10 0.00 0.00 28.75 29.36 1n34 h GLU 46 CO -0.82 -0.42 0.00 0.41 -1.16 0.00 0.00 179.01 177.02 1n34 n GLY 47 N -1.36 1.33 0.46 -3.84 0.00 0.17 -4.97 105.19 96.97 1n34 n GLY 47 Ca -0.08 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.94 1n34 n GLY 47 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1n34 n LYS 48 N -0.15 0.01 0.00 1.61 4.76 -1.18 -4.85 118.16 118.36 1n34 n LYS 48 Ca 0.00 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.44 1n34 n LYS 48 Cb 0.00 -1.00 0.00 0.00 -1.84 0.00 0.00 35.03 32.19 1n34 n LYS 48 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1n34 n ALA 49 N 0.42 0.00 -1.00 7.82 0.00 -1.26 -3.54 120.51 122.95 1n34 n ALA 49 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1n34 n ALA 49 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 1n34 n ALA 49 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 1n34 n GLU 50 N 9.42 0.00 -0.13 0.00 2.13 -1.26 -3.50 120.64 127.29 1n34 n GLU 50 Ca 0.00 0.00 0.12 0.00 0.66 0.00 0.00 57.16 57.94 1n34 n GLU 50 Cb 0.00 -0.50 0.22 0.00 0.27 0.00 0.00 31.44 31.42 1n34 n GLU 50 CO 0.00 0.00 0.00 -0.85 -0.41 0.00 0.00 177.13 175.87 1n34 n GLU 51 N -0.00 -0.02 -0.31 5.31 0.28 -1.23 0.43 120.64 125.10 1n34 n GLU 51 Ca 0.00 0.47 0.11 0.00 -0.16 0.00 0.00 57.16 57.58 1n34 n GLU 51 Cb 0.00 -0.87 0.28 0.00 1.43 0.00 0.00 31.44 32.29 1n34 n GLU 51 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 1n34 h ALA 52 N 0.66 1.44 0.06 -1.84 0.00 -1.65 0.43 119.26 118.35 1n34 h ALA 52 Ca 0.30 0.11 -0.00 0.00 0.00 0.00 0.00 54.91 55.32 1n34 h ALA 52 Cb 0.85 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.67 1n34 h ALA 52 CO -0.24 -0.19 -0.03 -0.07 0.00 0.00 0.00 179.25 178.73 1n34 h LEU 53 N 0.56 -0.06 -0.70 0.00 -0.00 0.87 -2.63 115.31 113.35 1n34 h LEU 53 Ca 0.53 -0.52 0.16 0.00 -0.00 0.00 0.00 57.88 58.06 1n34 h LEU 53 Cb 0.88 0.02 -0.13 0.00 -0.00 0.00 0.00 40.66 41.43 1n34 h LEU 53 CO -0.43 0.65 -0.09 1.17 -0.00 0.00 0.00 178.44 179.73 1n34 n LYS 54 N -4.77 -0.06 0.19 1.13 4.81 -0.55 0.65 118.16 119.56 1n34 n LYS 54 Ca -0.07 1.07 -0.07 0.00 -0.87 0.00 0.00 58.31 58.37 1n34 n LYS 54 Cb 0.28 -1.65 -0.04 0.00 0.02 0.00 0.00 35.03 33.65 1n34 n LYS 54 CO 0.00 0.00 0.00 0.82 1.17 0.00 0.00 177.40 179.39 1n34 h ILE 55 N 0.00 0.00 -0.47 3.15 2.04 -0.25 -3.02 117.51 118.96 1n34 h ILE 55 Ca 0.37 -0.09 0.19 0.00 1.00 0.00 0.00 64.86 66.33 1n34 h ILE 55 Cb 0.67 0.00 -0.07 0.00 -0.74 0.00 0.00 36.82 36.67 1n34 h ILE 55 CO -0.69 0.00 0.27 0.80 0.00 0.00 0.00 178.15 178.52 1n34 n MET 56 N -3.56 -0.02 0.00 2.37 1.56 0.21 -0.11 117.12 117.56 1n34 n MET 56 Ca -0.06 0.59 0.00 0.00 -0.27 0.00 0.00 57.70 57.96 1n34 n MET 56 Cb 0.19 -1.08 0.00 0.00 2.15 0.00 0.00 33.22 34.48 1n34 n MET 56 CO 0.00 0.00 0.00 0.54 -0.73 0.00 0.00 175.97 175.78 1n34 n ARG 57 N -3.89 0.00 -0.55 2.12 1.74 -0.28 0.98 116.66 116.78 1n34 n ARG 57 Ca 0.17 0.44 0.44 0.00 -0.77 0.00 0.00 57.85 58.14 1n34 n ARG 57 Cb 0.59 -1.28 0.73 0.00 -1.02 0.00 0.00 32.46 31.48 1n34 n ARG 57 CO 0.00 0.00 0.00 0.87 -1.52 0.00 0.00 177.63 176.98 1n34 h LYS 58 N 0.00 0.01 0.00 5.56 1.57 -0.45 0.94 116.57 124.20 1n34 h LYS 58 Ca 0.00 -0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1n34 h LYS 58 Cb 0.00 -0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.31 1n34 h LYS 58 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 179.45 178.88 1n34 n ALA 59 N -2.65 0.00 -0.18 3.86 0.00 0.01 -0.93 120.51 120.62 1n34 n ALA 59 Ca 0.42 0.00 -0.01 0.00 0.00 0.00 0.00 53.44 53.85 1n34 n ALA 59 Cb 1.71 0.00 0.01 0.00 0.00 0.00 0.00 19.45 21.17 1n34 n ALA 59 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 1n34 n GLU 60 N -0.41 -0.12 0.00 0.00 2.13 0.27 0.49 120.64 123.01 1n34 n GLU 60 Ca 0.00 0.70 0.00 0.00 0.66 0.00 0.00 57.16 58.52 1n34 n GLU 60 Cb 0.00 -1.03 0.00 0.00 0.27 0.00 0.00 31.44 30.68 1n34 n GLU 60 CO 0.00 0.00 0.00 0.45 -0.41 0.00 0.00 177.13 177.17 1n34 n SER 61 N -4.65 0.00 -0.12 4.31 2.88 0.29 -0.37 113.62 115.95 1n34 n SER 61 Ca 0.04 0.38 -0.03 0.00 -1.33 0.00 0.00 58.87 57.93 1n34 n SER 61 Cb 0.17 0.00 -0.03 0.00 -0.75 0.00 0.00 64.21 63.60 1n34 n SER 61 CO 0.00 0.00 0.00 -0.11 -1.23 0.00 0.00 175.04 173.70 1n34 n LEU 62 N -0.53 -0.31 -0.18 2.46 0.00 0.62 0.15 117.00 119.20 1n34 n LEU 62 Ca 0.00 0.54 -0.07 0.00 0.00 0.00 0.00 56.01 56.49 1n34 n LEU 62 Cb 0.00 -0.08 -0.06 0.00 0.00 0.00 0.00 43.42 43.29 1n34 n LEU 62 CO 0.00 -0.44 0.49 0.40 0.00 0.00 0.00 177.39 177.84 1n34 h ILE 63 N 0.00 0.00 -0.43 1.96 2.04 0.27 2.71 117.51 124.06 1n34 h ILE 63 Ca 0.05 0.00 0.04 0.00 1.00 0.00 0.00 64.86 65.95 1n34 h ILE 63 Cb 0.12 0.00 -0.04 0.00 -0.74 0.00 0.00 36.82 36.16 1n34 h ILE 63 CO -0.28 0.00 0.19 -0.78 0.00 0.00 0.00 178.15 177.28 1n34 h ASP 64 N -0.07 0.25 -0.59 1.72 1.82 0.44 0.60 116.42 120.59 1n34 h ASP 64 Ca 0.07 0.03 0.12 0.00 -0.39 0.00 0.00 57.03 56.87 1n34 h ASP 64 Cb 0.26 -0.01 -0.10 0.00 0.68 0.00 0.00 39.33 40.16 1n34 h ASP 64 CO -0.46 0.18 -0.04 0.11 -1.61 0.00 0.00 179.24 177.42 1n34 h LYS 65 N 0.39 0.08 -0.30 0.28 1.57 0.37 0.33 116.57 119.29 1n34 h LYS 65 Ca 0.19 -0.00 0.06 0.00 -1.87 0.00 0.00 60.65 59.03 1n34 h LYS 65 Cb 0.13 -0.02 -0.08 0.00 0.08 0.00 0.00 32.23 32.34 1n34 h LYS 65 CO -0.16 0.05 -0.38 0.00 -0.57 0.00 0.00 179.45 178.39 1n34 h ALA 66 N 1.55 -0.39 -0.06 3.86 0.00 0.67 0.55 119.26 125.44 1n34 h ALA 66 Ca 0.30 0.05 0.02 0.00 0.00 0.00 0.00 54.91 55.28 1n34 h ALA 66 Cb 0.48 0.77 -0.00 0.00 0.00 0.00 0.00 17.79 19.04 1n34 h ALA 66 CO -0.53 -0.83 0.63 0.00 0.00 0.00 0.00 179.25 178.52 1n34 h ALA 67 N 0.44 1.70 -0.32 0.00 0.00 0.14 0.39 119.26 121.62 1n34 h ALA 67 Ca 0.13 -0.00 -0.04 0.00 0.00 0.00 0.00 54.91 54.99 1n34 h ALA 67 Cb 0.58 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.35 1n34 h ALA 67 CO -0.49 -0.67 0.01 -0.22 0.00 0.00 0.00 179.25 177.89 1n34 h LYS 68 N 0.00 0.48 -4.70 0.00 1.63 0.10 -3.28 116.57 110.80 1n34 h LYS 68 Ca 0.03 -0.09 -0.46 0.00 -0.85 0.00 0.00 60.65 59.27 1n34 h LYS 68 Cb 1.30 -0.07 -0.31 0.00 -0.60 0.00 0.00 32.23 32.54 1n34 h LYS 68 CO -0.00 0.50 -0.80 0.20 -3.45 0.00 0.00 179.45 175.90 1n34 s GLY 69 N -3.86 0.63 0.00 5.01 0.00 0.14 -5.03 107.32 104.21 1n34 s GLY 69 Ca -0.07 -0.40 0.00 0.00 0.00 0.00 0.00 44.72 44.25 1n34 s GLY 69 CO 0.76 -0.09 0.00 1.44 0.00 0.00 0.00 173.10 175.20 1n34 n SER 70 N 3.35 0.00 0.00 1.64 7.64 -1.26 -3.99 113.62 120.99 1n34 n SER 70 Ca -0.19 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.69 1n34 n SER 70 Cb 0.54 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.74 1n34 n SER 70 CO 0.00 0.00 0.00 0.35 -3.01 0.00 0.00 175.04 172.38 1n34 n THR 71 N 0.00 0.00 -0.03 0.44 -2.24 -1.26 -2.46 114.28 108.73 1n34 n THR 71 Ca 0.00 0.00 -0.03 0.00 -2.27 0.00 0.00 64.05 61.75 1n34 n THR 71 Cb 0.00 0.00 -0.01 0.00 -2.10 0.00 0.00 70.33 68.22 1n34 n THR 71 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 1n34 n LEU 72 N 0.00 0.64 0.00 3.22 4.77 -1.26 -5.05 117.00 119.32 1n34 n LEU 72 Ca 0.00 0.17 0.00 0.00 -0.03 0.00 0.00 56.01 56.15 1n34 n LEU 72 Cb 0.00 -0.59 0.00 0.00 -2.33 0.00 0.00 43.42 40.50 1n34 n LEU 72 CO 0.00 -0.44 0.00 1.41 -1.33 0.00 0.00 177.39 177.03 1n34 n HIS 73 N -3.13 -0.68 -0.99 -1.77 8.25 -1.03 -4.56 115.22 111.31 1n34 n HIS 73 Ca -0.04 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.42 1n34 n HIS 73 Cb 0.15 0.12 0.00 0.00 1.12 0.00 0.00 29.99 31.38 1n34 n HIS 73 CO 0.00 0.00 0.00 1.63 0.64 0.00 0.00 176.34 178.61 1n34 n LYS 74 N -0.13 0.00 0.24 -0.41 4.76 -1.26 -1.23 118.16 120.13 1n34 n LYS 74 Ca 0.00 0.00 0.11 0.00 -2.87 0.00 0.00 58.31 55.55 1n34 n LYS 74 Cb 0.00 0.00 0.54 0.00 -1.84 0.00 0.00 35.03 33.73 1n34 n LYS 74 CO 0.00 0.00 0.00 -0.91 -1.37 0.00 0.00 177.40 175.12 1n34 h ASN 75 N 0.65 0.00 -0.87 4.39 4.21 -1.99 -2.57 115.58 119.39 1n34 h ASN 75 Ca 0.00 0.00 0.21 0.00 1.21 0.00 0.00 56.30 57.72 1n34 h ASN 75 Cb 0.00 0.00 -0.16 0.00 -1.12 0.00 0.00 38.32 37.04 1n34 h ASN 75 CO 0.00 0.18 -0.10 0.00 -1.29 0.00 0.00 177.43 176.23 1n34 n ALA 76 N -2.22 0.33 -0.79 -0.83 0.00 -0.84 0.20 120.51 116.37 1n34 n ALA 76 Ca -0.00 0.95 0.00 0.00 0.00 0.00 0.00 53.44 54.38 1n34 n ALA 76 Cb 0.38 -0.63 0.00 0.00 0.00 0.00 0.00 19.45 19.20 1n34 n ALA 76 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1n34 n ALA 77 N -3.44 -0.08 -0.12 0.00 0.00 -0.37 -1.25 120.51 115.25 1n34 n ALA 77 Ca 0.17 0.00 -0.03 0.00 0.00 0.00 0.00 53.44 53.58 1n34 n ALA 77 Cb 0.56 0.07 -0.03 0.00 0.00 0.00 0.00 19.45 20.05 1n34 n ALA 77 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1n34 n ALA 78 N -0.96 -0.19 -1.00 0.00 0.00 0.18 -1.35 120.51 117.20 1n34 n ALA 78 Ca 0.00 0.25 0.00 0.00 0.00 0.00 0.00 53.44 53.69 1n34 n ALA 78 Cb 0.00 0.04 0.00 0.00 0.00 0.00 0.00 19.45 19.49 1n34 n ALA 78 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.50 175.37 1n34 n ARG 79 N -3.83 0.00 -0.02 0.00 0.63 0.55 0.61 116.66 114.60 1n34 n ARG 79 Ca 0.01 0.00 -0.00 0.00 -0.92 0.00 0.00 57.85 56.93 1n34 n ARG 79 Cb 0.08 -0.42 0.00 0.00 0.45 0.00 0.00 32.46 32.57 1n34 n ARG 79 CO 0.00 0.00 0.00 0.54 -2.51 0.00 0.00 177.63 175.66 1n34 n ARG 80 N 0.00 -0.01 0.00 -0.14 5.12 -0.38 -0.35 116.66 120.90 1n34 n ARG 80 Ca 0.00 0.07 0.00 0.00 -1.93 0.00 0.00 57.85 55.99 1n34 n ARG 80 Cb 0.00 -0.10 0.00 0.00 -1.16 0.00 0.00 32.46 31.20 1n34 n ARG 80 CO 0.00 0.00 0.00 1.63 -1.93 0.00 0.00 177.63 177.33 1n34 n LYS 81 N -4.06 0.00 -0.32 5.56 5.02 -0.46 -1.27 118.16 122.63 1n34 n LYS 81 Ca 0.00 0.28 0.06 0.00 -2.02 0.00 0.00 58.31 56.63 1n34 n LYS 81 Cb 0.02 -1.26 0.13 0.00 -0.02 0.00 0.00 35.03 33.90 1n34 n LYS 81 CO 0.00 0.00 0.00 -1.13 -0.52 0.00 0.00 177.40 175.75 1n34 n SER 82 N -1.34 -0.31 0.38 4.39 3.41 0.20 0.72 113.62 121.06 1n34 n SER 82 Ca 0.00 1.52 -0.18 0.00 -0.26 0.00 0.00 58.87 59.95 1n34 n SER 82 Cb 0.00 -0.47 -0.09 0.00 -0.26 0.00 0.00 64.21 63.39 1n34 n SER 82 CO 0.00 0.00 0.00 0.03 -0.16 0.00 0.00 175.04 174.91 1n34 h ARG 83 N 0.00 -1.05 -0.85 4.33 3.08 -1.14 -2.52 114.38 116.24 1n34 h ARG 83 Ca 0.43 0.07 0.18 0.00 0.07 0.00 0.00 59.98 60.74 1n34 h ARG 83 Cb 0.68 0.24 -0.16 0.00 0.08 0.00 0.00 29.97 30.81 1n34 h ARG 83 CO -0.91 -0.70 -0.14 1.25 -1.07 0.00 0.00 179.97 178.41 1n34 h LEU 84 N -1.09 -0.66 -0.30 3.04 7.12 0.17 -1.33 115.31 122.26 1n34 h LEU 84 Ca -0.09 0.25 0.06 0.00 0.13 0.00 0.00 57.88 58.22 1n34 h LEU 84 Cb 0.88 0.49 -0.08 0.00 -0.53 0.00 0.00 40.66 41.42 1n34 h LEU 84 CO 0.07 -0.27 -0.43 0.24 -0.13 0.00 0.00 178.44 177.91 1n34 h MET 85 N 0.02 -0.38 0.00 1.25 2.86 -0.27 0.48 114.93 118.89 1n34 h MET 85 Ca 0.44 0.03 0.00 0.00 -2.06 0.00 0.00 59.70 58.10 1n34 h MET 85 Cb 0.73 0.09 0.00 0.00 0.06 0.00 0.00 31.60 32.47 1n34 h MET 85 CO -0.84 -0.25 0.00 0.54 1.06 0.00 0.00 176.91 177.42 1n34 n ARG 86 N -5.42 0.00 0.00 1.72 1.74 -0.58 -0.86 116.66 113.27 1n34 n ARG 86 Ca -0.02 0.06 0.00 0.00 -0.77 0.00 0.00 57.85 57.12 1n34 n ARG 86 Cb 0.35 -0.85 0.00 0.00 -1.02 0.00 0.00 32.46 30.95 1n34 n ARG 86 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 1n34 n LYS 87 N -0.41 0.00 0.26 5.56 5.02 -0.75 0.28 118.16 128.13 1n34 n LYS 87 Ca 0.00 0.00 -0.11 0.00 -2.02 0.00 0.00 58.31 56.18 1n34 n LYS 87 Cb 0.00 0.00 -0.05 0.00 -0.02 0.00 0.00 35.03 34.96 1n34 n LYS 87 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 1n34 h VAL 88 N 0.00 0.00 0.18 -0.18 2.07 -0.82 -3.10 116.25 114.41 1n34 h VAL 88 Ca 0.00 -0.24 -0.00 0.00 0.82 0.00 0.00 66.70 67.28 1n34 h VAL 88 Cb 0.00 0.00 -0.01 0.00 -1.52 0.00 0.00 31.29 29.76 1n34 h VAL 88 CO 0.00 0.00 -0.24 -0.09 0.02 0.00 0.00 177.57 177.26 1n34 h ARG 89 N -0.93 -0.42 0.00 1.57 2.43 0.60 -0.79 114.38 116.85 1n34 h ARG 89 Ca -0.07 0.03 0.00 0.00 -0.81 0.00 0.00 59.98 59.13 1n34 h ARG 89 Cb 0.53 0.10 0.00 0.00 -0.42 0.00 0.00 29.97 30.18 1n34 h ARG 89 CO 0.12 -0.28 0.13 1.04 -1.51 0.00 0.00 179.97 179.46 1n34 n GLN 90 N -3.80 0.00 -0.01 0.20 6.02 -0.37 0.17 117.38 119.59 1n34 n GLN 90 Ca -0.05 0.17 0.10 0.00 -0.01 0.00 0.00 57.00 57.22 1n34 n GLN 90 Cb 0.21 -1.63 -0.15 0.00 1.02 0.00 0.00 30.24 29.70 1n34 n GLN 90 CO 0.00 0.00 0.00 -0.11 -1.01 0.00 0.00 177.06 175.94 1n34 n LEU 91 N -1.09 0.40 -1.56 1.08 0.00 -0.33 -4.38 117.00 111.13 1n34 n LEU 91 Ca 0.00 -0.21 -0.05 0.00 0.00 0.00 0.00 56.01 55.75 1n34 n LEU 91 Cb 0.13 0.00 0.01 0.00 0.00 0.00 0.00 43.42 43.56 1n34 n LEU 91 CO 0.00 0.10 1.00 0.18 0.00 0.00 0.00 177.39 178.67 1n34 n LEU 92 N -1.93 5.37 -4.34 -1.96 4.77 0.45 -4.50 117.00 114.86 1n34 n LEU 92 Ca -0.01 -2.56 -0.46 0.00 -0.03 0.00 0.00 56.01 52.95 1n34 n LEU 92 Cb 0.46 -1.02 -0.03 0.00 -2.33 0.00 0.00 43.42 40.50 1n34 n LEU 92 CO 0.44 1.00 0.42 -1.61 -1.33 0.00 0.00 177.39 176.30 1n34 s GLU 93 N -0.57 3.42 -0.04 3.23 0.41 -1.26 -3.84 118.70 120.06 1n34 s GLU 93 Ca 0.10 -2.13 0.01 0.00 -0.41 0.00 0.00 54.97 52.54 1n34 s GLU 93 Cb 0.08 -4.43 0.05 0.00 -1.78 0.00 0.00 34.13 28.04 1n34 s GLU 93 CO 0.00 -1.37 0.60 0.00 -0.49 0.00 0.00 175.26 174.01 1n34 n ALA 94 N 4.70 -1.41 -3.56 5.21 0.00 -1.26 -4.92 120.51 119.28 1n34 n ALA 94 Ca 0.07 -0.12 -0.26 0.00 0.00 0.00 0.00 53.44 53.13 1n34 n ALA 94 Cb 0.45 -0.53 0.04 0.00 0.00 0.00 0.00 19.45 19.42 1n34 n ALA 94 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1n34 n ALA 95 N -0.17 -1.20 0.22 0.00 0.00 -1.26 -4.91 120.51 113.19 1n34 n ALA 95 Ca -0.02 0.28 -0.10 0.00 0.00 0.00 0.00 53.44 53.60 1n34 n ALA 95 Cb 0.53 -4.56 -0.05 0.00 0.00 0.00 0.00 19.45 15.37 1n34 n ALA 95 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 1n34 h GLY 96 N -2.04 -0.66 -4.05 0.00 0.00 -1.92 -3.50 103.07 90.90 1n34 h GLY 96 Ca -0.55 0.24 0.00 0.00 0.00 0.00 0.00 47.33 47.02 1n34 h GLY 96 CO 0.60 -0.24 -0.79 0.00 0.00 0.00 0.00 176.54 176.11 1n34 n ALA 97 N -2.72 -2.21 -2.11 3.60 0.00 -1.26 -4.68 120.51 111.12 1n34 n ALA 97 Ca -0.08 0.39 -0.29 0.00 0.00 0.00 0.00 53.44 53.46 1n34 n ALA 97 Cb 0.26 -1.21 -0.05 0.00 0.00 0.00 0.00 19.45 18.45 1n34 n ALA 97 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 1n34 s PRO 98 N -0.95 2.66 0.64 0.00 0.04 -1.26 -4.75 135.00 131.38 1n34 s PRO 98 Ca 0.00 -0.75 0.34 0.00 0.04 0.00 0.00 61.00 60.63 1n34 s PRO 98 Cb 0.00 -5.17 1.87 0.00 0.04 0.00 0.00 34.50 31.24 1n34 s PRO 98 CO 0.00 -3.49 2.11 -0.07 0.04 0.00 0.00 177.00 175.60 1n34 h LEU 99 N 17.27 0.00 0.00 -3.56 4.07 -1.90 -3.26 115.31 127.92 1n34 h LEU 99 Ca 0.17 0.00 -0.00 0.00 0.08 0.00 0.00 57.88 58.12 1n34 h LEU 99 Cb 0.97 0.00 -0.00 0.00 1.08 0.00 0.00 40.66 42.71 1n34 h LEU 99 CO 1.24 0.00 -0.89 0.00 -1.08 0.00 0.00 178.44 177.71 1n34 n ILE 100 N -3.27 0.14 -3.63 1.22 3.06 -1.26 -5.03 119.36 110.59 1n34 n ILE 100 Ca -0.01 0.05 -0.20 0.00 -2.50 0.00 0.00 62.75 60.09 1n34 n ILE 100 Cb 0.28 -1.51 -0.03 0.00 0.54 0.00 0.00 39.64 38.92 1n34 n ILE 100 CO 0.00 0.00 0.00 0.61 -2.50 0.00 0.00 176.55 174.66 1n34 n GLY 101 N 3.05 -0.21 0.13 4.50 0.00 -1.23 -4.81 105.19 106.62 1n34 n GLY 101 Ca -0.00 0.12 -0.13 0.00 0.00 0.00 0.00 46.02 46.02 1n34 n GLY 101 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1n34 h GLY 102 N -0.22 -0.22 -1.99 -0.02 0.00 -1.96 -2.60 103.07 96.06 1n34 h GLY 102 Ca -0.35 0.08 0.00 0.00 0.00 0.00 0.00 47.33 47.06 1n34 h GLY 102 CO 0.33 -0.08 0.00 0.61 0.00 0.00 0.00 176.54 177.40 1n34 n GLY 103 N -0.14 0.69 3.74 4.60 0.00 -1.26 -4.65 105.19 108.18 1n34 n GLY 103 Ca -0.09 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 45.87 1n34 n GLY 103 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1n34 s LEU 104 N 0.00 -0.26 -0.35 0.99 1.43 -0.98 -5.07 118.68 114.44 1n34 s LEU 104 Ca 0.00 -0.40 0.14 0.00 -1.03 0.00 0.00 54.13 52.84 1n34 s LEU 104 Cb 0.00 2.38 0.45 0.00 0.03 0.00 0.00 46.19 49.05 1n34 s LEU 104 CO 0.00 -1.04 1.01 -1.54 0.23 0.00 0.00 176.35 175.01 1n34 n SER 105 N -0.44 2.46 0.00 2.29 3.41 -1.26 -4.89 113.62 115.19 1n34 n SER 105 Ca -0.07 -3.00 0.00 0.00 -0.26 0.00 0.00 58.87 55.54 1n34 n SER 105 Cb 0.61 -0.51 0.00 0.00 -0.26 0.00 0.00 64.21 64.05 1n34 n SER 105 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88