#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3f1g n ASN 9 N 0.00 -1.59 -4.56 2.89 6.94 -1.26 -5.11 115.26 112.58 3f1g n ASN 9 Ca 0.00 -2.20 -0.65 0.00 -0.02 0.00 0.00 54.58 51.71 3f1g n ASN 9 Cb 0.00 0.89 -0.10 0.00 -2.36 0.00 0.00 39.78 38.21 3f1g n ASN 9 CO 0.00 0.00 0.00 -0.11 -1.03 0.00 0.00 177.26 176.12 3f1g n LEU 10 N -0.78 1.13 -0.87 -4.53 7.94 -1.26 -4.66 117.00 113.97 3f1g n LEU 10 Ca -0.10 1.11 0.00 0.00 -1.11 0.00 0.00 56.01 55.91 3f1g n LEU 10 Cb 0.81 -0.85 0.00 0.00 0.53 0.00 0.00 43.42 43.90 3f1g n LEU 10 CO -0.10 -0.81 0.26 -1.20 -1.11 0.00 0.00 177.39 174.44 3f1g n SER 11 N 4.16 1.50 0.00 1.96 7.64 -1.26 -3.56 113.62 124.06 3f1g n SER 11 Ca 0.32 -1.21 0.04 0.00 1.01 0.00 0.00 58.87 59.03 3f1g n SER 11 Cb -0.06 -0.30 0.24 0.00 -1.01 0.00 0.00 64.21 63.08 3f1g n SER 11 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3f1g n ALA 12 N 0.57 2.48 0.23 -0.43 0.00 -1.26 -2.67 120.51 119.42 3f1g n ALA 12 Ca 0.00 -0.05 0.07 0.00 0.00 0.00 0.00 53.44 53.46 3f1g n ALA 12 Cb 0.26 -1.13 0.54 0.00 0.00 0.00 0.00 19.45 19.12 3f1g n ALA 12 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 3f1g h LEU 13 N 0.00 0.00 -0.55 0.00 -0.00 -1.91 -1.85 115.31 111.00 3f1g h LEU 13 Ca 0.00 0.00 0.11 0.00 -0.00 0.00 0.00 57.88 57.99 3f1g h LEU 13 Cb 0.00 0.00 -0.11 0.00 -0.00 0.00 0.00 40.66 40.55 3f1g h LEU 13 CO 0.00 0.21 -0.18 0.50 -0.00 0.00 0.00 178.44 178.96 3f1g h LYS 14 N 0.00 -0.05 -0.34 1.13 3.64 -1.85 0.32 116.57 119.42 3f1g h LYS 14 Ca -0.00 0.00 0.07 0.00 -1.27 0.00 0.00 60.65 59.46 3f1g h LYS 14 Cb 0.41 0.01 -0.08 0.00 -0.41 0.00 0.00 32.23 32.16 3f1g h LYS 14 CO 0.03 -0.03 -0.25 0.00 -2.27 0.00 0.00 179.45 176.92 3f1g h ARG 15 N -0.05 -0.20 0.69 1.90 2.47 -1.58 0.13 114.38 117.74 3f1g h ARG 15 Ca 0.26 0.01 -0.03 0.00 -1.26 0.00 0.00 59.98 58.97 3f1g h ARG 15 Cb 0.45 0.05 -0.01 0.00 -1.65 0.00 0.00 29.97 28.81 3f1g h ARG 15 CO -0.59 -0.14 -0.45 1.25 0.56 0.00 0.00 179.97 180.60 3f1g h HIS 16 N -0.21 -1.21 -0.87 3.04 2.76 -0.81 1.39 115.15 119.24 3f1g h HIS 16 Ca 0.17 -0.01 0.18 0.00 -2.20 0.00 0.00 60.37 58.50 3f1g h HIS 16 Cb 0.48 0.44 -0.16 0.00 1.55 0.00 0.00 27.41 29.71 3f1g h HIS 16 CO -0.45 -0.67 -0.21 0.00 -1.30 0.00 0.00 177.93 175.31 3f1g h ARG 17 N -1.08 0.00 0.49 5.26 3.08 -0.26 0.14 114.38 122.01 3f1g h ARG 17 Ca -0.09 -0.00 -0.02 0.00 0.07 0.00 0.00 59.98 59.94 3f1g h ARG 17 Cb 0.88 -0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.94 3f1g h ARG 17 CO 0.07 0.00 -0.24 1.96 -1.07 0.00 0.00 179.97 180.69 3f1g h GLN 18 N 0.00 -0.64 -1.03 0.04 4.20 0.30 -2.80 115.11 115.19 3f1g h GLN 18 Ca 0.42 0.04 0.30 0.00 0.06 0.00 0.00 58.65 59.47 3f1g h GLN 18 Cb 0.65 0.14 -0.04 0.00 0.30 0.00 0.00 27.48 28.53 3f1g h GLN 18 CO -0.89 -0.42 0.83 0.66 -0.67 0.00 0.00 178.83 178.33 3f1g h SER 19 N -0.66 0.00 0.01 1.46 4.64 0.46 0.17 113.55 119.63 3f1g h SER 19 Ca -0.07 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.25 3f1g h SER 19 Cb 0.51 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.60 3f1g h SER 19 CO 0.11 0.00 -0.01 -0.07 -0.87 0.00 0.00 176.83 176.00 3f1g h LEU 20 N 0.00 -0.01 -0.58 5.97 3.38 -1.05 -1.48 115.31 121.53 3f1g h LEU 20 Ca 0.49 -0.80 0.11 0.00 0.09 0.00 0.00 57.88 57.76 3f1g h LEU 20 Cb 2.14 0.00 -0.08 0.00 0.09 0.00 0.00 40.66 42.81 3f1g h LEU 20 CO -0.01 0.84 0.13 0.11 0.09 0.00 0.00 178.44 179.60 3f1g h LYS 21 N -0.91 0.25 0.11 1.13 1.57 -0.61 -0.82 116.57 117.29 3f1g h LYS 21 Ca -0.00 -0.02 -0.00 0.00 -1.87 0.00 0.00 60.65 58.76 3f1g h LYS 21 Cb 0.81 -0.06 -0.01 0.00 0.08 0.00 0.00 32.23 33.06 3f1g h LYS 21 CO 0.00 0.17 -0.12 -0.09 -0.57 0.00 0.00 179.45 178.85 3f1g h ARG 22 N 0.26 -0.22 -0.90 3.15 9.65 -0.87 -2.91 114.38 122.54 3f1g h ARG 22 Ca 0.30 0.01 0.10 0.00 -1.10 0.00 0.00 59.98 59.29 3f1g h ARG 22 Cb 0.44 0.05 -0.12 0.00 -1.39 0.00 0.00 29.97 28.95 3f1g h ARG 22 CO -0.38 -0.14 -0.48 -2.13 2.80 0.00 0.00 179.97 179.63 3f1g n ARG 23 N -3.00 -0.34 -0.34 0.20 0.63 -0.56 0.95 116.66 114.19 3f1g n ARG 23 Ca -0.03 1.37 0.03 0.00 -0.92 0.00 0.00 57.85 58.30 3f1g n ARG 23 Cb 0.10 -2.02 0.10 0.00 0.45 0.00 0.00 32.46 31.10 3f1g n ARG 23 CO 0.00 0.00 0.00 -0.07 -2.51 0.00 0.00 177.63 175.05 3f1g h LEU 24 N 0.00 -1.04 0.12 6.15 -0.00 -1.14 0.82 115.31 120.22 3f1g h LEU 24 Ca 0.19 0.29 -0.01 0.00 -0.00 0.00 0.00 57.88 58.36 3f1g h LEU 24 Cb 0.42 0.63 -0.00 0.00 -0.00 0.00 0.00 40.66 41.71 3f1g h LEU 24 CO -0.86 -0.31 -0.07 -0.09 -0.00 0.00 0.00 178.44 177.11 3f1g h ARG 25 N -0.01 -0.17 -0.69 1.13 2.43 0.78 -2.01 114.38 115.84 3f1g h ARG 25 Ca 0.42 0.01 0.12 0.00 -0.81 0.00 0.00 59.98 59.72 3f1g h ARG 25 Cb 0.66 0.04 -0.09 0.00 -0.42 0.00 0.00 29.97 30.16 3f1g h ARG 25 CO -0.97 -0.11 0.25 -0.91 -1.51 0.00 0.00 179.97 176.72 3f1g h ASN 26 N -0.18 0.21 -0.85 -3.80 2.35 -1.23 0.29 115.58 112.37 3f1g h ASN 26 Ca -0.02 0.10 0.22 0.00 -0.55 0.00 0.00 56.30 56.06 3f1g h ASN 26 Cb 0.14 0.09 -0.14 0.00 0.05 0.00 0.00 38.32 38.46 3f1g h ASN 26 CO 0.02 0.10 0.19 0.50 -1.65 0.00 0.00 177.43 176.58 3f1g h LYS 27 N 0.40 0.19 0.03 0.81 3.64 -0.76 0.15 116.57 121.03 3f1g h LYS 27 Ca 0.37 -0.01 -0.00 0.00 -1.27 0.00 0.00 60.65 59.74 3f1g h LYS 27 Cb 0.53 -0.04 0.00 0.00 -0.41 0.00 0.00 32.23 32.31 3f1g h LYS 27 CO -0.38 0.12 -0.02 0.00 -2.27 0.00 0.00 179.45 176.91 3f1g h ALA 28 N 1.76 -0.05 -0.75 5.00 0.00 0.23 -1.39 119.26 124.06 3f1g h ALA 28 Ca 0.52 -0.34 0.17 0.00 0.00 0.00 0.00 54.91 55.26 3f1g h ALA 28 Cb 1.02 0.02 -0.13 0.00 0.00 0.00 0.00 17.79 18.70 3f1g h ALA 28 CO -0.65 -0.15 -0.01 0.87 0.00 0.00 0.00 179.25 179.31 3f1g h LYS 29 N -0.80 0.09 -0.17 0.00 1.79 -0.11 -0.50 116.57 116.87 3f1g h LYS 29 Ca -0.00 -0.01 -0.17 0.00 -2.18 0.00 0.00 60.65 58.29 3f1g h LYS 29 Cb 0.69 -0.02 0.01 0.00 -1.58 0.00 0.00 32.23 31.32 3f1g h LYS 29 CO 0.01 0.06 -0.55 -0.22 -1.08 0.00 0.00 179.45 177.67 3f1g h LYS 30 N 0.09 0.66 0.00 3.15 1.63 -0.81 -2.80 116.57 118.50 3f1g h LYS 30 Ca 0.41 -0.49 -0.01 0.00 -0.85 0.00 0.00 60.65 59.70 3f1g h LYS 30 Cb 0.71 0.09 -0.00 0.00 -0.60 0.00 0.00 32.23 32.42 3f1g h LYS 30 CO -0.67 1.11 -0.04 0.66 -3.45 0.00 0.00 179.45 177.05 3f1g h SER 31 N 0.34 0.00 0.02 4.20 4.64 0.02 -1.56 113.55 121.21 3f1g h SER 31 Ca -0.02 0.00 -0.07 0.00 -0.47 0.00 0.00 61.79 61.23 3f1g h SER 31 Cb 1.17 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 63.27 3f1g h SER 31 CO 0.12 0.04 -0.27 0.00 -0.87 0.00 0.00 176.83 175.85 3f1g h ALA 32 N 1.96 0.01 -0.85 5.18 0.00 -1.12 -2.62 119.26 121.81 3f1g h ALA 32 Ca -0.00 -0.50 0.08 0.00 0.00 0.00 0.00 54.91 54.49 3f1g h ALA 32 Cb 0.10 0.02 -0.11 0.00 0.00 0.00 0.00 17.79 17.80 3f1g h ALA 32 CO 0.01 0.10 -0.57 0.82 0.00 0.00 0.00 179.25 179.60 3f1g h ILE 33 N -0.58 0.00 -0.15 0.00 1.08 -1.05 0.70 117.51 117.51 3f1g h ILE 33 Ca -0.04 0.00 0.03 0.00 -0.39 0.00 0.00 64.86 64.46 3f1g h ILE 33 Cb 1.08 0.00 -0.06 0.00 -3.07 0.00 0.00 36.82 34.77 3f1g h ILE 33 CO 0.05 0.00 -0.52 0.11 -0.69 0.00 0.00 178.15 177.10 3f1g h LYS 34 N -0.10 -0.52 -0.05 2.37 1.57 -1.41 0.55 116.57 118.98 3f1g h LYS 34 Ca 0.15 0.04 0.04 0.00 -1.87 0.00 0.00 60.65 59.00 3f1g h LYS 34 Cb 0.46 0.12 -0.06 0.00 0.08 0.00 0.00 32.23 32.83 3f1g h LYS 34 CO -0.86 -0.35 -0.37 1.79 -0.57 0.00 0.00 179.45 179.09 3f1g h THR 35 N -0.54 0.22 -0.65 -0.16 1.35 -0.77 -0.67 112.91 111.68 3f1g h THR 35 Ca 0.03 0.00 0.02 0.00 -0.55 0.00 0.00 66.41 65.92 3f1g h THR 35 Cb 0.64 0.22 -0.04 0.00 -1.73 0.00 0.00 68.15 67.24 3f1g h THR 35 CO -0.43 0.00 0.41 -0.07 -0.25 0.00 0.00 175.52 175.18 3f1g h LEU 36 N -0.50 0.69 -0.41 3.87 -0.00 -0.77 -0.55 115.31 117.65 3f1g h LEU 36 Ca 0.07 -0.00 0.08 0.00 -0.00 0.00 0.00 57.88 58.03 3f1g h LEU 36 Cb 0.60 -0.15 -0.09 0.00 -0.00 0.00 0.00 40.66 41.02 3f1g h LEU 36 CO -0.32 0.48 -0.28 0.28 -0.00 0.00 0.00 178.44 178.60 3f1g h SER 37 N 0.82 -0.95 -0.41 -0.43 0.02 -0.19 -0.70 113.55 111.71 3f1g h SER 37 Ca 0.26 0.18 0.02 0.00 -0.84 0.00 0.00 61.79 61.41 3f1g h SER 37 Cb -0.01 0.46 -0.03 0.00 0.14 0.00 0.00 62.40 62.96 3f1g h SER 37 CO -0.09 -0.29 0.24 0.11 -1.14 0.00 0.00 176.83 175.65 3f1g h LYS 38 N -0.21 0.47 -0.87 3.45 1.57 -0.53 -0.23 116.57 120.21 3f1g h LYS 38 Ca 0.18 -0.03 0.18 0.00 -1.87 0.00 0.00 60.65 59.11 3f1g h LYS 38 Cb 0.51 -0.11 -0.07 0.00 0.08 0.00 0.00 32.23 32.65 3f1g h LYS 38 CO -0.53 0.31 0.57 -0.22 -0.57 0.00 0.00 179.45 179.02 3f1g h LYS 39 N 0.48 0.49 0.00 3.15 3.64 -0.13 0.32 116.57 124.51 3f1g h LYS 39 Ca 0.17 -0.03 -0.00 0.00 -1.27 0.00 0.00 60.65 59.52 3f1g h LYS 39 Cb 0.02 -0.11 0.00 0.00 -0.41 0.00 0.00 32.23 31.73 3f1g h LYS 39 CO -0.08 0.32 -0.00 0.00 -2.27 0.00 0.00 179.45 177.42 3f1g h ALA 40 N 1.62 -0.00 -1.01 5.00 0.00 -0.34 -2.91 119.26 121.61 3f1g h ALA 40 Ca 0.45 -0.00 0.29 0.00 0.00 0.00 0.00 54.91 55.65 3f1g h ALA 40 Cb 0.97 0.00 -0.04 0.00 0.00 0.00 0.00 17.79 18.72 3f1g h ALA 40 CO -0.18 -0.00 0.72 -0.39 0.00 0.00 0.00 179.25 179.40 3f1g h VAL 41 N -0.62 0.50 0.83 0.00 -1.51 -0.97 0.42 116.25 114.90 3f1g h VAL 41 Ca -0.00 -0.01 -0.04 0.00 -1.23 0.00 0.00 66.70 65.42 3f1g h VAL 41 Cb 0.00 0.46 0.01 0.00 -2.13 0.00 0.00 31.29 29.63 3f1g h VAL 41 CO 0.00 0.01 -0.40 -0.61 -1.23 0.00 0.00 177.57 175.34 3f1g h GLN 42 N 0.04 -1.08 -0.68 5.19 5.75 -1.05 -2.91 115.11 120.37 3f1g h GLN 42 Ca 0.49 0.07 0.12 0.00 -0.15 0.00 0.00 58.65 59.18 3f1g h GLN 42 Cb 1.89 0.24 -0.09 0.00 1.07 0.00 0.00 27.48 30.60 3f1g h GLN 42 CO -0.03 -0.72 0.25 -0.07 -2.65 0.00 0.00 178.83 175.61 3f1g h LEU 43 N -1.30 0.21 -2.01 -2.39 3.38 -0.08 0.23 115.31 113.35 3f1g h LEU 43 Ca -0.11 0.10 0.13 0.00 0.09 0.00 0.00 57.88 58.09 3f1g h LEU 43 Cb 0.86 0.09 -0.02 0.00 0.09 0.00 0.00 40.66 41.68 3f1g h LEU 43 CO 0.19 0.10 0.34 0.00 0.09 0.00 0.00 178.44 179.15 3f1g h ALA 44 N 1.49 2.40 0.21 1.53 0.00 -0.85 -0.60 119.26 123.43 3f1g h ALA 44 Ca 0.36 -0.02 -0.34 0.00 0.00 0.00 0.00 54.91 54.91 3f1g h ALA 44 Cb 0.51 0.03 0.02 0.00 0.00 0.00 0.00 17.79 18.36 3f1g h ALA 44 CO -0.37 -0.57 -1.66 0.37 0.00 0.00 0.00 179.25 177.02 3f1g h GLN 45 N 0.00 0.43 0.00 0.00 -0.00 -0.47 -3.31 115.11 111.77 3f1g h GLN 45 Ca 0.22 -0.74 0.00 0.00 -0.00 0.00 0.00 58.65 58.12 3f1g h GLN 45 Cb 0.88 0.28 0.00 0.00 0.00 0.00 0.00 27.48 28.64 3f1g h GLN 45 CO -0.00 1.36 0.00 -1.91 0.00 0.00 0.00 178.83 178.27 3f1g n GLU 46 N -3.65 0.20 0.00 1.69 2.13 0.35 -4.76 120.64 116.61 3f1g n GLU 46 Ca -0.23 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.59 3f1g n GLU 46 Cb 1.08 -1.04 0.00 0.00 0.27 0.00 0.00 31.44 31.75 3f1g n GLU 46 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 3f1g n GLY 47 N -0.32 2.36 3.46 8.31 0.00 -1.10 -5.02 105.19 112.88 3f1g n GLY 47 Ca 0.00 -0.53 -0.36 0.00 0.00 0.00 0.00 46.02 45.14 3f1g n GLY 47 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3f1g n LYS 48 N 0.00 0.27 0.00 1.61 5.02 -1.12 -4.86 118.16 119.08 3f1g n LYS 48 Ca 0.00 0.13 0.00 0.00 -2.02 0.00 0.00 58.31 56.42 3f1g n LYS 48 Cb 0.00 -1.83 0.00 0.00 -0.02 0.00 0.00 35.03 33.18 3f1g n LYS 48 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3f1g n ALA 49 N -2.44 0.04 -0.54 7.82 0.00 -1.26 -4.01 120.51 120.13 3f1g n ALA 49 Ca 0.10 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.54 3f1g n ALA 49 Cb 0.50 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.95 3f1g n ALA 49 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.50 176.65 3f1g n GLU 50 N -0.06 0.00 0.16 0.00 0.28 -1.26 -2.66 120.64 117.09 3f1g n GLU 50 Ca 0.00 0.23 0.13 0.00 -0.16 0.00 0.00 57.16 57.36 3f1g n GLU 50 Cb 0.00 -1.18 0.40 0.00 1.43 0.00 0.00 31.44 32.09 3f1g n GLU 50 CO 0.00 0.00 0.00 1.05 -0.16 0.00 0.00 177.13 178.02 3f1g h GLU 51 N 0.00 0.00 -0.39 3.44 4.11 -1.99 -3.13 114.58 116.62 3f1g h GLU 51 Ca 0.00 0.00 0.07 0.00 0.07 0.00 0.00 59.36 59.50 3f1g h GLU 51 Cb 0.00 0.00 -0.06 0.00 0.50 0.00 0.00 28.75 29.19 3f1g h GLU 51 CO 0.00 0.00 0.05 0.00 0.07 0.00 0.00 179.01 179.13 3f1g h ALA 52 N 2.29 0.40 -0.46 1.06 0.00 -1.84 -1.42 119.26 119.30 3f1g h ALA 52 Ca 0.00 0.09 -0.14 0.00 0.00 0.00 0.00 54.91 54.87 3f1g h ALA 52 Cb 0.71 0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.62 3f1g h ALA 52 CO 0.00 -0.35 -0.25 -0.07 0.00 0.00 0.00 179.25 178.58 3f1g h LEU 53 N 0.17 1.02 -2.00 0.00 3.38 -1.49 -2.31 115.31 114.08 3f1g h LEU 53 Ca 0.19 -0.41 0.18 0.00 0.09 0.00 0.00 57.88 57.93 3f1g h LEU 53 Cb 0.25 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 40.69 3f1g h LEU 53 CO -0.28 1.20 0.45 0.50 0.09 0.00 0.00 178.44 180.40 3f1g h LYS 54 N 0.83 0.00 0.09 1.13 3.11 -1.25 0.42 116.57 120.91 3f1g h LYS 54 Ca 0.10 0.00 -0.14 0.00 -2.81 0.00 0.00 60.65 57.80 3f1g h LYS 54 Cb 0.83 0.00 0.01 0.00 -1.00 0.00 0.00 32.23 32.07 3f1g h LYS 54 CO 0.07 0.00 -0.63 0.82 -2.81 0.00 0.00 179.45 176.90 3f1g h ILE 55 N 0.00 1.53 -0.83 2.00 5.03 -1.18 -2.73 117.51 121.33 3f1g h ILE 55 Ca 0.29 -2.45 0.19 0.00 -0.12 0.00 0.00 64.86 62.77 3f1g h ILE 55 Cb 1.18 3.18 -0.12 0.00 -3.03 0.00 0.00 36.82 38.04 3f1g h ILE 55 CO -0.00 0.66 0.31 -0.03 -0.68 0.00 0.00 178.15 178.41 3f1g h MET 56 N -0.59 0.35 0.69 2.37 4.05 -0.00 0.80 114.93 122.60 3f1g h MET 56 Ca -0.12 -0.02 -0.03 0.00 -0.28 0.00 0.00 59.70 59.24 3f1g h MET 56 Cb 1.43 -0.08 0.01 0.00 -0.80 0.00 0.00 31.60 32.16 3f1g h MET 56 CO 0.08 0.23 -0.33 0.00 0.23 0.00 0.00 176.91 177.12 3f1g h ARG 57 N 0.36 -0.89 -0.75 0.39 3.08 -0.45 0.13 114.38 116.25 3f1g h ARG 57 Ca 0.50 0.06 0.08 0.00 0.07 0.00 0.00 59.98 60.69 3f1g h ARG 57 Cb 0.89 0.20 -0.11 0.00 0.08 0.00 0.00 29.97 31.03 3f1g h ARG 57 CO -0.51 -0.56 -0.54 -0.22 -1.07 0.00 0.00 179.97 177.07 3f1g h LYS 58 N -1.14 -0.15 0.05 0.04 1.63 -0.86 0.25 116.57 116.39 3f1g h LYS 58 Ca -0.09 0.01 0.02 0.00 -0.85 0.00 0.00 60.65 59.73 3f1g h LYS 58 Cb 0.74 0.03 -0.03 0.00 -0.60 0.00 0.00 32.23 32.37 3f1g h LYS 58 CO 0.15 -0.10 -0.16 0.00 -3.45 0.00 0.00 179.45 175.89 3f1g h ALA 59 N 0.43 -0.23 -1.03 5.00 0.00 -0.96 -2.30 119.26 120.17 3f1g h ALA 59 Ca 0.15 -0.01 0.28 0.00 0.00 0.00 0.00 54.91 55.33 3f1g h ALA 59 Cb 0.51 0.26 -0.06 0.00 0.00 0.00 0.00 17.79 18.50 3f1g h ALA 59 CO -0.80 -0.67 0.70 1.49 0.00 0.00 0.00 179.25 179.98 3f1g h GLU 60 N -0.29 0.19 0.47 0.00 4.22 0.15 0.80 114.58 120.11 3f1g h GLU 60 Ca 0.04 -0.01 -0.02 0.00 0.08 0.00 0.00 59.36 59.44 3f1g h GLU 60 Cb 0.33 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 29.54 3f1g h GLU 60 CO -0.12 0.12 -0.23 1.03 -2.18 0.00 0.00 179.01 177.64 3f1g h SER 61 N 0.19 -0.54 -0.58 1.04 0.87 -0.20 -3.30 113.55 111.04 3f1g h SER 61 Ca 0.53 -0.08 0.16 0.00 -1.23 0.00 0.00 61.79 61.17 3f1g h SER 61 Cb 1.72 0.14 -0.02 0.00 -0.44 0.00 0.00 62.40 63.79 3f1g h SER 61 CO -0.13 -0.20 0.41 0.25 -0.53 0.00 0.00 176.83 176.63 3f1g h LEU 62 N -0.90 0.01 0.70 2.23 6.46 0.10 0.21 115.31 124.13 3f1g h LEU 62 Ca -0.06 0.00 -0.03 0.00 -0.12 0.00 0.00 57.88 57.66 3f1g h LEU 62 Cb 0.58 -0.00 0.01 0.00 -0.73 0.00 0.00 40.66 40.52 3f1g h LEU 62 CO 0.11 0.01 -0.34 0.40 -0.62 0.00 0.00 178.44 178.00 3f1g h ILE 63 N 0.01 0.31 0.00 4.05 2.04 -1.37 -0.92 117.51 121.64 3f1g h ILE 63 Ca 0.27 -0.01 -0.01 0.00 1.00 0.00 0.00 64.86 66.12 3f1g h ILE 63 Cb 1.08 0.31 -0.00 0.00 -0.74 0.00 0.00 36.82 37.47 3f1g h ILE 63 CO -0.01 0.00 -0.03 0.44 0.00 0.00 0.00 178.15 178.55 3f1g h ASP 64 N -0.95 0.00 -0.14 1.72 3.32 -0.74 -0.35 116.42 119.28 3f1g h ASP 64 Ca -0.10 0.00 -0.18 0.00 0.02 0.00 0.00 57.03 56.77 3f1g h ASP 64 Cb 0.73 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 40.27 3f1g h ASP 64 CO 0.16 0.03 -0.58 0.11 -1.72 0.00 0.00 179.24 177.24 3f1g h LYS 65 N 0.00 0.74 0.00 3.56 1.57 -0.86 -2.22 116.57 119.36 3f1g h LYS 65 Ca -0.00 -0.49 -0.09 0.00 -1.87 0.00 0.00 60.65 58.20 3f1g h LYS 65 Cb 0.06 0.06 -0.01 0.00 0.08 0.00 0.00 32.23 32.42 3f1g h LYS 65 CO 0.00 1.11 -0.42 0.00 -0.57 0.00 0.00 179.45 179.58 3f1g h ALA 66 N 0.78 1.13 -0.70 3.86 0.00 -0.48 -3.23 119.26 120.61 3f1g h ALA 66 Ca 0.00 -0.38 -0.06 0.00 0.00 0.00 0.00 54.91 54.47 3f1g h ALA 66 Cb 1.17 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 18.86 3f1g h ALA 66 CO 0.12 0.52 0.20 0.00 0.00 0.00 0.00 179.25 180.09 3f1g h ALA 67 N 1.58 1.02 -0.34 0.00 0.00 -0.50 -2.39 119.26 118.63 3f1g h ALA 67 Ca -0.00 -0.23 0.07 0.00 0.00 0.00 0.00 54.91 54.75 3f1g h ALA 67 Cb 0.83 -0.27 -0.07 0.00 0.00 0.00 0.00 17.79 18.28 3f1g h ALA 67 CO 0.05 0.65 -0.15 0.87 0.00 0.00 0.00 179.25 180.68 3f1g h LYS 68 N 1.05 -0.09 -7.42 0.00 1.57 -1.47 -3.42 116.57 106.80 3f1g h LYS 68 Ca 0.23 0.01 -0.45 0.00 -1.87 0.00 0.00 60.65 58.57 3f1g h LYS 68 Cb 0.33 0.02 0.16 0.00 0.08 0.00 0.00 32.23 32.82 3f1g h LYS 68 CO -0.00 -0.06 0.22 0.20 -0.57 0.00 0.00 179.45 179.23 3f1g s GLY 69 N -2.93 1.58 0.00 3.86 0.00 -0.90 -4.88 107.32 104.04 3f1g s GLY 69 Ca -0.14 -0.56 0.05 0.00 0.00 0.00 0.00 44.72 44.07 3f1g s GLY 69 CO 0.70 0.10 0.72 -1.26 0.00 0.00 0.00 173.10 173.36 3f1g n SER 70 N -4.18 0.00 -0.25 1.64 2.88 -1.26 -4.59 113.62 107.86 3f1g n SER 70 Ca 0.07 -0.68 0.00 0.00 -1.33 0.00 0.00 58.87 56.93 3f1g n SER 70 Cb 0.58 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 64.04 3f1g n SER 70 CO 0.00 0.00 0.00 0.41 -1.23 0.00 0.00 175.04 174.22 3f1g n THR 71 N -0.69 0.00 -1.57 2.46 -1.04 -1.26 -4.89 114.28 107.30 3f1g n THR 71 Ca 0.04 0.00 -0.52 0.00 -2.04 0.00 0.00 64.05 61.53 3f1g n THR 71 Cb 0.02 0.00 -0.06 0.00 -1.82 0.00 0.00 70.33 68.47 3f1g n THR 71 CO 0.00 0.00 0.00 -0.11 -0.64 0.00 0.00 175.07 174.32 3f1g n LEU 72 N 0.00 1.33 0.00 -4.42 -0.00 -1.26 -4.89 117.00 107.77 3f1g n LEU 72 Ca 0.00 1.13 0.00 0.00 -0.00 0.00 0.00 56.01 57.14 3f1g n LEU 72 Cb 0.00 -1.16 0.00 0.00 -0.00 0.00 0.00 43.42 42.26 3f1g n LEU 72 CO 0.00 -1.27 0.00 1.57 -0.00 0.00 0.00 177.39 177.69 3f1g n HIS 73 N 2.04 -0.12 -4.27 1.96 -0.00 -1.26 -2.99 115.22 110.58 3f1g n HIS 73 Ca 0.18 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.36 3f1g n HIS 73 Cb 0.19 0.00 0.00 0.00 -0.12 0.00 0.00 29.99 30.06 3f1g n HIS 73 CO 0.00 0.00 0.00 1.63 0.46 0.00 0.00 176.34 178.43 3f1g n LYS 74 N 0.00 0.00 0.13 1.57 4.76 -1.26 -2.56 118.16 120.80 3f1g n LYS 74 Ca 0.00 0.00 0.13 0.00 -2.87 0.00 0.00 58.31 55.57 3f1g n LYS 74 Cb 0.00 0.00 0.43 0.00 -1.84 0.00 0.00 35.03 33.62 3f1g n LYS 74 CO 0.00 0.00 0.00 -2.95 -1.37 0.00 0.00 177.40 173.08 3f1g h ASN 75 N 4.09 0.00 -0.61 4.39 -1.07 -2.01 -3.12 115.58 117.25 3f1g h ASN 75 Ca 0.00 0.00 0.12 0.00 0.07 0.00 0.00 56.30 56.49 3f1g h ASN 75 Cb 0.00 0.00 -0.04 0.00 -2.07 0.00 0.00 38.32 36.21 3f1g h ASN 75 CO 0.00 0.00 0.42 0.00 0.07 0.00 0.00 177.43 177.92 3f1g h ALA 76 N 2.37 2.16 -0.52 4.14 0.00 -1.96 0.38 119.26 125.84 3f1g h ALA 76 Ca 0.00 -0.01 0.07 0.00 0.00 0.00 0.00 54.91 54.97 3f1g h ALA 76 Cb 0.62 -0.04 -0.06 0.00 0.00 0.00 0.00 17.79 18.31 3f1g h ALA 76 CO 0.00 -0.32 0.20 0.00 0.00 0.00 0.00 179.25 179.13 3f1g h ALA 77 N 1.70 0.64 -0.24 0.00 0.00 -1.43 -1.46 119.26 118.47 3f1g h ALA 77 Ca 0.29 0.06 -0.05 0.00 0.00 0.00 0.00 54.91 55.21 3f1g h ALA 77 Cb 0.73 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.54 3f1g h ALA 77 CO -0.07 -0.19 -0.06 0.00 0.00 0.00 0.00 179.25 178.93 3f1g h ALA 78 N 1.34 0.33 -0.70 0.00 0.00 -0.52 -2.27 119.26 117.44 3f1g h ALA 78 Ca 0.25 -0.26 0.14 0.00 0.00 0.00 0.00 54.91 55.04 3f1g h ALA 78 Cb 0.26 -0.09 -0.10 0.00 0.00 0.00 0.00 17.79 17.86 3f1g h ALA 78 CO -0.24 0.13 0.19 -0.09 0.00 0.00 0.00 179.25 179.24 3f1g h ARG 79 N 0.21 0.30 -0.31 0.00 2.43 -0.82 0.29 114.38 116.48 3f1g h ARG 79 Ca 0.06 -0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.22 3f1g h ARG 79 Cb 0.52 -0.07 -0.02 0.00 -0.42 0.00 0.00 29.97 29.98 3f1g h ARG 79 CO 0.02 0.20 0.20 0.00 -1.51 0.00 0.00 179.97 178.88 3f1g h ARG 80 N 0.31 0.40 0.12 0.20 2.47 -1.08 -2.59 114.38 114.21 3f1g h ARG 80 Ca 0.38 -0.02 -0.01 0.00 -1.26 0.00 0.00 59.98 59.07 3f1g h ARG 80 Cb 0.61 -0.09 0.00 0.00 -1.65 0.00 0.00 29.97 28.84 3f1g h ARG 80 CO -0.45 0.27 -0.06 0.87 0.56 0.00 0.00 179.97 181.16 3f1g h LYS 81 N 0.41 -0.15 0.39 0.04 1.57 -0.51 -2.24 116.57 116.08 3f1g h LYS 81 Ca 0.11 0.01 -0.01 0.00 -1.87 0.00 0.00 60.65 58.90 3f1g h LYS 81 Cb -0.04 0.03 -0.02 0.00 0.08 0.00 0.00 32.23 32.28 3f1g h LYS 81 CO -0.03 -0.02 -0.33 0.66 -0.57 0.00 0.00 179.45 179.17 3f1g h SER 82 N -0.25 -0.87 -0.56 0.86 4.64 -0.40 -1.25 113.55 115.72 3f1g h SER 82 Ca -0.02 0.07 0.11 0.00 -0.47 0.00 0.00 61.79 61.48 3f1g h SER 82 Cb 0.20 0.28 -0.11 0.00 -0.31 0.00 0.00 62.40 62.47 3f1g h SER 82 CO 0.03 -0.48 -0.21 0.03 -0.87 0.00 0.00 176.83 175.32 3f1g h ARG 83 N -0.72 -0.08 0.03 4.77 3.08 -1.51 0.51 114.38 120.46 3f1g h ARG 83 Ca -0.03 0.01 0.00 0.00 0.07 0.00 0.00 59.98 60.03 3f1g h ARG 83 Cb 0.63 0.02 -0.02 0.00 0.08 0.00 0.00 29.97 30.69 3f1g h ARG 83 CO -0.03 -0.05 -0.16 1.25 -1.07 0.00 0.00 179.97 179.91 3f1g h LEU 84 N -0.08 -0.50 -0.21 3.04 7.12 -0.70 0.32 115.31 124.30 3f1g h LEU 84 Ca 0.26 0.05 -0.06 0.00 0.13 0.00 0.00 57.88 58.26 3f1g h LEU 84 Cb 0.48 0.18 -0.01 0.00 -0.53 0.00 0.00 40.66 40.79 3f1g h LEU 84 CO -0.62 -0.17 -0.09 0.00 -0.13 0.00 0.00 178.44 177.43 3f1g h MET 85 N -0.23 0.43 -0.97 1.25 -0.00 -1.11 -1.08 114.93 113.22 3f1g h MET 85 Ca -0.00 -0.18 0.20 0.00 -0.00 0.00 0.00 59.70 59.72 3f1g h MET 85 Cb 0.23 -0.01 -0.11 0.00 -0.00 0.00 0.00 31.60 31.71 3f1g h MET 85 CO -0.09 0.71 0.55 -0.09 -0.00 0.00 0.00 176.91 177.99 3f1g h ARG 86 N 0.14 0.63 -0.06 -0.10 2.43 0.07 0.14 114.38 117.63 3f1g h ARG 86 Ca 0.05 -0.04 -0.05 0.00 -0.81 0.00 0.00 59.98 59.13 3f1g h ARG 86 Cb 0.57 -0.14 0.00 0.00 -0.42 0.00 0.00 29.97 29.98 3f1g h ARG 86 CO 0.03 0.41 -0.15 -0.22 -1.51 0.00 0.00 179.97 178.53 3f1g h LYS 87 N 0.65 0.22 -0.50 0.20 1.63 -0.17 -3.16 116.57 115.44 3f1g h LYS 87 Ca 0.58 -0.15 0.10 0.00 -0.85 0.00 0.00 60.65 60.33 3f1g h LYS 87 Cb 0.97 0.02 -0.09 0.00 -0.60 0.00 0.00 32.23 32.53 3f1g h LYS 87 CO -0.42 0.75 -0.09 0.28 -3.45 0.00 0.00 179.45 176.51 3f1g h VAL 88 N -0.29 0.53 -0.98 2.00 2.07 -0.06 -1.05 116.25 118.47 3f1g h VAL 88 Ca -0.00 -0.01 0.16 0.00 0.82 0.00 0.00 66.70 67.67 3f1g h VAL 88 Cb 0.75 0.50 -0.09 0.00 -1.52 0.00 0.00 31.29 30.93 3f1g h VAL 88 CO 0.03 0.00 0.62 -0.09 0.02 0.00 0.00 177.57 178.15 3f1g h ARG 89 N 0.03 0.79 0.00 1.57 2.43 -0.80 0.08 114.38 118.47 3f1g h ARG 89 Ca 0.24 -0.05 -0.02 0.00 -0.81 0.00 0.00 59.98 59.35 3f1g h ARG 89 Cb 0.37 -0.18 -0.00 0.00 -0.42 0.00 0.00 29.97 29.74 3f1g h ARG 89 CO -0.49 0.52 -0.13 1.96 -1.51 0.00 0.00 179.97 180.33 3f1g h GLN 90 N 0.81 0.00 0.00 0.20 4.20 -1.22 0.37 115.11 119.47 3f1g h GLN 90 Ca 0.53 0.00 -0.06 0.00 0.06 0.00 0.00 58.65 59.17 3f1g h GLN 90 Cb 0.75 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.52 3f1g h GLN 90 CO -0.30 0.09 -0.44 -0.07 -0.67 0.00 0.00 178.83 177.44 3f1g h LEU 91 N 0.00 0.00 0.00 1.46 3.38 0.16 -3.18 115.31 117.13 3f1g h LEU 91 Ca -0.00 0.00 -0.21 0.00 0.09 0.00 0.00 57.88 57.76 3f1g h LEU 91 Cb 1.07 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.78 3f1g h LEU 91 CO 0.01 0.28 -1.68 0.18 0.09 0.00 0.00 178.44 177.33 3f1g n LEU 92 N -3.11 0.65 -0.33 1.67 4.77 -0.42 -3.69 117.00 116.55 3f1g n LEU 92 Ca 0.02 0.29 0.34 0.00 -0.03 0.00 0.00 56.01 56.63 3f1g n LEU 92 Cb 0.65 0.16 0.72 0.00 -2.33 0.00 0.00 43.42 42.62 3f1g n LEU 92 CO 0.38 0.23 1.31 -0.08 -1.33 0.00 0.00 177.39 177.91 3f1g h GLU 93 N 0.00 0.04 -2.40 3.23 4.81 -0.24 0.68 114.58 120.70 3f1g h GLU 93 Ca -0.24 -0.00 -0.33 0.00 -0.13 0.00 0.00 59.36 58.66 3f1g h GLU 93 Cb 1.72 -0.01 -0.03 0.00 0.63 0.00 0.00 28.75 31.06 3f1g h GLU 93 CO 0.05 0.03 1.04 0.00 -0.73 0.00 0.00 179.01 179.40 3f1g n ALA 94 N -2.74 6.46 -0.51 2.92 0.00 -1.21 -4.82 120.51 120.61 3f1g n ALA 94 Ca 0.26 -2.27 0.00 0.00 0.00 0.00 0.00 53.44 51.43 3f1g n ALA 94 Cb 1.21 -2.66 0.00 0.00 0.00 0.00 0.00 19.45 18.00 3f1g n ALA 94 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3f1g n ALA 95 N 2.92 -2.85 0.00 0.00 0.00 0.23 -5.00 120.51 115.81 3f1g n ALA 95 Ca 0.52 0.08 0.00 0.00 0.00 0.00 0.00 53.44 54.04 3f1g n ALA 95 Cb 0.65 -0.65 0.00 0.00 0.00 0.00 0.00 19.45 19.44 3f1g n ALA 95 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3f1g n GLY 96 N -0.03 1.93 2.40 0.00 0.00 -1.20 -4.75 105.19 103.53 3f1g n GLY 96 Ca 0.00 -0.17 -0.01 0.00 0.00 0.00 0.00 46.02 45.83 3f1g n GLY 96 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3f1g n ALA 97 N 0.00 -2.20 -1.40 4.61 0.00 -1.26 -4.55 120.51 115.70 3f1g n ALA 97 Ca 0.00 0.82 -0.13 0.00 0.00 0.00 0.00 53.44 54.12 3f1g n ALA 97 Cb 0.00 -2.02 -0.12 0.00 0.00 0.00 0.00 19.45 17.31 3f1g n ALA 97 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 3f1g n PRO 98 N 1.87 0.14 0.00 0.00 -0.02 -1.26 -4.84 135.00 130.89 3f1g n PRO 98 Ca -0.08 -0.44 0.00 0.00 -2.02 0.00 0.00 63.50 60.95 3f1g n PRO 98 Cb 0.13 -2.05 0.00 0.00 -0.02 0.00 0.00 33.50 31.56 3f1g n PRO 98 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 3f1g n LEU 99 N 10.41 0.00 -4.20 2.45 4.77 -1.26 -4.84 117.00 124.32 3f1g n LEU 99 Ca 0.43 0.00 -0.35 0.00 -0.03 0.00 0.00 56.01 56.06 3f1g n LEU 99 Cb 0.34 0.00 0.08 0.00 -2.33 0.00 0.00 43.42 41.52 3f1g n LEU 99 CO 0.75 0.00 -0.77 -0.38 -1.33 0.00 0.00 177.39 175.67 3f1g n ILE 100 N 0.00 0.00 -0.04 -0.08 -0.00 -1.26 -4.55 119.36 113.43 3f1g n ILE 100 Ca 0.00 -0.32 -0.00 0.00 -0.00 0.00 0.00 62.75 62.42 3f1g n ILE 100 Cb 0.00 -0.32 -0.01 0.00 -0.00 0.00 0.00 39.64 39.32 3f1g n ILE 100 CO 0.00 0.00 0.00 0.61 -0.00 0.00 0.00 176.55 177.16 3f1g n GLY 101 N 2.50 0.92 3.61 7.39 0.00 -1.26 -4.86 105.19 113.49 3f1g n GLY 101 Ca 0.02 -0.04 -0.33 0.00 0.00 0.00 0.00 46.02 45.68 3f1g n GLY 101 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3f1g n GLY 102 N 2.62 -0.66 0.41 -0.02 0.00 -1.26 -4.83 105.19 101.45 3f1g n GLY 102 Ca 0.01 -0.62 0.20 0.00 0.00 0.00 0.00 46.02 45.61 3f1g n GLY 102 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 3f1g h GLY 103 N -1.40 0.00 -5.01 -0.02 0.00 -1.89 -3.41 103.07 91.34 3f1g h GLY 103 Ca -0.44 0.00 -0.54 0.00 0.00 0.00 0.00 47.33 46.35 3f1g h GLY 103 CO 0.41 0.00 1.01 1.08 0.00 0.00 0.00 176.54 179.04 3f1g s LEU 104 N -6.76 4.35 -0.04 3.11 1.43 -1.26 -4.98 118.68 114.53 3f1g s LEU 104 Ca -0.03 2.41 -0.28 0.00 -1.03 0.00 0.00 54.13 55.19 3f1g s LEU 104 Cb 0.13 -3.56 -0.03 0.00 0.03 0.00 0.00 46.19 42.77 3f1g s LEU 104 CO 0.45 -0.88 0.90 -0.94 0.23 0.00 0.00 176.35 176.11 3f1g s SER 105 N 2.62 7.24 0.00 2.29 1.04 -1.26 -5.08 113.70 120.55 3f1g s SER 105 Ca 0.73 1.50 0.09 0.00 0.48 0.00 0.00 55.95 58.76 3f1g s SER 105 Cb -0.38 -2.52 0.54 0.00 0.10 0.00 0.00 66.02 63.76 3f1g s SER 105 CO 0.32 -0.25 0.99 0.00 0.98 0.00 0.00 173.24 175.28