#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2cfh n ASP 3 N 0.00 0.18 0.31 0.00 2.03 -1.26 -4.83 116.55 112.98 2cfh n ASP 3 Ca 0.00 0.97 0.20 0.00 0.52 0.00 0.00 54.79 56.48 2cfh n ASP 3 Cb 0.00 -1.23 0.96 0.00 -0.72 0.00 0.00 41.12 40.13 2cfh n ASP 3 CO 0.00 0.00 0.00 1.05 -1.92 0.00 0.00 177.20 176.33 2cfh h GLU 4 N 1.12 0.00 -1.00 -0.67 4.11 -2.01 -1.75 114.58 114.39 2cfh h GLU 4 Ca -0.42 0.00 0.17 0.00 0.07 0.00 0.00 59.36 59.18 2cfh h GLU 4 Cb 1.37 0.00 -0.10 0.00 0.50 0.00 0.00 28.75 30.52 2cfh h GLU 4 CO 0.54 0.00 0.62 0.00 0.07 0.00 0.00 179.01 180.24 2cfh h ALA 5 N 2.00 1.66 -0.16 1.06 0.00 -1.99 0.23 119.26 122.06 2cfh h ALA 5 Ca 0.00 0.06 -0.06 0.00 0.00 0.00 0.00 54.91 54.91 2cfh h ALA 5 Cb 0.25 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 17.92 2cfh h ALA 5 CO 0.00 0.01 -0.13 -0.07 0.00 0.00 0.00 179.25 179.06 2cfh h LEU 6 N 0.82 0.39 -0.67 0.00 3.38 -1.65 -1.41 115.31 116.16 2cfh h LEU 6 Ca 0.55 -0.46 0.04 0.00 0.09 0.00 0.00 57.88 58.10 2cfh h LEU 6 Cb 0.79 -0.11 -0.05 0.00 0.09 0.00 0.00 40.66 41.38 2cfh h LEU 6 CO -0.33 0.77 0.39 0.15 0.09 0.00 0.00 178.44 179.51 2cfh h PHE 7 N 0.01 0.73 -0.67 1.13 3.57 -1.56 -0.56 116.94 119.59 2cfh h PHE 7 Ca 0.03 0.02 -0.06 0.00 3.53 0.00 0.00 57.97 61.49 2cfh h PHE 7 Cb 0.65 -0.23 -0.03 0.00 2.79 0.00 0.00 35.95 39.13 2cfh h PHE 7 CO 0.08 0.38 0.18 -0.07 -2.23 0.00 0.00 178.31 176.65 2cfh h LEU 8 N 0.75 1.00 -0.54 0.59 3.38 -0.75 -0.01 115.31 119.72 2cfh h LEU 8 Ca 0.29 -0.22 -0.14 0.00 0.09 0.00 0.00 57.88 57.90 2cfh h LEU 8 Cb 0.11 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 40.58 2cfh h LEU 8 CO -0.15 0.96 -0.28 -0.07 0.09 0.00 0.00 178.44 178.99 2cfh h LEU 9 N 0.99 0.91 -0.34 1.67 3.38 -1.12 -1.03 115.31 119.76 2cfh h LEU 9 Ca 0.21 -0.37 -0.02 0.00 0.09 0.00 0.00 57.88 57.80 2cfh h LEU 9 Cb 0.34 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 40.82 2cfh h LEU 9 CO -0.00 1.13 0.14 0.25 0.09 0.00 0.00 178.44 180.04 2cfh h LEU 10 N 0.74 0.47 0.15 1.67 6.46 -0.88 0.22 115.31 124.14 2cfh h LEU 10 Ca 0.09 -0.17 -0.00 0.00 -0.12 0.00 0.00 57.88 57.67 2cfh h LEU 10 Cb 0.84 -0.12 -0.00 0.00 -0.73 0.00 0.00 40.66 40.64 2cfh h LEU 10 CO 0.07 0.51 -0.10 -0.74 -0.62 0.00 0.00 178.44 177.57 2cfh h HIS 11 N 0.41 -0.26 -0.98 1.25 2.76 -0.93 0.88 115.15 118.27 2cfh h HIS 11 Ca 0.11 -0.00 0.05 0.00 -2.20 0.00 0.00 60.37 58.33 2cfh h HIS 11 Cb 0.19 0.09 -0.06 0.00 1.55 0.00 0.00 27.41 29.18 2cfh h HIS 11 CO -0.00 -0.16 0.64 -0.97 -1.30 0.00 0.00 177.93 176.14 2cfh h ASN 12 N -0.25 1.05 -0.33 3.26 -1.24 -1.02 -1.07 115.58 115.98 2cfh h ASN 12 Ca -0.01 -0.00 -0.12 0.00 0.71 0.00 0.00 56.30 56.88 2cfh h ASN 12 Cb 0.21 -0.23 -0.01 0.00 0.73 0.00 0.00 38.32 39.02 2cfh h ASN 12 CO 0.01 0.70 -0.22 -0.08 -1.29 0.00 0.00 177.43 176.54 2cfh h GLU 13 N 1.20 0.82 -0.45 6.67 4.57 -0.16 0.21 114.58 127.45 2cfh h GLU 13 Ca 0.40 -0.33 -0.06 0.00 -1.18 0.00 0.00 59.36 58.19 2cfh h GLU 13 Cb 0.06 -0.04 -0.02 0.00 -0.16 0.00 0.00 28.75 28.60 2cfh h GLU 13 CO -0.14 0.96 0.05 0.52 -1.18 0.00 0.00 179.01 179.22 2cfh h MET 14 N 0.71 0.75 -0.26 1.92 2.86 -0.32 0.57 114.93 121.16 2cfh h MET 14 Ca 0.10 -0.21 -0.08 0.00 -2.06 0.00 0.00 59.70 57.45 2cfh h MET 14 Cb 0.74 -0.08 -0.01 0.00 0.06 0.00 0.00 31.60 32.32 2cfh h MET 14 CO 0.06 0.78 -0.16 0.28 1.06 0.00 0.00 176.91 178.94 2cfh h VAL 15 N 0.61 1.30 0.00 -2.22 2.07 -1.07 -0.54 116.25 116.40 2cfh h VAL 15 Ca 0.13 -1.26 0.00 0.00 0.82 0.00 0.00 66.70 66.39 2cfh h VAL 15 Cb 0.41 1.56 0.00 0.00 -1.52 0.00 0.00 31.29 31.74 2cfh h VAL 15 CO 0.01 0.40 -0.72 -1.54 0.02 0.00 0.00 177.57 175.73 2cfh n SER 16 N -4.43 0.62 0.00 0.57 3.41 0.05 -2.20 113.62 111.64 2cfh n SER 16 Ca -0.04 -0.28 0.00 0.00 -0.26 0.00 0.00 58.87 58.29 2cfh n SER 16 Cb 0.38 0.48 0.00 0.00 -0.26 0.00 0.00 64.21 64.81 2cfh n SER 16 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2cfh n GLY 17 N 1.44 0.88 0.33 5.00 0.00 0.19 -4.57 105.19 108.47 2cfh n GLY 17 Ca 0.04 0.00 0.14 0.00 0.00 0.00 0.00 46.02 46.20 2cfh n GLY 17 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 2cfh h VAL 18 N 0.00 0.07 -0.14 1.61 2.07 -1.64 -2.27 116.25 115.96 2cfh h VAL 18 Ca 0.00 -0.01 -0.05 0.00 0.82 0.00 0.00 66.70 67.46 2cfh h VAL 18 Cb 0.00 0.04 -0.03 0.00 -1.52 0.00 0.00 31.29 29.78 2cfh h VAL 18 CO 0.00 0.01 -0.18 -1.22 0.02 0.00 0.00 177.57 176.20 2cfh n TYR 19 N -5.45 0.45 -2.61 1.57 4.01 -0.21 -4.94 117.16 109.97 2cfh n TYR 19 Ca 0.23 -1.30 -0.42 0.00 -0.16 0.00 0.00 57.90 56.24 2cfh n TYR 19 Cb 0.74 -0.30 -0.03 0.00 -0.31 0.00 0.00 39.34 39.44 2cfh n TYR 19 CO 0.00 0.00 0.00 0.21 -0.46 0.00 0.00 176.86 176.61 2cfh s LYS 20 N -3.09 4.53 0.12 -0.72 2.20 -0.86 -4.67 119.74 117.26 2cfh s LYS 20 Ca 0.39 1.55 -0.30 0.00 -0.36 0.00 0.00 55.97 57.24 2cfh s LYS 20 Cb 0.35 -3.41 -0.07 0.00 -1.51 0.00 0.00 37.83 33.19 2cfh s LYS 20 CO -0.00 -0.09 1.22 0.45 -0.36 0.00 0.00 175.35 176.57 2cfh s SER 21 N 0.90 7.05 0.00 1.43 0.15 -1.26 -4.90 113.70 117.07 2cfh s SER 21 Ca 0.54 2.14 0.04 0.00 0.70 0.00 0.00 55.95 59.37 2cfh s SER 21 Cb -0.24 -2.59 0.26 0.00 -1.71 0.00 0.00 66.02 61.74 2cfh s SER 21 CO 0.29 -0.45 0.63 0.00 1.20 0.00 0.00 173.24 174.91 2cfh n ALA 22 N 3.37 1.83 -2.92 5.45 0.00 -1.26 -4.84 120.51 122.14 2cfh n ALA 22 Ca 0.07 -0.03 -0.19 0.00 0.00 0.00 0.00 53.44 53.29 2cfh n ALA 22 Cb 0.45 -1.07 0.03 0.00 0.00 0.00 0.00 19.45 18.86 2cfh n ALA 22 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 2cfh n GLU 23 N -0.73 -4.31 0.02 0.00 -0.58 -1.26 -4.88 120.64 108.90 2cfh n GLU 23 Ca 0.03 0.79 -0.03 0.00 -0.42 0.00 0.00 57.16 57.54 2cfh n GLU 23 Cb 0.02 -5.41 0.23 0.00 -0.57 0.00 0.00 31.44 25.71 2cfh n GLU 23 CO 0.00 0.00 0.00 0.37 -0.48 0.00 0.00 177.13 177.02 2cfh h GLN 24 N -1.23 0.47 0.00 3.49 4.15 -1.97 -3.48 115.11 116.54 2cfh h GLN 24 Ca -0.46 -0.16 0.00 0.00 0.77 0.00 0.00 58.65 58.80 2cfh h GLN 24 Cb 1.32 -0.04 0.00 0.00 0.21 0.00 0.00 27.48 28.97 2cfh h GLN 24 CO 0.50 0.66 0.00 0.41 -1.93 0.00 0.00 178.83 178.46 2cfh n GLY 25 N -0.49 -1.58 0.27 2.39 0.00 -1.26 -5.00 105.19 99.51 2cfh n GLY 25 Ca -0.00 -1.06 -0.02 0.00 0.00 0.00 0.00 46.02 44.94 2cfh n GLY 25 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 2cfh h GLU 26 N 0.00 0.60 -0.24 1.61 5.08 -1.98 -2.08 114.58 117.57 2cfh h GLU 26 Ca 0.00 -0.15 -0.02 0.00 -1.00 0.00 0.00 59.36 58.19 2cfh h GLU 26 Cb 0.00 -0.08 -0.01 0.00 0.50 0.00 0.00 28.75 29.16 2cfh h GLU 26 CO 0.00 0.64 0.07 0.28 -1.00 0.00 0.00 179.01 179.00 2cfh h VAL 27 N 0.56 1.20 -0.04 3.13 2.07 -1.98 0.35 116.25 121.53 2cfh h VAL 27 Ca 0.11 -0.65 -0.00 0.00 0.82 0.00 0.00 66.70 66.99 2cfh h VAL 27 Cb 0.40 1.18 -0.00 0.00 -1.52 0.00 0.00 31.29 31.35 2cfh h VAL 27 CO 0.02 0.21 0.02 -0.08 0.02 0.00 0.00 177.57 177.75 2cfh h GLU 28 N 0.21 0.06 -0.28 1.57 4.81 -1.93 0.22 114.58 119.25 2cfh h GLU 28 Ca 0.08 -0.01 0.06 0.00 -0.13 0.00 0.00 59.36 59.36 2cfh h GLU 28 Cb 0.26 -0.01 -0.06 0.00 0.63 0.00 0.00 28.75 29.56 2cfh h GLU 28 CO -0.00 0.18 -0.13 -0.91 -0.73 0.00 0.00 179.01 177.42 2cfh h ASN 29 N -0.07 -0.44 -0.37 1.04 -0.26 -1.32 -2.55 115.58 111.62 2cfh h ASN 29 Ca 0.01 0.11 0.05 0.00 -0.56 0.00 0.00 56.30 55.91 2cfh h ASN 29 Cb 0.14 0.24 -0.05 0.00 -1.06 0.00 0.00 38.32 37.60 2cfh h ASN 29 CO -0.00 -0.16 0.09 1.23 -1.06 0.00 0.00 177.43 177.52 2cfh h GLY 30 N -0.09 0.44 -1.43 2.83 0.00 -0.07 -1.41 103.07 103.34 2cfh h GLY 30 Ca 0.14 -0.03 0.00 0.00 0.00 0.00 0.00 47.33 47.44 2cfh h GLY 30 CO -0.33 -0.02 0.00 0.54 0.00 0.00 0.00 176.54 176.73 2cfh n ARG 31 N -5.08 0.16 0.00 4.80 1.74 0.05 -1.27 116.66 117.06 2cfh n ARG 31 Ca 0.02 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.10 2cfh n ARG 31 Cb 0.16 -1.23 0.00 0.00 -1.02 0.00 0.00 32.46 30.37 2cfh n ARG 31 CO 0.00 0.00 0.00 -0.89 -1.52 0.00 0.00 177.63 175.22 2cfh n ILE 33 N 0.64 0.00 -0.14 0.55 2.08 -0.53 -1.79 119.36 120.16 2cfh n ILE 33 Ca 0.00 0.00 -0.08 0.00 0.56 0.00 0.00 62.75 63.23 2cfh n ILE 33 Cb 0.06 0.00 0.08 0.00 -0.75 0.00 0.00 39.64 39.02 2cfh n ILE 33 CO 0.00 0.00 0.00 0.74 0.56 0.00 0.00 176.55 177.85 2cfh h THR 34 N 0.00 1.26 -0.53 1.39 2.02 -1.44 -1.62 112.91 113.99 2cfh h THR 34 Ca 0.00 -1.20 0.01 0.00 0.77 0.00 0.00 66.41 65.98 2cfh h THR 34 Cb 0.00 0.98 -0.03 0.00 -1.74 0.00 0.00 68.15 67.36 2cfh h THR 34 CO 0.00 0.42 0.35 0.11 0.37 0.00 0.00 175.52 176.77 2cfh h LYS 35 N 0.81 0.69 -0.39 6.66 1.57 -1.62 0.22 116.57 124.52 2cfh h LYS 35 Ca 0.13 -0.04 -0.03 0.00 -1.87 0.00 0.00 60.65 58.84 2cfh h LYS 35 Cb 0.62 -0.16 -0.02 0.00 0.08 0.00 0.00 32.23 32.75 2cfh h LYS 35 CO 0.04 0.46 0.11 -0.07 -0.57 0.00 0.00 179.45 179.42 2cfh h LEU 36 N 0.71 0.58 -0.31 2.94 3.38 -1.83 -1.60 115.31 119.18 2cfh h LEU 36 Ca 0.20 -0.22 -0.06 0.00 0.09 0.00 0.00 57.88 57.89 2cfh h LEU 36 Cb -0.08 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 40.51 2cfh h LEU 36 CO -0.05 0.65 -0.04 -0.08 0.09 0.00 0.00 178.44 179.01 2cfh h GLU 37 N 0.49 0.57 -0.65 1.13 4.22 -1.07 -1.13 114.58 118.15 2cfh h GLU 37 Ca 0.13 -0.20 0.03 0.00 0.08 0.00 0.00 59.36 59.39 2cfh h GLU 37 Cb 0.28 -0.04 -0.04 0.00 0.50 0.00 0.00 28.75 29.45 2cfh h GLU 37 CO -0.00 0.73 0.40 -0.91 -2.18 0.00 0.00 179.01 177.05 2cfh h ASN 38 N 0.35 0.66 -0.63 1.04 -0.26 -0.56 0.97 115.58 117.15 2cfh h ASN 38 Ca 0.08 -0.00 0.05 0.00 -0.56 0.00 0.00 56.30 55.87 2cfh h ASN 38 Cb 0.50 -0.14 -0.05 0.00 -1.06 0.00 0.00 38.32 37.57 2cfh h ASN 38 CO 0.02 0.46 0.36 0.24 -1.06 0.00 0.00 177.43 177.45 2cfh h MET 39 N 0.80 0.66 -0.88 0.81 2.86 -1.16 -1.75 114.93 116.26 2cfh h MET 39 Ca 0.26 -0.04 -0.01 0.00 -2.06 0.00 0.00 59.70 57.84 2cfh h MET 39 Cb 0.01 -0.15 -0.04 0.00 0.06 0.00 0.00 31.60 31.47 2cfh h MET 39 CO -0.10 0.44 0.50 0.78 1.06 0.00 0.00 176.91 179.58 2cfh h GLY 40 N 0.68 1.31 0.64 8.32 0.00 -0.20 -1.65 103.07 112.17 2cfh h GLY 40 Ca 0.27 -0.58 0.07 0.00 0.00 0.00 0.00 47.33 47.10 2cfh h GLY 40 CO -0.16 0.56 0.49 -2.75 0.00 0.00 0.00 176.54 174.69 2cfh h PHE 41 N 1.23 0.91 -0.27 5.60 3.57 -0.30 0.97 116.94 128.64 2cfh h PHE 41 Ca 0.31 0.03 -0.12 0.00 3.53 0.00 0.00 57.97 61.72 2cfh h PHE 41 Cb 0.01 -0.29 -0.00 0.00 2.79 0.00 0.00 35.95 38.46 2cfh h PHE 41 CO 0.01 0.42 -0.29 0.00 -2.23 0.00 0.00 178.31 176.22 2cfh h ARG 42 N 0.87 0.67 -0.43 1.11 -0.00 -0.57 -2.45 114.38 113.58 2cfh h ARG 42 Ca 0.38 -0.37 -0.03 0.00 -0.50 0.00 0.00 59.98 59.46 2cfh h ARG 42 Cb 0.25 0.02 -0.02 0.00 0.00 0.00 0.00 29.97 30.22 2cfh h ARG 42 CO -0.20 0.98 0.15 0.28 0.00 0.00 0.00 179.97 181.17 2cfh h VAL 43 N 0.40 1.18 0.12 2.04 2.07 -0.91 -1.96 116.25 119.19 2cfh h VAL 43 Ca 0.04 -0.57 -0.01 0.00 0.82 0.00 0.00 66.70 66.98 2cfh h VAL 43 Cb 0.86 0.69 0.00 0.00 -1.52 0.00 0.00 31.29 31.32 2cfh h VAL 43 CO 0.07 0.22 -0.06 1.23 0.02 0.00 0.00 177.57 179.05 2cfh h GLY 44 N 0.80 -0.16 -0.46 2.17 0.00 -0.67 0.13 103.07 104.87 2cfh h GLY 44 Ca 0.15 0.06 0.17 0.00 0.00 0.00 0.00 47.33 47.71 2cfh h GLY 44 CO -0.01 -0.06 -0.07 1.46 0.00 0.00 0.00 176.54 177.86 2cfh h GLN 45 N -0.46 0.05 -0.03 4.80 4.20 -1.37 -2.33 115.11 119.98 2cfh h GLN 45 Ca -0.02 -0.00 -0.16 0.00 0.06 0.00 0.00 58.65 58.53 2cfh h GLN 45 Cb 0.38 -0.01 -0.01 0.00 0.30 0.00 0.00 27.48 28.13 2cfh h GLN 45 CO 0.03 0.04 -0.71 0.78 -0.67 0.00 0.00 178.83 178.29 2cfh h GLY 46 N 0.05 0.20 1.12 3.46 0.00 -0.97 -1.97 103.07 104.97 2cfh h GLY 46 Ca 0.41 -0.28 -0.07 0.00 0.00 0.00 0.00 47.33 47.39 2cfh h GLY 46 CO -0.73 0.25 0.17 1.41 0.00 0.00 0.00 176.54 177.64 2cfh h LEU 47 N 0.12 1.02 0.19 3.11 3.38 -0.62 -1.74 115.31 120.76 2cfh h LEU 47 Ca -0.02 -0.21 -0.01 0.00 0.09 0.00 0.00 57.88 57.73 2cfh h LEU 47 Cb 1.26 -0.27 0.00 0.00 0.09 0.00 0.00 40.66 41.74 2cfh h LEU 47 CO 0.11 0.98 -0.09 0.40 0.09 0.00 0.00 178.44 179.93 2cfh h ILE 48 N 1.03 0.88 -0.77 1.22 1.08 -1.34 -0.24 117.51 119.37 2cfh h ILE 48 Ca 0.22 -0.34 0.17 0.00 -0.39 0.00 0.00 64.86 64.52 2cfh h ILE 48 Cb 0.36 1.09 -0.11 0.00 -3.07 0.00 0.00 36.82 35.09 2cfh h ILE 48 CO 0.00 0.08 0.25 -0.33 -0.69 0.00 0.00 178.15 177.46 2cfh h GLU 49 N -0.41 0.33 -0.01 2.37 5.08 -1.36 0.10 114.58 120.68 2cfh h GLU 49 Ca -0.03 -0.02 -0.03 0.00 -1.00 0.00 0.00 59.36 58.29 2cfh h GLU 49 Cb 0.32 -0.07 0.00 0.00 0.50 0.00 0.00 28.75 29.50 2cfh h GLU 49 CO 0.04 0.22 -0.11 -0.09 -1.00 0.00 0.00 179.01 178.07 2cfh h ARG 50 N 0.34 0.09 -0.31 2.33 9.65 -1.13 -3.37 114.38 121.97 2cfh h ARG 50 Ca 0.44 -0.08 0.00 0.00 -1.10 0.00 0.00 59.98 59.24 2cfh h ARG 50 Cb 0.76 0.02 0.00 0.00 -1.39 0.00 0.00 29.97 29.36 2cfh h ARG 50 CO -0.49 0.81 0.00 1.19 2.80 0.00 0.00 179.97 184.28 2cfh n PHE 51 N -4.63 0.69 -2.78 2.20 3.72 -0.12 -4.77 117.46 111.76 2cfh n PHE 51 Ca -0.09 -0.66 -0.10 0.00 -0.05 0.00 0.00 57.45 56.55 2cfh n PHE 51 Cb 0.42 -0.16 0.06 0.00 -0.94 0.00 0.00 39.48 38.87 2cfh n PHE 51 CO 0.00 0.00 0.00 2.41 -0.05 0.00 0.00 176.76 179.12 2cfh n THR 52 N 0.08 -0.03 0.12 4.37 -1.04 0.35 -4.89 114.28 113.23 2cfh n THR 52 Ca 0.16 -1.78 0.03 0.00 -2.04 0.00 0.00 64.05 60.43 2cfh n THR 52 Cb 0.63 1.28 0.19 0.00 -1.82 0.00 0.00 70.33 70.61 2cfh n THR 52 CO 0.00 0.00 0.00 1.17 -0.64 0.00 0.00 175.07 175.60 2cfh n LYS 53 N 0.79 2.83 -2.71 -2.82 4.81 -1.26 -3.96 118.16 115.85 2cfh n LYS 53 Ca 0.09 -1.49 -0.39 0.00 -0.87 0.00 0.00 58.31 55.64 2cfh n LYS 53 Cb 0.67 -1.85 0.01 0.00 0.02 0.00 0.00 35.03 33.88 2cfh n LYS 53 CO 0.00 0.00 0.00 -0.25 1.17 0.00 0.00 177.40 178.32 2cfh n ASP 54 N 0.31 6.89 0.18 3.14 9.92 -1.26 -4.73 116.55 131.00 2cfh n ASP 54 Ca 0.13 -3.67 0.05 0.00 -0.53 0.00 0.00 54.79 50.77 2cfh n ASP 54 Cb 0.69 -1.08 0.26 0.00 -0.64 0.00 0.00 41.12 40.34 2cfh n ASP 54 CO 0.00 0.00 0.00 0.74 0.13 0.00 0.00 177.20 178.07 2cfh h THR 55 N 2.39 0.86 -0.07 -3.53 2.02 -1.98 -3.14 112.91 109.46 2cfh h THR 55 Ca 0.46 -1.70 -0.07 0.00 0.77 0.00 0.00 66.41 65.87 2cfh h THR 55 Cb 0.36 2.06 -0.01 0.00 -1.74 0.00 0.00 68.15 68.82 2cfh h THR 55 CO 1.13 0.40 -0.26 0.00 0.37 0.00 0.00 175.52 177.16 2cfh h ALA 56 N 1.59 1.43 -0.54 6.16 0.00 -1.94 -3.34 119.26 122.61 2cfh h ALA 56 Ca -0.00 -0.28 0.00 0.00 0.00 0.00 0.00 54.91 54.63 2cfh h ALA 56 Cb 1.03 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.75 2cfh h ALA 56 CO 0.05 0.41 0.00 2.89 0.00 0.00 0.00 179.25 182.60 2cfh n ARG 57 N -4.18 2.64 -0.07 0.00 0.00 -1.19 -3.84 116.66 110.02 2cfh n ARG 57 Ca -0.01 -2.11 -0.07 0.00 -0.00 0.00 0.00 57.85 55.66 2cfh n ARG 57 Cb 0.35 -1.57 -0.04 0.00 -0.00 0.00 0.00 32.46 31.19 2cfh n ARG 57 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 177.63 178.37 2cfh h PHE 58 N 3.25 0.00 -6.42 2.89 0.04 -1.76 -3.49 116.94 111.45 2cfh h PHE 58 Ca 0.00 0.00 -0.48 0.00 2.80 0.00 0.00 57.97 60.29 2cfh h PHE 58 Cb 0.93 0.00 0.01 0.00 2.20 0.00 0.00 35.95 39.09 2cfh h PHE 58 CO 0.47 0.40 -0.92 1.17 -0.60 0.00 0.00 178.31 178.82 2cfh n LYS 59 N -4.64 -2.17 0.00 1.51 4.81 -1.25 -4.76 118.16 111.65 2cfh n LYS 59 Ca -0.09 0.40 0.00 0.00 -0.87 0.00 0.00 58.31 57.75 2cfh n LYS 59 Cb 0.27 -4.19 0.00 0.00 0.02 0.00 0.00 35.03 31.13 2cfh n LYS 59 CO 0.00 0.00 0.00 -0.40 1.17 0.00 0.00 177.40 178.17 2cfh n ASP 60 N -2.78 0.00 -0.11 3.14 5.68 -1.26 -4.93 116.55 116.29 2cfh n ASP 60 Ca -0.20 0.00 -0.06 0.00 -0.50 0.00 0.00 54.79 54.03 2cfh n ASP 60 Cb 0.64 0.00 0.01 0.00 -1.14 0.00 0.00 41.12 40.62 2cfh n ASP 60 CO 0.00 0.00 0.00 -0.08 -1.33 0.00 0.00 177.20 175.79 2cfh h GLU 61 N 0.00 -0.14 -0.72 0.11 4.81 -1.99 -1.20 114.58 115.45 2cfh h GLU 61 Ca 0.00 0.01 -0.01 0.00 -0.13 0.00 0.00 59.36 59.23 2cfh h GLU 61 Cb 0.00 0.03 -0.03 0.00 0.63 0.00 0.00 28.75 29.38 2cfh h GLU 61 CO 0.00 -0.09 0.41 -0.07 -0.73 0.00 0.00 179.01 178.53 2cfh h LEU 62 N -0.15 0.87 -0.79 1.64 -0.00 -1.96 0.13 115.31 115.06 2cfh h LEU 62 Ca 0.19 -0.06 -0.06 0.00 -0.00 0.00 0.00 57.88 57.95 2cfh h LEU 62 Cb 0.44 -0.22 -0.03 0.00 -0.00 0.00 0.00 40.66 40.85 2cfh h LEU 62 CO -0.47 0.69 0.18 0.44 -0.00 0.00 0.00 178.44 179.28 2cfh h ASP 63 N 1.00 1.03 -0.39 -0.43 3.32 -1.55 -0.70 116.42 118.71 2cfh h ASP 63 Ca 0.26 -0.21 -0.07 0.00 0.02 0.00 0.00 57.03 57.03 2cfh h ASP 63 Cb -0.01 -0.27 -0.01 0.00 0.22 0.00 0.00 39.33 39.26 2cfh h ASP 63 CO -0.05 0.98 -0.03 0.40 -1.72 0.00 0.00 179.24 178.83 2cfh h ILE 64 N 1.05 1.27 -0.21 0.35 2.04 -0.41 0.52 117.51 122.11 2cfh h ILE 64 Ca 0.22 -1.06 -0.10 0.00 1.00 0.00 0.00 64.86 64.93 2cfh h ILE 64 Cb 0.34 1.17 -0.01 0.00 -0.74 0.00 0.00 36.82 37.57 2cfh h ILE 64 CO -0.00 0.36 -0.28 0.24 0.00 0.00 0.00 178.15 178.46 2cfh h MET 65 N 0.53 0.41 -0.67 2.37 2.86 -0.77 -1.51 114.93 118.15 2cfh h MET 65 Ca 0.11 -0.16 -0.01 0.00 -2.06 0.00 0.00 59.70 57.58 2cfh h MET 65 Cb 0.52 -0.02 -0.03 0.00 0.06 0.00 0.00 31.60 32.12 2cfh h MET 65 CO 0.03 0.66 0.37 0.87 1.06 0.00 0.00 176.91 179.90 2cfh h LYS 66 N 0.36 0.93 -0.42 1.72 1.57 -0.69 -1.80 116.57 118.23 2cfh h LYS 66 Ca 0.05 -0.10 -0.01 0.00 -1.87 0.00 0.00 60.65 58.72 2cfh h LYS 66 Cb 0.68 -0.18 -0.02 0.00 0.08 0.00 0.00 32.23 32.79 2cfh h LYS 66 CO 0.05 0.69 0.23 0.35 -0.57 0.00 0.00 179.45 180.20 2cfh h PHE 67 N 0.91 0.58 -0.73 -1.35 3.57 -0.61 -2.19 116.94 117.12 2cfh h PHE 67 Ca 0.24 -0.01 0.06 0.00 3.53 0.00 0.00 57.97 61.78 2cfh h PHE 67 Cb 0.03 -0.19 -0.06 0.00 2.79 0.00 0.00 35.95 38.52 2cfh h PHE 67 CO -0.01 0.44 0.42 0.82 -2.23 0.00 0.00 178.31 177.76 2cfh h ILE 68 N 0.55 1.00 0.00 1.41 1.08 -1.11 -0.64 117.51 119.80 2cfh h ILE 68 Ca 0.15 -0.27 -0.08 0.00 -0.39 0.00 0.00 64.86 64.27 2cfh h ILE 68 Cb 0.05 0.15 -0.01 0.00 -3.07 0.00 0.00 36.82 33.94 2cfh h ILE 68 CO -0.02 0.14 -0.38 0.00 -0.69 0.00 0.00 178.15 177.20 2cfh n LYS 70 N -3.96 0.04 -0.04 0.00 -0.00 -0.85 -0.61 118.16 112.74 2cfh n LYS 70 Ca -0.02 0.01 -0.15 0.00 -0.00 0.00 0.00 58.31 58.16 2cfh n LYS 70 Cb 0.43 -0.36 -0.08 0.00 -0.00 0.00 0.00 35.03 35.02 2cfh n LYS 70 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.40 176.96 2cfh h ASP 71 N -0.07 0.51 -0.01 -5.58 3.32 -1.39 -2.35 116.42 110.85 2cfh h ASP 71 Ca 0.00 -0.59 -0.01 0.00 0.02 0.00 0.00 57.03 56.46 2cfh h ASP 71 Cb 0.07 -0.15 -0.00 0.00 0.22 0.00 0.00 39.33 39.47 2cfh h ASP 71 CO 0.00 1.00 -0.02 0.15 -1.72 0.00 0.00 179.24 178.66 2cfh h PHE 72 N 0.04 0.04 -0.78 4.55 3.57 -1.32 0.41 116.94 123.45 2cfh h PHE 72 Ca -0.01 -0.01 0.04 0.00 3.53 0.00 0.00 57.97 61.52 2cfh h PHE 72 Cb 0.94 -0.01 -0.04 0.00 2.79 0.00 0.00 35.95 39.63 2cfh h PHE 72 CO 0.11 0.56 0.52 2.35 -2.23 0.00 0.00 178.31 179.61 2cfh h TRP 73 N -0.49 0.93 -0.30 0.41 2.91 -1.40 -1.88 115.95 116.12 2cfh h TRP 73 Ca 0.00 0.02 -0.12 0.00 1.13 0.00 0.00 58.89 59.92 2cfh h TRP 73 Cb 0.55 -0.31 -0.01 0.00 -0.51 0.00 0.00 29.16 28.88 2cfh h TRP 73 CO 0.11 0.54 -0.31 1.15 -1.03 0.00 0.00 178.44 178.90 2cfh h THR 74 N 0.96 1.28 -0.44 2.65 2.02 -0.85 0.54 112.91 119.08 2cfh h THR 74 Ca 0.31 -1.43 0.01 0.00 0.77 0.00 0.00 66.41 66.07 2cfh h THR 74 Cb 0.05 1.39 -0.02 0.00 -1.74 0.00 0.00 68.15 67.83 2cfh h THR 74 CO -0.09 0.46 0.29 0.74 0.37 0.00 0.00 175.52 177.29 2cfh h THR 75 N 0.53 1.10 0.12 3.16 2.02 -0.14 -0.25 112.91 119.46 2cfh h THR 75 Ca 0.06 -0.20 -0.28 0.00 0.77 0.00 0.00 66.41 66.77 2cfh h THR 75 Cb 0.80 0.46 -0.00 0.00 -1.74 0.00 0.00 68.15 67.67 2cfh h THR 75 CO 0.07 0.11 -1.40 0.58 0.37 0.00 0.00 175.52 175.24 2cfh h VAL 76 N 0.59 1.05 -0.01 3.16 2.07 -1.19 -3.40 116.25 118.51 2cfh h VAL 76 Ca 0.16 -2.41 0.00 0.00 0.82 0.00 0.00 66.70 65.27 2cfh h VAL 76 Cb -0.06 2.75 0.00 0.00 -1.52 0.00 0.00 31.29 32.46 2cfh h VAL 76 CO -0.04 0.71 0.00 0.49 0.02 0.00 0.00 177.57 178.75 2cfh n PHE 77 N -3.91 0.02 -1.46 1.57 3.72 0.19 -4.99 117.46 112.60 2cfh n PHE 77 Ca -0.24 -0.35 -0.15 0.00 -0.05 0.00 0.00 57.45 56.65 2cfh n PHE 77 Cb 0.91 -0.03 -0.06 0.00 -0.94 0.00 0.00 39.48 39.35 2cfh n PHE 77 CO 0.00 0.00 0.00 1.63 -0.05 0.00 0.00 176.76 178.34 2cfh n LYS 78 N -0.30 -1.06 -3.79 -1.08 4.01 -0.11 -4.93 118.16 110.90 2cfh n LYS 78 Ca 0.01 1.03 -0.07 0.00 -0.51 0.00 0.00 58.31 58.77 2cfh n LYS 78 Cb 0.19 -5.18 -0.02 0.00 -0.51 0.00 0.00 35.03 29.51 2cfh n LYS 78 CO 0.00 0.00 0.00 -1.59 -1.11 0.00 0.00 177.40 174.70 2cfh s LYS 79 N -3.32 1.66 0.54 1.97 -2.85 -1.25 -4.94 119.74 111.55 2cfh s LYS 79 Ca 0.00 -0.89 -0.01 0.00 -1.00 0.00 0.00 55.97 54.07 2cfh s LYS 79 Cb 0.00 0.59 0.02 0.00 -2.06 0.00 0.00 37.83 36.38 2cfh s LYS 79 CO 0.00 -0.76 0.78 -0.65 0.10 0.00 0.00 175.35 174.82 2cfh s GLN 80 N -3.83 2.74 0.64 1.78 -0.21 -1.26 -2.09 119.66 117.43 2cfh s GLN 80 Ca 0.10 -0.52 -0.14 0.00 0.02 0.00 0.00 55.36 54.82 2cfh s GLN 80 Cb -0.05 -2.45 -0.02 0.00 1.00 0.00 0.00 33.01 31.49 2cfh s GLN 80 CO 0.04 -0.61 1.06 0.96 -2.12 0.00 0.00 175.29 174.62 2cfh s ILE 81 N -2.77 3.84 -0.06 1.08 -0.00 0.22 -4.97 121.20 118.55 2cfh s ILE 81 Ca 0.54 0.76 0.13 0.00 -0.00 0.00 0.00 60.65 62.09 2cfh s ILE 81 Cb -0.10 -3.36 -0.17 0.00 -0.00 0.00 0.00 42.46 38.83 2cfh s ILE 81 CO 0.40 -0.62 0.86 0.44 -0.00 0.00 0.00 174.94 176.02 2cfh h ASP 82 N -0.05 0.00 -3.42 4.36 3.32 -0.78 -3.46 116.42 116.39 2cfh h ASP 82 Ca -0.46 0.00 -0.12 0.00 0.02 0.00 0.00 57.03 56.47 2cfh h ASP 82 Cb 1.22 0.00 -0.26 0.00 0.22 0.00 0.00 39.33 40.51 2cfh h ASP 82 CO 0.57 0.82 -0.29 0.20 -1.72 0.00 0.00 179.24 178.81 2cfh s ASN 83 N -6.10 -0.48 -0.22 6.45 -0.87 -1.08 -4.99 114.94 107.65 2cfh s ASN 83 Ca -0.03 0.85 -0.05 0.00 -1.57 0.00 0.00 52.86 52.07 2cfh s ASN 83 Cb 0.08 0.77 -0.02 0.00 -0.02 0.00 0.00 41.25 42.07 2cfh s ASN 83 CO 0.81 -0.18 -0.01 -0.22 -2.57 0.00 0.00 177.10 174.93 2cfh s LEU 84 N 1.04 3.06 0.16 0.60 2.96 -1.26 -0.31 118.68 124.93 2cfh s LEU 84 Ca -0.07 -0.32 0.11 0.00 -0.22 0.00 0.00 54.13 53.63 2cfh s LEU 84 Cb -0.07 -1.79 -0.04 0.00 0.50 0.00 0.00 46.19 44.79 2cfh s LEU 84 CO -0.09 -0.00 -0.25 -0.13 -1.32 0.00 0.00 176.35 174.56 2cfh s ARG 85 N 1.40 1.42 0.03 1.98 0.52 -0.42 -4.96 118.95 118.91 2cfh s ARG 85 Ca 0.05 -1.41 -0.13 0.00 -0.52 0.00 0.00 55.73 53.71 2cfh s ARG 85 Cb -0.14 -1.79 0.02 0.00 0.52 0.00 0.00 34.95 33.55 2cfh s ARG 85 CO -0.01 0.40 0.29 -0.08 0.02 0.00 0.00 175.30 175.92 2cfh s THR 86 N -1.40 0.08 -2.29 0.02 -1.32 -1.26 -0.38 115.64 109.08 2cfh s THR 86 Ca 0.16 -0.67 0.25 0.00 -1.21 0.00 0.00 61.69 60.22 2cfh s THR 86 Cb -0.09 -0.86 0.19 0.00 -1.51 0.00 0.00 72.50 70.23 2cfh s THR 86 CO 0.08 -0.37 1.34 -0.46 -2.21 0.00 0.00 174.62 172.99 2cfh n ASN 87 N 0.74 1.98 -1.37 8.08 0.23 -0.95 -4.96 115.26 119.00 2cfh n ASN 87 Ca -0.19 -1.50 -0.16 0.00 -0.53 0.00 0.00 54.58 52.20 2cfh n ASN 87 Cb 0.59 0.21 -0.05 0.00 -2.08 0.00 0.00 39.78 38.45 2cfh n ASN 87 CO 0.00 0.00 0.00 1.41 -0.93 0.00 0.00 177.26 177.74 2cfh n HIS 88 N 0.22 -0.23 -2.30 -2.53 8.25 -1.26 -4.85 115.22 112.51 2cfh n HIS 88 Ca 0.13 0.00 0.04 0.00 -0.26 0.00 0.00 57.72 57.62 2cfh n HIS 88 Cb 0.46 -2.87 0.04 0.00 1.12 0.00 0.00 29.99 28.74 2cfh n HIS 88 CO 0.00 0.00 0.00 1.04 0.64 0.00 0.00 176.34 178.02 2cfh n GLN 89 N -2.53 0.21 0.00 -0.41 6.02 -1.26 -4.98 117.38 114.43 2cfh n GLN 89 Ca -0.16 -2.04 0.00 0.00 -0.01 0.00 0.00 57.00 54.78 2cfh n GLN 89 Cb 0.55 -0.28 0.00 0.00 1.02 0.00 0.00 30.24 31.53 2cfh n GLN 89 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2cfh n GLY 90 N 0.21 2.37 3.76 1.08 0.00 -1.26 -4.93 105.19 106.41 2cfh n GLY 90 Ca 0.07 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.73 2cfh n GLY 90 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2cfh s ILE 91 N -2.52 5.39 -0.00 -0.61 1.01 -1.26 -0.65 121.20 122.57 2cfh s ILE 91 Ca 0.00 0.29 0.05 0.00 0.00 0.00 0.00 60.65 60.99 2cfh s ILE 91 Cb 0.00 -3.50 -0.01 0.00 0.01 0.00 0.00 42.46 38.96 2cfh s ILE 91 CO 0.00 0.46 -0.15 -0.31 0.00 0.00 0.00 174.94 174.94 2cfh s TYR 92 N 0.12 1.35 -0.17 3.97 1.51 0.24 -2.24 117.35 122.13 2cfh s TYR 92 Ca 0.11 -0.27 0.01 0.00 -1.01 0.00 0.00 57.07 55.91 2cfh s TYR 92 Cb -0.12 -0.86 0.01 0.00 -0.11 0.00 0.00 41.96 40.88 2cfh s TYR 92 CO 0.01 -0.01 -0.17 0.08 -1.11 0.00 0.00 175.55 174.34 2cfh s VAL 93 N -0.41 2.40 -0.33 0.71 1.01 0.48 -0.56 120.40 123.70 2cfh s VAL 93 Ca 0.05 -0.85 -0.06 0.00 0.00 0.00 0.00 61.98 61.13 2cfh s VAL 93 Cb -0.06 -2.01 0.04 0.00 0.00 0.00 0.00 36.38 34.35 2cfh s VAL 93 CO -0.00 0.52 0.10 -0.76 0.00 0.00 0.00 175.10 174.95 2cfh s LEU 94 N 1.04 4.24 -0.23 3.92 1.02 -0.18 -1.30 118.68 127.20 2cfh s LEU 94 Ca -0.01 -1.10 -0.13 0.00 0.02 0.00 0.00 54.13 52.91 2cfh s LEU 94 Cb -0.14 -1.86 -0.04 0.00 0.02 0.00 0.00 46.19 44.16 2cfh s LEU 94 CO -0.05 -0.31 0.28 -1.58 0.02 0.00 0.00 176.35 174.71 2cfh s GLN 95 N 1.40 4.11 -0.26 1.70 0.74 0.58 -0.91 119.66 127.01 2cfh s GLN 95 Ca -0.01 -0.05 -0.02 0.00 0.05 0.00 0.00 55.36 55.33 2cfh s GLN 95 Cb -0.19 -3.55 0.03 0.00 1.10 0.00 0.00 33.01 30.39 2cfh s GLN 95 CO 0.03 -0.02 -0.03 0.34 -0.55 0.00 0.00 175.29 175.06 2cfh s ASP 96 N 1.12 4.53 0.26 6.67 -1.08 0.09 -0.01 116.67 128.26 2cfh s ASP 96 Ca 0.13 -0.93 0.05 0.00 -0.52 0.00 0.00 52.55 51.29 2cfh s ASP 96 Cb -0.14 -1.70 0.34 0.00 -1.46 0.00 0.00 42.92 39.96 2cfh s ASP 96 CO 0.07 -0.16 1.62 0.78 0.52 0.00 0.00 175.17 178.00 2cfh h ASN 97 N 8.04 0.26 -2.81 -0.34 2.35 -1.89 -3.30 115.58 117.88 2cfh h ASN 97 Ca -0.30 -0.13 -0.61 0.00 -0.55 0.00 0.00 56.30 54.71 2cfh h ASN 97 Cb 1.10 -0.07 -0.40 0.00 0.05 0.00 0.00 38.32 38.99 2cfh h ASN 97 CO 0.57 0.73 -0.74 -0.54 -1.65 0.00 0.00 177.43 175.80 2cfh s LYS 98 N -3.93 1.82 -0.12 0.81 -0.14 -1.26 -2.94 119.74 113.97 2cfh s LYS 98 Ca -0.04 -2.83 -0.29 0.00 -1.36 0.00 0.00 55.97 51.45 2cfh s LYS 98 Cb 0.13 -2.60 -0.03 0.00 -1.68 0.00 0.00 37.83 33.65 2cfh s LYS 98 CO 0.79 -1.33 1.38 0.12 -0.76 0.00 0.00 175.35 175.55 2cfh s PHE 99 N -0.82 2.61 0.30 3.18 5.36 -0.68 -4.88 117.98 123.05 2cfh s PHE 99 Ca 0.28 0.77 0.32 0.00 -0.96 0.00 0.00 56.93 57.34 2cfh s PHE 99 Cb -0.02 -3.63 1.49 0.00 -0.34 0.00 0.00 43.02 40.53 2cfh s PHE 99 CO -0.18 -2.34 2.05 0.00 -1.46 0.00 0.00 175.22 173.29 2cfh h ARG 100 N 8.54 0.00 -0.16 10.12 2.47 -1.96 -2.01 114.38 131.38 2cfh h ARG 100 Ca -0.31 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.41 2cfh h ARG 100 Cb 1.13 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 29.45 2cfh h ARG 100 CO 0.96 0.08 0.00 1.28 0.56 0.00 0.00 179.97 182.85 2cfh n LEU 101 N -3.32 1.97 -3.46 3.04 4.77 -1.26 -3.93 117.00 114.81 2cfh n LEU 101 Ca -0.01 -0.79 -0.37 0.00 -0.03 0.00 0.00 56.01 54.81 2cfh n LEU 101 Cb 0.27 -0.10 0.00 0.00 -2.33 0.00 0.00 43.42 41.26 2cfh n LEU 101 CO 0.28 0.39 1.08 0.18 -1.33 0.00 0.00 177.39 178.00 2cfh n LEU 102 N 0.53 6.57 0.00 2.23 4.77 -0.76 -4.54 117.00 125.79 2cfh n LEU 102 Ca 0.17 -5.47 0.00 0.00 -0.03 0.00 0.00 56.01 50.68 2cfh n LEU 102 Cb 0.39 -1.01 0.00 0.00 -2.33 0.00 0.00 43.42 40.47 2cfh n LEU 102 CO 0.14 2.12 -0.10 0.41 -1.33 0.00 0.00 177.39 178.64 2cfh n THR 103 N -0.08 0.00 1.15 -5.08 -1.04 -1.25 -4.96 114.28 103.02 2cfh n THR 103 Ca 0.42 -0.01 0.09 0.00 -2.04 0.00 0.00 64.05 62.51 2cfh n THR 103 Cb 0.30 0.23 0.55 0.00 -1.82 0.00 0.00 70.33 69.58 2cfh n THR 103 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2cfh n GLN 104 N -0.33 0.55 0.00 -2.82 1.13 -1.26 -5.19 117.38 109.47 2cfh n GLN 104 Ca 0.00 0.01 0.00 0.00 -1.94 0.00 0.00 57.00 55.07 2cfh n GLN 104 Cb 0.00 -1.50 0.00 0.00 0.11 0.00 0.00 30.24 28.85 2cfh n GLN 104 CO 0.00 0.00 0.00 0.98 -1.44 0.00 0.00 177.06 176.60 2cfh n TYR 111 N -1.03 0.00 -1.52 1.08 9.36 -1.26 -5.12 117.16 118.66 2cfh n TYR 111 Ca 0.14 0.00 -0.24 0.00 3.32 0.00 0.00 57.90 61.12 2cfh n TYR 111 Cb 0.07 0.00 -0.15 0.00 -0.63 0.00 0.00 39.34 38.64 2cfh n TYR 111 CO 0.00 0.00 0.00 1.28 0.22 0.00 0.00 176.86 178.36 2cfh n LEU 112 N 0.00 0.23 0.21 2.98 4.77 -1.26 -4.83 117.00 119.11 2cfh n LEU 112 Ca 0.00 -0.73 -0.15 0.00 -0.03 0.00 0.00 56.01 55.11 2cfh n LEU 112 Cb 0.00 -1.06 -0.07 0.00 -2.33 0.00 0.00 43.42 39.96 2cfh n LEU 112 CO 0.00 -1.72 0.68 -0.33 -1.33 0.00 0.00 177.39 174.69 2cfh h GLU 113 N 12.65 -0.61 -0.84 3.23 5.08 -2.07 -3.21 114.58 128.82 2cfh h GLU 113 Ca -0.02 0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.38 2cfh h GLU 113 Cb 1.13 0.14 0.00 0.00 0.50 0.00 0.00 28.75 30.52 2cfh h GLU 113 CO 1.35 -0.41 0.00 0.72 -1.00 0.00 0.00 179.01 179.67 2cfh n HIS 114 N -5.41 0.77 -0.22 4.33 -0.00 -1.26 -4.63 115.22 108.79 2cfh n HIS 114 Ca -0.10 -0.27 0.31 0.00 -0.00 0.00 0.00 57.72 57.67 2cfh n HIS 114 Cb 0.31 -0.25 0.68 0.00 -0.00 0.00 0.00 29.99 30.73 2cfh n HIS 114 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 2cfh h ALA 115 N 2.75 2.89 0.00 -1.41 0.00 -1.95 0.28 119.26 121.83 2cfh h ALA 115 Ca 0.00 -0.04 -0.07 0.00 0.00 0.00 0.00 54.91 54.80 2cfh h ALA 115 Cb 1.04 0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.90 2cfh h ALA 115 CO 0.18 -1.43 -0.35 0.66 0.00 0.00 0.00 179.25 178.31 2cfh h SER 116 N 0.00 0.00 -0.53 0.00 4.64 -1.90 -1.91 113.55 113.85 2cfh h SER 116 Ca 0.49 0.00 0.09 0.00 -0.47 0.00 0.00 61.79 61.90 2cfh h SER 116 Cb 2.29 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 64.35 2cfh h SER 116 CO -0.01 0.35 0.36 0.11 -0.87 0.00 0.00 176.83 176.77 2cfh h LYS 117 N 0.00 0.33 0.00 4.77 1.57 -0.82 -2.49 116.57 119.93 2cfh h LYS 117 Ca -0.00 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.76 2cfh h LYS 117 Cb 0.93 -0.07 0.00 0.00 0.08 0.00 0.00 32.23 33.17 2cfh h LYS 117 CO 0.05 0.22 0.00 0.66 -0.57 0.00 0.00 179.45 179.80 2cfh n TYR 118 N -4.46 0.00 0.03 -1.35 4.02 -0.72 -2.68 117.16 112.00 2cfh n TYR 118 Ca 0.08 0.00 0.10 0.00 -0.01 0.00 0.00 57.90 58.08 2cfh n TYR 118 Cb 0.36 -0.13 -0.16 0.00 -0.02 0.00 0.00 39.34 39.39 2cfh n TYR 118 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 176.86 177.13 2cfh n LEU 119 N -1.13 0.04 -0.10 7.72 4.77 -0.94 -4.70 117.00 122.66 2cfh n LEU 119 Ca 0.16 -0.02 -0.10 0.00 -0.03 0.00 0.00 56.01 56.02 2cfh n LEU 119 Cb 0.14 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.20 2cfh n LEU 119 CO 0.17 0.01 0.82 0.00 -1.33 0.00 0.00 177.39 177.06 2cfh h ALA 120 N 1.95 0.38 -0.75 -1.18 0.00 -1.56 -0.91 119.26 117.20 2cfh h ALA 120 Ca 0.00 -0.18 0.12 0.00 0.00 0.00 0.00 54.91 54.85 2cfh h ALA 120 Cb 0.94 -0.11 -0.08 0.00 0.00 0.00 0.00 17.79 18.54 2cfh h ALA 120 CO 0.00 0.06 0.35 0.35 0.00 0.00 0.00 179.25 180.00 2cfh h PHE 121 N 0.30 0.61 -0.04 0.00 3.57 -1.78 -2.53 116.94 117.07 2cfh h PHE 121 Ca 0.09 0.03 -0.15 0.00 3.53 0.00 0.00 57.97 61.48 2cfh h PHE 121 Cb 0.31 -0.16 -0.01 0.00 2.79 0.00 0.00 35.95 38.88 2cfh h PHE 121 CO 0.02 0.16 -0.63 1.15 -2.23 0.00 0.00 178.31 176.78 2cfh h THR 122 N 0.55 1.41 -0.85 4.41 2.02 -1.64 -0.26 112.91 118.55 2cfh h THR 122 Ca 0.39 -2.08 0.02 0.00 0.77 0.00 0.00 66.41 65.52 2cfh h THR 122 Cb 0.51 2.08 -0.05 0.00 -1.74 0.00 0.00 68.15 68.95 2cfh h THR 122 CO -0.33 0.61 0.56 0.00 0.37 0.00 0.00 175.52 176.73 2cfh h GLY 124 N 1.10 0.68 -0.37 0.00 0.00 -0.98 -1.70 103.07 101.80 2cfh h GLY 124 Ca 0.33 -0.82 0.12 0.00 0.00 0.00 0.00 47.33 46.96 2cfh h GLY 124 CO -0.09 0.73 -0.24 -2.00 0.00 0.00 0.00 176.54 174.95 2cfh h LEU 125 N 0.29 -0.85 0.01 3.11 5.85 -0.73 0.37 115.31 123.36 2cfh h LEU 125 Ca 0.00 0.21 -0.00 0.00 0.84 0.00 0.00 57.88 58.93 2cfh h LEU 125 Cb 1.03 0.48 0.00 0.00 0.37 0.00 0.00 40.66 42.54 2cfh h LEU 125 CO 0.09 -0.26 -0.00 0.40 -0.34 0.00 0.00 178.44 178.33 2cfh h ILE 126 N -0.07 1.21 -0.66 4.05 2.04 -1.44 -1.05 117.51 121.59 2cfh h ILE 126 Ca 0.28 -0.66 0.07 0.00 1.00 0.00 0.00 64.86 65.56 2cfh h ILE 126 Cb 0.52 1.66 -0.06 0.00 -0.74 0.00 0.00 36.82 38.20 2cfh h ILE 126 CO -0.68 0.17 0.35 -0.09 0.00 0.00 0.00 178.15 177.89 2cfh h ARG 127 N -0.29 0.61 -0.18 2.37 2.43 -0.70 -0.29 114.38 118.33 2cfh h ARG 127 Ca -0.00 -0.04 -0.18 0.00 -0.81 0.00 0.00 59.98 58.96 2cfh h ARG 127 Cb 0.28 -0.14 -0.00 0.00 -0.42 0.00 0.00 29.97 29.69 2cfh h ARG 127 CO 0.00 0.40 -0.60 0.78 -1.51 0.00 0.00 179.97 179.04 2cfh h GLY 128 N 0.63 0.67 0.93 2.80 0.00 -0.25 0.91 103.07 108.76 2cfh h GLY 128 Ca 0.31 -0.82 0.02 0.00 0.00 0.00 0.00 47.33 46.84 2cfh h GLY 128 CO -0.21 0.73 0.58 -1.33 0.00 0.00 0.00 176.54 176.31 2cfh h GLY 129 N 0.98 1.27 1.34 4.60 0.00 -0.92 -1.69 103.07 108.65 2cfh h GLY 129 Ca -0.00 -0.45 -0.24 0.00 0.00 0.00 0.00 47.33 46.64 2cfh h GLY 129 CO 0.12 0.41 -0.92 1.41 0.00 0.00 0.00 176.54 177.55 2cfh h LEU 130 N 1.15 0.77 -0.56 3.11 3.38 -0.79 -2.90 115.31 119.46 2cfh h LEU 130 Ca 0.34 -0.57 0.09 0.00 0.09 0.00 0.00 57.88 57.83 2cfh h LEU 130 Cb -0.05 -0.23 -0.07 0.00 0.09 0.00 0.00 40.66 40.39 2cfh h LEU 130 CO -0.10 1.37 0.16 -1.28 0.09 0.00 0.00 178.44 178.67 2cfh h SER 131 N 0.37 0.10 0.89 -0.43 0.87 -0.51 0.11 113.55 114.94 2cfh h SER 131 Ca -0.09 0.09 0.00 0.00 -1.23 0.00 0.00 61.79 60.56 2cfh h SER 131 Cb 1.55 0.10 0.00 0.00 -0.44 0.00 0.00 62.40 63.61 2cfh h SER 131 CO 0.17 0.07 0.00 0.59 -0.53 0.00 0.00 176.83 177.13 2cfh n ASN 132 N -5.07 0.67 -1.29 6.23 4.13 -0.66 -2.26 115.26 117.00 2cfh n ASN 132 Ca 0.07 0.64 0.12 0.00 1.68 0.00 0.00 54.58 57.09 2cfh n ASN 132 Cb 0.27 -0.79 0.30 0.00 -1.54 0.00 0.00 39.78 38.01 2cfh n ASN 132 CO 0.00 0.00 0.00 0.18 0.28 0.00 0.00 177.26 177.72 2cfh n LEU 133 N -2.21 3.77 0.00 3.41 4.77 -0.05 -4.95 117.00 121.74 2cfh n LEU 133 Ca 0.03 -1.82 0.00 0.00 -0.03 0.00 0.00 56.01 54.19 2cfh n LEU 133 Cb 0.27 -0.42 0.00 0.00 -2.33 0.00 0.00 43.42 40.94 2cfh n LEU 133 CO 0.22 0.91 0.00 0.61 -1.33 0.00 0.00 177.39 177.80 2cfh n GLY 134 N 1.62 0.78 3.25 -0.72 0.00 -0.42 -5.04 105.19 104.66 2cfh n GLY 134 Ca 0.23 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.91 2cfh n GLY 134 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2cfh s ILE 135 N -2.00 2.87 0.02 -0.61 -1.09 0.19 -4.97 121.20 115.61 2cfh s ILE 135 Ca 0.00 -0.67 -0.24 0.00 -2.23 0.00 0.00 60.65 57.51 2cfh s ILE 135 Cb 0.00 -2.27 -0.05 0.00 -1.58 0.00 0.00 42.46 38.56 2cfh s ILE 135 CO 0.00 0.47 0.73 -0.54 -1.23 0.00 0.00 174.94 174.38 2cfh s LYS 136 N 1.31 4.46 0.07 2.79 1.02 -1.26 -2.52 119.74 125.61 2cfh s LYS 136 Ca 0.04 0.99 -0.09 0.00 0.02 0.00 0.00 55.97 56.94 2cfh s LYS 136 Cb -0.14 -3.37 -0.00 0.00 -0.52 0.00 0.00 37.83 33.80 2cfh s LYS 136 CO -0.06 0.26 0.18 -1.54 -0.92 0.00 0.00 175.35 173.28 2cfh s SER 137 N 0.06 0.11 -0.18 2.83 1.04 -1.26 -0.15 113.70 116.15 2cfh s SER 137 Ca 0.37 -0.58 -0.05 0.00 0.48 0.00 0.00 55.95 56.17 2cfh s SER 137 Cb -0.20 0.32 -0.03 0.00 0.10 0.00 0.00 66.02 66.21 2cfh s SER 137 CO 0.21 -0.68 0.00 -0.63 0.98 0.00 0.00 173.24 173.13 2cfh s ILE 138 N -3.49 4.17 -0.17 -1.02 1.01 0.02 -4.92 121.20 116.80 2cfh s ILE 138 Ca 0.02 -0.25 0.01 0.00 0.00 0.00 0.00 60.65 60.43 2cfh s ILE 138 Cb 0.03 -2.86 0.01 0.00 0.01 0.00 0.00 42.46 39.65 2cfh s ILE 138 CO -0.09 0.46 -0.17 -0.69 0.00 0.00 0.00 174.94 174.45 2cfh s VAL 139 N 0.54 2.37 0.41 2.92 1.01 -1.26 -0.91 120.40 125.48 2cfh s VAL 139 Ca -0.01 -0.85 0.05 0.00 0.00 0.00 0.00 61.98 61.17 2cfh s VAL 139 Cb -0.14 -2.00 -0.06 0.00 0.00 0.00 0.00 36.38 34.19 2cfh s VAL 139 CO 0.02 0.52 0.03 0.42 0.00 0.00 0.00 175.10 176.09 2cfh s THR 140 N 1.08 1.48 -0.06 3.92 -4.23 -0.12 -4.84 115.64 112.88 2cfh s THR 140 Ca -0.00 -2.00 -0.23 0.00 -1.18 0.00 0.00 61.69 58.27 2cfh s THR 140 Cb -0.14 -2.69 0.05 0.00 1.34 0.00 0.00 72.50 71.05 2cfh s THR 140 CO -0.06 0.00 0.53 0.00 -0.54 0.00 0.00 174.62 174.55 2cfh s ALA 141 N -2.94 -1.35 0.05 3.99 0.00 -1.26 0.65 121.76 120.90 2cfh s ALA 141 Ca 0.27 1.00 -0.07 0.00 0.00 0.00 0.00 51.96 53.16 2cfh s ALA 141 Cb 0.07 -0.11 -0.01 0.00 0.00 0.00 0.00 23.12 23.07 2cfh s ALA 141 CO 0.14 -0.31 0.14 -1.83 0.00 0.00 0.00 175.76 173.89 2cfh s GLU 142 N -1.01 0.68 -0.34 0.00 -1.05 -0.13 -5.00 118.70 111.85 2cfh s GLU 142 Ca -0.10 -0.81 -0.29 0.00 -0.15 0.00 0.00 54.97 53.62 2cfh s GLU 142 Cb -0.02 0.27 0.02 0.00 -0.44 0.00 0.00 34.13 33.95 2cfh s GLU 142 CO 0.07 -0.19 1.13 0.54 0.95 0.00 0.00 175.26 177.76 2cfh s VAL 143 N -3.02 4.38 -0.03 1.83 0.11 -1.26 -0.31 120.40 122.09 2cfh s VAL 143 Ca -0.01 1.57 -0.12 0.00 -2.93 0.00 0.00 61.98 60.48 2cfh s VAL 143 Cb 0.01 -4.39 -0.32 0.00 -1.53 0.00 0.00 36.38 30.16 2cfh s VAL 143 CO -0.06 -0.56 0.73 0.77 -3.33 0.00 0.00 175.10 172.65 2cfh h SER 144 N 8.52 0.66 -0.98 3.54 4.64 -1.52 -3.44 113.55 124.96 2cfh h SER 144 Ca -0.22 -0.92 -0.03 0.00 -0.47 0.00 0.00 61.79 60.14 2cfh h SER 144 Cb 1.07 -0.21 -0.19 0.00 -0.31 0.00 0.00 62.40 62.75 2cfh h SER 144 CO 1.05 1.77 -0.42 -0.55 -0.87 0.00 0.00 176.83 177.80 2cfh s SER 145 N -7.35 -1.53 -0.07 4.97 0.15 -0.98 -4.91 113.70 103.99 2cfh s SER 145 Ca -0.15 -0.54 -0.34 0.00 0.70 0.00 0.00 55.95 55.63 2cfh s SER 145 Cb 0.05 1.95 -0.16 0.00 -1.71 0.00 0.00 66.02 66.14 2cfh s SER 145 CO 0.87 -0.20 0.96 0.80 1.20 0.00 0.00 173.24 176.87 2cfh n MET 146 N 4.64 0.00 -0.35 5.44 1.56 -1.26 -1.34 117.12 125.80 2cfh n MET 146 Ca 0.10 0.00 0.06 0.00 -0.27 0.00 0.00 57.70 57.58 2cfh n MET 146 Cb 0.56 -1.23 0.21 0.00 2.15 0.00 0.00 33.22 34.91 2cfh n MET 146 CO 0.00 0.00 0.00 -0.35 -0.73 0.00 0.00 175.97 174.89 2cfh n PRO 147 N 1.60 2.55 -3.51 2.12 -0.04 -1.26 -5.09 135.00 131.36 2cfh n PRO 147 Ca 0.18 -1.67 -0.21 0.00 -0.04 0.00 0.00 63.50 61.76 2cfh n PRO 147 Cb 0.04 -1.60 -0.01 0.00 -0.04 0.00 0.00 33.50 31.90 2cfh n PRO 147 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2cfh s ALA 148 N -1.68 4.27 0.00 0.55 0.00 -0.45 -1.69 121.76 122.75 2cfh s ALA 148 Ca 0.30 -1.77 0.00 0.00 0.00 0.00 0.00 51.96 50.49 2cfh s ALA 148 Cb 0.19 -1.06 0.00 0.00 0.00 0.00 0.00 23.12 22.24 2cfh s ALA 148 CO 0.15 -0.37 0.00 0.00 0.00 0.00 0.00 175.76 175.54 2cfh s LYS 150 N 0.00 2.79 -0.21 0.00 1.02 0.57 -0.73 119.74 123.18 2cfh s LYS 150 Ca 0.00 -0.86 -0.06 0.00 0.02 0.00 0.00 55.97 55.07 2cfh s LYS 150 Cb 0.00 -2.27 -0.03 0.00 -0.52 0.00 0.00 37.83 35.01 2cfh s LYS 150 CO 0.00 0.32 0.04 -0.06 -0.92 0.00 0.00 175.35 174.73 2cfh s PHE 151 N 0.00 3.12 -0.25 3.18 0.40 -0.09 -0.95 117.98 123.38 2cfh s PHE 151 Ca -0.08 -0.26 -0.10 0.00 -0.60 0.00 0.00 56.93 55.89 2cfh s PHE 151 Cb -0.15 -2.13 -0.05 0.00 0.51 0.00 0.00 43.02 41.20 2cfh s PHE 151 CO 0.05 -0.15 0.16 -1.14 0.70 0.00 0.00 175.22 174.85 2cfh s GLN 152 N 0.98 4.01 -0.36 0.44 0.74 0.21 -1.01 119.66 124.67 2cfh s GLN 152 Ca 0.03 -0.30 -0.08 0.00 0.05 0.00 0.00 55.36 55.06 2cfh s GLN 152 Cb -0.14 -3.55 0.04 0.00 1.10 0.00 0.00 33.01 30.46 2cfh s GLN 152 CO 0.02 -0.01 0.16 0.08 -0.55 0.00 0.00 175.29 174.99 2cfh s VAL 153 N 1.26 4.14 -0.26 1.34 1.01 0.28 -0.94 120.40 127.22 2cfh s VAL 153 Ca 0.07 -1.04 -0.13 0.00 0.00 0.00 0.00 61.98 60.88 2cfh s VAL 153 Cb -0.14 -3.34 -0.04 0.00 0.00 0.00 0.00 36.38 32.85 2cfh s VAL 153 CO 0.06 -0.23 0.28 -0.32 0.00 0.00 0.00 175.10 174.90 2cfh s MET 154 N 1.47 4.01 -0.03 2.72 1.75 -0.08 -0.60 119.30 128.54 2cfh s MET 154 Ca 0.00 -0.12 -0.20 0.00 -1.25 0.00 0.00 55.69 54.13 2cfh s MET 154 Cb -0.20 -3.63 -0.05 0.00 2.84 0.00 0.00 34.83 33.79 2cfh s MET 154 CO 0.04 -0.18 0.56 0.42 -0.65 0.00 0.00 175.02 175.22 2cfh s ILE 155 N 1.77 4.98 0.19 10.11 1.01 0.18 -0.80 121.20 138.65 2cfh s ILE 155 Ca 0.11 1.17 -0.26 0.00 0.00 0.00 0.00 60.65 61.68 2cfh s ILE 155 Cb -0.16 -3.90 -0.08 0.00 0.01 0.00 0.00 42.46 38.33 2cfh s ILE 155 CO 0.10 0.40 0.81 -1.10 0.00 0.00 0.00 174.94 175.14 2cfh s GLN 156 N -0.02 4.59 0.00 2.79 -1.52 0.78 -4.86 119.66 121.41 2cfh s GLN 156 Ca 0.30 1.19 0.20 0.00 -1.95 0.00 0.00 55.36 55.10 2cfh s GLN 156 Cb -0.17 -3.21 0.90 0.00 -0.22 0.00 0.00 33.01 30.31 2cfh s GLN 156 CO 0.16 0.53 1.65 1.63 -0.25 0.00 0.00 175.29 179.01 2cfh n LYS 157 N 1.44 0.07 0.00 2.91 5.02 -1.26 -4.70 118.16 121.64 2cfh n LYS 157 Ca -0.04 0.14 0.00 0.00 -2.02 0.00 0.00 58.31 56.39 2cfh n LYS 157 Cb 0.49 -1.50 0.00 0.00 -0.02 0.00 0.00 35.03 34.00 2cfh n LYS 157 CO 0.00 0.00 0.00 1.47 -0.52 0.00 0.00 177.40 178.35