#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 0.23 0.08 0.00 2.03 -1.26 -4.83 116.55 112.80 2cfh n ASP 3 Ca 0.00 0.99 0.09 0.00 0.52 0.00 0.00 54.79 56.40 2cfh n ASP 3 Cb 0.00 -1.23 0.41 0.00 -0.72 0.00 0.00 41.12 39.58 2cfh n ASP 3 CO 0.00 0.00 0.00 -1.84 -1.92 0.00 0.00 177.20 173.44 2cfh n GLU 4 N 0.39 0.11 -0.32 -0.67 0.28 -1.26 -1.57 120.64 117.59 2cfh n GLU 4 Ca 0.11 0.38 0.05 0.00 -0.16 0.00 0.00 57.16 57.54 2cfh n GLU 4 Cb 0.38 -1.72 0.24 0.00 1.43 0.00 0.00 31.44 31.77 2cfh n GLU 4 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 2cfh h ALA 5 N 2.31 1.53 -0.14 -1.84 0.00 -1.99 -0.88 119.26 118.26 2cfh h ALA 5 Ca 0.00 -0.01 -0.06 0.00 0.00 0.00 0.00 54.91 54.83 2cfh h ALA 5 Cb 0.28 -0.25 -0.00 0.00 0.00 0.00 0.00 17.79 17.81 2cfh h ALA 5 CO 0.00 0.30 -0.17 -0.07 0.00 0.00 0.00 179.25 179.31 2cfh h LEU 6 N 1.01 0.39 -0.79 0.00 3.38 -1.63 -0.87 115.31 116.80 2cfh h LEU 6 Ca 0.42 -0.50 0.03 0.00 0.09 0.00 0.00 57.88 57.92 2cfh h LEU 6 Cb 0.30 -0.11 -0.05 0.00 0.09 0.00 0.00 40.66 40.90 2cfh h LEU 6 CO -0.18 0.81 0.50 0.15 0.09 0.00 0.00 178.44 179.81 2cfh h PHE 7 N -0.03 0.94 -0.46 1.13 3.57 -1.62 0.57 116.94 121.04 2cfh h PHE 7 Ca 0.02 0.02 -0.07 0.00 3.53 0.00 0.00 57.97 61.48 2cfh h PHE 7 Cb 0.71 -0.31 -0.02 0.00 2.79 0.00 0.00 35.95 39.12 2cfh h PHE 7 CO 0.09 0.55 0.03 -0.07 -2.23 0.00 0.00 178.31 176.67 2cfh h LEU 8 N 0.99 0.76 -0.80 0.59 3.38 -0.95 -1.07 115.31 118.22 2cfh h LEU 8 Ca 0.31 -0.29 -0.08 0.00 0.09 0.00 0.00 57.88 57.91 2cfh h LEU 8 Cb -0.00 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 40.52 2cfh h LEU 8 CO -0.11 0.87 -0.00 -0.07 0.09 0.00 0.00 178.44 179.22 2cfh h LEU 9 N 0.64 0.88 -0.14 1.67 3.38 -0.97 -1.40 115.31 119.36 2cfh h LEU 9 Ca 0.13 -0.23 -0.01 0.00 0.09 0.00 0.00 57.88 57.87 2cfh h LEU 9 Cb 0.46 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 40.97 2cfh h LEU 9 CO 0.02 0.94 0.06 0.25 0.09 0.00 0.00 178.44 179.80 2cfh h LEU 10 N 0.84 0.18 0.10 1.67 6.46 -0.65 0.12 115.31 124.02 2cfh h LEU 10 Ca 0.16 -0.13 0.01 0.00 -0.12 0.00 0.00 57.88 57.80 2cfh h LEU 10 Cb 0.50 -0.05 -0.02 0.00 -0.73 0.00 0.00 40.66 40.36 2cfh h LEU 10 CO 0.02 0.26 -0.17 -0.74 -0.62 0.00 0.00 178.44 177.19 2cfh h HIS 11 N 0.09 -0.45 -0.81 1.25 2.76 -1.12 0.18 115.15 117.06 2cfh h HIS 11 Ca 0.05 0.01 0.09 0.00 -2.20 0.00 0.00 60.37 58.32 2cfh h HIS 11 Cb 0.13 0.19 -0.07 0.00 1.55 0.00 0.00 27.41 29.20 2cfh h HIS 11 CO -0.03 -0.26 0.46 -0.97 -1.30 0.00 0.00 177.93 175.83 2cfh h ASN 12 N -0.33 0.65 -0.31 3.26 -1.24 -1.11 -1.27 115.58 115.23 2cfh h ASN 12 Ca 0.02 0.05 -0.11 0.00 0.71 0.00 0.00 56.30 56.98 2cfh h ASN 12 Cb 0.35 -0.08 -0.02 0.00 0.73 0.00 0.00 38.32 39.31 2cfh h ASN 12 CO -0.10 0.37 -0.18 -0.08 -1.29 0.00 0.00 177.43 176.16 2cfh h GLU 13 N 0.77 0.77 -0.36 6.67 4.57 -0.20 0.86 114.58 127.66 2cfh h GLU 13 Ca 0.39 -0.29 -0.07 0.00 -1.18 0.00 0.00 59.36 58.21 2cfh h GLU 13 Cb 0.36 -0.05 -0.01 0.00 -0.16 0.00 0.00 28.75 28.89 2cfh h GLU 13 CO -0.25 0.89 -0.05 0.52 -1.18 0.00 0.00 179.01 178.94 2cfh h MET 14 N 0.68 0.67 -0.32 1.92 2.86 -0.23 0.72 114.93 121.23 2cfh h MET 14 Ca 0.10 -0.24 -0.09 0.00 -2.06 0.00 0.00 59.70 57.41 2cfh h MET 14 Cb 0.67 -0.05 -0.01 0.00 0.06 0.00 0.00 31.60 32.28 2cfh h MET 14 CO 0.05 0.81 -0.17 0.28 1.06 0.00 0.00 176.91 178.94 2cfh h VAL 15 N 0.47 1.29 0.00 -2.22 2.07 -1.05 -0.40 116.25 116.41 2cfh h VAL 15 Ca 0.09 -1.28 0.00 0.00 0.82 0.00 0.00 66.70 66.34 2cfh h VAL 15 Cb 0.55 1.44 0.00 0.00 -1.52 0.00 0.00 31.29 31.75 2cfh h VAL 15 CO 0.03 0.41 -0.83 -1.54 0.02 0.00 0.00 177.57 175.66 2cfh n SER 16 N -4.35 0.64 0.00 0.57 3.41 0.28 -2.09 113.62 112.08 2cfh n SER 16 Ca -0.03 -0.10 0.00 0.00 -0.26 0.00 0.00 58.87 58.48 2cfh n SER 16 Cb 0.39 0.52 0.00 0.00 -0.26 0.00 0.00 64.21 64.86 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 1.37 0.85 0.34 5.00 0.00 0.24 -4.54 105.19 108.45 2cfh n GLY 17 Ca 0.03 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.16 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 0.05 -0.20 1.61 2.07 -1.65 -2.08 116.25 116.06 2cfh h VAL 18 Ca 0.00 -0.01 -0.12 0.00 0.82 0.00 0.00 66.70 67.39 2cfh h VAL 18 Cb 0.00 0.03 -0.08 0.00 -1.52 0.00 0.00 31.29 29.72 2cfh h VAL 18 CO 0.00 0.00 -0.41 -1.22 0.02 0.00 0.00 177.57 175.96 2cfh n TYR 19 N -5.50 0.66 -2.82 1.57 4.01 -0.16 -4.94 117.16 109.98 2cfh n TYR 19 Ca 0.20 -1.64 -0.41 0.00 -0.16 0.00 0.00 57.90 55.89 2cfh n TYR 19 Cb 0.67 -0.34 -0.04 0.00 -0.31 0.00 0.00 39.34 39.32 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 -3.30 4.55 0.10 -0.72 2.20 -0.79 -4.71 119.74 117.07 2cfh s LYS 20 Ca 0.42 1.26 -0.30 0.00 -0.36 0.00 0.00 55.97 56.99 2cfh s LYS 20 Cb 0.39 -3.43 -0.06 0.00 -1.51 0.00 0.00 37.83 33.22 2cfh s LYS 20 CO -0.04 0.07 1.14 0.45 -0.36 0.00 0.00 175.35 176.61 2cfh s SER 21 N 0.64 7.17 0.00 1.43 0.15 -1.26 -4.91 113.70 116.92 2cfh s SER 21 Ca 0.46 2.01 0.07 0.00 0.70 0.00 0.00 55.95 59.19 2cfh s SER 21 Cb -0.21 -2.59 0.40 0.00 -1.71 0.00 0.00 66.02 61.92 2cfh s SER 21 CO 0.26 -0.36 0.82 0.00 1.20 0.00 0.00 173.24 175.16 2cfh n ALA 22 N 3.34 1.95 -2.91 5.45 0.00 -1.26 -4.84 120.51 122.25 2cfh n ALA 22 Ca 0.06 -0.04 -0.19 0.00 0.00 0.00 0.00 53.44 53.27 2cfh n ALA 22 Cb 0.47 -1.11 0.03 0.00 0.00 0.00 0.00 19.45 18.84 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 -0.76 -4.17 0.08 0.00 -0.58 -1.26 -4.89 120.64 109.06 2cfh n GLU 23 Ca 0.05 0.75 -0.01 0.00 -0.42 0.00 0.00 57.16 57.54 2cfh n GLU 23 Cb 0.02 -5.29 0.28 0.00 -0.57 0.00 0.00 31.44 25.88 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 -1.20 0.31 0.00 3.49 4.15 -1.98 -3.48 115.11 116.40 2cfh h GLN 24 Ca -0.44 -0.11 0.00 0.00 0.77 0.00 0.00 58.65 58.87 2cfh h GLN 24 Cb 1.30 -0.02 0.00 0.00 0.21 0.00 0.00 27.48 28.97 2cfh h GLN 24 CO 0.47 0.55 0.00 0.41 -1.93 0.00 0.00 178.83 178.34 2cfh n GLY 25 N -0.49 -1.76 0.34 2.39 0.00 -1.26 -5.01 105.19 99.41 2cfh n GLY 25 Ca -0.01 -1.13 -0.01 0.00 0.00 0.00 0.00 46.02 44.88 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 1.11 -0.66 1.61 5.08 -1.99 -1.82 114.58 117.91 2cfh h GLU 26 Ca 0.00 -0.07 0.01 0.00 -1.00 0.00 0.00 59.36 58.30 2cfh h GLU 26 Cb 0.00 -0.25 -0.03 0.00 0.50 0.00 0.00 28.75 28.97 2cfh h GLU 26 CO 0.00 0.73 0.44 0.28 -1.00 0.00 0.00 179.01 179.46 2cfh h VAL 27 N 1.14 1.17 -0.07 3.13 2.07 -1.98 0.43 116.25 122.14 2cfh h VAL 27 Ca 0.36 -0.31 -0.01 0.00 0.82 0.00 0.00 66.70 67.56 2cfh h VAL 27 Cb -0.00 0.19 -0.00 0.00 -1.52 0.00 0.00 31.29 29.96 2cfh h VAL 27 CO -0.12 0.16 -0.01 -0.08 0.02 0.00 0.00 177.57 177.55 2cfh h GLU 28 N 0.90 0.13 -0.44 1.57 4.81 -1.90 -0.25 114.58 119.39 2cfh h GLU 28 Ca 0.24 -0.04 0.06 0.00 -0.13 0.00 0.00 59.36 59.49 2cfh h GLU 28 Cb -0.10 -0.01 -0.06 0.00 0.63 0.00 0.00 28.75 29.21 2cfh h GLU 28 CO -0.05 0.42 0.12 -0.91 -0.73 0.00 0.00 179.01 177.86 2cfh h ASN 29 N -0.18 0.08 -0.23 1.04 -0.26 -1.05 -2.32 115.58 112.66 2cfh h ASN 29 Ca 0.02 0.06 0.02 0.00 -0.56 0.00 0.00 56.30 55.84 2cfh h ASN 29 Cb 0.37 0.07 -0.02 0.00 -1.06 0.00 0.00 38.32 37.68 2cfh h ASN 29 CO 0.00 0.08 0.10 1.23 -1.06 0.00 0.00 177.43 177.78 2cfh h GLY 30 N 0.27 0.30 -1.47 2.83 0.00 -0.00 -0.99 103.07 104.00 2cfh h GLY 30 Ca 0.21 -0.07 0.00 0.00 0.00 0.00 0.00 47.33 47.47 2cfh h GLY 30 CO -0.25 0.05 0.00 0.54 0.00 0.00 0.00 176.54 176.88 2cfh n ARG 31 N -5.01 0.17 0.00 4.80 1.74 -0.12 -1.10 116.66 117.14 2cfh n ARG 31 Ca -0.02 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.06 2cfh n ARG 31 Cb 0.07 -1.24 0.00 0.00 -1.02 0.00 0.00 32.46 30.27 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 0.65 0.00 0.00 0.55 2.08 -0.38 -1.87 119.36 120.40 2cfh n ILE 33 Ca 0.00 0.00 -0.05 0.00 0.56 0.00 0.00 62.75 63.26 2cfh n ILE 33 Cb 0.06 0.00 0.15 0.00 -0.75 0.00 0.00 39.64 39.10 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 1.29 -0.62 1.39 2.02 -1.36 -1.51 112.91 114.12 2cfh h THR 34 Ca 0.00 -1.45 -0.03 0.00 0.77 0.00 0.00 66.41 65.70 2cfh h THR 34 Cb 0.00 1.47 -0.03 0.00 -1.74 0.00 0.00 68.15 67.85 2cfh h THR 34 CO 0.00 0.46 0.28 0.11 0.37 0.00 0.00 175.52 176.74 2cfh h LYS 35 N 0.44 0.91 -0.14 6.66 1.57 -1.64 0.13 116.57 124.51 2cfh h LYS 35 Ca 0.05 -0.14 -0.02 0.00 -1.87 0.00 0.00 60.65 58.67 2cfh h LYS 35 Cb 0.80 -0.16 -0.01 0.00 0.08 0.00 0.00 32.23 32.95 2cfh h LYS 35 CO 0.07 0.74 0.01 -0.07 -0.57 0.00 0.00 179.45 179.63 2cfh h LEU 36 N 0.86 0.23 -0.41 2.94 3.38 -1.83 -1.63 115.31 118.85 2cfh h LEU 36 Ca 0.21 -0.29 -0.05 0.00 0.09 0.00 0.00 57.88 57.85 2cfh h LEU 36 Cb 0.15 -0.06 -0.02 0.00 0.09 0.00 0.00 40.66 40.82 2cfh h LEU 36 CO -0.02 0.46 0.08 -0.08 0.09 0.00 0.00 178.44 178.97 2cfh h GLU 37 N -0.01 0.67 -0.60 1.13 4.22 -1.18 -0.89 114.58 117.92 2cfh h GLU 37 Ca 0.04 -0.17 0.02 0.00 0.08 0.00 0.00 59.36 59.33 2cfh h GLU 37 Cb 0.34 -0.08 -0.04 0.00 0.50 0.00 0.00 28.75 29.47 2cfh h GLU 37 CO 0.01 0.70 0.38 -0.91 -2.18 0.00 0.00 179.01 177.00 2cfh h ASN 38 N 0.52 0.62 -0.84 1.04 -0.26 -0.73 0.75 115.58 116.68 2cfh h ASN 38 Ca 0.13 -0.00 0.06 0.00 -0.56 0.00 0.00 56.30 55.93 2cfh h ASN 38 Cb 0.35 -0.14 -0.06 0.00 -1.06 0.00 0.00 38.32 37.41 2cfh h ASN 38 CO 0.01 0.44 0.52 0.24 -1.06 0.00 0.00 177.43 177.57 2cfh h MET 39 N 0.75 0.91 -0.59 0.81 2.86 -1.16 -1.81 114.93 116.70 2cfh h MET 39 Ca 0.24 -0.05 -0.04 0.00 -2.06 0.00 0.00 59.70 57.78 2cfh h MET 39 Cb -0.01 -0.21 -0.03 0.00 0.06 0.00 0.00 31.60 31.42 2cfh h MET 39 CO -0.09 0.60 0.19 0.78 1.06 0.00 0.00 176.91 179.45 2cfh h GLY 40 N 0.94 0.95 1.00 8.32 0.00 0.12 -1.76 103.07 112.64 2cfh h GLY 40 Ca 0.37 -0.52 0.01 0.00 0.00 0.00 0.00 47.33 47.19 2cfh h GLY 40 CO -0.18 0.49 0.36 -2.75 0.00 0.00 0.00 176.54 174.46 2cfh h PHE 41 N 0.86 0.69 -0.32 5.60 3.57 -0.11 -0.05 116.94 127.18 2cfh h PHE 41 Ca 0.20 0.02 -0.05 0.00 3.53 0.00 0.00 57.97 61.66 2cfh h PHE 41 Cb 0.24 -0.23 -0.01 0.00 2.79 0.00 0.00 35.95 38.74 2cfh h PHE 41 CO 0.02 0.43 0.01 0.00 -2.23 0.00 0.00 178.31 176.54 2cfh h ARG 42 N 0.74 0.55 -0.68 1.11 -0.00 -0.98 -1.93 114.38 113.20 2cfh h ARG 42 Ca 0.20 -0.17 -0.00 0.00 -0.50 0.00 0.00 59.98 59.50 2cfh h ARG 42 Cb -0.08 -0.05 -0.03 0.00 0.00 0.00 0.00 29.97 29.80 2cfh h ARG 42 CO -0.04 0.68 0.40 0.28 0.00 0.00 0.00 179.97 181.29 2cfh h VAL 43 N 0.36 1.19 0.27 2.04 2.07 -1.04 -2.44 116.25 118.71 2cfh h VAL 43 Ca 0.09 -0.43 -0.01 0.00 0.82 0.00 0.00 66.70 67.16 2cfh h VAL 43 Cb 0.42 0.24 0.00 0.00 -1.52 0.00 0.00 31.29 30.44 2cfh h VAL 43 CO 0.01 0.20 -0.13 1.23 0.02 0.00 0.00 177.57 178.91 2cfh h GLY 44 N 0.97 -0.38 -0.38 2.17 0.00 -0.74 0.70 103.07 105.42 2cfh h GLY 44 Ca 0.24 0.14 0.17 0.00 0.00 0.00 0.00 47.33 47.88 2cfh h GLY 44 CO -0.05 -0.14 -0.01 1.46 0.00 0.00 0.00 176.54 177.80 2cfh h GLN 45 N -0.47 0.09 -0.04 4.80 4.20 -1.24 -2.32 115.11 120.13 2cfh h GLN 45 Ca -0.04 -0.01 -0.17 0.00 0.06 0.00 0.00 58.65 58.50 2cfh h GLN 45 Cb 0.35 -0.02 -0.01 0.00 0.30 0.00 0.00 27.48 28.10 2cfh h GLN 45 CO 0.06 0.06 -0.73 0.78 -0.67 0.00 0.00 178.83 178.33 2cfh h GLY 46 N 0.09 0.25 1.14 3.46 0.00 -1.03 -1.62 103.07 105.36 2cfh h GLY 46 Ca 0.41 -0.36 -0.05 0.00 0.00 0.00 0.00 47.33 47.33 2cfh h GLY 46 CO -0.68 0.32 0.23 1.41 0.00 0.00 0.00 176.54 177.82 2cfh h LEU 47 N 0.15 1.00 0.12 3.11 3.38 -0.57 -1.93 115.31 120.57 2cfh h LEU 47 Ca -0.02 -0.18 -0.01 0.00 0.09 0.00 0.00 57.88 57.77 2cfh h LEU 47 Cb 1.29 -0.26 0.00 0.00 0.09 0.00 0.00 40.66 41.78 2cfh h LEU 47 CO 0.11 0.92 -0.06 0.40 0.09 0.00 0.00 178.44 179.91 2cfh h ILE 48 N 1.04 0.99 -0.84 1.22 1.08 -1.26 -0.56 117.51 119.17 2cfh h ILE 48 Ca 0.23 -0.44 0.17 0.00 -0.39 0.00 0.00 64.86 64.43 2cfh h ILE 48 Cb 0.27 1.27 -0.11 0.00 -3.07 0.00 0.00 36.82 35.19 2cfh h ILE 48 CO -0.01 0.11 0.38 -0.33 -0.69 0.00 0.00 178.15 177.61 2cfh h GLU 49 N -0.36 0.48 0.02 2.37 5.08 -1.28 0.11 114.58 120.99 2cfh h GLU 49 Ca -0.02 -0.03 -0.06 0.00 -1.00 0.00 0.00 59.36 58.25 2cfh h GLU 49 Cb 0.30 -0.11 0.01 0.00 0.50 0.00 0.00 28.75 29.45 2cfh h GLU 49 CO 0.03 0.32 -0.26 -0.09 -1.00 0.00 0.00 179.01 178.01 2cfh h ARG 50 N 0.49 0.13 -0.27 2.33 9.65 -1.18 -3.37 114.38 122.16 2cfh h ARG 50 Ca 0.49 -0.17 0.00 0.00 -1.10 0.00 0.00 59.98 59.19 2cfh h ARG 50 Cb 0.80 0.06 0.00 0.00 -1.39 0.00 0.00 29.97 29.44 2cfh h ARG 50 CO -0.44 0.99 0.00 1.19 2.80 0.00 0.00 179.97 184.51 2cfh n PHE 51 N -4.48 0.70 -2.78 2.20 3.72 -0.23 -4.77 117.46 111.80 2cfh n PHE 51 Ca -0.11 -0.73 -0.09 0.00 -0.05 0.00 0.00 57.45 56.47 2cfh n PHE 51 Cb 0.55 -0.19 0.05 0.00 -0.94 0.00 0.00 39.48 38.95 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 -0.17 -0.04 -0.02 4.37 -1.04 0.38 -4.89 114.28 112.86 2cfh n THR 52 Ca 0.17 -1.72 0.03 0.00 -2.04 0.00 0.00 64.05 60.48 2cfh n THR 52 Cb 0.69 1.27 0.21 0.00 -1.82 0.00 0.00 70.33 70.67 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 1.20 2.99 -2.71 -2.82 4.81 -1.26 -4.03 118.16 116.35 2cfh n LYS 53 Ca 0.09 -1.68 -0.38 0.00 -0.87 0.00 0.00 58.31 55.47 2cfh n LYS 53 Cb 0.65 -1.89 0.01 0.00 0.02 0.00 0.00 35.03 33.81 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 0.29 6.76 0.17 3.14 9.92 -1.26 -4.72 116.55 130.85 2cfh n ASP 54 Ca 0.16 -3.69 0.04 0.00 -0.53 0.00 0.00 54.79 50.78 2cfh n ASP 54 Cb 0.78 -1.05 0.26 0.00 -0.64 0.00 0.00 41.12 40.48 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 0.94 -0.06 -3.53 2.02 -1.98 -3.10 112.91 109.58 2cfh h THR 55 Ca 0.45 -1.73 -0.06 0.00 0.77 0.00 0.00 66.41 65.84 2cfh h THR 55 Cb 0.36 2.05 -0.01 0.00 -1.74 0.00 0.00 68.15 68.81 2cfh h THR 55 CO 1.11 0.42 -0.25 0.00 0.37 0.00 0.00 175.52 177.17 2cfh h ALA 56 N 1.57 1.48 -0.52 6.16 0.00 -1.95 -3.34 119.26 122.66 2cfh h ALA 56 Ca -0.00 -0.26 0.00 0.00 0.00 0.00 0.00 54.91 54.65 2cfh h ALA 56 Cb 1.02 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.74 2cfh h ALA 56 CO 0.06 0.38 0.00 2.89 0.00 0.00 0.00 179.25 182.57 2cfh n ARG 57 N -4.21 2.74 -0.08 0.00 0.00 -1.17 -3.81 116.66 110.14 2cfh n ARG 57 Ca -0.02 -2.10 -0.11 0.00 -0.00 0.00 0.00 57.85 55.62 2cfh n ARG 57 Cb 0.33 -1.61 -0.07 0.00 -0.00 0.00 0.00 32.46 31.11 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 3.18 0.00 -6.52 2.89 0.04 -1.76 -3.49 116.94 111.28 2cfh h PHE 58 Ca 0.00 0.00 -0.50 0.00 2.80 0.00 0.00 57.97 60.27 2cfh h PHE 58 Cb 0.98 0.00 -0.00 0.00 2.20 0.00 0.00 35.95 39.13 2cfh h PHE 58 CO 0.50 0.66 -0.94 1.17 -0.60 0.00 0.00 178.31 179.10 2cfh n LYS 59 N -4.59 -1.79 0.00 1.51 4.81 -1.25 -4.75 118.16 112.10 2cfh n LYS 59 Ca -0.14 0.34 0.00 0.00 -0.87 0.00 0.00 58.31 57.64 2cfh n LYS 59 Cb 0.39 -3.95 0.00 0.00 0.02 0.00 0.00 35.03 31.49 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 -2.71 0.00 -0.07 3.14 5.68 -1.26 -4.92 116.55 116.41 2cfh n ASP 60 Ca -0.19 0.00 -0.07 0.00 -0.50 0.00 0.00 54.79 54.03 2cfh n ASP 60 Cb 0.63 0.00 -0.01 0.00 -1.14 0.00 0.00 41.12 40.60 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 -0.08 -0.56 0.11 4.81 -1.99 -1.44 114.58 115.44 2cfh h GLU 61 Ca 0.00 0.01 -0.03 0.00 -0.13 0.00 0.00 59.36 59.21 2cfh h GLU 61 Cb 0.00 0.02 -0.03 0.00 0.63 0.00 0.00 28.75 29.37 2cfh h GLU 61 CO 0.00 -0.05 0.24 -0.07 -0.73 0.00 0.00 179.01 178.40 2cfh h LEU 62 N -0.08 0.72 -0.77 1.64 -0.00 -1.96 0.11 115.31 114.96 2cfh h LEU 62 Ca 0.14 -0.08 -0.09 0.00 -0.00 0.00 0.00 57.88 57.86 2cfh h LEU 62 Cb 0.30 -0.18 -0.02 0.00 -0.00 0.00 0.00 40.66 40.76 2cfh h LEU 62 CO -0.33 0.63 -0.02 0.44 -0.00 0.00 0.00 178.44 179.16 2cfh h ASP 63 N 0.79 0.89 -0.19 -0.43 3.32 -1.60 -1.27 116.42 117.93 2cfh h ASP 63 Ca 0.19 -0.24 -0.04 0.00 0.02 0.00 0.00 57.03 56.97 2cfh h ASP 63 Cb 0.12 -0.24 -0.01 0.00 0.22 0.00 0.00 39.33 39.43 2cfh h ASP 63 CO -0.02 0.96 -0.02 0.40 -1.72 0.00 0.00 179.24 178.83 2cfh h ILE 64 N 0.84 1.27 -0.74 0.35 2.04 -0.24 0.45 117.51 121.50 2cfh h ILE 64 Ca 0.15 -0.95 -0.03 0.00 1.00 0.00 0.00 64.86 65.04 2cfh h ILE 64 Cb 0.52 1.51 -0.03 0.00 -0.74 0.00 0.00 36.82 38.08 2cfh h ILE 64 CO 0.03 0.29 0.34 0.24 0.00 0.00 0.00 178.15 179.04 2cfh h MET 65 N 0.09 1.06 -0.58 2.37 2.86 -0.86 -1.22 114.93 118.64 2cfh h MET 65 Ca 0.05 -0.16 0.02 0.00 -2.06 0.00 0.00 59.70 57.56 2cfh h MET 65 Cb 0.44 -0.19 -0.04 0.00 0.06 0.00 0.00 31.60 31.88 2cfh h MET 65 CO 0.01 0.83 0.36 0.87 1.06 0.00 0.00 176.91 180.04 2cfh h LYS 66 N 1.05 0.70 -0.35 1.72 1.57 -0.89 -1.14 116.57 119.23 2cfh h LYS 66 Ca 0.25 -0.04 0.02 0.00 -1.87 0.00 0.00 60.65 59.01 2cfh h LYS 66 Cb 0.13 -0.16 -0.03 0.00 0.08 0.00 0.00 32.23 32.25 2cfh h LYS 66 CO -0.03 0.46 0.17 0.35 -0.57 0.00 0.00 179.45 179.83 2cfh h PHE 67 N 0.72 0.32 -0.57 -1.35 3.57 -0.35 -1.68 116.94 117.60 2cfh h PHE 67 Ca 0.23 0.01 0.03 0.00 3.53 0.00 0.00 57.97 61.77 2cfh h PHE 67 Cb 0.00 -0.09 -0.04 0.00 2.79 0.00 0.00 35.95 38.61 2cfh h PHE 67 CO -0.05 0.17 0.34 0.82 -2.23 0.00 0.00 178.31 177.36 2cfh h ILE 68 N 0.36 1.06 0.00 1.41 1.08 -0.89 0.64 117.51 121.17 2cfh h ILE 68 Ca 0.14 -0.23 -0.05 0.00 -0.39 0.00 0.00 64.86 64.33 2cfh h ILE 68 Cb 0.05 0.32 -0.01 0.00 -3.07 0.00 0.00 36.82 34.12 2cfh h ILE 68 CO -0.10 0.12 -0.24 0.00 -0.69 0.00 0.00 178.15 177.25 2cfh n LYS 70 N -3.93 0.19 0.03 0.00 -0.00 -0.66 -0.94 118.16 112.85 2cfh n LYS 70 Ca -0.02 0.07 -0.19 0.00 -0.00 0.00 0.00 58.31 58.18 2cfh n LYS 70 Cb 0.32 -0.74 -0.13 0.00 -0.00 0.00 0.00 35.03 34.47 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 -0.35 0.47 -0.04 -5.58 3.32 0.05 -1.64 116.42 112.64 2cfh h ASP 71 Ca 0.00 -0.88 -0.02 0.00 0.02 0.00 0.00 57.03 56.14 2cfh h ASP 71 Cb 0.35 -0.15 -0.00 0.00 0.22 0.00 0.00 39.33 39.75 2cfh h ASP 71 CO 0.00 1.30 -0.07 0.15 -1.72 0.00 0.00 179.24 178.90 2cfh h PHE 72 N -0.30 0.15 -0.97 4.55 3.57 -1.35 0.36 116.94 122.96 2cfh h PHE 72 Ca -0.11 -0.05 0.08 0.00 3.53 0.00 0.00 57.97 61.42 2cfh h PHE 72 Cb 1.49 -0.03 -0.07 0.00 2.79 0.00 0.00 35.95 40.12 2cfh h PHE 72 CO 0.18 0.64 0.61 2.35 -2.23 0.00 0.00 178.31 179.87 2cfh h TRP 73 N -0.38 1.12 -0.26 0.41 2.91 -1.23 -2.17 115.95 116.35 2cfh h TRP 73 Ca 0.00 0.03 -0.08 0.00 1.13 0.00 0.00 58.89 59.97 2cfh h TRP 73 Cb 0.63 -0.36 -0.01 0.00 -0.51 0.00 0.00 29.16 28.90 2cfh h TRP 73 CO 0.11 0.53 -0.20 1.15 -1.03 0.00 0.00 178.44 179.00 2cfh h THR 74 N 1.06 1.25 -0.66 2.65 2.02 -0.76 0.41 112.91 118.88 2cfh h THR 74 Ca 0.44 -1.15 -0.04 0.00 0.77 0.00 0.00 66.41 66.43 2cfh h THR 74 Cb 0.28 1.28 -0.03 0.00 -1.74 0.00 0.00 68.15 67.93 2cfh h THR 74 CO -0.21 0.37 0.27 0.74 0.37 0.00 0.00 175.52 177.06 2cfh h THR 75 N 0.42 1.24 0.11 3.16 2.02 -0.32 -0.48 112.91 119.06 2cfh h THR 75 Ca 0.07 -0.75 -0.31 0.00 0.77 0.00 0.00 66.41 66.18 2cfh h THR 75 Cb 0.59 0.49 -0.01 0.00 -1.74 0.00 0.00 68.15 67.48 2cfh h THR 75 CO 0.04 0.30 -1.67 0.58 0.37 0.00 0.00 175.52 175.14 2cfh h VAL 76 N 0.94 0.84 0.00 3.16 2.07 -1.05 -3.41 116.25 118.80 2cfh h VAL 76 Ca 0.22 -2.35 0.00 0.00 0.82 0.00 0.00 66.70 65.39 2cfh h VAL 76 Cb 0.21 2.56 0.00 0.00 -1.52 0.00 0.00 31.29 32.54 2cfh h VAL 76 CO -0.02 0.74 0.00 0.49 0.02 0.00 0.00 177.57 178.80 2cfh n PHE 77 N -3.79 0.00 -1.36 1.57 3.72 0.14 -4.99 117.46 112.75 2cfh n PHE 77 Ca -0.29 -0.28 -0.12 0.00 -0.05 0.00 0.00 57.45 56.71 2cfh n PHE 77 Cb 0.95 -0.03 -0.05 0.00 -0.94 0.00 0.00 39.48 39.41 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 -0.28 -0.96 -3.81 -1.08 4.01 -0.19 -4.94 118.16 110.91 2cfh n LYS 78 Ca 0.00 0.92 -0.08 0.00 -0.51 0.00 0.00 58.31 58.64 2cfh n LYS 78 Cb 0.15 -4.98 -0.02 0.00 -0.51 0.00 0.00 35.03 29.67 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 -2.98 1.67 0.49 1.97 -2.85 -1.25 -4.94 119.74 111.84 2cfh s LYS 79 Ca 0.00 -0.94 -0.01 0.00 -1.00 0.00 0.00 55.97 54.02 2cfh s LYS 79 Cb 0.00 0.59 0.00 0.00 -2.06 0.00 0.00 37.83 36.36 2cfh s LYS 79 CO 0.00 -0.75 0.72 -0.65 0.10 0.00 0.00 175.35 174.77 2cfh s GLN 80 N -3.91 2.95 0.65 1.78 -0.21 -1.26 -2.13 119.66 117.52 2cfh s GLN 80 Ca 0.11 -0.46 -0.15 0.00 0.02 0.00 0.00 55.36 54.88 2cfh s GLN 80 Cb -0.04 -2.50 -0.01 0.00 1.00 0.00 0.00 33.01 31.46 2cfh s GLN 80 CO 0.04 -0.41 1.09 0.96 -2.12 0.00 0.00 175.29 174.84 2cfh s ILE 81 N -2.66 3.50 0.01 1.08 -0.00 -0.12 -4.97 121.20 118.05 2cfh s ILE 81 Ca 0.51 0.67 0.10 0.00 -0.00 0.00 0.00 60.65 61.93 2cfh s ILE 81 Cb -0.10 -3.21 -0.23 0.00 -0.00 0.00 0.00 42.46 38.92 2cfh s ILE 81 CO 0.39 -0.46 0.86 0.44 -0.00 0.00 0.00 174.94 176.17 2cfh h ASP 82 N 0.05 0.02 -3.59 4.36 3.32 -0.81 -3.46 116.42 116.30 2cfh h ASP 82 Ca -0.46 -0.03 -0.16 0.00 0.02 0.00 0.00 57.03 56.39 2cfh h ASP 82 Cb 1.23 -0.01 -0.27 0.00 0.22 0.00 0.00 39.33 40.51 2cfh h ASP 82 CO 0.55 1.03 -0.41 0.20 -1.72 0.00 0.00 179.24 178.89 2cfh s ASN 83 N -6.33 -0.31 -0.23 6.45 -0.87 -1.09 -4.99 114.94 107.56 2cfh s ASN 83 Ca -0.03 0.60 -0.04 0.00 -1.57 0.00 0.00 52.86 51.82 2cfh s ASN 83 Cb 0.09 0.55 -0.00 0.00 -0.02 0.00 0.00 41.25 41.86 2cfh s ASN 83 CO 0.82 -0.13 -0.03 -0.22 -2.57 0.00 0.00 177.10 174.97 2cfh s LEU 84 N 0.69 3.04 0.18 0.60 2.96 -1.26 -0.07 118.68 124.82 2cfh s LEU 84 Ca -0.04 -0.48 0.09 0.00 -0.22 0.00 0.00 54.13 53.48 2cfh s LEU 84 Cb -0.06 -1.75 -0.04 0.00 0.50 0.00 0.00 46.19 44.84 2cfh s LEU 84 CO -0.04 -0.05 -0.13 -0.13 -1.32 0.00 0.00 176.35 174.67 2cfh s ARG 85 N 1.47 1.93 0.04 1.98 0.52 -0.29 -4.96 118.95 119.63 2cfh s ARG 85 Ca 0.05 -1.33 -0.11 0.00 -0.52 0.00 0.00 55.73 53.81 2cfh s ARG 85 Cb -0.15 -2.08 0.01 0.00 0.52 0.00 0.00 34.95 33.25 2cfh s ARG 85 CO -0.03 0.43 0.24 -0.08 0.02 0.00 0.00 175.30 175.88 2cfh s THR 86 N -1.70 0.09 -1.73 0.02 -1.32 -1.26 -0.74 115.64 109.01 2cfh s THR 86 Ca 0.24 -0.78 0.23 0.00 -1.21 0.00 0.00 61.69 60.17 2cfh s THR 86 Cb -0.09 -0.89 0.03 0.00 -1.51 0.00 0.00 72.50 70.04 2cfh s THR 86 CO 0.14 -0.43 1.21 -0.46 -2.21 0.00 0.00 174.62 172.86 2cfh n ASN 87 N 0.69 1.50 -1.48 8.08 0.23 -0.94 -4.95 115.26 118.39 2cfh n ASN 87 Ca -0.19 -1.19 -0.16 0.00 -0.53 0.00 0.00 54.58 52.52 2cfh n ASN 87 Cb 0.59 0.46 -0.04 0.00 -2.08 0.00 0.00 39.78 38.71 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 -0.52 -0.35 -2.31 -2.53 8.25 -1.26 -4.88 115.22 111.61 2cfh n HIS 88 Ca 0.09 0.00 0.04 0.00 -0.26 0.00 0.00 57.72 57.59 2cfh n HIS 88 Cb 0.41 -2.97 0.06 0.00 1.12 0.00 0.00 29.99 28.61 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 0.50 0.00 -0.41 6.02 -1.26 -4.98 117.38 114.73 2cfh n GLN 89 Ca -0.17 -2.41 0.00 0.00 -0.01 0.00 0.00 57.00 54.41 2cfh n GLN 89 Cb 0.58 -0.48 0.00 0.00 1.02 0.00 0.00 30.24 31.35 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 0.06 2.28 3.75 1.08 0.00 -1.26 -4.92 105.19 106.18 2cfh n GLY 90 Ca 0.10 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.76 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 -2.55 5.37 0.03 -0.61 1.01 -1.26 -0.80 121.20 122.41 2cfh s ILE 91 Ca 0.00 0.33 0.06 0.00 0.00 0.00 0.00 60.65 61.04 2cfh s ILE 91 Cb 0.00 -3.52 -0.02 0.00 0.01 0.00 0.00 42.46 38.92 2cfh s ILE 91 CO 0.00 0.45 -0.18 -0.31 0.00 0.00 0.00 174.94 174.90 2cfh s TYR 92 N 0.19 1.54 -0.14 3.97 1.51 0.78 -2.22 117.35 122.97 2cfh s TYR 92 Ca 0.12 -0.35 0.01 0.00 -1.01 0.00 0.00 57.07 55.84 2cfh s TYR 92 Cb -0.12 -0.93 0.02 0.00 -0.11 0.00 0.00 41.96 40.82 2cfh s TYR 92 CO 0.01 0.06 -0.17 0.08 -1.11 0.00 0.00 175.55 174.42 2cfh s VAL 93 N -0.76 1.74 -0.31 0.71 1.01 0.09 -0.23 120.40 122.64 2cfh s VAL 93 Ca 0.05 -0.76 -0.05 0.00 0.00 0.00 0.00 61.98 61.22 2cfh s VAL 93 Cb -0.08 -1.59 0.03 0.00 0.00 0.00 0.00 36.38 34.74 2cfh s VAL 93 CO 0.01 0.49 0.06 -0.76 0.00 0.00 0.00 175.10 174.90 2cfh s LEU 94 N 1.21 4.03 -0.20 3.92 1.02 0.64 -1.14 118.68 128.16 2cfh s LEU 94 Ca 0.00 -1.06 -0.14 0.00 0.02 0.00 0.00 54.13 52.95 2cfh s LEU 94 Cb -0.14 -1.82 -0.04 0.00 0.02 0.00 0.00 46.19 44.21 2cfh s LEU 94 CO -0.07 -0.27 0.32 -1.58 0.02 0.00 0.00 176.35 174.77 2cfh s GLN 95 N 1.38 4.17 -0.25 1.70 0.74 0.89 -0.69 119.66 127.60 2cfh s GLN 95 Ca -0.01 0.06 -0.00 0.00 0.05 0.00 0.00 55.36 55.46 2cfh s GLN 95 Cb -0.19 -3.52 0.04 0.00 1.10 0.00 0.00 33.01 30.44 2cfh s GLN 95 CO 0.01 0.04 -0.08 0.34 -0.55 0.00 0.00 175.29 175.05 2cfh s ASP 96 N 0.93 4.30 0.28 6.67 -1.08 0.20 -0.04 116.67 127.92 2cfh s ASP 96 Ca 0.16 -1.03 0.09 0.00 -0.52 0.00 0.00 52.55 51.25 2cfh s ASP 96 Cb -0.14 -1.62 0.38 0.00 -1.46 0.00 0.00 42.92 40.08 2cfh s ASP 96 CO 0.06 -0.15 1.63 0.78 0.52 0.00 0.00 175.17 178.01 2cfh h ASN 97 N 7.95 0.06 -2.68 -0.34 2.35 -1.89 -3.29 115.58 117.75 2cfh h ASN 97 Ca -0.29 -0.04 -0.60 0.00 -0.55 0.00 0.00 56.30 54.82 2cfh h ASN 97 Cb 1.09 -0.02 -0.40 0.00 0.05 0.00 0.00 38.32 39.04 2cfh h ASN 97 CO 0.55 0.63 -0.77 0.29 -1.65 0.00 0.00 177.43 176.47 2cfh n LYS 98 N -3.86 1.09 -2.18 0.81 4.76 -1.26 -2.92 118.16 114.60 2cfh n LYS 98 Ca -0.01 -3.86 -0.42 0.00 -2.87 0.00 0.00 58.31 51.14 2cfh n LYS 98 Cb 0.59 -1.97 -0.03 0.00 -1.84 0.00 0.00 35.03 31.78 2cfh n LYS 98 CO 0.00 0.00 0.00 0.12 -1.37 0.00 0.00 177.40 176.15 2cfh s PHE 99 N -0.83 2.39 0.31 2.13 5.36 -0.69 -4.88 117.98 121.77 2cfh s PHE 99 Ca 0.30 0.55 0.28 0.00 -0.96 0.00 0.00 56.93 57.10 2cfh s PHE 99 Cb 0.01 -3.74 1.34 0.00 -0.34 0.00 0.00 43.02 40.29 2cfh s PHE 99 CO -0.17 -2.94 2.01 0.00 -1.46 0.00 0.00 175.22 172.65 2cfh h ARG 100 N 8.86 0.00 -0.04 10.12 2.47 -1.96 -2.24 114.38 131.59 2cfh h ARG 100 Ca -0.35 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.37 2cfh h ARG 100 Cb 1.15 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 29.47 2cfh h ARG 100 CO 0.95 0.13 0.00 1.28 0.56 0.00 0.00 179.97 182.90 2cfh n LEU 101 N -3.47 1.49 -3.48 3.04 4.77 -1.26 -3.80 117.00 114.29 2cfh n LEU 101 Ca -0.01 -0.52 -0.38 0.00 -0.03 0.00 0.00 56.01 55.07 2cfh n LEU 101 Cb 0.29 -0.02 0.01 0.00 -2.33 0.00 0.00 43.42 41.37 2cfh n LEU 101 CO 0.30 0.26 1.17 0.18 -1.33 0.00 0.00 177.39 177.97 2cfh n LEU 102 N 0.17 6.77 0.00 2.23 4.77 -0.84 -4.51 117.00 125.58 2cfh n LEU 102 Ca 0.19 -5.44 0.00 0.00 -0.03 0.00 0.00 56.01 50.73 2cfh n LEU 102 Cb 0.34 -1.04 0.00 0.00 -2.33 0.00 0.00 43.42 40.39 2cfh n LEU 102 CO 0.16 2.11 -0.10 0.41 -1.33 0.00 0.00 177.39 178.64 2cfh n THR 103 N -0.11 0.00 -1.88 -5.08 -1.04 -1.25 -4.96 114.28 99.96 2cfh n THR 103 Ca 0.44 -0.03 -0.37 0.00 -2.04 0.00 0.00 64.05 62.05 2cfh n THR 103 Cb 0.29 0.33 -0.04 0.00 -1.82 0.00 0.00 70.33 69.09 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 -0.35 2.06 -1.23 -2.82 1.13 -1.26 -5.19 117.38 109.72 2cfh n GLN 104 Ca 0.00 -2.48 -0.31 0.00 -1.94 0.00 0.00 57.00 52.27 2cfh n GLN 104 Cb 0.00 -3.41 0.10 0.00 0.11 0.00 0.00 30.24 27.04 2cfh n GLN 104 CO 0.00 0.00 0.00 -1.64 -1.44 0.00 0.00 177.06 173.98 2cfh s MET 105 N 5.21 2.12 0.00 -1.09 -1.94 -1.26 -5.08 119.30 117.26 2cfh s MET 105 Ca 0.60 1.16 0.00 0.00 -1.71 0.00 0.00 55.69 55.74 2cfh s MET 105 Cb 0.06 -1.88 0.00 0.00 2.01 0.00 0.00 34.83 35.02 2cfh s MET 105 CO 0.09 -1.73 0.00 0.98 -0.01 0.00 0.00 175.02 174.35 2cfh n TYR 111 N -3.58 0.00 -1.53 -0.03 9.36 -1.26 -5.30 117.16 114.82 2cfh n TYR 111 Ca 0.09 0.00 -0.21 0.00 3.32 0.00 0.00 57.90 61.10 2cfh n TYR 111 Cb 0.53 0.00 -0.15 0.00 -0.63 0.00 0.00 39.34 39.09 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 0.24 0.24 2.98 4.77 -1.26 -4.83 117.00 119.14 2cfh n LEU 112 Ca 0.00 -0.84 -0.16 0.00 -0.03 0.00 0.00 56.01 54.98 2cfh n LEU 112 Cb 0.00 -1.08 -0.08 0.00 -2.33 0.00 0.00 43.42 39.93 2cfh n LEU 112 CO 0.00 -1.84 0.65 -0.33 -1.33 0.00 0.00 177.39 174.54 2cfh h GLU 113 N 12.43 -0.69 -0.91 3.23 5.08 -2.07 -3.20 114.58 128.45 2cfh h GLU 113 Ca -0.01 0.05 -0.09 0.00 -1.00 0.00 0.00 59.36 58.32 2cfh h GLU 113 Cb 1.11 0.16 -0.05 0.00 0.50 0.00 0.00 28.75 30.46 2cfh h GLU 113 CO 1.33 -0.46 0.11 0.72 -1.00 0.00 0.00 179.01 179.71 2cfh n HIS 114 N -5.44 0.98 -0.14 4.33 -0.00 -1.26 -4.64 115.22 109.05 2cfh n HIS 114 Ca -0.10 -0.60 0.28 0.00 -0.00 0.00 0.00 57.72 57.30 2cfh n HIS 114 Cb 0.34 -0.37 0.68 0.00 -0.00 0.00 0.00 29.99 30.64 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 2.29 2.69 0.00 -1.41 0.00 -1.95 -0.23 119.26 120.65 2cfh h ALA 115 Ca 0.11 -0.03 -0.04 0.00 0.00 0.00 0.00 54.91 54.94 2cfh h ALA 115 Cb 1.36 0.06 -0.01 0.00 0.00 0.00 0.00 17.79 19.21 2cfh h ALA 115 CO 0.30 -1.21 -0.21 0.66 0.00 0.00 0.00 179.25 178.78 2cfh h SER 116 N 0.00 0.00 -0.16 0.00 4.64 -1.90 -2.19 113.55 113.94 2cfh h SER 116 Ca 0.40 0.00 0.02 0.00 -0.47 0.00 0.00 61.79 61.74 2cfh h SER 116 Cb 1.95 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 64.03 2cfh h SER 116 CO -0.00 0.21 0.11 0.11 -0.87 0.00 0.00 176.83 176.39 2cfh h LYS 117 N 0.00 0.12 0.00 4.77 1.57 -1.42 -2.62 116.57 118.98 2cfh h LYS 117 Ca -0.00 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.77 2cfh h LYS 117 Cb 0.90 -0.03 0.00 0.00 0.08 0.00 0.00 32.23 33.18 2cfh h LYS 117 CO 0.03 0.08 0.00 0.66 -0.57 0.00 0.00 179.45 179.65 2cfh n TYR 118 N -4.51 0.00 -0.02 -1.35 4.02 -0.82 -2.94 117.16 111.53 2cfh n TYR 118 Ca 0.00 0.00 0.08 0.00 -0.01 0.00 0.00 57.90 57.97 2cfh n TYR 118 Cb 0.15 -0.02 -0.15 0.00 -0.02 0.00 0.00 39.34 39.30 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 -1.02 0.00 -0.11 7.72 4.77 -0.99 -4.73 117.00 122.65 2cfh n LEU 119 Ca 0.22 0.00 -0.09 0.00 -0.03 0.00 0.00 56.01 56.10 2cfh n LEU 119 Cb 0.11 0.05 -0.02 0.00 -2.33 0.00 0.00 43.42 41.24 2cfh n LEU 119 CO 0.17 0.05 0.93 0.00 -1.33 0.00 0.00 177.39 177.21 2cfh h ALA 120 N 1.71 0.43 -0.78 -1.18 0.00 -1.58 -0.51 119.26 117.35 2cfh h ALA 120 Ca -0.06 -0.10 0.07 0.00 0.00 0.00 0.00 54.91 54.82 2cfh h ALA 120 Cb 1.05 -0.13 -0.06 0.00 0.00 0.00 0.00 17.79 18.65 2cfh h ALA 120 CO 0.00 -0.01 0.46 0.35 0.00 0.00 0.00 179.25 180.05 2cfh h PHE 121 N 0.40 0.84 0.00 0.00 3.57 -1.79 -2.39 116.94 117.57 2cfh h PHE 121 Ca 0.11 0.03 -0.12 0.00 3.53 0.00 0.00 57.97 61.52 2cfh h PHE 121 Cb 0.13 -0.26 -0.02 0.00 2.79 0.00 0.00 35.95 38.59 2cfh h PHE 121 CO -0.02 0.39 -0.57 1.15 -2.23 0.00 0.00 178.31 177.03 2cfh h THR 122 N 0.81 1.17 -0.76 4.41 2.02 -1.57 -0.42 112.91 118.58 2cfh h THR 122 Ca 0.36 -2.14 -0.02 0.00 0.77 0.00 0.00 66.41 65.38 2cfh h THR 122 Cb 0.24 2.23 -0.04 0.00 -1.74 0.00 0.00 68.15 68.85 2cfh h THR 122 CO -0.20 0.56 0.38 0.00 0.37 0.00 0.00 175.52 176.63 2cfh h GLY 124 N 1.11 0.78 -0.14 0.00 0.00 -0.89 -2.10 103.07 101.83 2cfh h GLY 124 Ca 0.26 -0.76 0.11 0.00 0.00 0.00 0.00 47.33 46.94 2cfh h GLY 124 CO -0.04 0.69 -0.18 -2.00 0.00 0.00 0.00 176.54 175.01 2cfh h LEU 125 N 0.48 -0.64 0.10 3.11 5.85 -0.68 0.32 115.31 123.84 2cfh h LEU 125 Ca 0.06 0.17 -0.00 0.00 0.84 0.00 0.00 57.88 58.95 2cfh h LEU 125 Cb 0.80 0.38 0.00 0.00 0.37 0.00 0.00 40.66 42.21 2cfh h LEU 125 CO 0.06 -0.21 -0.05 0.40 -0.34 0.00 0.00 178.44 178.30 2cfh h ILE 126 N -0.05 1.02 -0.82 4.05 2.04 -1.52 -0.10 117.51 122.14 2cfh h ILE 126 Ca 0.25 -0.47 0.04 0.00 1.00 0.00 0.00 64.86 65.68 2cfh h ILE 126 Cb 0.44 1.33 -0.05 0.00 -0.74 0.00 0.00 36.82 37.79 2cfh h ILE 126 CO -0.58 0.12 0.51 -0.09 0.00 0.00 0.00 178.15 178.11 2cfh h ARG 127 N -0.35 0.94 -0.04 2.37 2.43 -0.83 0.12 114.38 119.02 2cfh h ARG 127 Ca -0.01 -0.06 -0.21 0.00 -0.81 0.00 0.00 59.98 58.89 2cfh h ARG 127 Cb 0.29 -0.21 -0.00 0.00 -0.42 0.00 0.00 29.97 29.63 2cfh h ARG 127 CO 0.02 0.62 -0.85 0.78 -1.51 0.00 0.00 179.97 179.04 2cfh h GLY 128 N 0.97 0.48 0.80 2.80 0.00 -0.37 0.18 103.07 107.93 2cfh h GLY 128 Ca 0.34 -0.76 0.05 0.00 0.00 0.00 0.00 47.33 46.96 2cfh h GLY 128 CO -0.14 0.67 0.59 -1.33 0.00 0.00 0.00 176.54 176.33 2cfh h GLY 129 N 1.22 1.36 1.50 4.60 0.00 -0.76 -1.88 103.07 109.11 2cfh h GLY 129 Ca -0.06 -0.44 -0.22 0.00 0.00 0.00 0.00 47.33 46.62 2cfh h GLY 129 CO 0.15 0.34 -0.90 1.41 0.00 0.00 0.00 176.54 177.54 2cfh h LEU 130 N 1.10 0.59 -0.34 3.11 3.38 -0.48 -2.86 115.31 119.81 2cfh h LEU 130 Ca 0.38 -0.45 0.07 0.00 0.09 0.00 0.00 57.88 57.97 2cfh h LEU 130 Cb 0.09 -0.18 -0.06 0.00 0.09 0.00 0.00 40.66 40.60 2cfh h LEU 130 CO -0.15 1.24 -0.07 -1.28 0.09 0.00 0.00 178.44 178.27 2cfh h SER 131 N 0.28 -0.28 0.71 -0.43 0.87 -0.28 0.11 113.55 114.53 2cfh h SER 131 Ca -0.07 0.10 0.00 0.00 -1.23 0.00 0.00 61.79 60.58 2cfh h SER 131 Cb 1.52 0.20 0.00 0.00 -0.44 0.00 0.00 62.40 63.68 2cfh h SER 131 CO 0.16 -0.10 0.00 0.59 -0.53 0.00 0.00 176.83 176.95 2cfh n ASN 132 N -5.25 0.43 -1.21 6.23 4.13 -0.73 -1.82 115.26 117.04 2cfh n ASN 132 Ca 0.01 0.60 0.11 0.00 1.68 0.00 0.00 54.58 56.98 2cfh n ASN 132 Cb 0.19 -0.69 0.28 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 -1.97 3.55 0.00 3.41 4.77 -0.05 -4.96 117.00 121.75 2cfh n LEU 133 Ca 0.03 -1.68 0.00 0.00 -0.03 0.00 0.00 56.01 54.33 2cfh n LEU 133 Cb 0.23 -0.37 0.00 0.00 -2.33 0.00 0.00 43.42 40.94 2cfh n LEU 133 CO 0.19 0.84 0.00 0.61 -1.33 0.00 0.00 177.39 177.69 2cfh n GLY 134 N 1.55 0.84 3.26 -0.72 0.00 -0.44 -5.05 105.19 104.63 2cfh n GLY 134 Ca 0.22 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.90 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 -2.05 2.85 0.07 -0.61 -1.09 0.19 -4.97 121.20 115.59 2cfh s ILE 135 Ca 0.00 -0.68 -0.26 0.00 -2.23 0.00 0.00 60.65 57.48 2cfh s ILE 135 Cb 0.00 -2.25 -0.06 0.00 -1.58 0.00 0.00 42.46 38.57 2cfh s ILE 135 CO 0.00 0.48 0.80 -0.54 -1.23 0.00 0.00 174.94 174.45 2cfh s LYS 136 N 1.16 4.54 0.13 2.79 1.02 -1.26 -2.40 119.74 125.71 2cfh s LYS 136 Ca 0.01 1.14 -0.07 0.00 0.02 0.00 0.00 55.97 57.07 2cfh s LYS 136 Cb -0.14 -3.35 -0.01 0.00 -0.52 0.00 0.00 37.83 33.80 2cfh s LYS 136 CO -0.04 0.31 0.20 -1.54 -0.92 0.00 0.00 175.35 173.36 2cfh s SER 137 N -0.20 0.13 -0.19 2.83 1.04 -1.26 -0.54 113.70 115.52 2cfh s SER 137 Ca 0.39 -0.86 -0.03 0.00 0.48 0.00 0.00 55.95 55.94 2cfh s SER 137 Cb -0.21 0.37 -0.01 0.00 0.10 0.00 0.00 66.02 66.26 2cfh s SER 137 CO 0.24 -0.80 -0.06 -0.63 0.98 0.00 0.00 173.24 172.98 2cfh s ILE 138 N -3.94 3.42 -0.18 -1.02 1.01 -0.01 -4.91 121.20 115.58 2cfh s ILE 138 Ca 0.14 -0.50 -0.01 0.00 0.00 0.00 0.00 60.65 60.27 2cfh s ILE 138 Cb 0.05 -2.52 -0.01 0.00 0.01 0.00 0.00 42.46 39.99 2cfh s ILE 138 CO -0.04 0.46 -0.11 -0.69 0.00 0.00 0.00 174.94 174.56 2cfh s VAL 139 N 0.99 3.00 0.36 2.92 1.01 -1.26 -1.25 120.40 126.17 2cfh s VAL 139 Ca -0.00 -0.64 0.04 0.00 0.00 0.00 0.00 61.98 61.38 2cfh s VAL 139 Cb -0.15 -2.31 -0.06 0.00 0.00 0.00 0.00 36.38 33.86 2cfh s VAL 139 CO 0.00 0.49 0.05 0.42 0.00 0.00 0.00 175.10 176.06 2cfh s THR 140 N 0.98 1.31 -0.05 3.92 -4.23 -0.14 -4.84 115.64 112.59 2cfh s THR 140 Ca -0.01 -2.00 -0.21 0.00 -1.18 0.00 0.00 61.69 58.29 2cfh s THR 140 Cb -0.15 -2.78 0.04 0.00 1.34 0.00 0.00 72.50 70.96 2cfh s THR 140 CO -0.01 0.00 0.47 0.00 -0.54 0.00 0.00 174.62 174.54 2cfh s ALA 141 N -3.16 -1.21 0.04 3.99 0.00 -1.26 0.61 121.76 120.77 2cfh s ALA 141 Ca 0.34 0.84 -0.08 0.00 0.00 0.00 0.00 51.96 53.06 2cfh s ALA 141 Cb 0.08 -0.08 0.00 0.00 0.00 0.00 0.00 23.12 23.12 2cfh s ALA 141 CO 0.15 -0.30 0.17 -1.83 0.00 0.00 0.00 175.76 173.96 2cfh s GLU 142 N -1.05 0.66 -0.33 0.00 -1.05 -0.42 -5.01 118.70 111.50 2cfh s GLU 142 Ca -0.11 -0.64 -0.29 0.00 -0.15 0.00 0.00 54.97 53.78 2cfh s GLU 142 Cb -0.03 0.27 0.01 0.00 -0.44 0.00 0.00 34.13 33.94 2cfh s GLU 142 CO 0.06 -0.18 1.21 0.54 0.95 0.00 0.00 175.26 177.83 2cfh s VAL 143 N -2.51 4.27 -0.04 1.83 0.11 -1.26 -0.77 120.40 122.03 2cfh s VAL 143 Ca -0.06 1.43 -0.09 0.00 -2.93 0.00 0.00 61.98 60.34 2cfh s VAL 143 Cb -0.01 -4.30 -0.30 0.00 -1.53 0.00 0.00 36.38 30.24 2cfh s VAL 143 CO -0.04 -0.54 0.70 0.77 -3.33 0.00 0.00 175.10 172.66 2cfh h SER 144 N 8.90 0.56 -0.99 3.54 4.64 -1.56 -3.44 113.55 125.19 2cfh h SER 144 Ca -0.24 -0.83 -0.03 0.00 -0.47 0.00 0.00 61.79 60.22 2cfh h SER 144 Cb 1.08 -0.18 -0.20 0.00 -0.31 0.00 0.00 62.40 62.79 2cfh h SER 144 CO 1.04 1.70 -0.42 -0.55 -0.87 0.00 0.00 176.83 177.74 2cfh s SER 145 N -7.20 -1.56 -0.09 4.97 0.15 -0.90 -4.91 113.70 104.16 2cfh s SER 145 Ca -0.14 -0.44 -0.35 0.00 0.70 0.00 0.00 55.95 55.72 2cfh s SER 145 Cb 0.06 1.97 -0.17 0.00 -1.71 0.00 0.00 66.02 66.17 2cfh s SER 145 CO 0.85 -0.21 1.00 0.80 1.20 0.00 0.00 173.24 176.88 2cfh n MET 146 N 4.76 0.00 -0.28 5.44 1.56 -1.26 -1.03 117.12 126.30 2cfh n MET 146 Ca 0.09 0.00 0.06 0.00 -0.27 0.00 0.00 57.70 57.58 2cfh n MET 146 Cb 0.56 -1.26 0.19 0.00 2.15 0.00 0.00 33.22 34.86 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 1.73 2.26 -3.27 2.12 -0.04 -1.26 -5.09 135.00 131.45 2cfh n PRO 147 Ca 0.19 -1.54 -0.19 0.00 -0.04 0.00 0.00 63.50 61.92 2cfh n PRO 147 Cb 0.04 -1.47 0.00 0.00 -0.04 0.00 0.00 33.50 32.03 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 -1.59 4.39 0.00 0.55 0.00 -0.20 -1.71 121.76 123.20 2cfh s ALA 148 Ca 0.28 -1.79 0.00 0.00 0.00 0.00 0.00 51.96 50.45 2cfh s ALA 148 Cb 0.16 -1.33 0.00 0.00 0.00 0.00 0.00 23.12 21.96 2cfh s ALA 148 CO 0.16 -0.36 0.00 0.00 0.00 0.00 0.00 175.76 175.56 2cfh s LYS 150 N 0.00 3.02 -0.20 0.00 1.02 0.05 -0.63 119.74 123.00 2cfh s LYS 150 Ca 0.00 -0.76 -0.06 0.00 0.02 0.00 0.00 55.97 55.17 2cfh s LYS 150 Cb 0.00 -2.44 -0.03 0.00 -0.52 0.00 0.00 37.83 34.84 2cfh s LYS 150 CO 0.00 0.31 0.03 -0.06 -0.92 0.00 0.00 175.35 174.71 2cfh s PHE 151 N 0.07 3.09 -0.25 3.18 0.40 0.14 -1.30 117.98 123.29 2cfh s PHE 151 Ca -0.07 -0.33 -0.09 0.00 -0.60 0.00 0.00 56.93 55.84 2cfh s PHE 151 Cb -0.15 -2.11 -0.04 0.00 0.51 0.00 0.00 43.02 41.23 2cfh s PHE 151 CO 0.05 -0.17 0.14 -1.14 0.70 0.00 0.00 175.22 174.79 2cfh s GLN 152 N 0.97 3.90 -0.31 0.44 0.74 0.20 -0.26 119.66 125.34 2cfh s GLN 152 Ca 0.02 -0.35 -0.09 0.00 0.05 0.00 0.00 55.36 54.99 2cfh s GLN 152 Cb -0.14 -3.49 0.00 0.00 1.10 0.00 0.00 33.01 30.48 2cfh s GLN 152 CO 0.02 -0.08 0.14 0.08 -0.55 0.00 0.00 175.29 174.91 2cfh s VAL 153 N 1.40 4.42 -0.24 1.34 1.01 0.68 -0.96 120.40 128.05 2cfh s VAL 153 Ca 0.06 -0.56 -0.09 0.00 0.00 0.00 0.00 61.98 61.40 2cfh s VAL 153 Cb -0.15 -3.29 -0.04 0.00 0.00 0.00 0.00 36.38 32.90 2cfh s VAL 153 CO 0.06 0.03 0.11 -0.32 0.00 0.00 0.00 175.10 174.99 2cfh s MET 154 N 1.57 3.86 -0.03 2.72 1.75 -0.38 -0.16 119.30 128.63 2cfh s MET 154 Ca 0.04 -0.38 -0.18 0.00 -1.25 0.00 0.00 55.69 53.92 2cfh s MET 154 Cb -0.17 -3.42 -0.05 0.00 2.84 0.00 0.00 34.83 34.02 2cfh s MET 154 CO 0.05 -0.06 0.50 0.42 -0.65 0.00 0.00 175.02 175.29 2cfh s ILE 155 N 1.32 5.00 0.28 10.11 1.01 0.02 -0.83 121.20 138.12 2cfh s ILE 155 Ca 0.06 1.04 -0.14 0.00 0.00 0.00 0.00 60.65 61.61 2cfh s ILE 155 Cb -0.15 -3.83 -0.08 0.00 0.01 0.00 0.00 42.46 38.41 2cfh s ILE 155 CO 0.05 0.45 0.68 -1.10 0.00 0.00 0.00 174.94 175.03 2cfh s GLN 156 N -0.31 3.99 0.00 2.79 -1.52 0.30 -4.87 119.66 120.04 2cfh s GLN 156 Ca 0.27 0.60 0.00 0.00 -1.95 0.00 0.00 55.36 54.28 2cfh s GLN 156 Cb -0.17 -2.57 0.00 0.00 -0.22 0.00 0.00 33.01 30.05 2cfh s GLN 156 CO 0.14 0.24 0.00 1.63 -0.25 0.00 0.00 175.29 177.06 2cfh n LYS 157 N -0.10 1.72 0.00 2.91 5.02 -1.26 -4.70 118.16 121.76 2cfh n LYS 157 Ca 0.02 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.31 2cfh n LYS 157 Cb 0.53 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.54 2cfh n LYS 157 CO 0.00 0.00 0.00 -0.11 -0.52 0.00 0.00 177.40 176.77