#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2fh0 n GLU 37 N 0.00 0.00 -0.34 1.61 1.02 -1.26 -5.15 120.64 116.52 2fh0 n GLU 37 Ca 0.00 0.00 -0.29 0.00 -0.02 0.00 0.00 57.16 56.85 2fh0 n GLU 37 Cb 0.00 -0.11 0.28 0.00 -0.02 0.00 0.00 31.44 31.60 2fh0 n GLU 37 CO 0.00 0.00 0.00 0.27 1.18 0.00 0.00 177.13 178.58 2fh0 n ASN 38 N -1.43 -3.09 -2.56 1.62 6.94 -1.26 -4.46 115.26 111.01 2fh0 n ASN 38 Ca 0.00 -0.55 -0.10 0.00 -0.02 0.00 0.00 54.58 53.91 2fh0 n ASN 38 Cb 0.00 -1.12 0.05 0.00 -2.36 0.00 0.00 39.78 36.35 2fh0 n ASN 38 CO 0.00 0.00 0.00 -1.20 -1.03 0.00 0.00 177.26 175.03 2fh0 n SER 39 N -5.38 -4.14 -4.19 0.53 7.64 -1.26 -5.06 113.62 101.75 2fh0 n SER 39 Ca 0.08 -0.43 -0.22 0.00 1.01 0.00 0.00 58.87 59.31 2fh0 n SER 39 Cb 0.57 -3.41 -0.14 0.00 -1.01 0.00 0.00 64.21 60.23 2fh0 n SER 39 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2fh0 s ALA 40 N -3.24 1.44 0.50 -0.43 0.00 -1.26 -5.14 121.76 113.63 2fh0 s ALA 40 Ca 0.21 -0.94 -0.20 0.00 0.00 0.00 0.00 51.96 51.03 2fh0 s ALA 40 Cb -0.03 -0.25 -0.08 0.00 0.00 0.00 0.00 23.12 22.77 2fh0 s ALA 40 CO 0.46 0.30 1.07 -1.25 0.00 0.00 0.00 175.76 176.33 2fh0 s PRO 41 N -1.20 3.66 -0.36 0.00 0.04 -1.26 -5.05 135.00 130.84 2fh0 s PRO 41 Ca 0.04 1.44 0.03 0.00 0.04 0.00 0.00 61.00 62.55 2fh0 s PRO 41 Cb -0.08 -2.07 0.16 0.00 0.04 0.00 0.00 34.50 32.55 2fh0 s PRO 41 CO 0.02 -0.56 0.41 0.54 0.04 0.00 0.00 177.00 177.45 2fh0 s VAL 42 N -1.92 -0.46 0.00 -0.36 0.11 -1.26 -4.90 120.40 111.61 2fh0 s VAL 42 Ca 0.69 -0.75 0.00 0.00 -2.93 0.00 0.00 61.98 58.99 2fh0 s VAL 42 Cb -0.19 -0.64 0.00 0.00 -1.53 0.00 0.00 36.38 34.03 2fh0 s VAL 42 CO 0.22 -0.47 0.00 0.61 -3.33 0.00 0.00 175.10 172.13 2fh0 n GLY 43 N 4.45 2.90 0.32 6.54 0.00 -1.26 -4.80 105.19 113.34 2fh0 n GLY 43 Ca 0.09 -0.75 0.02 0.00 0.00 0.00 0.00 46.02 45.38 2fh0 n GLY 43 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2fh0 h ALA 44 N 0.00 1.54 -0.78 4.61 0.00 -1.98 0.24 119.26 122.88 2fh0 h ALA 44 Ca 0.00 -0.08 0.07 0.00 0.00 0.00 0.00 54.91 54.91 2fh0 h ALA 44 Cb 0.00 -0.21 -0.05 0.00 0.00 0.00 0.00 17.79 17.52 2fh0 h ALA 44 CO 0.00 0.39 0.51 0.00 0.00 0.00 0.00 179.25 180.16 2fh0 h ALA 45 N 1.60 1.67 0.00 0.00 0.00 -1.90 -2.23 119.26 118.40 2fh0 h ALA 45 Ca 0.19 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.08 2fh0 h ALA 45 Cb 0.00 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 17.59 2fh0 h ALA 45 CO -0.03 0.19 -1.30 -0.89 0.00 0.00 0.00 179.25 177.22 2fh0 n ILE 46 N -4.49 0.00 0.06 0.00 5.41 -0.89 -4.35 119.36 115.10 2fh0 n ILE 46 Ca 0.12 -0.15 0.16 0.00 1.00 0.00 0.00 62.75 63.88 2fh0 n ILE 46 Cb 0.24 0.69 0.66 0.00 -0.71 0.00 0.00 39.64 40.53 2fh0 n ILE 46 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 2fh0 h ALA 47 N 2.70 2.33 0.00 -1.39 0.00 0.10 0.81 119.26 123.81 2fh0 h ALA 47 Ca 0.00 -0.01 -0.14 0.00 0.00 0.00 0.00 54.91 54.76 2fh0 h ALA 47 Cb 0.65 0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.44 2fh0 h ALA 47 CO 0.00 -0.44 -0.64 -0.91 0.00 0.00 0.00 179.25 177.26 2fh0 h ASN 48 N 0.03 0.00 0.63 0.00 -0.26 -1.76 -3.34 115.58 110.88 2fh0 h ASN 48 Ca 0.19 0.00 -0.03 0.00 -0.56 0.00 0.00 56.30 55.89 2fh0 h ASN 48 Cb 0.70 0.00 0.01 0.00 -1.06 0.00 0.00 38.32 37.97 2fh0 h ASN 48 CO -0.01 0.64 -0.30 0.15 -1.06 0.00 0.00 177.43 176.85 2fh0 h PHE 49 N 0.00 -0.78 -3.85 1.19 3.57 -1.08 -3.45 116.94 112.55 2fh0 h PHE 49 Ca -0.01 -0.02 -0.44 0.00 3.53 0.00 0.00 57.97 61.04 2fh0 h PHE 49 Cb 1.40 0.26 0.17 0.00 2.79 0.00 0.00 35.95 40.57 2fh0 h PHE 49 CO 0.00 -0.44 0.24 -0.51 -2.23 0.00 0.00 178.31 175.37 2fh0 s LEU 50 N -9.80 1.56 0.21 0.59 1.02 -1.12 -3.83 118.68 107.32 2fh0 s LEU 50 Ca -0.16 0.70 0.07 0.00 0.02 0.00 0.00 54.13 54.76 2fh0 s LEU 50 Cb 0.02 -2.70 -0.04 0.00 0.02 0.00 0.00 46.19 43.50 2fh0 s LEU 50 CO 0.55 -3.32 0.10 -1.61 0.02 0.00 0.00 176.35 172.10 2fh0 s GLU 51 N -5.43 2.70 0.21 1.70 0.41 -1.18 -4.93 118.70 112.18 2fh0 s GLU 51 Ca 0.69 -1.08 -0.09 0.00 -0.41 0.00 0.00 54.97 54.09 2fh0 s GLU 51 Cb -0.11 -2.47 0.31 0.00 -1.78 0.00 0.00 34.13 30.08 2fh0 s GLU 51 CO 0.55 0.43 1.74 -1.35 -0.49 0.00 0.00 175.26 176.14 2fh0 h PRO 52 N 2.07 0.40 -0.13 0.39 0.11 -1.95 0.38 132.00 133.27 2fh0 h PRO 52 Ca -0.47 -0.02 -0.04 0.00 0.11 0.00 0.00 66.00 65.57 2fh0 h PRO 52 Cb 1.22 -0.09 -0.00 0.00 0.11 0.00 0.00 31.00 32.24 2fh0 h PRO 52 CO 0.61 0.27 -0.09 1.96 -0.21 0.00 0.00 178.00 180.54 2fh0 h GLN 53 N 0.41 0.29 -0.90 1.05 4.20 -1.99 -1.64 115.11 116.53 2fh0 h GLN 53 Ca 0.33 -0.14 0.00 0.00 0.06 0.00 0.00 58.65 58.90 2fh0 h GLN 53 Cb 0.42 -0.00 -0.04 0.00 0.30 0.00 0.00 27.48 28.15 2fh0 h GLN 53 CO -0.33 0.65 0.58 0.00 -0.67 0.00 0.00 178.83 179.06 2fh0 h ALA 54 N 0.63 1.32 -0.22 3.87 0.00 -1.79 -1.76 119.26 121.31 2fh0 h ALA 54 Ca 0.03 -0.08 -0.05 0.00 0.00 0.00 0.00 54.91 54.81 2fh0 h ALA 54 Cb 0.58 -0.36 -0.01 0.00 0.00 0.00 0.00 17.79 17.99 2fh0 h ALA 54 CO 0.02 0.61 -0.07 -0.07 0.00 0.00 0.00 179.25 179.75 2fh0 h LEU 55 N 1.23 0.45 -0.87 0.00 3.38 -0.21 -1.89 115.31 117.41 2fh0 h LEU 55 Ca 0.33 -0.38 0.06 0.00 0.09 0.00 0.00 57.88 57.98 2fh0 h LEU 55 Cb -0.11 -0.12 -0.06 0.00 0.09 0.00 0.00 40.66 40.46 2fh0 h LEU 55 CO -0.07 0.72 0.54 -0.08 0.09 0.00 0.00 178.44 179.65 2fh0 h GLU 56 N 0.17 0.97 -0.51 1.13 4.81 -0.99 -2.02 114.58 118.14 2fh0 h GLU 56 Ca 0.06 -0.06 -0.08 0.00 -0.13 0.00 0.00 59.36 59.15 2fh0 h GLU 56 Cb 0.53 -0.22 -0.02 0.00 0.63 0.00 0.00 28.75 29.68 2fh0 h GLU 56 CO 0.02 0.64 0.02 -0.09 -0.73 0.00 0.00 179.01 178.87 2fh0 h ARG 57 N 1.00 0.90 -0.85 1.92 1.12 -1.24 -2.92 114.38 114.30 2fh0 h ARG 57 Ca 0.37 -0.28 0.06 0.00 -1.11 0.00 0.00 59.98 59.03 2fh0 h ARG 57 Cb 0.14 -0.09 -0.05 0.00 -0.01 0.00 0.00 29.97 29.96 2fh0 h ARG 57 CO -0.16 0.92 0.56 1.25 -3.11 0.00 0.00 179.97 179.42 2fh0 h LEU 58 N 0.77 0.84 -0.54 3.80 5.85 -0.64 -0.85 115.31 124.53 2fh0 h LEU 58 Ca 0.15 0.01 -0.05 0.00 0.84 0.00 0.00 57.88 58.82 2fh0 h LEU 58 Cb 0.50 -0.17 -0.02 0.00 0.37 0.00 0.00 40.66 41.34 2fh0 h LEU 58 CO 0.02 0.54 0.13 0.28 -0.34 0.00 0.00 178.44 179.07 2fh0 h SER 59 N 0.95 0.83 -0.30 1.25 0.02 -1.24 -0.27 113.55 114.79 2fh0 h SER 59 Ca 0.37 -0.24 -0.04 0.00 -0.84 0.00 0.00 61.79 61.04 2fh0 h SER 59 Cb 0.22 -0.22 -0.01 0.00 0.14 0.00 0.00 62.40 62.53 2fh0 h SER 59 CO -0.13 0.85 0.03 -0.09 -1.14 0.00 0.00 176.83 176.35 2fh0 h ARG 60 N 0.77 0.50 -0.60 3.45 9.65 -1.20 -2.78 114.38 124.18 2fh0 h ARG 60 Ca 0.17 -0.14 -0.10 0.00 -1.10 0.00 0.00 59.98 58.80 2fh0 h ARG 60 Cb 0.35 -0.05 -0.02 0.00 -1.39 0.00 0.00 29.97 28.86 2fh0 h ARG 60 CO 0.00 0.62 -0.02 -0.24 2.80 0.00 0.00 179.97 183.13 2fh0 h VAL 61 N 0.31 1.27 -0.01 0.20 3.04 -1.11 -2.84 116.25 117.11 2fh0 h VAL 61 Ca 0.09 -1.18 0.00 0.00 -1.01 0.00 0.00 66.70 64.60 2fh0 h VAL 61 Cb 0.37 0.83 -0.00 0.00 -2.01 0.00 0.00 31.29 30.48 2fh0 h VAL 61 CO 0.01 0.43 0.01 0.00 -1.01 0.00 0.00 177.57 177.00 2fh0 h ALA 62 N 0.98 2.00 -0.65 3.17 0.00 -0.98 0.39 119.26 124.17 2fh0 h ALA 62 Ca 0.17 -0.00 -0.01 0.00 0.00 0.00 0.00 54.91 55.07 2fh0 h ALA 62 Cb 0.58 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.34 2fh0 h ALA 62 CO 0.03 -0.01 0.38 -0.07 0.00 0.00 0.00 179.25 179.58 2fh0 h LEU 63 N 0.00 0.80 0.04 0.00 3.38 -1.23 -2.23 115.31 116.07 2fh0 h LEU 63 Ca 0.00 -0.08 -0.28 0.00 0.09 0.00 0.00 57.88 57.61 2fh0 h LEU 63 Cb 0.02 -0.20 -0.03 0.00 0.09 0.00 0.00 40.66 40.53 2fh0 h LEU 63 CO -0.00 0.64 -1.54 0.52 0.09 0.00 0.00 178.44 178.15 2fh0 n VAL 64 N -4.56 1.61 -3.73 1.22 0.31 -0.90 -4.73 118.33 107.55 2fh0 n VAL 64 Ca 0.05 -0.23 -0.28 0.00 -0.01 0.00 0.00 64.34 63.86 2fh0 n VAL 64 Cb 0.07 -1.94 -0.12 0.00 -0.91 0.00 0.00 33.84 30.94 2fh0 n VAL 64 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2fh0 s ARG 65 N -2.43 1.69 0.48 5.55 3.03 0.13 -4.95 118.95 122.46 2fh0 s ARG 65 Ca -0.27 -2.57 0.14 0.00 2.03 0.00 0.00 55.73 55.05 2fh0 s ARG 65 Cb 0.06 -2.61 1.13 0.00 -1.03 0.00 0.00 34.95 32.51 2fh0 s ARG 65 CO 0.64 -1.25 2.09 0.07 -1.13 0.00 0.00 175.30 175.72 2fh0 h ARG 66 N 5.98 0.20 -0.52 3.89 0.11 -1.56 -2.50 114.38 119.98 2fh0 h ARG 66 Ca 0.10 -0.01 0.06 0.00 0.10 0.00 0.00 59.98 60.24 2fh0 h ARG 66 Cb 0.86 -0.04 -0.06 0.00 1.11 0.00 0.00 29.97 31.84 2fh0 h ARG 66 CO 0.56 0.13 0.21 0.22 0.10 0.00 0.00 179.97 181.20 2fh0 h ASP 67 N 0.20 0.25 -0.08 0.08 1.82 -1.92 0.38 116.42 117.16 2fh0 h ASP 67 Ca 0.09 0.05 -0.00 0.00 -0.39 0.00 0.00 57.03 56.78 2fh0 h ASP 67 Cb 0.11 0.02 -0.00 0.00 0.68 0.00 0.00 39.33 40.14 2fh0 h ASP 67 CO -0.02 0.17 0.05 0.03 -1.61 0.00 0.00 179.24 177.87 2fh0 h ARG 68 N 0.41 0.11 -0.27 0.28 3.08 -1.81 -2.19 114.38 114.00 2fh0 h ARG 68 Ca 0.25 -0.01 -0.08 0.00 0.07 0.00 0.00 59.98 60.21 2fh0 h ARG 68 Cb 0.24 -0.02 -0.01 0.00 0.08 0.00 0.00 29.97 30.25 2fh0 h ARG 68 CO -0.23 0.12 -0.17 0.00 -1.07 0.00 0.00 179.97 178.62 2fh0 h ALA 69 N 0.99 1.21 -0.84 0.04 0.00 -1.47 -2.70 119.26 116.48 2fh0 h ALA 69 Ca 0.03 -0.29 0.00 0.00 0.00 0.00 0.00 54.91 54.65 2fh0 h ALA 69 Cb 0.04 -0.13 -0.04 0.00 0.00 0.00 0.00 17.79 17.66 2fh0 h ALA 69 CO -0.01 0.51 0.53 0.37 0.00 0.00 0.00 179.25 180.66 2fh0 h GLN 70 N 0.43 1.13 -0.15 0.00 4.15 0.07 -1.52 115.11 119.22 2fh0 h GLN 70 Ca 0.07 -0.09 -0.14 0.00 0.77 0.00 0.00 58.65 59.26 2fh0 h GLN 70 Cb 0.55 -0.25 -0.01 0.00 0.21 0.00 0.00 27.48 27.98 2fh0 h GLN 70 CO 0.04 0.77 -0.52 0.00 -1.93 0.00 0.00 178.83 177.19 2fh0 h ALA 71 N 1.29 0.82 -0.09 3.38 0.00 -1.19 -1.40 119.26 122.07 2fh0 h ALA 71 Ca 0.31 -0.49 -0.01 0.00 0.00 0.00 0.00 54.91 54.71 2fh0 h ALA 71 Cb -0.09 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 17.61 2fh0 h ALA 71 CO -0.06 0.68 0.01 0.28 0.00 0.00 0.00 179.25 180.15 2fh0 h VAL 72 N 0.33 1.23 -0.45 0.00 2.07 -1.12 0.34 116.25 118.66 2fh0 h VAL 72 Ca 0.01 -0.73 -0.12 0.00 0.82 0.00 0.00 66.70 66.68 2fh0 h VAL 72 Cb 1.03 1.55 -0.01 0.00 -1.52 0.00 0.00 31.29 32.33 2fh0 h VAL 72 CO 0.09 0.21 -0.21 1.05 0.02 0.00 0.00 177.57 178.73 2fh0 h GLU 73 N -0.11 0.90 -0.08 1.57 4.11 -1.32 -2.16 114.58 117.50 2fh0 h GLU 73 Ca 0.03 -0.37 -0.17 0.00 0.07 0.00 0.00 59.36 58.92 2fh0 h GLU 73 Cb 0.31 -0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.52 2fh0 h GLU 73 CO 0.00 1.02 -0.68 1.15 0.07 0.00 0.00 179.01 180.57 2fh0 h THR 74 N 0.78 1.39 -0.17 -1.06 2.02 -1.21 -2.45 112.91 112.19 2fh0 h THR 74 Ca 0.11 -2.09 -0.03 0.00 0.77 0.00 0.00 66.41 65.16 2fh0 h THR 74 Cb 0.76 2.07 -0.01 0.00 -1.74 0.00 0.00 68.15 69.23 2fh0 h THR 74 CO 0.06 0.62 -0.01 0.22 0.37 0.00 0.00 175.52 176.78 2fh0 h TYR 75 N 0.24 0.35 -0.30 3.16 5.03 -0.21 -2.08 116.97 123.16 2fh0 h TYR 75 Ca -0.02 -0.07 -0.02 0.00 2.58 0.00 0.00 58.73 61.20 2fh0 h TYR 75 Cb 1.23 -0.09 -0.01 0.00 1.55 0.00 0.00 36.73 39.41 2fh0 h TYR 75 CO 0.03 0.55 0.10 1.25 -1.32 0.00 0.00 178.16 178.77 2fh0 h LEU 76 N 0.05 0.42 -1.47 2.82 5.85 -1.42 -2.73 115.31 118.83 2fh0 h LEU 76 Ca 0.05 -0.19 -0.02 0.00 0.84 0.00 0.00 57.88 58.56 2fh0 h LEU 76 Cb 0.42 -0.11 -0.02 0.00 0.37 0.00 0.00 40.66 41.32 2fh0 h LEU 76 CO 0.01 0.50 0.15 0.07 -0.34 0.00 0.00 178.44 178.83 2fh0 h LYS 77 N 0.32 0.50 -0.23 1.25 2.10 -1.46 -2.36 116.57 116.69 2fh0 h LYS 77 Ca 0.10 -0.06 -0.02 0.00 -2.00 0.00 0.00 60.65 58.67 2fh0 h LYS 77 Cb 0.23 -0.10 -0.01 0.00 -0.90 0.00 0.00 32.23 31.45 2fh0 h LYS 77 CO -0.00 0.41 0.08 0.87 -2.00 0.00 0.00 179.45 178.81 2fh0 h LYS 78 N 0.50 0.35 -0.29 0.07 1.57 -1.11 0.01 116.57 117.68 2fh0 h LYS 78 Ca 0.13 -0.07 -0.00 0.00 -1.87 0.00 0.00 60.65 58.83 2fh0 h LYS 78 Cb 0.09 -0.05 -0.01 0.00 0.08 0.00 0.00 32.23 32.34 2fh0 h LYS 78 CO -0.01 0.42 0.18 -0.07 -0.57 0.00 0.00 179.45 179.39 2fh0 h LEU 79 N 0.21 0.34 -1.20 2.94 4.07 -1.19 -0.81 115.31 119.67 2fh0 h LEU 79 Ca 0.08 -0.05 -0.04 0.00 0.08 0.00 0.00 57.88 57.95 2fh0 h LEU 79 Cb 0.21 -0.09 -0.02 0.00 1.08 0.00 0.00 40.66 41.84 2fh0 h LEU 79 CO -0.00 0.29 0.14 0.40 -1.08 0.00 0.00 178.44 178.19 2fh0 h ILE 80 N 0.37 1.20 -0.26 1.22 2.04 -1.29 -1.45 117.51 119.34 2fh0 h ILE 80 Ca 0.10 -0.67 -0.14 0.00 1.00 0.00 0.00 64.86 65.15 2fh0 h ILE 80 Cb 0.01 0.68 -0.01 0.00 -0.74 0.00 0.00 36.82 36.76 2fh0 h ILE 80 CO -0.02 0.25 -0.42 0.00 0.00 0.00 0.00 178.15 177.96 2fh0 h ALA 81 N 1.47 0.78 0.11 1.87 0.00 -0.51 -3.36 119.26 119.62 2fh0 h ALA 81 Ca 0.16 -0.45 -0.01 0.00 0.00 0.00 0.00 54.91 54.61 2fh0 h ALA 81 Cb 0.21 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 17.90 2fh0 h ALA 81 CO -0.01 0.66 -0.05 1.15 0.00 0.00 0.00 179.25 181.00 2fh0 h THR 82 N 0.51 0.00 0.00 0.00 2.02 -0.82 -3.49 112.91 111.13 2fh0 h THR 82 Ca 0.04 -0.38 0.00 0.00 0.77 0.00 0.00 66.41 66.84 2fh0 h THR 82 Cb 0.94 0.00 0.00 0.00 -1.74 0.00 0.00 68.15 67.35 2fh0 h THR 82 CO 0.08 0.00 0.00 -0.46 0.37 0.00 0.00 175.52 175.51 2fh0 n ASN 83 N -3.44 0.00 -4.55 4.18 0.23 -0.62 -5.08 115.26 105.97 2fh0 n ASN 83 Ca -0.02 0.00 -0.32 0.00 -0.53 0.00 0.00 54.58 53.71 2fh0 n ASN 83 Cb 0.06 0.00 -0.04 0.00 -2.08 0.00 0.00 39.78 37.72 2fh0 n ASN 83 CO 0.00 0.00 0.00 0.20 -0.93 0.00 0.00 177.26 176.53 2fh0 s ASN 84 N -0.73 4.97 -0.23 0.53 0.01 -0.75 -4.75 114.94 113.98 2fh0 s ASN 84 Ca 0.00 0.13 0.11 0.00 -0.71 0.00 0.00 52.86 52.40 2fh0 s ASN 84 Cb 0.00 -2.54 0.45 0.00 0.41 0.00 0.00 41.25 39.57 2fh0 s ASN 84 CO 0.00 -2.70 1.32 0.52 -1.51 0.00 0.00 177.10 174.73 2fh0 n VAL 85 N 7.67 2.32 -1.90 1.60 0.31 -1.26 -2.88 118.33 124.19 2fh0 n VAL 85 Ca 0.31 -2.86 0.05 0.00 -0.01 0.00 0.00 64.34 61.83 2fh0 n VAL 85 Cb 0.50 -0.27 0.14 0.00 -0.91 0.00 0.00 33.84 33.30 2fh0 n VAL 85 CO 0.00 0.00 0.00 1.07 -1.32 0.00 0.00 176.83 176.58 2fh0 n THR 86 N -1.12 1.42 -0.01 2.52 5.66 -1.26 -4.87 114.28 116.63 2fh0 n THR 86 Ca 0.24 -2.42 -0.00 0.00 -3.05 0.00 0.00 64.05 58.82 2fh0 n THR 86 Cb 0.83 0.19 -0.00 0.00 -1.55 0.00 0.00 70.33 69.80 2fh0 n THR 86 CO 0.00 0.00 0.00 -0.74 -3.05 0.00 0.00 175.07 171.28 2fh0 h HIS 87 N 0.96 0.00 -3.90 1.09 2.76 -2.00 -3.51 115.15 110.56 2fh0 h HIS 87 Ca -0.08 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.09 2fh0 h HIS 87 Cb 1.31 0.00 0.00 0.00 1.55 0.00 0.00 27.41 30.27 2fh0 h HIS 87 CO 0.54 0.00 -0.75 1.63 -1.30 0.00 0.00 177.93 178.05 2fh0 n LYS 88 N -2.41 -4.12 -2.91 5.26 5.02 -1.26 -4.94 118.16 112.80 2fh0 n LYS 88 Ca -0.00 3.08 -0.41 0.00 -2.02 0.00 0.00 58.31 58.95 2fh0 n LYS 88 Cb 0.02 -3.58 -0.04 0.00 -0.02 0.00 0.00 35.03 31.40 2fh0 n LYS 88 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 2fh0 s ILE 89 N -0.44 4.96 0.48 -0.18 1.01 -1.25 -4.98 121.20 120.81 2fh0 s ILE 89 Ca 0.00 1.68 0.06 0.00 0.00 0.00 0.00 60.65 62.39 2fh0 s ILE 89 Cb 0.00 -4.15 -0.00 0.00 0.01 0.00 0.00 42.46 38.32 2fh0 s ILE 89 CO 0.00 0.18 0.28 0.42 0.00 0.00 0.00 174.94 175.83 2fh0 s THR 90 N 1.09 1.92 0.23 2.92 -4.23 -1.26 -3.13 115.64 113.18 2fh0 s THR 90 Ca 0.42 -1.60 -0.06 0.00 -1.18 0.00 0.00 61.69 59.28 2fh0 s THR 90 Cb -0.19 -2.52 0.19 0.00 1.34 0.00 0.00 72.50 71.33 2fh0 s THR 90 CO 0.20 0.00 1.83 -0.08 -0.54 0.00 0.00 174.62 176.03 2fh0 h GLU 91 N 1.06 0.83 -0.33 3.99 4.57 -1.94 0.46 114.58 123.22 2fh0 h GLU 91 Ca -0.40 -0.05 -0.16 0.00 -1.18 0.00 0.00 59.36 57.57 2fh0 h GLU 91 Cb 1.28 -0.19 -0.01 0.00 -0.16 0.00 0.00 28.75 29.68 2fh0 h GLU 91 CO 0.63 0.55 -0.42 0.00 -1.18 0.00 0.00 179.01 178.59 2fh0 h ALA 92 N 1.40 0.64 -0.23 2.92 0.00 -2.00 -2.84 119.26 119.14 2fh0 h ALA 92 Ca 0.36 -0.46 -0.15 0.00 0.00 0.00 0.00 54.91 54.66 2fh0 h ALA 92 Cb 0.22 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 17.89 2fh0 h ALA 92 CO -0.19 0.67 -0.42 1.49 0.00 0.00 0.00 179.25 180.80 2fh0 h GLU 93 N 0.67 0.70 -0.52 0.00 4.57 -1.75 -2.98 114.58 115.27 2fh0 h GLU 93 Ca 0.05 -0.44 -0.03 0.00 -1.18 0.00 0.00 59.36 57.76 2fh0 h GLU 93 Cb 0.99 0.05 -0.03 0.00 -0.16 0.00 0.00 28.75 29.60 2fh0 h GLU 93 CO 0.09 1.06 0.19 0.97 -1.18 0.00 0.00 179.01 180.15 2fh0 h ILE 94 N 0.42 1.20 -0.37 2.32 6.09 -0.14 0.02 117.51 127.04 2fh0 h ILE 94 Ca 0.01 -0.63 -0.05 0.00 -1.37 0.00 0.00 64.86 62.83 2fh0 h ILE 94 Cb 1.02 0.59 -0.01 0.00 0.47 0.00 0.00 36.82 38.89 2fh0 h ILE 94 CO 0.10 0.24 0.05 0.58 -3.07 0.00 0.00 178.15 176.05 2fh0 h VAL 95 N 0.74 1.24 -0.27 2.19 2.07 -1.50 0.79 116.25 121.51 2fh0 h VAL 95 Ca 0.18 -0.86 -0.04 0.00 0.82 0.00 0.00 66.70 66.79 2fh0 h VAL 95 Cb 0.17 1.09 -0.01 0.00 -1.52 0.00 0.00 31.29 31.02 2fh0 h VAL 95 CO -0.01 0.29 -0.00 -1.28 0.02 0.00 0.00 177.57 176.59 2fh0 h SER 96 N 0.46 0.47 -0.15 0.57 0.87 -1.31 -0.58 113.55 113.87 2fh0 h SER 96 Ca 0.11 -0.31 -0.01 0.00 -1.23 0.00 0.00 61.79 60.35 2fh0 h SER 96 Cb 0.37 -0.13 -0.01 0.00 -0.44 0.00 0.00 62.40 62.20 2fh0 h SER 96 CO 0.01 0.67 0.05 0.40 -0.53 0.00 0.00 176.83 177.42 2fh0 h ILE 97 N 0.26 1.18 -0.88 2.23 2.04 -0.95 -0.89 117.51 120.51 2fh0 h ILE 97 Ca 0.08 -0.56 -0.00 0.00 1.00 0.00 0.00 64.86 65.38 2fh0 h ILE 97 Cb 0.42 1.26 -0.04 0.00 -0.74 0.00 0.00 36.82 37.73 2fh0 h ILE 97 CO 0.01 0.17 0.54 -0.07 0.00 0.00 0.00 178.15 178.81 2fh0 h LEU 98 N 0.07 1.05 -0.93 1.44 3.38 -0.83 0.16 115.31 119.64 2fh0 h LEU 98 Ca 0.05 -0.06 -0.08 0.00 0.09 0.00 0.00 57.88 57.88 2fh0 h LEU 98 Cb 0.22 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 40.69 2fh0 h LEU 98 CO -0.00 0.80 -0.10 0.78 0.09 0.00 0.00 178.44 180.01 2fh0 h ASN 99 N 1.21 0.66 -0.08 -0.43 2.35 -0.94 -2.13 115.58 116.22 2fh0 h ASN 99 Ca 0.32 -0.18 -0.24 0.00 -0.55 0.00 0.00 56.30 55.65 2fh0 h ASN 99 Cb -0.07 -0.18 0.01 0.00 0.05 0.00 0.00 38.32 38.14 2fh0 h ASN 99 CO -0.06 0.79 -0.86 1.23 -1.65 0.00 0.00 177.43 176.87 2fh0 h GLY 100 N 0.96 0.83 0.82 2.83 0.00 -0.61 -2.62 103.07 105.27 2fh0 h GLY 100 Ca 0.11 -1.25 0.05 0.00 0.00 0.00 0.00 47.33 46.24 2fh0 h GLY 100 CO 0.03 1.11 0.65 -2.22 0.00 0.00 0.00 176.54 176.12 2fh0 h ILE 101 N 0.48 1.14 -0.22 2.60 2.04 -0.51 0.10 117.51 123.14 2fh0 h ILE 101 Ca -0.08 -0.42 -0.09 0.00 1.00 0.00 0.00 64.86 65.27 2fh0 h ILE 101 Cb 1.50 -0.20 -0.00 0.00 -0.74 0.00 0.00 36.82 37.38 2fh0 h ILE 101 CO 0.17 0.22 -0.22 0.00 0.00 0.00 0.00 178.15 178.33 2fh0 h ALA 102 N 1.43 0.32 -0.86 1.87 0.00 -1.38 -1.47 119.26 119.17 2fh0 h ALA 102 Ca 0.41 -0.36 -0.01 0.00 0.00 0.00 0.00 54.91 54.95 2fh0 h ALA 102 Cb 0.07 -0.07 -0.04 0.00 0.00 0.00 0.00 17.79 17.75 2fh0 h ALA 102 CO -0.15 0.27 0.49 0.87 0.00 0.00 0.00 179.25 180.73 2fh0 h LYS 103 N 0.22 1.19 -0.02 0.00 1.57 -1.05 -2.56 116.57 115.92 2fh0 h LYS 103 Ca 0.03 -0.13 -0.14 0.00 -1.87 0.00 0.00 60.65 58.54 2fh0 h LYS 103 Cb 0.77 -0.24 -0.02 0.00 0.08 0.00 0.00 32.23 32.82 2fh0 h LYS 103 CO 0.05 0.86 -0.65 -0.56 -0.57 0.00 0.00 179.45 178.59 2fh0 h GLN 104 N 1.20 0.10 -5.56 3.15 3.07 -0.98 -3.40 115.11 112.69 2fh0 h GLN 104 Ca 0.31 -0.08 -0.31 0.00 0.09 0.00 0.00 58.65 58.65 2fh0 h GLN 104 Cb 0.01 0.01 -0.04 0.00 0.08 0.00 0.00 27.48 27.54 2fh0 h GLN 104 CO -0.05 0.72 0.92 -1.14 0.09 0.00 0.00 178.83 179.37 2fh0 s GLN 105 N -3.60 2.50 0.02 0.06 2.00 -0.56 -4.77 119.66 115.32 2fh0 s GLN 105 Ca -0.02 -0.81 -0.10 0.00 -2.00 0.00 0.00 55.36 52.43 2fh0 s GLN 105 Cb 0.12 -5.17 0.03 0.00 0.80 0.00 0.00 33.01 28.80 2fh0 s GLN 105 CO 0.78 -3.76 0.47 -1.71 -0.50 0.00 0.00 175.29 170.57 2fh0 n ASN 106 N 14.29 -0.56 -3.97 6.67 2.85 -1.26 -4.96 115.26 128.32 2fh0 n ASN 106 Ca 0.43 -1.20 -0.31 0.00 -0.11 0.00 0.00 54.58 53.39 2fh0 n ASN 106 Cb 0.47 0.89 -0.15 0.00 1.24 0.00 0.00 39.78 42.22 2fh0 n ASN 106 CO 0.00 0.00 0.00 -0.94 -2.11 0.00 0.00 177.26 174.21 2fh0 s SER 107 N -2.06 4.59 0.19 1.20 1.04 -1.26 -5.11 113.70 112.29 2fh0 s SER 107 Ca 0.11 -2.23 0.08 0.00 0.48 0.00 0.00 55.95 54.38 2fh0 s SER 107 Cb -0.01 -1.53 -0.04 0.00 0.10 0.00 0.00 66.02 64.55 2fh0 s SER 107 CO 0.01 -0.36 0.01 0.00 0.98 0.00 0.00 173.24 173.88 2fh0 s GLN 108 N 0.80 2.42 1.02 4.02 -2.07 -1.26 -5.13 119.66 119.45 2fh0 s GLN 108 Ca 0.12 -1.14 -0.14 0.00 -1.82 0.00 0.00 55.36 52.37 2fh0 s GLN 108 Cb -0.20 -2.34 0.20 0.00 -1.09 0.00 0.00 33.01 29.57 2fh0 s GLN 108 CO -0.09 0.44 1.14 0.54 -1.32 0.00 0.00 175.29 176.00 2fh0 s ASN 109 N -3.08 2.54 -0.02 12.60 4.22 -1.26 -5.08 114.94 124.86 2fh0 s ASN 109 Ca 0.28 0.87 0.07 0.00 -2.14 0.00 0.00 52.86 51.94 2fh0 s ASN 109 Cb -0.09 -1.34 -0.02 0.00 1.28 0.00 0.00 41.25 41.09 2fh0 s ASN 109 CO 0.19 -3.15 -0.22 0.20 -2.04 0.00 0.00 177.10 172.08 2fh0 s ASN 110 N -3.91 2.64 0.42 3.54 -0.87 -1.26 -4.97 114.94 110.53 2fh0 s ASN 110 Ca 0.67 -0.41 0.00 0.00 -1.57 0.00 0.00 52.86 51.55 2fh0 s ASN 110 Cb -0.14 -0.38 0.00 0.00 -0.02 0.00 0.00 41.25 40.71 2fh0 s ASN 110 CO 0.55 0.26 0.00 -0.24 -2.57 0.00 0.00 177.10 175.10 2fh0 n SER 111 N 2.63 -3.40 -0.06 -1.22 2.88 -1.26 -4.98 113.62 108.21 2fh0 n SER 111 Ca -0.16 0.79 -0.05 0.00 -1.33 0.00 0.00 58.87 58.12 2fh0 n SER 111 Cb 0.52 3.22 -0.12 0.00 -0.75 0.00 0.00 64.21 67.08 2fh0 n SER 111 CO 0.00 0.00 0.00 0.29 -1.23 0.00 0.00 175.04 174.10 2fh0 n LYS 112 N -3.39 1.39 -0.04 -1.46 4.76 -1.26 -4.48 118.16 113.69 2fh0 n LYS 112 Ca 0.00 -0.03 0.15 0.00 -2.87 0.00 0.00 58.31 55.56 2fh0 n LYS 112 Cb 0.00 -1.38 0.58 0.00 -1.84 0.00 0.00 35.03 32.38 2fh0 n LYS 112 CO 0.00 0.00 0.00 0.82 -1.37 0.00 0.00 177.40 176.85 2fh0 h ILE 113 N 0.00 0.84 0.12 -0.18 2.04 -1.93 -3.04 117.51 115.35 2fh0 h ILE 113 Ca -0.34 -0.08 -0.00 0.00 1.00 0.00 0.00 64.86 65.43 2fh0 h ILE 113 Cb 1.74 0.58 -0.00 0.00 -0.74 0.00 0.00 36.82 38.40 2fh0 h ILE 113 CO 0.02 0.04 -0.08 0.40 0.00 0.00 0.00 178.15 178.53 2fh0 h ILE 114 N 0.24 0.00 0.00 -0.67 2.04 -1.95 -3.44 117.51 113.72 2fh0 h ILE 114 Ca 0.26 0.00 0.00 0.00 1.00 0.00 0.00 64.86 66.12 2fh0 h ILE 114 Cb 0.70 0.00 0.00 0.00 -0.74 0.00 0.00 36.82 36.78 2fh0 h ILE 114 CO -0.05 0.00 0.00 0.33 0.00 0.00 0.00 178.15 178.43 2fh0 n PHE 115 N -2.71 0.00 0.22 1.37 7.35 -1.15 -5.15 117.46 117.40 2fh0 n PHE 115 Ca -0.02 0.00 0.03 0.00 -0.76 0.00 0.00 57.45 56.69 2fh0 n PHE 115 Cb 0.08 0.00 0.02 0.00 0.35 0.00 0.00 39.48 39.93 2fh0 n PHE 115 CO 0.00 0.00 0.00 0.39 -0.76 0.00 0.00 176.76 176.39