#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2yr2 n GLU 6 N 0.00 2.46 -0.14 1.20 2.13 -1.26 -4.73 120.64 120.31 2yr2 n GLU 6 Ca 0.00 -1.34 -0.09 0.00 0.66 0.00 0.00 57.16 56.40 2yr2 n GLU 6 Cb 0.00 -0.92 -0.00 0.00 0.27 0.00 0.00 31.44 30.79 2yr2 n GLU 6 CO 0.00 0.00 0.00 -0.91 -0.41 0.00 0.00 177.13 175.81 2yr2 h ASN 7 N 0.00 0.56 -0.36 4.31 2.35 -2.05 -0.76 115.58 119.62 2yr2 h ASN 7 Ca 0.00 -0.14 -0.02 0.00 -0.55 0.00 0.00 56.30 55.59 2yr2 h ASN 7 Cb 0.59 -0.14 -0.02 0.00 0.05 0.00 0.00 38.32 38.80 2yr2 h ASN 7 CO 0.00 0.55 0.15 0.03 -1.65 0.00 0.00 177.43 176.51 2yr2 h ARG 8 N 0.53 0.54 -0.27 0.81 3.08 -2.00 0.83 114.38 117.90 2yr2 h ARG 8 Ca 0.14 -0.09 -0.08 0.00 0.07 0.00 0.00 59.98 60.02 2yr2 h ARG 8 Cb 0.15 -0.09 -0.01 0.00 0.08 0.00 0.00 29.97 30.09 2yr2 h ARG 8 CO -0.02 0.51 -0.19 0.97 -1.07 0.00 0.00 179.97 180.18 2yr2 h ILE 9 N 0.44 1.25 0.00 2.04 -0.00 -1.91 -2.25 117.51 117.08 2yr2 h ILE 9 Ca 0.12 -1.14 -0.07 0.00 -0.00 0.00 0.00 64.86 63.78 2yr2 h ILE 9 Cb 0.17 1.25 -0.01 0.00 -0.00 0.00 0.00 36.82 38.23 2yr2 h ILE 9 CO -0.01 0.37 -0.32 -0.61 -0.00 0.00 0.00 178.15 177.57 2yr2 h GLN 10 N 0.44 0.00 -0.25 2.19 4.15 -0.58 -1.74 115.11 119.32 2yr2 h GLN 10 Ca 0.07 0.00 -0.06 0.00 0.77 0.00 0.00 58.65 59.43 2yr2 h GLN 10 Cb 0.58 0.00 -0.01 0.00 0.21 0.00 0.00 27.48 28.26 2yr2 h GLN 10 CO 0.04 0.32 -0.09 0.82 -1.93 0.00 0.00 178.83 177.99 2yr2 h ILE 11 N 0.00 1.29 -0.40 2.39 2.04 -0.24 -2.00 117.51 120.59 2yr2 h ILE 11 Ca -0.00 -1.13 -0.13 0.00 1.00 0.00 0.00 64.86 64.59 2yr2 h ILE 11 Cb 0.63 1.51 -0.01 0.00 -0.74 0.00 0.00 36.82 38.20 2yr2 h ILE 11 CO 0.04 0.35 -0.27 0.24 0.00 0.00 0.00 178.15 178.51 2yr2 h MET 12 N 0.24 0.85 0.00 2.37 2.86 -1.26 -1.47 114.93 118.53 2yr2 h MET 12 Ca 0.06 -0.38 -0.09 0.00 -2.06 0.00 0.00 59.70 57.24 2yr2 h MET 12 Cb 0.57 -0.02 -0.01 0.00 0.06 0.00 0.00 31.60 32.20 2yr2 h MET 12 CO 0.03 1.02 -0.41 0.66 1.06 0.00 0.00 176.91 179.27 2yr2 h SER 13 N 0.73 0.00 -0.06 1.22 4.64 -1.30 -2.16 113.55 116.62 2yr2 h SER 13 Ca 0.09 0.00 -0.22 0.00 -0.47 0.00 0.00 61.79 61.18 2yr2 h SER 13 Cb 0.82 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 62.92 2yr2 h SER 13 CO 0.07 0.41 -0.80 0.74 -0.87 0.00 0.00 176.83 176.37 2yr2 h THR 14 N 0.00 1.29 -0.75 2.95 2.02 -1.17 -1.63 112.91 115.63 2yr2 h THR 14 Ca -0.00 -2.04 -0.03 0.00 0.77 0.00 0.00 66.41 65.11 2yr2 h THR 14 Cb 1.05 2.05 -0.04 0.00 -1.74 0.00 0.00 68.15 69.48 2yr2 h THR 14 CO 0.05 0.64 0.36 0.40 0.37 0.00 0.00 175.52 177.34 2yr2 h ILE 15 N 0.48 1.24 -0.41 3.11 2.04 -1.13 -0.25 117.51 122.59 2yr2 h ILE 15 Ca -0.06 -0.66 -0.08 0.00 1.00 0.00 0.00 64.86 65.06 2yr2 h ILE 15 Cb 1.43 0.27 -0.01 0.00 -0.74 0.00 0.00 36.82 37.77 2yr2 h ILE 15 CO 0.16 0.28 -0.06 0.00 0.00 0.00 0.00 178.15 178.53 2yr2 h ALA 16 N 1.33 0.56 -0.59 1.87 0.00 -1.25 -1.09 119.26 120.09 2yr2 h ALA 16 Ca 0.26 -0.30 -0.04 0.00 0.00 0.00 0.00 54.91 54.83 2yr2 h ALA 16 Cb 0.10 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 17.72 2yr2 h ALA 16 CO -0.03 0.39 0.20 0.87 0.00 0.00 0.00 179.25 180.68 2yr2 h LYS 17 N 0.58 0.91 -0.48 0.00 1.57 -0.91 -1.75 116.57 116.49 2yr2 h LYS 17 Ca 0.11 -0.19 -0.04 0.00 -1.87 0.00 0.00 60.65 58.66 2yr2 h LYS 17 Cb 0.57 -0.14 -0.02 0.00 0.08 0.00 0.00 32.23 32.72 2yr2 h LYS 17 CO 0.03 0.81 0.13 0.82 -0.57 0.00 0.00 179.45 180.67 2yr2 h ILE 18 N 0.84 1.23 -0.35 1.86 2.04 -0.97 -2.37 117.51 119.78 2yr2 h ILE 18 Ca 0.19 -0.80 0.02 0.00 1.00 0.00 0.00 64.86 65.28 2yr2 h ILE 18 Cb 0.26 0.84 -0.03 0.00 -0.74 0.00 0.00 36.82 37.16 2yr2 h ILE 18 CO -0.01 0.29 0.19 0.22 0.00 0.00 0.00 178.15 178.84 2yr2 h TYR 19 N 0.65 0.36 -0.36 1.37 3.20 -0.89 0.20 116.97 121.49 2yr2 h TYR 19 Ca 0.15 0.01 -0.01 0.00 3.14 0.00 0.00 58.73 62.02 2yr2 h TYR 19 Cb 0.30 -0.11 -0.02 0.00 1.54 0.00 0.00 36.73 38.44 2yr2 h TYR 19 CO 0.02 0.20 0.18 0.00 -1.64 0.00 0.00 178.16 176.92 2yr2 h ARG 20 N 0.39 0.51 -0.57 1.82 3.08 -1.24 0.07 114.38 118.45 2yr2 h ARG 20 Ca 0.14 -0.07 -0.03 0.00 0.07 0.00 0.00 59.98 60.09 2yr2 h ARG 20 Cb 0.02 -0.10 -0.03 0.00 0.08 0.00 0.00 29.97 29.95 2yr2 h ARG 20 CO -0.08 0.44 0.24 0.00 -1.07 0.00 0.00 179.97 179.51 2yr2 h ALA 21 N 1.04 0.74 -0.66 0.04 0.00 -1.16 -2.38 119.26 116.87 2yr2 h ALA 21 Ca 0.12 -0.15 -0.06 0.00 0.00 0.00 0.00 54.91 54.83 2yr2 h ALA 21 Cb 0.09 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 17.63 2yr2 h ALA 21 CO -0.02 0.33 0.19 0.52 0.00 0.00 0.00 179.25 180.27 2yr2 h MET 22 N 0.78 1.03 -0.74 0.00 2.86 -0.36 -1.49 114.93 117.00 2yr2 h MET 22 Ca 0.19 -0.22 -0.02 0.00 -2.06 0.00 0.00 59.70 57.60 2yr2 h MET 22 Cb 0.17 -0.15 -0.03 0.00 0.06 0.00 0.00 31.60 31.65 2yr2 h MET 22 CO -0.02 0.89 0.40 0.77 1.06 0.00 0.00 176.91 180.02 2yr2 h SER 23 N 0.99 0.93 -0.21 1.22 0.02 -0.75 -0.01 113.55 115.75 2yr2 h SER 23 Ca 0.21 -0.10 -0.04 0.00 -0.84 0.00 0.00 61.79 61.02 2yr2 h SER 23 Cb 0.31 -0.24 -0.01 0.00 0.14 0.00 0.00 62.40 62.60 2yr2 h SER 23 CO -0.00 0.77 -0.03 -0.09 -1.14 0.00 0.00 176.83 176.33 2yr2 h ARG 24 N 1.03 0.39 -0.32 3.45 2.43 -1.16 -1.36 114.38 118.84 2yr2 h ARG 24 Ca 0.26 -0.14 -0.12 0.00 -0.81 0.00 0.00 59.98 59.17 2yr2 h ARG 24 Cb 0.04 -0.03 -0.01 0.00 -0.42 0.00 0.00 29.97 29.55 2yr2 h ARG 24 CO -0.04 0.62 -0.29 1.49 -1.51 0.00 0.00 179.97 180.24 2yr2 h GLU 25 N 0.13 0.66 -0.22 0.20 4.57 -1.15 -2.32 114.58 116.45 2yr2 h GLU 25 Ca 0.06 -0.28 -0.15 0.00 -1.18 0.00 0.00 59.36 57.80 2yr2 h GLU 25 Cb 0.46 -0.02 -0.01 0.00 -0.16 0.00 0.00 28.75 29.02 2yr2 h GLU 25 CO 0.02 0.87 -0.50 -0.07 -1.18 0.00 0.00 179.01 178.15 2yr2 h LEU 26 N 0.57 0.66 -0.82 1.64 3.38 -0.99 0.01 115.31 119.76 2yr2 h LEU 26 Ca 0.07 -0.33 -0.00 0.00 0.09 0.00 0.00 57.88 57.71 2yr2 h LEU 26 Cb 0.78 -0.19 -0.04 0.00 0.09 0.00 0.00 40.66 41.30 2yr2 h LEU 26 CO 0.06 1.05 0.50 0.78 0.09 0.00 0.00 178.44 180.92 2yr2 h ASN 27 N 0.47 0.98 0.42 -0.43 -0.26 -1.10 0.11 115.58 115.78 2yr2 h ASN 27 Ca 0.02 -0.06 -0.02 0.00 -0.56 0.00 0.00 56.30 55.68 2yr2 h ASN 27 Cb 1.04 -0.25 0.00 0.00 -1.06 0.00 0.00 38.32 38.06 2yr2 h ASN 27 CO 0.10 0.75 -0.20 -0.09 -1.06 0.00 0.00 177.43 176.93 2yr2 h ARG 28 N 1.13 -0.54 -0.38 0.81 2.43 -1.11 -3.05 114.38 113.67 2yr2 h ARG 28 Ca 0.30 0.04 -0.04 0.00 -0.81 0.00 0.00 59.98 59.47 2yr2 h ARG 28 Cb -0.06 0.12 -0.02 0.00 -0.42 0.00 0.00 29.97 29.59 2yr2 h ARG 28 CO -0.06 -0.23 0.09 0.00 -1.51 0.00 0.00 179.97 178.26 2yr2 h ARG 29 N -0.92 0.57 0.00 0.20 3.08 -0.91 -2.28 114.38 114.12 2yr2 h ARG 29 Ca -0.06 -0.10 0.00 0.00 0.07 0.00 0.00 59.98 59.90 2yr2 h ARG 29 Cb 0.56 -0.10 0.00 0.00 0.08 0.00 0.00 29.97 30.51 2yr2 h ARG 29 CO 0.09 0.53 0.00 1.28 -1.07 0.00 0.00 179.97 180.80 2yr2 n LEU 30 N -4.33 0.61 0.28 3.04 4.77 0.39 -2.90 117.00 118.86 2yr2 n LEU 30 Ca 0.02 0.61 0.13 0.00 -0.03 0.00 0.00 56.01 56.74 2yr2 n LEU 30 Cb 0.19 -0.48 0.81 0.00 -2.33 0.00 0.00 43.42 41.62 2yr2 n LEU 30 CO 0.38 -0.36 1.07 1.23 -1.33 0.00 0.00 177.39 178.38 2yr2 h GLY 31 N 3.25 0.00 1.46 -0.72 0.00 -1.29 0.41 103.07 106.18 2yr2 h GLY 31 Ca 0.00 0.00 0.08 0.00 0.00 0.00 0.00 47.33 47.41 2yr2 h GLY 31 CO 0.00 0.00 0.19 -2.09 0.00 0.00 0.00 176.54 174.64 2yr2 h GLU 32 N 0.00 0.00 -0.60 4.80 4.57 -1.69 0.30 114.58 121.95 2yr2 h GLU 32 Ca -0.00 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.18 2yr2 h GLU 32 Cb 0.08 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 28.67 2yr2 h GLU 32 CO 0.00 0.00 0.00 1.28 -1.18 0.00 0.00 179.01 179.11 2yr2 n LEU 33 N -4.41 3.86 -3.52 1.64 4.77 0.08 -4.95 117.00 114.47 2yr2 n LEU 33 Ca 0.03 -2.13 -0.20 0.00 -0.03 0.00 0.00 56.01 53.68 2yr2 n LEU 33 Cb 0.35 -0.45 0.08 0.00 -2.33 0.00 0.00 43.42 41.08 2yr2 n LEU 33 CO 0.35 0.88 0.14 0.59 -1.33 0.00 0.00 177.39 178.02 2yr2 n ASN 34 N 1.17 -3.51 -4.00 -1.43 5.03 0.10 -5.01 115.26 107.61 2yr2 n ASN 34 Ca 0.21 -0.61 -0.16 0.00 0.87 0.00 0.00 54.58 54.89 2yr2 n ASN 34 Cb 0.64 -4.98 -0.14 0.00 -1.02 0.00 0.00 39.78 34.28 2yr2 n ASN 34 CO 0.00 0.00 0.00 -0.76 -1.83 0.00 0.00 177.26 174.67 2yr2 s LEU 35 N -6.73 2.05 0.59 3.41 1.43 -0.89 -4.99 118.68 113.55 2yr2 s LEU 35 Ca 0.22 -0.19 -0.00 0.00 -1.03 0.00 0.00 54.13 53.12 2yr2 s LEU 35 Cb -0.10 -0.33 0.05 0.00 0.03 0.00 0.00 46.19 45.84 2yr2 s LEU 35 CO 0.74 0.04 0.83 -0.94 0.23 0.00 0.00 176.35 177.25 2yr2 s SER 36 N -0.40 5.12 0.22 2.29 1.04 -1.26 -3.13 113.70 117.59 2yr2 s SER 36 Ca 0.01 0.03 -0.07 0.00 0.48 0.00 0.00 55.95 56.40 2yr2 s SER 36 Cb -0.04 -0.83 0.19 0.00 0.10 0.00 0.00 66.02 65.44 2yr2 s SER 36 CO -0.00 -1.28 1.78 0.22 0.98 0.00 0.00 173.24 174.94 2yr2 h TYR 37 N -0.08 1.17 -0.85 5.02 3.20 -1.85 -2.30 116.97 121.28 2yr2 h TYR 37 Ca -0.42 -0.10 -0.02 0.00 3.14 0.00 0.00 58.73 61.34 2yr2 h TYR 37 Cb 1.30 -0.35 -0.04 0.00 1.54 0.00 0.00 36.73 39.18 2yr2 h TYR 37 CO 0.32 0.90 0.46 1.25 -1.64 0.00 0.00 178.16 179.45 2yr2 h LEU 38 N 1.11 1.06 -0.67 2.82 5.85 -1.97 -0.63 115.31 122.88 2yr2 h LEU 38 Ca 0.25 -0.10 0.03 0.00 0.84 0.00 0.00 57.88 58.90 2yr2 h LEU 38 Cb 0.25 -0.27 -0.04 0.00 0.37 0.00 0.00 40.66 40.96 2yr2 h LEU 38 CO -0.02 0.86 0.41 0.44 -0.34 0.00 0.00 178.44 179.79 2yr2 h ASP 39 N 1.18 0.66 -0.09 1.25 3.32 -1.82 0.06 116.42 120.98 2yr2 h ASP 39 Ca 0.30 0.01 0.01 0.00 0.02 0.00 0.00 57.03 57.37 2yr2 h ASP 39 Cb 0.04 -0.13 -0.01 0.00 0.22 0.00 0.00 39.33 39.44 2yr2 h ASP 39 CO -0.05 0.45 -0.00 0.15 -1.72 0.00 0.00 179.24 178.07 2yr2 h PHE 40 N 0.79 -0.01 -0.87 4.55 3.57 -0.83 -1.68 116.94 122.45 2yr2 h PHE 40 Ca 0.27 0.01 0.04 0.00 3.53 0.00 0.00 57.97 61.82 2yr2 h PHE 40 Cb 0.05 0.02 -0.05 0.00 2.79 0.00 0.00 35.95 38.75 2yr2 h PHE 40 CO -0.05 -0.02 0.57 -0.07 -2.23 0.00 0.00 178.31 176.52 2yr2 h LEU 41 N 0.03 0.94 -0.88 0.59 3.38 -0.37 0.08 115.31 119.08 2yr2 h LEU 41 Ca 0.04 -0.01 -0.07 0.00 0.09 0.00 0.00 57.88 57.94 2yr2 h LEU 41 Cb 0.05 -0.21 -0.03 0.00 0.09 0.00 0.00 40.66 40.56 2yr2 h LEU 41 CO -0.08 0.64 0.11 0.58 0.09 0.00 0.00 178.44 179.78 2yr2 h VAL 42 N 1.08 1.25 -0.51 1.22 2.07 -0.53 -0.80 116.25 120.03 2yr2 h VAL 42 Ca 0.35 -0.94 -0.11 0.00 0.82 0.00 0.00 66.70 66.82 2yr2 h VAL 42 Cb 0.03 0.68 -0.02 0.00 -1.52 0.00 0.00 31.29 30.47 2yr2 h VAL 42 CO -0.10 0.35 -0.12 -0.07 0.02 0.00 0.00 177.57 177.64 2yr2 h LEU 43 N 0.89 1.00 -0.32 2.57 3.38 -0.35 -0.93 115.31 121.55 2yr2 h LEU 43 Ca 0.19 -0.36 -0.00 0.00 0.09 0.00 0.00 57.88 57.79 2yr2 h LEU 43 Cb 0.37 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 40.84 2yr2 h LEU 43 CO 0.01 1.13 0.19 -0.09 0.09 0.00 0.00 178.44 179.76 2yr2 h ARG 44 N 0.86 0.44 -0.30 1.13 2.43 -0.72 0.91 114.38 119.12 2yr2 h ARG 44 Ca 0.13 -0.04 -0.02 0.00 -0.81 0.00 0.00 59.98 59.24 2yr2 h ARG 44 Cb 0.69 -0.09 -0.01 0.00 -0.42 0.00 0.00 29.97 30.13 2yr2 h ARG 44 CO 0.05 0.34 0.12 0.00 -1.51 0.00 0.00 179.97 178.97 2yr2 h ALA 45 N 1.07 0.39 0.00 2.80 0.00 -0.97 -2.83 119.26 119.72 2yr2 h ALA 45 Ca 0.11 -0.13 -0.02 0.00 0.00 0.00 0.00 54.91 54.88 2yr2 h ALA 45 Cb 0.02 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 17.69 2yr2 h ALA 45 CO -0.02 -0.01 -0.09 1.79 0.00 0.00 0.00 179.25 180.92 2yr2 h THR 46 N 0.34 0.21 -0.31 0.00 1.35 -1.06 -2.21 112.91 111.23 2yr2 h THR 46 Ca 0.10 -0.85 -0.10 0.00 -0.55 0.00 0.00 66.41 65.01 2yr2 h THR 46 Cb 0.19 1.71 -0.01 0.00 -1.73 0.00 0.00 68.15 68.30 2yr2 h THR 46 CO -0.01 0.09 -0.24 -1.28 -0.25 0.00 0.00 175.52 173.83 2yr2 h SER 47 N 0.00 0.61 0.80 5.36 0.87 -0.58 -1.95 113.55 118.66 2yr2 h SER 47 Ca -0.00 -0.21 -0.04 0.00 -1.23 0.00 0.00 61.79 60.31 2yr2 h SER 47 Cb 0.70 -0.17 -0.01 0.00 -0.44 0.00 0.00 62.40 62.49 2yr2 h SER 47 CO 0.01 0.84 -0.17 -0.78 -0.53 0.00 0.00 176.83 176.19 2yr2 h ASP 48 N 0.53 0.00 -1.05 6.23 3.58 -1.17 -3.48 116.42 121.06 2yr2 h ASP 48 Ca 0.08 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.53 2yr2 h ASP 48 Cb 0.69 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.74 2yr2 h ASP 48 CO 0.05 0.17 0.00 0.61 -2.88 0.00 0.00 179.24 177.20 2yr2 n GLY 49 N -0.06 3.44 3.74 -0.78 0.00 -0.73 -5.12 105.19 105.69 2yr2 n GLY 49 Ca -0.00 -1.05 -0.42 0.00 0.00 0.00 0.00 46.02 44.55 2yr2 n GLY 49 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 2yr2 n PRO 50 N -1.26 2.42 -4.19 1.61 -0.02 -1.26 -3.97 135.00 128.33 2yr2 n PRO 50 Ca 0.00 0.85 -0.15 0.00 -2.02 0.00 0.00 63.50 62.18 2yr2 n PRO 50 Cb 0.00 -2.53 -0.11 0.00 -0.02 0.00 0.00 33.50 30.84 2yr2 n PRO 50 CO 0.00 0.00 0.00 0.15 1.98 0.00 0.00 175.50 177.63 2yr2 s LYS 51 N -2.05 0.88 0.50 -0.52 -0.14 -0.91 -4.89 119.74 112.61 2yr2 s LYS 51 Ca 0.55 -1.17 -0.05 0.00 -1.36 0.00 0.00 55.97 53.94 2yr2 s LYS 51 Cb -0.51 -0.61 -0.03 0.00 -1.68 0.00 0.00 37.83 35.00 2yr2 s LYS 51 CO 0.63 0.10 0.81 0.95 -0.76 0.00 0.00 175.35 177.08 2yr2 s THR 52 N -2.35 4.71 0.33 2.17 -4.23 -1.26 0.64 115.64 115.65 2yr2 s THR 52 Ca 0.06 0.19 0.07 0.00 -1.18 0.00 0.00 61.69 60.83 2yr2 s THR 52 Cb -0.03 -3.80 0.09 0.00 1.34 0.00 0.00 72.50 70.09 2yr2 s THR 52 CO 0.01 -0.80 1.79 0.24 -0.54 0.00 0.00 174.62 175.31 2yr2 h MET 53 N 0.14 0.28 -0.61 3.99 2.86 -1.96 -2.57 114.93 117.06 2yr2 h MET 53 Ca -0.47 -0.10 -0.02 0.00 -2.06 0.00 0.00 59.70 57.06 2yr2 h MET 53 Cb 1.21 -0.02 -0.03 0.00 0.06 0.00 0.00 31.60 32.82 2yr2 h MET 53 CO 0.61 0.54 0.31 0.00 1.06 0.00 0.00 176.91 179.44 2yr2 h ALA 54 N 1.47 0.78 -0.18 6.32 0.00 -1.95 -1.47 119.26 124.24 2yr2 h ALA 54 Ca 0.04 -0.12 0.02 0.00 0.00 0.00 0.00 54.91 54.85 2yr2 h ALA 54 Cb 0.62 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 18.15 2yr2 h ALA 54 CO 0.04 0.32 0.04 -0.92 0.00 0.00 0.00 179.25 178.73 2yr2 h TYR 55 N 0.83 0.07 -0.75 0.00 5.03 -1.85 -2.42 116.97 117.87 2yr2 h TYR 55 Ca 0.21 0.01 0.00 0.00 2.58 0.00 0.00 58.73 61.53 2yr2 h TYR 55 Cb 0.08 -0.00 -0.04 0.00 1.55 0.00 0.00 36.73 38.32 2yr2 h TYR 55 CO -0.01 0.03 0.48 -0.07 -1.32 0.00 0.00 178.16 177.27 2yr2 h LEU 56 N 0.11 0.88 -0.49 2.82 3.38 -1.18 0.11 115.31 120.94 2yr2 h LEU 56 Ca 0.08 -0.04 -0.03 0.00 0.09 0.00 0.00 57.88 57.97 2yr2 h LEU 56 Cb 0.07 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 40.57 2yr2 h LEU 56 CO -0.10 0.66 0.18 0.00 0.09 0.00 0.00 178.44 179.27 2yr2 h ALA 57 N 1.26 0.64 -0.18 1.53 0.00 -1.14 -2.34 119.26 119.02 2yr2 h ALA 57 Ca 0.27 -0.16 -0.10 0.00 0.00 0.00 0.00 54.91 54.92 2yr2 h ALA 57 Cb -0.08 -0.19 -0.00 0.00 0.00 0.00 0.00 17.79 17.52 2yr2 h ALA 57 CO -0.06 0.26 -0.27 -0.97 0.00 0.00 0.00 179.25 178.21 2yr2 h ASN 58 N 0.65 0.55 -0.50 0.00 -0.73 -1.20 -0.75 115.58 113.60 2yr2 h ASN 58 Ca 0.16 -0.52 0.05 0.00 1.87 0.00 0.00 56.30 57.86 2yr2 h ASN 58 Cb 0.22 -0.16 -0.05 0.00 0.27 0.00 0.00 38.32 38.60 2yr2 h ASN 58 CO -0.01 0.97 0.25 -0.09 -0.37 0.00 0.00 177.43 178.17 2yr2 h ARG 59 N 0.16 0.47 -0.62 6.67 9.65 -0.74 -2.77 114.38 127.20 2yr2 h ARG 59 Ca 0.02 -0.03 0.00 0.00 -1.10 0.00 0.00 59.98 58.87 2yr2 h ARG 59 Cb 0.85 -0.11 0.00 0.00 -1.39 0.00 0.00 29.97 29.32 2yr2 h ARG 59 CO 0.06 0.31 0.00 0.66 2.80 0.00 0.00 179.97 183.80 2yr2 n TYR 60 N -4.90 0.82 -3.74 2.20 4.01 -0.89 -4.98 117.16 109.68 2yr2 n TYR 60 Ca 0.04 -0.41 -0.22 0.00 -0.16 0.00 0.00 57.90 57.15 2yr2 n TYR 60 Cb 0.14 0.00 0.02 0.00 -0.31 0.00 0.00 39.34 39.20 2yr2 n TYR 60 CO 0.00 0.00 0.00 0.34 -0.46 0.00 0.00 176.86 176.74 2yr2 n PHE 61 N 1.52 -1.86 -4.40 -0.72 7.35 -0.40 -5.00 117.46 113.95 2yr2 n PHE 61 Ca 0.22 0.80 -0.20 0.00 -0.76 0.00 0.00 57.45 57.52 2yr2 n PHE 61 Cb 0.59 -4.21 -0.10 0.00 0.35 0.00 0.00 39.48 36.10 2yr2 n PHE 61 CO 0.00 0.00 0.00 0.14 -0.76 0.00 0.00 176.76 176.14 2yr2 s VAL 62 N -3.72 1.07 0.82 -2.13 -7.23 -0.56 -5.05 120.40 103.61 2yr2 s VAL 62 Ca 0.03 -2.02 -0.11 0.00 -1.81 0.00 0.00 61.98 58.07 2yr2 s VAL 62 Cb -0.01 -2.64 0.08 0.00 0.56 0.00 0.00 36.38 34.37 2yr2 s VAL 62 CO 0.83 -0.10 1.09 0.42 -0.31 0.00 0.00 175.10 177.04 2yr2 s THR 63 N -3.39 3.01 0.32 5.32 -4.23 -1.26 -4.56 115.64 110.85 2yr2 s THR 63 Ca 0.34 0.33 0.03 0.00 -1.18 0.00 0.00 61.69 61.22 2yr2 s THR 63 Cb 0.08 -2.99 0.14 0.00 1.34 0.00 0.00 72.50 71.07 2yr2 s THR 63 CO 0.13 -0.43 1.84 1.56 -0.54 0.00 0.00 174.62 177.18 2yr2 h GLN 64 N -1.20 0.55 -0.61 3.99 1.08 -1.95 -2.33 115.11 114.64 2yr2 h GLN 64 Ca -0.47 -0.13 -0.03 0.00 -1.45 0.00 0.00 58.65 56.57 2yr2 h GLN 64 Cb 1.27 -0.07 -0.03 0.00 -0.05 0.00 0.00 27.48 28.60 2yr2 h GLN 64 CO 0.57 0.60 0.28 0.77 -0.95 0.00 0.00 178.83 180.10 2yr2 h SER 65 N 0.52 0.78 -0.21 1.46 0.02 -1.99 -0.01 113.55 114.12 2yr2 h SER 65 Ca 0.10 -0.09 -0.01 0.00 -0.84 0.00 0.00 61.79 60.96 2yr2 h SER 65 Cb 0.40 -0.20 -0.01 0.00 0.14 0.00 0.00 62.40 62.73 2yr2 h SER 65 CO 0.02 0.68 0.11 0.00 -1.14 0.00 0.00 176.83 176.50 2yr2 h ALA 66 N 1.44 0.27 -0.29 3.77 0.00 -1.79 -1.23 119.26 121.44 2yr2 h ALA 66 Ca 0.21 -0.07 -0.01 0.00 0.00 0.00 0.00 54.91 55.04 2yr2 h ALA 66 Cb 0.12 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.81 2yr2 h ALA 66 CO -0.03 -0.19 0.13 0.82 0.00 0.00 0.00 179.25 179.99 2yr2 h ILE 67 N 0.23 1.16 -0.63 0.00 1.08 -1.26 0.31 117.51 118.39 2yr2 h ILE 67 Ca 0.07 -0.48 0.05 0.00 -0.39 0.00 0.00 64.86 64.12 2yr2 h ILE 67 Cb 0.08 0.95 -0.05 0.00 -3.07 0.00 0.00 36.82 34.73 2yr2 h ILE 67 CO -0.01 0.17 0.35 0.74 -0.69 0.00 0.00 178.15 178.71 2yr2 h THR 68 N 0.32 0.97 -0.49 -0.27 2.02 -0.89 0.37 112.91 114.94 2yr2 h THR 68 Ca 0.10 -0.22 -0.07 0.00 0.77 0.00 0.00 66.41 66.98 2yr2 h THR 68 Cb 0.15 0.26 -0.02 0.00 -1.74 0.00 0.00 68.15 66.80 2yr2 h THR 68 CO -0.01 0.12 0.02 0.00 0.37 0.00 0.00 175.52 176.02 2yr2 h ALA 69 N 1.33 0.66 -0.23 6.16 0.00 -0.95 -1.10 119.26 125.13 2yr2 h ALA 69 Ca 0.28 -0.27 -0.02 0.00 0.00 0.00 0.00 54.91 54.91 2yr2 h ALA 69 Cb 0.17 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.77 2yr2 h ALA 69 CO -0.17 0.45 0.08 1.03 0.00 0.00 0.00 179.25 180.64 2yr2 h SER 70 N 0.72 0.32 -0.26 0.00 0.87 -0.22 -2.27 113.55 112.72 2yr2 h SER 70 Ca 0.14 -0.18 -0.01 0.00 -1.23 0.00 0.00 61.79 60.52 2yr2 h SER 70 Cb 0.48 -0.08 -0.01 0.00 -0.44 0.00 0.00 62.40 62.34 2yr2 h SER 70 CO 0.02 0.41 0.14 0.58 -0.53 0.00 0.00 176.83 177.46 2yr2 h VAL 71 N 0.21 1.12 -0.94 2.23 2.07 -0.19 -1.34 116.25 119.41 2yr2 h VAL 71 Ca 0.07 -0.33 0.11 0.00 0.82 0.00 0.00 66.70 67.38 2yr2 h VAL 71 Cb 0.20 0.87 -0.07 0.00 -1.52 0.00 0.00 31.29 30.76 2yr2 h VAL 71 CO -0.00 0.12 0.60 0.44 0.02 0.00 0.00 177.57 178.75 2yr2 h ASP 72 N 0.31 0.85 -0.32 0.57 3.32 -1.14 0.40 116.42 120.40 2yr2 h ASP 72 Ca 0.09 0.03 -0.13 0.00 0.02 0.00 0.00 57.03 57.04 2yr2 h ASP 72 Cb 0.07 -0.14 -0.00 0.00 0.22 0.00 0.00 39.33 39.47 2yr2 h ASP 72 CO -0.01 0.48 -0.32 0.50 -1.72 0.00 0.00 179.24 178.17 2yr2 h LYS 73 N 0.92 0.78 -0.22 3.56 3.64 -0.91 0.61 116.57 124.95 2yr2 h LYS 73 Ca 0.45 -0.41 -0.17 0.00 -1.27 0.00 0.00 60.65 59.26 2yr2 h LYS 73 Cb 0.46 0.01 -0.00 0.00 -0.41 0.00 0.00 32.23 32.29 2yr2 h LYS 73 CO -0.21 1.04 -0.54 -0.07 -2.27 0.00 0.00 179.45 177.39 2yr2 h LEU 74 N 0.55 0.71 -0.34 5.20 3.38 -0.55 -2.50 115.31 121.76 2yr2 h LEU 74 Ca 0.05 -0.38 -0.02 0.00 0.09 0.00 0.00 57.88 57.62 2yr2 h LEU 74 Cb 0.89 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 41.42 2yr2 h LEU 74 CO 0.08 1.11 0.13 -0.08 0.09 0.00 0.00 178.44 179.77 2yr2 h GLU 75 N 0.49 0.52 -0.52 1.13 4.81 -0.16 0.22 114.58 121.08 2yr2 h GLU 75 Ca 0.01 -0.10 0.04 0.00 -0.13 0.00 0.00 59.36 59.18 2yr2 h GLU 75 Cb 1.10 -0.08 -0.03 0.00 0.63 0.00 0.00 28.75 30.37 2yr2 h GLU 75 CO 0.11 0.53 0.34 1.49 -0.73 0.00 0.00 179.01 180.75 2yr2 h GLU 76 N 0.40 0.54 -0.38 1.92 4.57 -0.81 0.48 114.58 121.30 2yr2 h GLU 76 Ca 0.11 -0.03 0.00 0.00 -1.18 0.00 0.00 59.36 58.26 2yr2 h GLU 76 Cb 0.21 -0.12 0.00 0.00 -0.16 0.00 0.00 28.75 28.68 2yr2 h GLU 76 CO -0.01 0.36 0.00 -1.33 -1.18 0.00 0.00 179.01 176.85 2yr2 n MET 77 N -4.47 2.01 -2.21 1.92 2.81 -0.92 -4.94 117.12 111.32 2yr2 n MET 77 Ca 0.06 -1.55 -0.17 0.00 -1.81 0.00 0.00 57.70 54.23 2yr2 n MET 77 Cb 0.17 -1.37 -0.02 0.00 -0.71 0.00 0.00 33.22 31.29 2yr2 n MET 77 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 2yr2 n GLY 78 N 1.22 -0.07 0.06 3.03 0.00 0.16 -4.91 105.19 104.68 2yr2 n GLY 78 Ca 0.16 -0.20 0.06 0.00 0.00 0.00 0.00 46.02 46.04 2yr2 n GLY 78 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2yr2 n LEU 79 N -2.31 0.32 -4.08 0.99 4.77 0.66 -4.31 117.00 113.03 2yr2 n LEU 79 Ca -0.19 0.13 -0.09 0.00 -0.03 0.00 0.00 56.01 55.83 2yr2 n LEU 79 Cb 0.64 0.08 -0.09 0.00 -2.33 0.00 0.00 43.42 41.71 2yr2 n LEU 79 CO 0.23 0.06 -0.28 0.68 -1.33 0.00 0.00 177.39 176.76 2yr2 s VAL 80 N -3.23 0.15 0.01 4.08 -7.23 -1.22 -1.07 120.40 111.89 2yr2 s VAL 80 Ca -0.06 -1.76 -0.02 0.00 -1.81 0.00 0.00 61.98 58.33 2yr2 s VAL 80 Cb 0.11 -1.77 -0.01 0.00 0.56 0.00 0.00 36.38 35.27 2yr2 s VAL 80 CO 0.86 -0.66 0.03 0.68 -0.31 0.00 0.00 175.10 175.69 2yr2 s VAL 81 N -3.98 0.08 -0.18 1.32 -7.23 0.58 -4.16 120.40 106.82 2yr2 s VAL 81 Ca 0.15 -0.67 -0.16 0.00 -1.81 0.00 0.00 61.98 59.50 2yr2 s VAL 81 Cb 0.07 -0.26 -0.04 0.00 0.56 0.00 0.00 36.38 36.71 2yr2 s VAL 81 CO -0.04 -0.37 0.39 -0.13 -0.31 0.00 0.00 175.10 174.65 2yr2 s ARG 82 N -1.14 4.21 0.05 4.82 0.52 -1.26 -0.10 118.95 126.06 2yr2 s ARG 82 Ca -0.12 0.22 0.03 0.00 -0.52 0.00 0.00 55.73 55.34 2yr2 s ARG 82 Cb -0.07 -3.51 -0.02 0.00 0.52 0.00 0.00 34.95 31.87 2yr2 s ARG 82 CO -0.00 0.03 -0.11 0.14 0.02 0.00 0.00 175.30 175.38 2yr2 s VAL 83 N 1.09 0.80 0.26 3.52 -7.23 0.16 -4.94 120.40 114.06 2yr2 s VAL 83 Ca 0.20 -1.08 -0.27 0.00 -1.81 0.00 0.00 61.98 59.02 2yr2 s VAL 83 Cb -0.14 -0.80 -0.09 0.00 0.56 0.00 0.00 36.38 35.90 2yr2 s VAL 83 CO 0.08 -0.24 0.90 -0.13 -0.31 0.00 0.00 175.10 175.39 2yr2 s ARG 84 N -1.47 4.64 0.36 4.82 0.52 -1.26 0.48 118.95 127.04 2yr2 s ARG 84 Ca -0.05 1.31 -0.28 0.00 -0.52 0.00 0.00 55.73 56.19 2yr2 s ARG 84 Cb -0.09 -3.03 -0.10 0.00 0.52 0.00 0.00 34.95 32.25 2yr2 s ARG 84 CO 0.01 0.41 1.37 0.34 0.02 0.00 0.00 175.30 177.45 2yr2 s ASP 85 N -1.41 6.54 0.13 0.23 2.15 0.10 -4.87 116.67 119.55 2yr2 s ASP 85 Ca 0.44 2.82 -0.15 0.00 0.43 0.00 0.00 52.55 56.10 2yr2 s ASP 85 Cb -0.21 -2.65 -0.01 0.00 -0.30 0.00 0.00 42.92 39.74 2yr2 s ASP 85 CO 0.26 -0.71 1.59 0.03 -0.17 0.00 0.00 175.17 176.18 2yr2 h ARG 86 N 3.13 0.71 -0.28 4.34 2.47 -1.95 -2.92 114.38 119.89 2yr2 h ARG 86 Ca -0.50 -0.21 -0.09 0.00 -1.26 0.00 0.00 59.98 57.92 2yr2 h ARG 86 Cb 1.23 -0.07 -0.01 0.00 -1.65 0.00 0.00 29.97 29.47 2yr2 h ARG 86 CO 0.64 0.77 -0.21 0.93 0.56 0.00 0.00 179.97 182.66 2yr2 h GLU 87 N 0.56 0.51 -2.50 0.04 3.07 -1.99 -3.39 114.58 110.88 2yr2 h GLU 87 Ca 0.12 -0.18 -0.45 0.00 -0.50 0.00 0.00 59.36 58.35 2yr2 h GLU 87 Cb 0.43 -0.04 -0.37 0.00 -0.84 0.00 0.00 28.75 27.93 2yr2 h GLU 87 CO 0.01 0.70 -0.72 0.34 -1.40 0.00 0.00 179.01 177.94 2yr2 s ASP 88 N -6.79 2.69 0.08 1.42 -1.08 -1.22 -5.01 116.67 106.75 2yr2 s ASP 88 Ca -0.07 -1.11 0.05 0.00 -0.52 0.00 0.00 52.55 50.90 2yr2 s ASP 88 Cb 0.14 0.02 0.29 0.00 -1.46 0.00 0.00 42.92 41.91 2yr2 s ASP 88 CO 0.79 -0.41 1.15 0.54 0.52 0.00 0.00 175.17 177.76 2yr2 n ARG 89 N 5.20 0.03 0.18 4.34 5.12 -1.11 -1.78 116.66 128.65 2yr2 n ARG 89 Ca -0.03 0.52 0.05 0.00 -1.93 0.00 0.00 57.85 56.46 2yr2 n ARG 89 Cb 0.44 -1.62 0.27 0.00 -1.16 0.00 0.00 32.46 30.38 2yr2 n ARG 89 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 2yr2 h ARG 90 N 0.00 0.00 -6.08 5.56 3.08 -1.95 -3.42 114.38 111.56 2yr2 h ARG 90 Ca 0.00 0.00 -0.56 0.00 0.07 0.00 0.00 59.98 59.49 2yr2 h ARG 90 Cb 0.03 0.00 -0.05 0.00 0.08 0.00 0.00 29.97 30.02 2yr2 h ARG 90 CO 0.00 0.42 0.03 0.21 -1.07 0.00 0.00 179.97 179.56 2yr2 s LYS 91 N -3.47 4.38 -0.12 0.04 2.20 -0.73 -5.00 119.74 117.04 2yr2 s LYS 91 Ca 0.01 0.81 -0.04 0.00 -0.36 0.00 0.00 55.97 56.39 2yr2 s LYS 91 Cb 0.10 -3.38 -0.04 0.00 -1.51 0.00 0.00 37.83 33.01 2yr2 s LYS 91 CO 0.70 0.26 0.03 0.42 -0.36 0.00 0.00 175.35 176.41 2yr2 s ILE 92 N 0.13 4.58 0.21 5.43 1.09 -1.26 -0.72 121.20 130.67 2yr2 s ILE 92 Ca 0.34 -0.13 0.10 0.00 -1.10 0.00 0.00 60.65 59.85 2yr2 s ILE 92 Cb -0.18 -2.98 -0.04 0.00 -1.06 0.00 0.00 42.46 38.20 2yr2 s ILE 92 CO 0.18 0.57 -0.10 -0.76 -0.10 0.00 0.00 174.94 174.73 2yr2 s LEU 93 N -0.54 2.94 -0.26 2.97 1.43 0.18 -4.50 118.68 120.90 2yr2 s LEU 93 Ca 0.10 -0.66 -0.08 0.00 -1.03 0.00 0.00 54.13 52.46 2yr2 s LEU 93 Cb -0.12 -1.58 -0.03 0.00 0.03 0.00 0.00 46.19 44.49 2yr2 s LEU 93 CO 0.02 0.08 0.10 -0.63 0.23 0.00 0.00 176.35 176.15 2yr2 s ILE 94 N -1.91 4.58 -0.10 -0.59 -1.09 0.21 -0.67 121.20 121.63 2yr2 s ILE 94 Ca 0.26 -0.08 0.03 0.00 -2.23 0.00 0.00 60.65 58.63 2yr2 s ILE 94 Cb -0.08 -3.16 -0.01 0.00 -1.58 0.00 0.00 42.46 37.64 2yr2 s ILE 94 CO 0.16 0.31 -0.20 -0.70 -1.23 0.00 0.00 174.94 173.28 2yr2 s GLU 95 N 1.65 3.08 0.43 2.79 2.12 0.86 -2.14 118.70 127.50 2yr2 s GLU 95 Ca 0.07 -0.80 -0.23 0.00 0.36 0.00 0.00 54.97 54.36 2yr2 s GLU 95 Cb -0.15 -2.41 -0.08 0.00 0.26 0.00 0.00 34.13 31.75 2yr2 s GLU 95 CO 0.06 0.24 1.09 -1.50 -0.54 0.00 0.00 175.26 174.61 2yr2 s ILE 96 N 0.22 3.50 0.41 -3.70 2.07 -1.26 -0.31 121.20 122.13 2yr2 s ILE 96 Ca -0.13 1.11 0.07 0.00 -1.41 0.00 0.00 60.65 60.29 2yr2 s ILE 96 Cb -0.16 -3.55 0.01 0.00 0.13 0.00 0.00 42.46 38.88 2yr2 s ILE 96 CO 0.07 -0.03 0.57 0.42 -1.91 0.00 0.00 174.94 174.05 2yr2 s THR 97 N -1.66 3.25 0.32 4.00 -4.23 -0.23 -4.86 115.64 112.23 2yr2 s THR 97 Ca 0.61 -0.96 -0.00 0.00 -1.18 0.00 0.00 61.69 60.16 2yr2 s THR 97 Cb -0.24 -3.11 0.25 0.00 1.34 0.00 0.00 72.50 70.74 2yr2 s THR 97 CO 0.29 -0.05 1.97 -0.08 -0.54 0.00 0.00 174.62 176.21 2yr2 h GLU 98 N 0.64 0.94 -0.28 3.99 4.57 -1.89 0.03 114.58 122.57 2yr2 h GLU 98 Ca -0.42 -0.08 -0.11 0.00 -1.18 0.00 0.00 59.36 57.58 2yr2 h GLU 98 Cb 1.28 -0.20 -0.01 0.00 -0.16 0.00 0.00 28.75 29.65 2yr2 h GLU 98 CO 0.48 0.65 -0.28 -0.22 -1.18 0.00 0.00 179.01 178.46 2yr2 h LYS 99 N 0.95 0.57 -0.67 1.92 3.64 -1.90 -2.08 116.57 119.01 2yr2 h LYS 99 Ca 0.25 -0.23 -0.00 0.00 -1.27 0.00 0.00 60.65 59.39 2yr2 h LYS 99 Cb -0.05 -0.02 -0.03 0.00 -0.41 0.00 0.00 32.23 31.71 2yr2 h LYS 99 CO -0.05 0.79 0.40 0.78 -2.27 0.00 0.00 179.45 179.11 2yr2 h GLY 100 N 1.02 0.97 1.12 5.01 0.00 -1.16 -1.05 103.07 108.98 2yr2 h GLY 100 Ca 0.06 -0.40 -0.01 0.00 0.00 0.00 0.00 47.33 46.98 2yr2 h GLY 100 CO 0.06 0.39 0.49 1.41 0.00 0.00 0.00 176.54 178.89 2yr2 h LEU 101 N 0.91 1.03 -0.64 3.11 3.38 -0.79 0.13 115.31 122.43 2yr2 h LEU 101 Ca 0.24 -0.07 -0.09 0.00 0.09 0.00 0.00 57.88 58.05 2yr2 h LEU 101 Cb -0.03 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 40.44 2yr2 h LEU 101 CO -0.05 0.80 0.06 -0.33 0.09 0.00 0.00 178.44 179.02 2yr2 h GLU 102 N 1.17 1.09 -0.03 1.13 5.08 -0.72 -1.06 114.58 121.24 2yr2 h GLU 102 Ca 0.30 -0.31 -0.15 0.00 -1.00 0.00 0.00 59.36 58.20 2yr2 h GLU 102 Cb -0.02 -0.12 -0.02 0.00 0.50 0.00 0.00 28.75 29.10 2yr2 h GLU 102 CO -0.05 1.02 -0.68 1.15 -1.00 0.00 0.00 179.01 179.45 2yr2 h THR 103 N 1.00 1.45 -0.46 1.13 2.02 -0.78 -2.80 112.91 114.47 2yr2 h THR 103 Ca 0.19 -2.23 -0.04 0.00 0.77 0.00 0.00 66.41 65.10 2yr2 h THR 103 Cb 0.49 2.19 -0.02 0.00 -1.74 0.00 0.00 68.15 69.07 2yr2 h THR 103 CO 0.02 0.65 0.12 0.15 0.37 0.00 0.00 175.52 176.83 2yr2 h PHE 104 N 0.09 0.76 -0.35 3.16 3.57 -0.40 -0.58 116.94 123.17 2yr2 h PHE 104 Ca -0.01 -0.09 0.07 0.00 3.53 0.00 0.00 57.97 61.47 2yr2 h PHE 104 Cb 1.21 -0.22 -0.06 0.00 2.79 0.00 0.00 35.95 39.67 2yr2 h PHE 104 CO 0.01 0.69 -0.03 -0.91 -2.23 0.00 0.00 178.31 175.85 2yr2 h ASN 105 N 0.61 -0.20 -0.54 0.41 -0.26 -1.01 0.07 115.58 114.66 2yr2 h ASN 105 Ca 0.14 0.09 -0.01 0.00 -0.56 0.00 0.00 56.30 55.96 2yr2 h ASN 105 Cb 0.30 0.17 -0.03 0.00 -1.06 0.00 0.00 38.32 37.71 2yr2 h ASN 105 CO -0.00 -0.06 0.28 0.11 -1.06 0.00 0.00 177.43 176.70 2yr2 h LYS 106 N 0.07 0.76 -0.67 0.81 1.57 -1.23 -2.19 116.57 115.69 2yr2 h LYS 106 Ca 0.17 -0.10 0.00 0.00 -1.87 0.00 0.00 60.65 58.86 2yr2 h LYS 106 Cb 0.25 -0.14 -0.03 0.00 0.08 0.00 0.00 32.23 32.38 2yr2 h LYS 106 CO -0.31 0.61 0.44 0.78 -0.57 0.00 0.00 179.45 180.39 2yr2 h GLY 107 N 0.72 0.95 1.58 3.86 0.00 -0.39 -1.72 103.07 108.08 2yr2 h GLY 107 Ca 0.19 -0.36 -0.09 0.00 0.00 0.00 0.00 47.33 47.07 2yr2 h GLY 107 CO -0.03 0.35 -0.21 -2.22 0.00 0.00 0.00 176.54 174.43 2yr2 h ILE 108 N 0.91 1.25 -0.24 2.60 2.04 -0.48 -0.34 117.51 123.25 2yr2 h ILE 108 Ca 0.24 -1.19 -0.14 0.00 1.00 0.00 0.00 64.86 64.78 2yr2 h ILE 108 Cb -0.09 1.28 -0.01 0.00 -0.74 0.00 0.00 36.82 37.26 2yr2 h ILE 108 CO -0.05 0.38 -0.42 -0.33 0.00 0.00 0.00 178.15 177.73 2yr2 h GLU 109 N 0.44 0.59 -0.46 2.37 4.39 -0.75 0.36 114.58 121.53 2yr2 h GLU 109 Ca 0.07 -0.31 -0.04 0.00 0.34 0.00 0.00 59.36 59.42 2yr2 h GLU 109 Cb 0.61 0.01 -0.02 0.00 -0.10 0.00 0.00 28.75 29.25 2yr2 h GLU 109 CO 0.04 0.90 0.13 0.82 -1.16 0.00 0.00 179.01 179.75 2yr2 h ILE 110 N 0.48 1.23 -0.51 3.13 2.04 -1.01 -1.54 117.51 121.33 2yr2 h ILE 110 Ca 0.04 -0.77 -0.04 0.00 1.00 0.00 0.00 64.86 65.09 2yr2 h ILE 110 Cb 0.93 0.86 -0.02 0.00 -0.74 0.00 0.00 36.82 37.85 2yr2 h ILE 110 CO 0.08 0.28 0.18 0.22 0.00 0.00 0.00 178.15 178.91 2yr2 h TYR 111 N 0.60 0.81 -0.53 1.37 5.03 -0.69 -2.60 116.97 120.97 2yr2 h TYR 111 Ca 0.15 -0.07 0.03 0.00 2.58 0.00 0.00 58.73 61.41 2yr2 h TYR 111 Cb 0.29 -0.24 -0.04 0.00 1.55 0.00 0.00 36.73 38.29 2yr2 h TYR 111 CO 0.02 0.68 0.30 0.87 -1.32 0.00 0.00 178.16 178.71 2yr2 h LYS 112 N 0.69 0.58 -0.84 1.82 1.57 0.00 -1.76 116.57 118.64 2yr2 h LYS 112 Ca 0.17 -0.04 0.01 0.00 -1.87 0.00 0.00 60.65 58.92 2yr2 h LYS 112 Cb 0.24 -0.13 -0.04 0.00 0.08 0.00 0.00 32.23 32.38 2yr2 h LYS 112 CO -0.01 0.39 0.56 -0.22 -0.57 0.00 0.00 179.45 179.59 2yr2 h LYS 113 N 0.60 1.10 -0.28 3.15 3.64 -1.15 0.68 116.57 124.31 2yr2 h LYS 113 Ca 0.22 -0.07 -0.07 0.00 -1.27 0.00 0.00 60.65 59.46 2yr2 h LYS 113 Cb 0.05 -0.25 -0.01 0.00 -0.41 0.00 0.00 32.23 31.61 2yr2 h LYS 113 CO -0.11 0.73 -0.11 1.25 -2.27 0.00 0.00 179.45 178.94 2yr2 h LEU 114 N 1.14 0.59 -0.74 5.20 5.85 -1.16 -2.16 115.31 124.01 2yr2 h LEU 114 Ca 0.31 -0.39 -0.02 0.00 0.84 0.00 0.00 57.88 58.61 2yr2 h LEU 114 Cb -0.13 -0.16 -0.03 0.00 0.37 0.00 0.00 40.66 40.70 2yr2 h LEU 114 CO -0.07 0.85 0.38 0.00 -0.34 0.00 0.00 178.44 179.26 2yr2 h ALA 115 N 0.76 0.96 -0.71 1.25 0.00 -1.05 0.47 119.26 120.93 2yr2 h ALA 115 Ca 0.07 -0.14 -0.03 0.00 0.00 0.00 0.00 54.91 54.81 2yr2 h ALA 115 Cb 0.61 -0.30 -0.03 0.00 0.00 0.00 0.00 17.79 18.07 2yr2 h ALA 115 CO 0.04 0.50 0.31 -0.91 0.00 0.00 0.00 179.25 179.19 2yr2 h ASN 116 N 1.04 0.95 0.69 0.00 2.35 -0.80 -1.54 115.58 118.26 2yr2 h ASN 116 Ca 0.26 -0.12 -0.03 0.00 -0.55 0.00 0.00 56.30 55.85 2yr2 h ASN 116 Cb 0.09 -0.24 0.01 0.00 0.05 0.00 0.00 38.32 38.22 2yr2 h ASN 116 CO -0.04 0.82 -0.33 -0.33 -1.65 0.00 0.00 177.43 175.90 2yr2 h GLU 117 N 1.02 -0.90 0.00 0.81 5.08 -0.65 -2.00 114.58 117.95 2yr2 h GLU 117 Ca 0.24 0.06 -0.01 0.00 -1.00 0.00 0.00 59.36 58.66 2yr2 h GLU 117 Cb 0.15 0.20 -0.00 0.00 0.50 0.00 0.00 28.75 29.60 2yr2 h GLU 117 CO -0.03 -0.60 -0.05 -0.39 -1.00 0.00 0.00 179.01 176.95 2yr2 h VAL 118 N -1.12 0.37 -0.55 3.13 -1.51 -0.89 -1.69 116.25 113.99 2yr2 h VAL 118 Ca -0.10 -0.25 0.00 0.00 -1.23 0.00 0.00 66.70 65.12 2yr2 h VAL 118 Cb 0.71 1.18 0.00 0.00 -2.13 0.00 0.00 31.29 31.05 2yr2 h VAL 118 CO 0.16 0.05 0.00 0.35 -1.23 0.00 0.00 177.57 176.89 2yr2 n THR 119 N -3.52 0.92 -0.20 7.19 -2.24 -0.59 -4.66 114.28 111.18 2yr2 n THR 119 Ca -0.02 -0.96 0.27 0.00 -2.27 0.00 0.00 64.05 61.07 2yr2 n THR 119 Cb 0.16 0.58 0.69 0.00 -2.10 0.00 0.00 70.33 69.65 2yr2 n THR 119 CO 0.00 0.00 0.00 1.23 -0.57 0.00 0.00 175.07 175.73 2yr2 h GLY 120 N 3.50 0.17 2.00 3.38 0.00 -0.51 -0.41 103.07 111.20 2yr2 h GLY 120 Ca 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 47.33 47.30 2yr2 h GLY 120 CO 0.00 -0.01 0.00 1.22 0.00 0.00 0.00 176.54 177.75 2yr2 n ASP 121 N -4.31 0.72 -4.83 0.19 8.00 -1.26 -4.75 116.55 110.30 2yr2 n ASP 121 Ca 0.19 0.65 -0.38 0.00 0.71 0.00 0.00 54.79 55.96 2yr2 n ASP 121 Cb 0.93 -0.81 -0.06 0.00 -0.02 0.00 0.00 41.12 41.16 2yr2 n ASP 121 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 2yr2 s LEU 122 N -4.53 4.49 0.51 0.64 1.43 -0.17 -5.08 118.68 115.98 2yr2 s LEU 122 Ca 0.05 1.05 -0.09 0.00 -1.03 0.00 0.00 54.13 54.12 2yr2 s LEU 122 Cb 0.10 -2.68 -0.05 0.00 0.03 0.00 0.00 46.19 43.59 2yr2 s LEU 122 CO 0.44 0.31 0.88 -0.94 0.23 0.00 0.00 176.35 177.26 2yr2 s SER 123 N -1.09 6.34 0.51 2.29 1.04 -1.26 -4.84 113.70 116.70 2yr2 s SER 123 Ca 0.25 1.19 0.25 0.00 0.48 0.00 0.00 55.95 58.11 2yr2 s SER 123 Cb -0.18 -2.36 1.35 0.00 0.10 0.00 0.00 66.02 64.94 2yr2 s SER 123 CO 0.15 -0.63 1.96 -0.33 0.98 0.00 0.00 173.24 175.37 2yr2 h GLU 124 N 0.34 0.07 -0.33 4.02 4.39 -1.98 0.98 114.58 122.08 2yr2 h GLU 124 Ca -0.46 -0.00 -0.06 0.00 0.34 0.00 0.00 59.36 59.17 2yr2 h GLU 124 Cb 1.19 -0.02 -0.01 0.00 -0.10 0.00 0.00 28.75 29.82 2yr2 h GLU 124 CO 0.62 0.05 -0.04 -0.44 -1.16 0.00 0.00 179.01 178.04 2yr2 h ASP 125 N 0.07 0.61 -0.26 1.42 3.32 -2.00 -2.58 116.42 117.00 2yr2 h ASP 125 Ca 0.30 -0.34 -0.12 0.00 0.02 0.00 0.00 57.03 56.89 2yr2 h ASP 125 Cb 1.10 -0.17 -0.01 0.00 0.22 0.00 0.00 39.33 40.47 2yr2 h ASP 125 CO -0.03 0.81 -0.28 -0.33 -1.72 0.00 0.00 179.24 177.70 2yr2 h GLU 126 N 0.41 0.76 -0.16 3.56 5.08 -1.27 -2.59 114.58 120.36 2yr2 h GLU 126 Ca 0.09 -0.33 0.04 0.00 -1.00 0.00 0.00 59.36 58.16 2yr2 h GLU 126 Cb 0.52 -0.02 -0.05 0.00 0.50 0.00 0.00 28.75 29.70 2yr2 h GLU 126 CO 0.03 0.95 -0.13 0.28 -1.00 0.00 0.00 179.01 179.13 2yr2 h VAL 127 N 0.65 0.63 -0.61 3.13 2.07 -0.85 0.20 116.25 121.47 2yr2 h VAL 127 Ca 0.08 0.00 -0.03 0.00 0.82 0.00 0.00 66.70 67.57 2yr2 h VAL 127 Cb 0.80 0.63 -0.03 0.00 -1.52 0.00 0.00 31.29 31.17 2yr2 h VAL 127 CO 0.07 0.00 0.27 0.40 0.02 0.00 0.00 177.57 178.33 2yr2 h ILE 128 N -0.14 1.22 -0.13 4.57 5.03 -1.42 0.38 117.51 127.02 2yr2 h ILE 128 Ca 0.10 -0.65 -0.01 0.00 -0.12 0.00 0.00 64.86 64.18 2yr2 h ILE 128 Cb 0.29 0.53 -0.01 0.00 -3.03 0.00 0.00 36.82 34.60 2yr2 h ILE 128 CO -0.25 0.26 0.05 0.25 -0.68 0.00 0.00 178.15 177.79 2yr2 h LEU 129 N 0.83 0.18 -0.15 1.44 5.85 -1.05 -1.17 115.31 121.24 2yr2 h LEU 129 Ca 0.21 -0.15 -0.00 0.00 0.84 0.00 0.00 57.88 58.77 2yr2 h LEU 129 Cb 0.16 -0.05 -0.01 0.00 0.37 0.00 0.00 40.66 41.13 2yr2 h LEU 129 CO -0.02 0.28 0.09 0.58 -0.34 0.00 0.00 178.44 179.02 2yr2 h VAL 130 N 0.06 1.07 -0.05 1.05 2.07 -0.43 -2.33 116.25 117.69 2yr2 h VAL 130 Ca 0.04 -0.18 0.02 0.00 0.82 0.00 0.00 66.70 67.40 2yr2 h VAL 130 Cb 0.16 0.93 -0.02 0.00 -1.52 0.00 0.00 31.29 30.83 2yr2 h VAL 130 CO -0.00 0.07 -0.08 0.25 0.02 0.00 0.00 177.57 177.82 2yr2 h LEU 131 N 0.16 -0.24 -0.73 2.57 5.85 -0.87 -0.37 115.31 121.68 2yr2 h LEU 131 Ca 0.05 0.04 0.13 0.00 0.84 0.00 0.00 57.88 58.95 2yr2 h LEU 131 Cb 0.03 0.11 -0.09 0.00 0.37 0.00 0.00 40.66 41.09 2yr2 h LEU 131 CO -0.01 -0.11 0.29 0.44 -0.34 0.00 0.00 178.44 178.71 2yr2 h ASP 132 N -0.12 0.28 -0.13 1.25 3.32 -1.12 0.84 116.42 120.73 2yr2 h ASP 132 Ca 0.05 0.10 -0.10 0.00 0.02 0.00 0.00 57.03 57.10 2yr2 h ASP 132 Cb 0.18 0.07 0.00 0.00 0.22 0.00 0.00 39.33 39.81 2yr2 h ASP 132 CO -0.12 0.12 -0.32 0.11 -1.72 0.00 0.00 179.24 177.31 2yr2 h LYS 133 N 0.45 0.45 0.00 3.56 1.79 -0.97 -3.04 116.57 118.82 2yr2 h LYS 133 Ca 0.39 -0.31 0.00 0.00 -2.18 0.00 0.00 60.65 58.55 2yr2 h LYS 133 Cb 0.56 0.04 0.00 0.00 -1.58 0.00 0.00 32.23 31.25 2yr2 h LYS 133 CO -0.38 0.92 0.00 -0.84 -1.08 0.00 0.00 179.45 178.07 2yr2 h ILE 134 N 0.06 0.00 -0.08 1.86 3.07 -0.83 -1.76 117.51 119.82 2yr2 h ILE 134 Ca -0.00 -0.54 -0.09 0.00 1.55 0.00 0.00 64.86 65.77 2yr2 h ILE 134 Cb 0.92 1.52 -0.01 0.00 -0.27 0.00 0.00 36.82 38.99 2yr2 h ILE 134 CO 0.07 0.00 -0.38 0.28 -1.05 0.00 0.00 178.15 177.07 2yr2 h SER 135 N 0.00 0.17 -0.38 2.16 0.02 -0.76 -1.45 113.55 113.30 2yr2 h SER 135 Ca 0.00 -0.06 -0.15 0.00 -0.84 0.00 0.00 61.79 60.74 2yr2 h SER 135 Cb 0.55 -0.05 -0.01 0.00 0.14 0.00 0.00 62.40 63.04 2yr2 h SER 135 CO 0.00 0.54 -0.34 0.11 -1.14 0.00 0.00 176.83 176.00 2yr2 h LYS 136 N 0.14 0.91 -0.67 3.45 1.57 -1.21 -1.96 116.57 118.79 2yr2 h LYS 136 Ca 0.01 -0.46 -0.01 0.00 -1.87 0.00 0.00 60.65 58.33 2yr2 h LYS 136 Cb 0.74 0.01 -0.03 0.00 0.08 0.00 0.00 32.23 33.02 2yr2 h LYS 136 CO 0.06 1.11 0.39 0.82 -0.57 0.00 0.00 179.45 181.26 2yr2 h ILE 137 N 0.72 1.20 -0.25 1.86 2.04 -1.27 -1.55 117.51 120.26 2yr2 h ILE 137 Ca 0.07 -0.46 -0.02 0.00 1.00 0.00 0.00 64.86 65.45 2yr2 h ILE 137 Cb 0.93 0.29 -0.01 0.00 -0.74 0.00 0.00 36.82 37.28 2yr2 h ILE 137 CO 0.09 0.21 0.09 0.25 0.00 0.00 0.00 178.15 178.79 2yr2 h LEU 138 N 0.91 0.35 -0.65 1.44 5.85 -1.16 -1.82 115.31 120.24 2yr2 h LEU 138 Ca 0.24 -0.18 0.03 0.00 0.84 0.00 0.00 57.88 58.81 2yr2 h LEU 138 Cb -0.01 -0.09 -0.04 0.00 0.37 0.00 0.00 40.66 40.89 2yr2 h LEU 138 CO -0.04 0.44 0.40 0.50 -0.34 0.00 0.00 178.44 179.40 2yr2 h LYS 139 N 0.25 0.77 0.37 1.25 3.64 -1.19 0.30 116.57 121.96 2yr2 h LYS 139 Ca 0.08 -0.05 -0.02 0.00 -1.27 0.00 0.00 60.65 59.40 2yr2 h LYS 139 Cb 0.20 -0.17 0.00 0.00 -0.41 0.00 0.00 32.23 31.85 2yr2 h LYS 139 CO -0.01 0.51 -0.18 0.00 -2.27 0.00 0.00 179.45 177.51 2yr2 h ARG 140 N 0.79 -0.48 0.00 1.90 2.47 -1.08 -2.93 114.38 115.06 2yr2 h ARG 140 Ca 0.26 0.03 -0.10 0.00 -1.26 0.00 0.00 59.98 58.92 2yr2 h ARG 140 Cb 0.01 0.11 -0.01 0.00 -1.65 0.00 0.00 29.97 28.42 2yr2 h ARG 140 CO -0.10 -0.32 -0.46 0.97 0.56 0.00 0.00 179.97 180.63 2yr2 h ILE 141 N -0.50 1.24 -0.02 2.04 2.10 -1.15 -2.76 117.51 118.47 2yr2 h ILE 141 Ca -0.05 -1.61 -0.08 0.00 1.08 0.00 0.00 64.86 64.21 2yr2 h ILE 141 Cb 0.38 1.89 -0.01 0.00 -1.09 0.00 0.00 36.82 37.99 2yr2 h ILE 141 CO 0.08 0.45 -0.34 -0.33 -1.08 0.00 0.00 178.15 176.92 2yr2 h GLU 142 N 0.00 0.03 -0.07 2.19 5.08 -0.84 -1.00 114.58 119.96 2yr2 h GLU 142 Ca -0.00 -0.01 -0.10 0.00 -1.00 0.00 0.00 59.36 58.24 2yr2 h GLU 142 Cb 0.85 -0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.10 2yr2 h GLU 142 CO 0.06 0.38 -0.35 0.93 -1.00 0.00 0.00 179.01 179.03 2yr2 h GLU 143 N 0.03 0.37 0.42 2.33 5.08 -1.37 -3.11 114.58 118.34 2yr2 h GLU 143 Ca 0.00 -0.30 -0.02 0.00 -1.00 0.00 0.00 59.36 58.04 2yr2 h GLU 143 Cb 0.63 0.06 0.00 0.00 0.50 0.00 0.00 28.75 29.94 2yr2 h GLU 143 CO 0.05 0.94 -0.20 0.82 -1.00 0.00 0.00 179.01 179.61 2yr2 h ILE 144 N -0.11 0.59 0.00 3.13 2.04 -1.26 -3.15 117.51 118.74 2yr2 h ILE 144 Ca -0.02 -0.06 0.00 0.00 1.00 0.00 0.00 64.86 65.78 2yr2 h ILE 144 Cb 1.00 0.62 0.00 0.00 -0.74 0.00 0.00 36.82 37.70 2yr2 h ILE 144 CO 0.07 0.01 0.00 0.77 0.00 0.00 0.00 178.15 179.00 2yr2 h SER 145 N -0.60 0.00 0.00 1.72 4.64 -1.32 -3.51 113.55 114.47 2yr2 h SER 145 Ca -0.06 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.26 2yr2 h SER 145 Cb 0.46 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.55 2yr2 h SER 145 CO 0.10 0.00 0.00 0.00 -0.87 0.00 0.00 176.83 176.06