#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1r1u h THR 10 N 0.00 1.31 0.05 5.53 2.02 -2.06 -2.39 112.91 117.38 1r1u h THR 10 Ca 0.00 -1.00 -0.23 0.00 0.77 0.00 0.00 66.41 65.95 1r1u h THR 10 Cb 0.00 1.84 -0.01 0.00 -1.74 0.00 0.00 68.15 68.24 1r1u h THR 10 CO 0.00 0.28 -1.05 0.44 0.37 0.00 0.00 175.52 175.56 1r1u h ASP 11 N -0.23 0.26 -0.32 4.18 3.32 -2.05 -1.75 116.42 119.83 1r1u h ASP 11 Ca 0.02 -0.25 0.04 0.00 0.02 0.00 0.00 57.03 56.86 1r1u h ASP 11 Cb 0.45 -0.08 -0.04 0.00 0.22 0.00 0.00 39.33 39.88 1r1u h ASP 11 CO 0.01 1.14 0.08 0.74 -1.72 0.00 0.00 179.24 179.49 1r1u h THR 12 N 0.07 0.87 0.00 0.35 2.02 -2.00 -2.10 112.91 112.12 1r1u h THR 12 Ca -0.07 -0.07 -0.05 0.00 0.77 0.00 0.00 66.41 66.99 1r1u h THR 12 Cb 1.75 0.64 -0.01 0.00 -1.74 0.00 0.00 68.15 68.80 1r1u h THR 12 CO 0.16 0.04 -0.22 -0.07 0.37 0.00 0.00 175.52 175.79 1r1u h LEU 13 N 0.20 0.00 -0.07 2.58 3.38 -1.14 -1.57 115.31 118.70 1r1u h LEU 13 Ca 0.15 0.00 -0.24 0.00 0.09 0.00 0.00 57.88 57.88 1r1u h LEU 13 Cb 0.15 0.00 0.02 0.00 0.09 0.00 0.00 40.66 40.92 1r1u h LEU 13 CO -0.18 0.22 -0.90 -0.33 0.09 0.00 0.00 178.44 177.35 1r1u h GLU 14 N 0.00 0.72 -0.51 1.13 4.39 -1.20 -1.38 114.58 117.73 1r1u h GLU 14 Ca -0.00 -0.69 -0.01 0.00 0.34 0.00 0.00 59.36 59.00 1r1u h GLU 14 Cb 0.76 0.17 -0.02 0.00 -0.10 0.00 0.00 28.75 29.56 1r1u h GLU 14 CO 0.03 1.28 0.27 0.00 -1.16 0.00 0.00 179.01 179.43 1r1u h ARG 15 N 0.42 0.72 -0.00 2.33 3.08 -1.07 -0.60 114.38 119.26 1r1u h ARG 15 Ca -0.09 -0.09 -0.12 0.00 0.07 0.00 0.00 59.98 59.75 1r1u h ARG 15 Cb 1.54 -0.14 -0.02 0.00 0.08 0.00 0.00 29.97 31.44 1r1u h ARG 15 CO 0.18 0.57 -0.55 -0.39 -1.07 0.00 0.00 179.97 178.71 1r1u h VAL 16 N 0.68 1.40 -0.68 2.04 -1.51 -1.29 -0.71 116.25 116.17 1r1u h VAL 16 Ca 0.18 -1.89 0.02 0.00 -1.23 0.00 0.00 66.70 63.77 1r1u h VAL 16 Cb 0.07 2.02 -0.04 0.00 -2.13 0.00 0.00 31.29 31.21 1r1u h VAL 16 CO -0.03 0.54 0.44 0.74 -1.23 0.00 0.00 177.57 178.04 1r1u h THR 17 N 0.00 1.14 -0.80 7.19 2.02 -1.01 -1.45 112.91 120.01 1r1u h THR 17 Ca -0.01 -0.31 -0.04 0.00 0.77 0.00 0.00 66.41 66.83 1r1u h THR 17 Cb 0.98 0.17 -0.04 0.00 -1.74 0.00 0.00 68.15 67.53 1r1u h THR 17 CO 0.07 0.16 0.34 -0.08 0.37 0.00 0.00 175.52 176.38 1r1u h GLU 18 N 0.89 1.18 -0.25 6.66 4.57 -0.43 -1.68 114.58 125.53 1r1u h GLU 18 Ca 0.26 -0.20 -0.01 0.00 -1.18 0.00 0.00 59.36 58.23 1r1u h GLU 18 Cb -0.06 -0.20 -0.01 0.00 -0.16 0.00 0.00 28.75 28.32 1r1u h GLU 18 CO -0.07 0.94 0.13 0.82 -1.18 0.00 0.00 179.01 179.65 1r1u h ILE 19 N 1.15 1.13 -0.05 2.32 2.04 -0.87 -2.08 117.51 121.15 1r1u h ILE 19 Ca 0.27 -0.37 -0.16 0.00 1.00 0.00 0.00 64.86 65.59 1r1u h ILE 19 Cb 0.19 0.92 -0.01 0.00 -0.74 0.00 0.00 36.82 37.18 1r1u h ILE 19 CO -0.03 0.13 -0.68 -0.26 0.00 0.00 0.00 178.15 177.31 1r1u h PHE 20 N 0.28 0.32 -0.29 1.37 0.04 -1.15 -2.48 116.94 115.05 1r1u h PHE 20 Ca 0.09 -0.14 -0.00 0.00 2.80 0.00 0.00 57.97 60.72 1r1u h PHE 20 Cb 0.10 -0.05 -0.01 0.00 2.20 0.00 0.00 35.95 38.18 1r1u h PHE 20 CO -0.03 0.85 0.17 0.87 -0.60 0.00 0.00 178.31 179.58 1r1u h LYS 21 N 0.17 0.39 -0.88 1.51 1.57 -1.21 -2.40 116.57 115.71 1r1u h LYS 21 Ca -0.02 -0.03 0.10 0.00 -1.87 0.00 0.00 60.65 58.83 1r1u h LYS 21 Cb 1.23 -0.08 -0.06 0.00 0.08 0.00 0.00 32.23 33.39 1r1u h LYS 21 CO 0.11 0.30 0.57 0.00 -0.57 0.00 0.00 179.45 179.85 1r1u h ALA 22 N 1.07 1.65 -0.00 3.86 0.00 -1.30 -1.58 119.26 122.96 1r1u h ALA 22 Ca 0.10 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.01 1r1u h ALA 22 Cb 0.01 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 17.60 1r1u h ALA 22 CO -0.02 0.17 -0.03 1.28 0.00 0.00 0.00 179.25 180.65 1r1u n LEU 23 N -4.53 0.04 -3.30 0.00 4.77 -0.94 -4.49 117.00 108.56 1r1u n LEU 23 Ca 0.15 0.40 -0.38 0.00 -0.03 0.00 0.00 56.01 56.14 1r1u n LEU 23 Cb 0.31 -0.41 -0.03 0.00 -2.33 0.00 0.00 43.42 40.96 1r1u n LEU 23 CO 0.31 0.01 3.09 0.61 -1.33 0.00 0.00 177.39 180.08 1r1u n GLY 24 N 1.43 4.44 3.59 -0.72 0.00 -0.60 -4.66 105.19 108.68 1r1u n GLY 24 Ca 0.09 -1.63 -0.03 0.00 0.00 0.00 0.00 46.02 44.46 1r1u n GLY 24 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1r1u s ASP 25 N 1.71 -0.77 0.14 1.61 -1.08 -1.26 -5.06 116.67 111.95 1r1u s ASP 25 Ca 0.66 1.15 -0.25 0.00 -0.52 0.00 0.00 52.55 53.60 1r1u s ASP 25 Cb 0.19 1.57 -0.00 0.00 -1.46 0.00 0.00 42.92 43.21 1r1u s ASP 25 CO -0.07 -0.17 1.62 0.22 0.52 0.00 0.00 175.17 177.28 1r1u h TYR 26 N 7.00 -0.81 -0.08 -5.34 3.20 -1.97 -1.25 116.97 117.72 1r1u h TYR 26 Ca -0.24 0.04 -0.11 0.00 3.14 0.00 0.00 58.73 61.56 1r1u h TYR 26 Cb 1.17 0.38 -0.01 0.00 1.54 0.00 0.00 36.73 39.81 1r1u h TYR 26 CO 0.12 -0.37 -0.45 -0.91 -1.64 0.00 0.00 178.16 174.91 1r1u h ASN 27 N -0.35 0.19 0.50 -2.11 2.35 -1.97 -1.37 115.58 112.82 1r1u h ASN 27 Ca 0.11 -0.08 -0.10 0.00 -0.55 0.00 0.00 56.30 55.67 1r1u h ASN 27 Cb 0.52 -0.05 -0.01 0.00 0.05 0.00 0.00 38.32 38.82 1r1u h ASN 27 CO -0.37 0.62 -0.48 0.03 -1.65 0.00 0.00 177.43 175.59 1r1u h ARG 28 N 0.15 0.00 -0.24 0.81 3.08 -1.84 -1.74 114.38 114.59 1r1u h ARG 28 Ca 0.01 0.00 -0.10 0.00 0.07 0.00 0.00 59.98 59.96 1r1u h ARG 28 Cb 0.86 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.91 1r1u h ARG 28 CO 0.07 0.48 -0.23 0.82 -1.07 0.00 0.00 179.97 180.03 1r1u h ILE 29 N 0.00 1.32 -0.75 2.04 1.08 -1.04 0.00 117.51 120.16 1r1u h ILE 29 Ca -0.00 -1.39 0.09 0.00 -0.39 0.00 0.00 64.86 63.17 1r1u h ILE 29 Cb 0.85 1.67 -0.07 0.00 -3.07 0.00 0.00 36.82 36.20 1r1u h ILE 29 CO 0.06 0.43 0.40 0.03 -0.69 0.00 0.00 178.15 178.38 1r1u h ARG 30 N 0.29 0.65 -0.15 2.37 3.08 -1.06 0.53 114.38 120.09 1r1u h ARG 30 Ca 0.04 -0.04 -0.03 0.00 0.07 0.00 0.00 59.98 60.02 1r1u h ARG 30 Cb 0.78 -0.15 -0.00 0.00 0.08 0.00 0.00 29.97 30.68 1r1u h ARG 30 CO 0.06 0.43 -0.03 0.82 -1.07 0.00 0.00 179.97 180.18 1r1u h ILE 31 N 0.67 1.28 -0.77 2.04 2.04 -1.02 -1.73 117.51 120.02 1r1u h ILE 31 Ca 0.36 -0.97 0.08 0.00 1.00 0.00 0.00 64.86 65.33 1r1u h ILE 31 Cb 0.36 1.61 -0.06 0.00 -0.74 0.00 0.00 36.82 37.99 1r1u h ILE 31 CO -0.26 0.28 0.44 0.24 0.00 0.00 0.00 178.15 178.85 1r1u h MET 32 N -0.00 0.74 -0.50 2.37 2.86 -0.82 -1.56 114.93 118.03 1r1u h MET 32 Ca 0.04 -0.04 -0.07 0.00 -2.06 0.00 0.00 59.70 57.56 1r1u h MET 32 Cb 0.45 -0.17 -0.02 0.00 0.06 0.00 0.00 31.60 31.92 1r1u h MET 32 CO 0.01 0.49 0.04 1.49 1.06 0.00 0.00 176.91 180.00 1r1u h GLU 33 N 0.77 0.86 -0.20 1.72 4.22 -0.78 -1.53 114.58 119.63 1r1u h GLU 33 Ca 0.36 -0.25 -0.00 0.00 0.08 0.00 0.00 59.36 59.54 1r1u h GLU 33 Cb 0.27 -0.09 -0.01 0.00 0.50 0.00 0.00 28.75 29.43 1r1u h GLU 33 CO -0.22 0.87 0.12 1.25 -2.18 0.00 0.00 179.01 178.86 1r1u h LEU 34 N 0.72 0.25 -1.58 1.64 5.85 -1.12 -1.88 115.31 119.20 1r1u h LEU 34 Ca 0.15 -0.05 0.14 0.00 0.84 0.00 0.00 57.88 58.96 1r1u h LEU 34 Cb 0.46 -0.06 -0.05 0.00 0.37 0.00 0.00 40.66 41.38 1r1u h LEU 34 CO 0.02 0.22 0.49 -0.07 -0.34 0.00 0.00 178.44 178.76 1r1u h LEU 35 N 0.25 0.40 -1.42 2.25 4.07 -1.22 0.18 115.31 119.82 1r1u h LEU 35 Ca 0.07 0.02 -0.03 0.00 0.08 0.00 0.00 57.88 58.02 1r1u h LEU 35 Cb 0.02 -0.06 -0.00 0.00 1.08 0.00 0.00 40.66 41.70 1r1u h LEU 35 CO -0.01 0.21 -0.15 0.77 -1.08 0.00 0.00 178.44 178.17 1r1u h SER 36 N 0.43 0.00 0.00 -0.43 4.64 -0.47 -2.72 113.55 115.00 1r1u h SER 36 Ca 0.36 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 61.66 1r1u h SER 36 Cb 0.80 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.89 1r1u h SER 36 CO -0.11 0.15 -0.09 0.58 -0.87 0.00 0.00 176.83 176.49 1r1u h VAL 37 N 0.00 1.62 -1.83 0.95 2.07 -0.54 -3.49 116.25 115.03 1r1u h VAL 37 Ca -0.00 -1.94 -0.00 0.00 0.82 0.00 0.00 66.70 65.57 1r1u h VAL 37 Cb 0.59 2.91 -0.21 0.00 -1.52 0.00 0.00 31.29 33.06 1r1u h VAL 37 CO 0.02 0.51 0.33 -0.55 0.02 0.00 0.00 177.57 177.90 1r1u s SER 38 N -6.13 -0.55 0.75 0.57 0.15 -0.67 -5.13 113.70 102.69 1r1u s SER 38 Ca -0.17 0.64 -0.14 0.00 0.70 0.00 0.00 55.95 56.98 1r1u s SER 38 Cb -0.01 0.51 0.05 0.00 -1.71 0.00 0.00 66.02 64.86 1r1u s SER 38 CO 0.70 -0.48 1.20 -1.83 1.20 0.00 0.00 173.24 174.03 1r1u s GLU 39 N -1.04 2.05 0.04 5.44 -1.05 -1.25 -4.09 118.70 118.80 1r1u s GLU 39 Ca -0.07 1.73 -0.26 0.00 -0.15 0.00 0.00 54.97 56.22 1r1u s GLU 39 Cb -0.01 -1.83 0.06 0.00 -0.44 0.00 0.00 34.13 31.92 1r1u s GLU 39 CO 0.06 -1.90 0.61 0.00 0.95 0.00 0.00 175.26 174.98 1r1u s ALA 40 N -2.05 -1.59 0.58 -0.84 0.00 -0.60 -4.94 121.76 112.31 1r1u s ALA 40 Ca 0.73 0.87 -0.09 0.00 0.00 0.00 0.00 51.96 53.47 1r1u s ALA 40 Cb -0.28 0.37 -0.03 0.00 0.00 0.00 0.00 23.12 23.17 1r1u s ALA 40 CO 0.46 -0.53 0.94 -1.54 0.00 0.00 0.00 175.76 175.10 1r1u s SER 41 N -1.87 6.15 0.26 0.00 1.04 -1.26 -0.66 113.70 117.36 1r1u s SER 41 Ca -0.06 1.19 -0.02 0.00 0.48 0.00 0.00 55.95 57.55 1r1u s SER 41 Cb -0.01 -2.31 0.52 0.00 0.10 0.00 0.00 66.02 64.33 1r1u s SER 41 CO -0.00 -0.81 1.75 0.58 0.98 0.00 0.00 173.24 175.74 1r1u h VAL 42 N -0.15 0.70 -0.29 5.02 2.07 -2.00 -1.32 116.25 120.28 1r1u h VAL 42 Ca -0.45 -0.19 -0.06 0.00 0.82 0.00 0.00 66.70 66.82 1r1u h VAL 42 Cb 1.20 0.08 -0.02 0.00 -1.52 0.00 0.00 31.29 31.04 1r1u h VAL 42 CO 0.62 0.10 -0.08 1.23 0.02 0.00 0.00 177.57 179.46 1r1u h GLY 43 N 0.56 0.50 0.87 2.17 0.00 -1.96 -0.09 103.07 105.13 1r1u h GLY 43 Ca 0.46 -0.32 -0.11 0.00 0.00 0.00 0.00 47.33 47.35 1r1u h GLY 43 CO -0.38 0.30 -0.31 0.84 0.00 0.00 0.00 176.54 176.99 1r1u h HIS 44 N 0.44 0.67 -0.33 5.60 6.17 -1.83 -2.02 115.15 123.85 1r1u h HIS 44 Ca 0.09 -0.23 0.05 0.00 0.71 0.00 0.00 60.37 60.99 1r1u h HIS 44 Cb 0.42 -0.13 -0.05 0.00 2.52 0.00 0.00 27.41 30.17 1r1u h HIS 44 CO 0.01 0.95 0.03 0.82 0.71 0.00 0.00 177.93 180.45 1r1u h ILE 45 N 0.20 0.79 -0.61 6.26 2.04 -0.92 -1.60 117.51 123.67 1r1u h ILE 45 Ca 0.01 -0.04 0.09 0.00 1.00 0.00 0.00 64.86 65.92 1r1u h ILE 45 Cb 0.90 0.65 -0.07 0.00 -0.74 0.00 0.00 36.82 37.56 1r1u h ILE 45 CO 0.07 0.02 0.25 -1.28 0.00 0.00 0.00 178.15 177.21 1r1u h SER 46 N 0.13 0.28 -0.25 1.72 0.87 -0.99 -2.04 113.55 113.27 1r1u h SER 46 Ca 0.16 0.07 -0.09 0.00 -1.23 0.00 0.00 61.79 60.70 1r1u h SER 46 Cb 0.20 0.03 -0.01 0.00 -0.44 0.00 0.00 62.40 62.19 1r1u h SER 46 CO -0.24 0.17 -0.18 -0.74 -0.53 0.00 0.00 176.83 175.31 1r1u h HIS 47 N 0.45 0.67 -0.26 2.24 -0.00 -1.09 0.02 115.15 117.18 1r1u h HIS 47 Ca 0.30 -0.18 -0.14 0.00 -0.00 0.00 0.00 60.37 60.35 1r1u h HIS 47 Cb 0.34 -0.15 -0.01 0.00 -0.00 0.00 0.00 27.41 27.59 1r1u h HIS 47 CO -0.15 0.86 -0.42 0.37 -0.00 0.00 0.00 177.93 178.59 1r1u h GLN 48 N 0.29 0.62 -0.03 5.26 5.75 -1.10 -3.24 115.11 122.66 1r1u h GLN 48 Ca 0.05 -0.32 0.00 0.00 -0.15 0.00 0.00 58.65 58.23 1r1u h GLN 48 Cb 0.71 0.01 0.00 0.00 1.07 0.00 0.00 27.48 29.27 1r1u h GLN 48 CO 0.05 0.92 0.00 1.28 -2.65 0.00 0.00 178.83 178.43 1r1u n LEU 49 N -4.03 2.89 -3.67 -2.39 4.77 -0.78 -4.99 117.00 108.81 1r1u n LEU 49 Ca -0.02 -1.00 -0.31 0.00 -0.03 0.00 0.00 56.01 54.65 1r1u n LEU 49 Cb 0.53 -0.00 0.05 0.00 -2.33 0.00 0.00 43.42 41.66 1r1u n LEU 49 CO 0.46 0.49 -0.07 -3.20 -1.33 0.00 0.00 177.39 173.74 1r1u n ASN 50 N 1.28 -5.40 -4.12 -1.43 4.05 -0.04 -5.00 115.26 104.60 1r1u n ASN 50 Ca 0.13 -1.01 -0.19 0.00 0.45 0.00 0.00 54.58 53.97 1r1u n ASN 50 Cb 0.57 -3.43 -0.13 0.00 1.23 0.00 0.00 39.78 38.02 1r1u n ASN 50 CO 0.00 0.00 0.00 -0.76 -3.05 0.00 0.00 177.26 173.45 1r1u s LEU 51 N -6.43 2.17 0.63 1.20 1.43 -1.02 -5.07 118.68 111.59 1r1u s LEU 51 Ca 0.48 -0.44 -0.17 0.00 -1.03 0.00 0.00 54.13 52.96 1r1u s LEU 51 Cb -0.17 -0.51 -0.01 0.00 0.03 0.00 0.00 46.19 45.53 1r1u s LEU 51 CO 0.86 0.00 1.17 -0.94 0.23 0.00 0.00 176.35 177.67 1r1u s SER 52 N -1.13 5.03 0.16 2.29 1.04 -1.26 -4.38 113.70 115.45 1r1u s SER 52 Ca -0.00 2.25 -0.13 0.00 0.48 0.00 0.00 55.95 58.54 1r1u s SER 52 Cb -0.08 -2.58 0.05 0.00 0.10 0.00 0.00 66.02 63.51 1r1u s SER 52 CO 0.01 -1.70 1.72 1.56 0.98 0.00 0.00 173.24 175.82 1r1u h GLN 53 N 0.45 0.78 -0.68 4.02 4.20 -1.94 0.12 115.11 122.06 1r1u h GLN 53 Ca -0.49 -0.13 0.03 0.00 0.06 0.00 0.00 58.65 58.12 1r1u h GLN 53 Cb 1.28 -0.13 -0.04 0.00 0.30 0.00 0.00 27.48 28.89 1r1u h GLN 53 CO 0.54 0.67 0.45 0.66 -0.67 0.00 0.00 178.83 180.48 1r1u h SER 54 N 0.71 0.72 0.02 1.46 4.64 -1.99 -0.98 113.55 118.14 1r1u h SER 54 Ca 0.18 -0.01 -0.00 0.00 -0.47 0.00 0.00 61.79 61.49 1r1u h SER 54 Cb 0.17 -0.17 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 1r1u h SER 54 CO -0.02 0.50 -0.01 -1.13 -0.87 0.00 0.00 176.83 175.30 1r1u h ASN 55 N 0.84 -0.02 -0.45 4.97 -0.00 -1.75 -2.67 115.58 116.50 1r1u h ASN 55 Ca 0.27 -0.39 0.09 0.00 -0.00 0.00 0.00 56.30 56.27 1r1u h ASN 55 Cb 0.04 0.01 -0.08 0.00 -0.00 0.00 0.00 38.32 38.28 1r1u h ASN 55 CO -0.07 0.38 -0.09 0.58 -0.00 0.00 0.00 177.43 178.23 1r1u h VAL 56 N -0.43 0.57 -0.72 2.57 2.07 -0.58 -0.49 116.25 119.24 1r1u h VAL 56 Ca -0.00 -0.01 0.06 0.00 0.82 0.00 0.00 66.70 67.57 1r1u h VAL 56 Cb 0.41 0.55 -0.06 0.00 -1.52 0.00 0.00 31.29 30.67 1r1u h VAL 56 CO 0.00 0.00 0.42 0.28 0.02 0.00 0.00 177.57 178.30 1r1u h SER 57 N 0.02 0.64 -0.51 0.57 0.02 -1.23 -0.02 113.55 113.04 1r1u h SER 57 Ca 0.22 0.03 0.02 0.00 -0.84 0.00 0.00 61.79 61.21 1r1u h SER 57 Cb 0.33 -0.10 -0.03 0.00 0.14 0.00 0.00 62.40 62.74 1r1u h SER 57 CO -0.44 0.41 0.31 -0.74 -1.14 0.00 0.00 176.83 175.23 1r1u h HIS 58 N 0.77 0.59 -0.38 3.45 6.17 -0.80 -0.83 115.15 124.12 1r1u h HIS 58 Ca 0.32 0.02 -0.15 0.00 0.71 0.00 0.00 60.37 61.27 1r1u h HIS 58 Cb 0.18 -0.19 -0.01 0.00 2.52 0.00 0.00 27.41 29.91 1r1u h HIS 58 CO -0.06 0.35 -0.35 1.96 0.71 0.00 0.00 177.93 180.54 1r1u h GLN 59 N 0.63 0.88 -0.29 5.26 1.08 -0.62 -2.75 115.11 119.29 1r1u h GLN 59 Ca 0.20 -0.43 -0.09 0.00 -1.45 0.00 0.00 58.65 56.87 1r1u h GLN 59 Cb -0.01 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 27.41 1r1u h GLN 59 CO -0.07 1.08 -0.20 -0.07 -0.95 0.00 0.00 178.83 178.61 1r1u h LEU 60 N 0.73 0.54 -0.82 1.46 3.38 -0.75 0.24 115.31 120.09 1r1u h LEU 60 Ca 0.07 -0.17 -0.09 0.00 0.09 0.00 0.00 57.88 57.78 1r1u h LEU 60 Cb 0.92 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 41.50 1r1u h LEU 60 CO 0.08 0.75 -0.13 0.50 0.09 0.00 0.00 178.44 179.73 1r1u h LYS 61 N 0.48 0.75 -0.06 1.13 3.64 -1.03 0.13 116.57 121.60 1r1u h LYS 61 Ca 0.08 -0.25 -0.02 0.00 -1.27 0.00 0.00 60.65 59.18 1r1u h LYS 61 Cb 0.62 -0.06 -0.00 0.00 -0.41 0.00 0.00 32.23 32.38 1r1u h LYS 61 CO 0.04 0.84 -0.04 1.25 -2.27 0.00 0.00 179.45 179.28 1r1u h LEU 62 N 0.67 0.15 -1.44 5.20 5.85 -1.18 -1.52 115.31 123.04 1r1u h LEU 62 Ca 0.11 -0.43 0.04 0.00 0.84 0.00 0.00 57.88 58.44 1r1u h LEU 62 Cb 0.60 -0.04 -0.04 0.00 0.37 0.00 0.00 40.66 41.56 1r1u h LEU 62 CO 0.04 0.55 0.42 -0.07 -0.34 0.00 0.00 178.44 179.04 1r1u h LEU 63 N -0.26 0.61 -0.16 2.25 3.38 -0.82 -2.88 115.31 117.44 1r1u h LEU 63 Ca 0.01 -0.00 -0.18 0.00 0.09 0.00 0.00 57.88 57.80 1r1u h LEU 63 Cb 0.50 -0.14 0.01 0.00 0.09 0.00 0.00 40.66 41.12 1r1u h LEU 63 CO 0.01 0.41 -0.62 0.50 0.09 0.00 0.00 178.44 178.84 1r1u h LYS 64 N 0.71 0.70 -0.12 1.13 3.64 -0.63 -0.93 116.57 121.06 1r1u h LYS 64 Ca 0.26 -0.54 0.03 0.00 -1.27 0.00 0.00 60.65 59.14 1r1u h LYS 64 Cb 0.15 0.10 -0.00 0.00 -0.41 0.00 0.00 32.23 32.07 1r1u h LYS 64 CO -0.08 1.16 0.19 0.66 -2.27 0.00 0.00 179.45 179.12 1r1u h SER 65 N 0.39 0.00 -0.37 4.20 4.64 -1.05 0.80 113.55 122.16 1r1u h SER 65 Ca -0.03 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.29 1r1u h SER 65 Cb 1.25 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.34 1r1u h SER 65 CO 0.13 0.00 0.00 1.33 -0.87 0.00 0.00 176.83 177.42 1r1u n VAL 66 N -3.50 1.77 -3.18 0.95 0.24 -1.19 -5.00 118.33 108.42 1r1u n VAL 66 Ca 0.00 -1.44 -0.23 0.00 -2.04 0.00 0.00 64.34 60.64 1r1u n VAL 66 Cb 0.29 0.08 0.05 0.00 -1.47 0.00 0.00 33.84 32.79 1r1u n VAL 66 CO 0.00 0.00 0.00 1.41 -2.14 0.00 0.00 176.83 176.10 1r1u n HIS 67 N 0.17 -2.23 0.04 6.34 -0.00 0.27 -4.84 115.22 114.98 1r1u n HIS 67 Ca 0.19 0.67 0.05 0.00 -0.00 0.00 0.00 57.72 58.62 1r1u n HIS 67 Cb 0.74 -4.63 -0.07 0.00 -0.00 0.00 0.00 29.99 26.02 1r1u n HIS 67 CO 0.00 0.00 0.00 1.28 -0.00 0.00 0.00 176.34 177.62 1r1u n LEU 68 N -4.28 0.68 -4.16 2.41 4.77 -0.37 -4.68 117.00 111.38 1r1u n LEU 68 Ca -0.08 0.29 -0.14 0.00 -0.03 0.00 0.00 56.01 56.05 1r1u n LEU 68 Cb 0.60 0.05 -0.11 0.00 -2.33 0.00 0.00 43.42 41.63 1r1u n LEU 68 CO 0.52 0.04 -0.41 0.68 -1.33 0.00 0.00 177.39 176.88 1r1u s VAL 69 N -3.12 0.86 0.25 4.08 -7.23 -1.21 -1.40 120.40 112.62 1r1u s VAL 69 Ca -0.03 -1.56 0.05 0.00 -1.81 0.00 0.00 61.98 58.63 1r1u s VAL 69 Cb 0.09 -1.26 -0.05 0.00 0.56 0.00 0.00 36.38 35.73 1r1u s VAL 69 CO 0.82 -0.54 -0.03 -1.59 -0.31 0.00 0.00 175.10 173.44 1r1u s LYS 70 N -2.64 1.41 -0.03 4.82 -2.85 -0.22 -4.30 119.74 115.92 1r1u s LYS 70 Ca 0.03 -1.71 0.04 0.00 -1.00 0.00 0.00 55.97 53.33 1r1u s LYS 70 Cb -0.04 -0.84 -0.00 0.00 -2.06 0.00 0.00 37.83 34.89 1r1u s LYS 70 CO -0.00 -0.03 -0.14 0.00 0.10 0.00 0.00 175.35 175.28 1r1u s ALA 71 N -3.24 1.25 -0.02 0.59 0.00 -1.26 -1.49 121.76 117.59 1r1u s ALA 71 Ca 0.28 -0.58 0.02 0.00 0.00 0.00 0.00 51.96 51.68 1r1u s ALA 71 Cb 0.05 -0.40 0.01 0.00 0.00 0.00 0.00 23.12 22.78 1r1u s ALA 71 CO 0.09 0.25 -0.06 0.21 0.00 0.00 0.00 175.76 176.25 1r1u s LYS 72 N -0.04 0.65 0.36 0.00 2.20 -0.22 -4.91 119.74 117.77 1r1u s LYS 72 Ca -0.01 -0.18 -0.28 0.00 -0.36 0.00 0.00 55.97 55.14 1r1u s LYS 72 Cb -0.09 -0.65 -0.10 0.00 -1.51 0.00 0.00 37.83 35.49 1r1u s LYS 72 CO 0.01 0.05 1.32 0.50 -0.36 0.00 0.00 175.35 176.87 1r1u s ARG 73 N 0.28 4.23 -0.29 4.03 3.52 -1.26 -1.39 118.95 128.07 1r1u s ARG 73 Ca -0.03 2.23 -0.03 0.00 -0.13 0.00 0.00 55.73 57.77 1r1u s ARG 73 Cb -0.08 -2.98 0.11 0.00 -1.56 0.00 0.00 34.95 30.45 1r1u s ARG 73 CO -0.00 -0.30 0.17 -1.14 -0.81 0.00 0.00 175.30 173.22 1r1u s GLN 74 N -1.94 0.24 7.81 5.12 2.00 -0.85 -4.90 119.66 127.13 1r1u s GLN 74 Ca 0.51 -0.49 0.00 0.00 -2.00 0.00 0.00 55.36 53.39 1r1u s GLN 74 Cb -0.40 -1.06 0.00 0.00 0.80 0.00 0.00 33.01 32.36 1r1u s GLN 74 CO 0.53 -1.03 0.00 0.41 -0.50 0.00 0.00 175.29 174.69 1r1u n GLY 75 N 5.20 3.94 0.11 2.59 0.00 -1.26 -2.94 105.19 112.84 1r1u n GLY 75 Ca -0.04 0.02 0.12 0.00 0.00 0.00 0.00 46.02 46.12 1r1u n GLY 75 CO 0.00 0.00 0.00 0.06 0.00 0.00 0.00 173.32 173.38 1r1u h GLN 76 N 0.00 0.00 0.00 1.61 3.07 -2.02 -3.48 115.11 114.29 1r1u h GLN 76 Ca 0.00 0.00 -0.51 0.00 0.09 0.00 0.00 58.65 58.23 1r1u h GLN 76 Cb 0.00 0.00 -0.03 0.00 0.08 0.00 0.00 27.48 27.53 1r1u h GLN 76 CO 0.00 0.00 -0.22 0.45 0.09 0.00 0.00 178.83 179.15 1r1u n SER 77 N -2.47 2.50 -4.35 0.06 2.88 -1.15 -5.11 113.62 105.98 1r1u n SER 77 Ca 0.03 -2.68 -0.33 0.00 -1.33 0.00 0.00 58.87 54.56 1r1u n SER 77 Cb 0.48 -0.09 -0.15 0.00 -0.75 0.00 0.00 64.21 63.70 1r1u n SER 77 CO 0.00 0.00 0.00 -0.32 -1.23 0.00 0.00 175.04 173.49 1r1u s MET 78 N -4.12 3.34 -0.15 -1.46 1.75 -1.26 -2.01 119.30 115.39 1r1u s MET 78 Ca 0.33 -0.71 -0.02 0.00 -1.25 0.00 0.00 55.69 54.04 1r1u s MET 78 Cb -0.03 -2.60 -0.02 0.00 2.84 0.00 0.00 34.83 35.03 1r1u s MET 78 CO 0.21 0.20 -0.09 0.42 -0.65 0.00 0.00 175.02 175.11 1r1u s ILE 79 N 0.37 3.34 0.09 10.11 -1.09 -0.48 -4.36 121.20 129.17 1r1u s ILE 79 Ca -0.12 -0.55 -0.01 0.00 -2.23 0.00 0.00 60.65 57.75 1r1u s ILE 79 Cb -0.16 -2.44 -0.04 0.00 -1.58 0.00 0.00 42.46 38.23 1r1u s ILE 79 CO 0.06 0.50 0.26 -0.31 -1.23 0.00 0.00 174.94 174.21 1r1u s TYR 80 N 0.57 3.51 0.01 3.97 2.02 0.16 -1.06 117.35 126.52 1r1u s TYR 80 Ca -0.06 0.33 -0.20 0.00 -0.37 0.00 0.00 57.07 56.77 1r1u s TYR 80 Cb -0.15 -1.82 0.04 0.00 -0.40 0.00 0.00 41.96 39.63 1r1u s TYR 80 CO 0.03 0.54 0.45 -1.54 -1.57 0.00 0.00 175.55 173.46 1r1u s SER 81 N -2.52 -0.35 0.45 2.29 1.04 -0.55 -1.56 113.70 112.50 1r1u s SER 81 Ca 0.37 0.20 -0.22 0.00 0.48 0.00 0.00 55.95 56.77 1r1u s SER 81 Cb -0.13 0.42 -0.11 0.00 0.10 0.00 0.00 66.02 66.31 1r1u s SER 81 CO 0.27 -0.59 0.77 0.18 0.98 0.00 0.00 173.24 174.85 1r1u n LEU 82 N 0.82 1.48 0.03 2.42 4.32 -1.26 -1.06 117.00 123.76 1r1u n LEU 82 Ca -0.20 0.93 -0.13 0.00 -0.02 0.00 0.00 56.01 56.60 1r1u n LEU 82 Cb 0.58 -1.24 -0.08 0.00 -1.62 0.00 0.00 43.42 41.05 1r1u n LEU 82 CO 0.21 -2.24 0.74 -0.78 -1.22 0.00 0.00 177.39 174.11 1r1u h ASP 83 N 1.01 -0.05 -2.28 -1.43 3.58 -1.51 -3.41 116.42 112.33 1r1u h ASP 83 Ca -0.43 -0.22 -0.07 0.00 0.42 0.00 0.00 57.03 56.73 1r1u h ASP 83 Cb 1.37 0.01 -0.01 0.00 1.72 0.00 0.00 39.33 42.42 1r1u h ASP 83 CO 0.53 0.19 0.04 -0.90 -2.88 0.00 0.00 179.24 176.23 1r1u n ASP 84 N -5.00 -0.88 0.18 2.28 3.85 -1.26 -4.89 116.55 110.83 1r1u n ASP 84 Ca -0.08 -1.81 0.05 0.00 -0.71 0.00 0.00 54.79 52.24 1r1u n ASP 84 Cb 0.15 1.53 0.49 0.00 -1.35 0.00 0.00 41.12 41.94 1r1u n ASP 84 CO 0.00 0.00 0.00 -0.29 -1.01 0.00 0.00 177.20 175.90 1r1u h ILE 85 N 1.47 1.12 -0.43 2.12 2.10 -1.99 -2.30 117.51 119.60 1r1u h ILE 85 Ca -0.14 -0.50 -0.09 0.00 1.08 0.00 0.00 64.86 65.20 1r1u h ILE 85 Cb 0.57 1.15 -0.01 0.00 -1.09 0.00 0.00 36.82 37.44 1r1u h ILE 85 CO 0.19 0.15 -0.08 0.45 -1.08 0.00 0.00 178.15 177.78 1r1u h HIS 86 N 0.12 0.92 -0.22 2.19 -0.00 -1.98 0.16 115.15 116.33 1r1u h HIS 86 Ca 0.03 -0.19 -0.00 0.00 -0.00 0.00 0.00 60.37 60.20 1r1u h HIS 86 Cb 0.24 -0.23 -0.01 0.00 -0.00 0.00 0.00 27.41 27.41 1r1u h HIS 86 CO 0.00 0.92 0.12 0.28 -0.00 0.00 0.00 177.93 179.25 1r1u h VAL 87 N 0.65 1.11 -0.94 2.45 2.07 -1.87 -0.25 116.25 119.48 1r1u h VAL 87 Ca 0.11 -0.31 0.05 0.00 0.82 0.00 0.00 66.70 67.37 1r1u h VAL 87 Cb 0.61 0.91 -0.06 0.00 -1.52 0.00 0.00 31.29 31.23 1r1u h VAL 87 CO 0.04 0.11 0.60 0.00 0.02 0.00 0.00 177.57 178.34 1r1u h ALA 88 N 1.00 1.27 -0.19 1.67 0.00 -1.34 -0.91 119.26 120.77 1r1u h ALA 88 Ca 0.08 -0.03 -0.13 0.00 0.00 0.00 0.00 54.91 54.83 1r1u h ALA 88 Cb 0.07 -0.30 0.00 0.00 0.00 0.00 0.00 17.79 17.56 1r1u h ALA 88 CO -0.01 0.42 -0.41 1.15 0.00 0.00 0.00 179.25 180.40 1r1u h THR 89 N 1.13 1.33 -0.19 0.00 2.02 -0.34 -0.69 112.91 116.17 1r1u h THR 89 Ca 0.39 -1.65 0.04 0.00 0.77 0.00 0.00 66.41 65.97 1r1u h THR 89 Cb 0.10 1.91 -0.04 0.00 -1.74 0.00 0.00 68.15 68.37 1r1u h THR 89 CO -0.15 0.51 -0.08 -0.03 0.37 0.00 0.00 175.52 176.13 1r1u h MET 90 N 0.27 -0.06 -0.34 6.66 1.85 -0.84 -1.16 114.93 121.33 1r1u h MET 90 Ca 0.00 0.00 -0.02 0.00 -0.61 0.00 0.00 59.70 59.07 1r1u h MET 90 Cb 1.01 0.01 -0.01 0.00 0.43 0.00 0.00 31.60 33.04 1r1u h MET 90 CO 0.09 -0.04 0.12 1.25 -0.40 0.00 0.00 176.91 177.93 1r1u h LEU 91 N -0.06 0.48 -0.93 3.39 5.85 -1.05 -1.78 115.31 121.21 1r1u h LEU 91 Ca 0.10 -0.19 -0.10 0.00 0.84 0.00 0.00 57.88 58.53 1r1u h LEU 91 Cb 0.21 -0.13 -0.01 0.00 0.37 0.00 0.00 40.66 41.10 1r1u h LEU 91 CO -0.23 0.54 -0.29 0.11 -0.34 0.00 0.00 178.44 178.23 1r1u h LYS 92 N 0.40 0.43 -0.15 1.25 1.57 -0.89 -0.69 116.57 118.50 1r1u h LYS 92 Ca 0.11 -0.17 -0.23 0.00 -1.87 0.00 0.00 60.65 58.49 1r1u h LYS 92 Cb 0.22 -0.02 0.01 0.00 0.08 0.00 0.00 32.23 32.52 1r1u h LYS 92 CO -0.01 0.69 -0.80 1.96 -0.57 0.00 0.00 179.45 180.72 1r1u h GLN 93 N 0.38 0.80 -0.52 3.15 1.08 -1.07 -1.83 115.11 117.09 1r1u h GLN 93 Ca 0.05 -0.66 0.02 0.00 -1.45 0.00 0.00 58.65 56.61 1r1u h GLN 93 Cb 0.71 0.14 -0.03 0.00 -0.05 0.00 0.00 27.48 28.25 1r1u h GLN 93 CO 0.05 1.26 0.32 0.00 -0.95 0.00 0.00 178.83 179.52 1r1u h ALA 94 N 0.55 0.66 -0.26 3.87 0.00 -1.04 -0.97 119.26 122.06 1r1u h ALA 94 Ca -0.06 -0.02 0.02 0.00 0.00 0.00 0.00 54.91 54.85 1r1u h ALA 94 Cb 1.43 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 19.03 1r1u h ALA 94 CO 0.16 0.04 0.13 0.82 0.00 0.00 0.00 179.25 180.40 1r1u h ILE 95 N 0.64 0.99 -0.56 0.00 1.08 -1.09 -1.29 117.51 117.28 1r1u h ILE 95 Ca 0.20 -0.09 0.00 0.00 -0.39 0.00 0.00 64.86 64.58 1r1u h ILE 95 Cb -0.01 0.69 -0.03 0.00 -3.07 0.00 0.00 36.82 34.41 1r1u h ILE 95 CO -0.08 0.05 0.35 -0.74 -0.69 0.00 0.00 178.15 177.04 1r1u h HIS 96 N 0.27 0.72 -0.97 1.37 2.76 -1.10 0.51 115.15 118.72 1r1u h HIS 96 Ca 0.11 0.01 0.02 0.00 -2.20 0.00 0.00 60.37 58.30 1r1u h HIS 96 Cb 0.03 -0.24 -0.05 0.00 1.55 0.00 0.00 27.41 28.70 1r1u h HIS 96 CO -0.10 0.48 0.64 1.25 -1.30 0.00 0.00 177.93 178.90 1r1u h HIS 97 N 0.75 1.21 0.00 5.26 -0.00 -0.82 -1.55 115.15 120.00 1r1u h HIS 97 Ca 0.20 0.03 -0.04 0.00 -0.00 0.00 0.00 60.37 60.57 1r1u h HIS 97 Cb -0.04 -0.41 -0.01 0.00 -0.00 0.00 0.00 27.41 26.95 1r1u h HIS 97 CO -0.03 0.74 -0.17 0.00 -0.00 0.00 0.00 177.93 178.47 1r1u h ALA 98 N 1.37 1.00 -0.01 5.26 0.00 -0.50 -2.83 119.26 123.55 1r1u h ALA 98 Ca 0.36 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 55.12 1r1u h ALA 98 Cb -0.11 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.65 1r1u h ALA 98 CO -0.09 0.21 -0.04 -1.71 0.00 0.00 0.00 179.25 177.62 1r1u n ASN 99 N -3.30 0.65 -4.50 0.00 4.05 0.10 -4.98 115.26 107.28 1r1u n ASN 99 Ca 0.01 -1.01 -0.24 0.00 0.45 0.00 0.00 54.58 53.78 1r1u n ASN 99 Cb 0.42 -0.02 -0.11 0.00 1.23 0.00 0.00 39.78 41.30 1r1u n ASN 99 CO 0.00 0.00 0.00 -1.38 -3.05 0.00 0.00 177.26 172.83 1r1u s HIS 100 N -2.17 2.20 0.00 1.20 -3.43 -1.07 -5.06 115.29 106.96 1r1u s HIS 100 Ca 0.38 -0.66 0.00 0.00 -0.80 0.00 0.00 55.06 53.98 1r1u s HIS 100 Cb 0.21 -1.34 0.00 0.00 -1.43 0.00 0.00 32.58 30.02 1r1u s HIS 100 CO 0.40 0.38 0.00 -2.30 -2.00 0.00 0.00 174.74 171.22 1r1u n PRO 101 N -0.73 1.50 -0.67 -0.38 -0.02 -1.26 -5.04 135.00 128.39 1r1u n PRO 101 Ca -0.05 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.43 1r1u n PRO 101 Cb 0.64 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 34.12 1r1u n PRO 101 CO 0.00 0.00 0.00 1.63 1.98 0.00 0.00 175.50 179.11