#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1r1u n THR 10 N 0.00 -0.34 0.05 5.53 -1.04 -1.26 -0.97 114.28 116.25 1r1u n THR 10 Ca 0.00 1.79 -0.23 0.00 -2.04 0.00 0.00 64.05 63.58 1r1u n THR 10 Cb 0.00 -2.47 -0.15 0.00 -1.82 0.00 0.00 70.33 65.89 1r1u n THR 10 CO 0.00 0.00 0.00 0.44 -0.64 0.00 0.00 175.07 174.87 1r1u h ASP 11 N 0.00 0.55 -0.73 8.00 3.32 -2.05 -2.32 116.42 123.18 1r1u h ASP 11 Ca 0.36 -0.93 0.17 0.00 0.02 0.00 0.00 57.03 56.65 1r1u h ASP 11 Cb 0.56 -0.18 -0.12 0.00 0.22 0.00 0.00 39.33 39.81 1r1u h ASP 11 CO -0.80 1.78 0.08 0.74 -1.72 0.00 0.00 179.24 179.31 1r1u h THR 12 N 0.03 0.42 0.00 0.35 2.02 -1.79 -1.43 112.91 112.51 1r1u h THR 12 Ca -0.35 -0.06 -0.05 0.00 0.77 0.00 0.00 66.41 66.72 1r1u h THR 12 Cb 2.03 0.24 -0.01 0.00 -1.74 0.00 0.00 68.15 68.67 1r1u h THR 12 CO 0.14 0.03 -0.25 -0.07 0.37 0.00 0.00 175.52 175.74 1r1u h LEU 13 N 0.16 0.00 -0.06 2.58 3.38 -1.00 -1.13 115.31 119.24 1r1u h LEU 13 Ca 0.41 0.00 -0.25 0.00 0.09 0.00 0.00 57.88 58.13 1r1u h LEU 13 Cb 0.72 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.48 1r1u h LEU 13 CO -0.59 0.25 -1.05 -0.33 0.09 0.00 0.00 178.44 176.81 1r1u h GLU 14 N 0.00 0.47 -0.59 1.13 4.39 -1.01 -1.97 114.58 116.99 1r1u h GLU 14 Ca -0.00 -0.56 -0.09 0.00 0.34 0.00 0.00 59.36 59.05 1r1u h GLU 14 Cb 0.91 0.17 -0.02 0.00 -0.10 0.00 0.00 28.75 29.71 1r1u h GLU 14 CO 0.03 1.20 0.03 0.00 -1.16 0.00 0.00 179.01 179.11 1r1u h ARG 15 N 0.24 1.02 -0.14 2.33 3.08 -0.98 -0.88 114.38 119.05 1r1u h ARG 15 Ca -0.11 -0.31 -0.13 0.00 0.07 0.00 0.00 59.98 59.50 1r1u h ARG 15 Cb 1.71 -0.10 -0.01 0.00 0.08 0.00 0.00 29.97 31.65 1r1u h ARG 15 CO 0.19 1.00 -0.47 -0.39 -1.07 0.00 0.00 179.97 179.22 1r1u h VAL 16 N 0.92 1.33 -0.71 2.04 -1.51 -1.21 0.41 116.25 117.52 1r1u h VAL 16 Ca 0.17 -1.68 0.04 0.00 -1.23 0.00 0.00 66.70 64.01 1r1u h VAL 16 Cb 0.51 1.74 -0.05 0.00 -2.13 0.00 0.00 31.29 31.37 1r1u h VAL 16 CO 0.02 0.51 0.43 0.74 -1.23 0.00 0.00 177.57 178.04 1r1u h THR 17 N 0.28 1.05 -0.45 7.19 2.02 -1.26 -1.37 112.91 120.37 1r1u h THR 17 Ca 0.02 -0.28 -0.08 0.00 0.77 0.00 0.00 66.41 66.84 1r1u h THR 17 Cb 0.94 0.16 -0.02 0.00 -1.74 0.00 0.00 68.15 67.50 1r1u h THR 17 CO 0.08 0.15 -0.03 -0.33 0.37 0.00 0.00 175.52 175.76 1r1u h GLU 18 N 0.81 0.81 -0.09 6.66 5.08 -0.56 -1.28 114.58 126.00 1r1u h GLU 18 Ca 0.30 -0.27 0.04 0.00 -1.00 0.00 0.00 59.36 58.43 1r1u h GLU 18 Cb 0.09 -0.07 -0.06 0.00 0.50 0.00 0.00 28.75 29.22 1r1u h GLU 18 CO -0.14 0.88 -0.31 0.82 -1.00 0.00 0.00 179.01 179.27 1r1u h ILE 19 N 0.65 0.32 -0.17 3.13 2.04 -0.81 -1.90 117.51 120.75 1r1u h ILE 19 Ca 0.12 0.00 -0.12 0.00 1.00 0.00 0.00 64.86 65.86 1r1u h ILE 19 Cb 0.54 0.32 -0.01 0.00 -0.74 0.00 0.00 36.82 36.92 1r1u h ILE 19 CO 0.03 0.00 -0.40 -0.26 0.00 0.00 0.00 178.15 177.51 1r1u h PHE 20 N -0.40 0.47 -0.51 1.37 0.04 -1.18 -2.52 116.94 114.20 1r1u h PHE 20 Ca 0.09 -0.13 0.04 0.00 2.80 0.00 0.00 57.97 60.77 1r1u h PHE 20 Cb 0.53 -0.10 -0.04 0.00 2.20 0.00 0.00 35.95 38.54 1r1u h PHE 20 CO -0.38 0.74 0.27 0.87 -0.60 0.00 0.00 178.31 179.22 1r1u h LYS 21 N 0.33 0.51 0.00 1.51 1.57 -1.04 -1.83 116.57 117.62 1r1u h LYS 21 Ca 0.03 -0.03 -0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1r1u h LYS 21 Cb 0.86 -0.11 -0.00 0.00 0.08 0.00 0.00 32.23 33.05 1r1u h LYS 21 CO 0.07 0.34 -0.01 0.00 -0.57 0.00 0.00 179.45 179.28 1r1u h ALA 22 N 1.27 1.87 0.00 3.86 0.00 -1.20 -1.79 119.26 123.27 1r1u h ALA 22 Ca 0.22 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.12 1r1u h ALA 22 Cb 0.12 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.91 1r1u h ALA 22 CO -0.15 0.01 -0.51 1.28 0.00 0.00 0.00 179.25 179.89 1r1u n LEU 23 N -4.36 0.55 -3.01 0.00 4.77 -0.76 -4.53 117.00 109.67 1r1u n LEU 23 Ca -0.03 0.16 -0.23 0.00 -0.03 0.00 0.00 56.01 55.88 1r1u n LEU 23 Cb 0.10 -0.24 -0.04 0.00 -2.33 0.00 0.00 43.42 40.91 1r1u n LEU 23 CO 0.33 0.03 2.40 0.61 -1.33 0.00 0.00 177.39 179.42 1r1u n GLY 24 N 1.42 3.24 3.62 -0.72 0.00 -0.67 -4.63 105.19 107.45 1r1u n GLY 24 Ca 0.05 -1.00 -0.04 0.00 0.00 0.00 0.00 46.02 45.03 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 2.91 -0.86 0.20 1.61 -1.08 -1.26 -5.07 116.67 113.12 1r1u s ASP 25 Ca 0.48 1.30 -0.15 0.00 -0.52 0.00 0.00 52.55 53.66 1r1u s ASP 25 Cb 0.14 1.59 0.19 0.00 -1.46 0.00 0.00 42.92 43.38 1r1u s ASP 25 CO -0.03 -0.20 1.64 0.22 0.52 0.00 0.00 175.17 177.31 1r1u h TYR 26 N 7.07 -0.33 -0.03 -5.34 3.20 -1.98 -1.33 116.97 118.22 1r1u h TYR 26 Ca -0.25 0.05 -0.15 0.00 3.14 0.00 0.00 58.73 61.52 1r1u h TYR 26 Cb 1.18 0.24 -0.02 0.00 1.54 0.00 0.00 36.73 39.67 1r1u h TYR 26 CO 0.10 -0.25 -0.65 -0.91 -1.64 0.00 0.00 178.16 174.81 1r1u h ASN 27 N -0.01 0.15 0.33 -2.11 2.35 -1.97 -1.59 115.58 112.73 1r1u h ASN 27 Ca 0.27 -0.09 -0.11 0.00 -0.55 0.00 0.00 56.30 55.82 1r1u h ASN 27 Cb 0.42 -0.04 -0.01 0.00 0.05 0.00 0.00 38.32 38.74 1r1u h ASN 27 CO -0.59 0.76 -0.44 0.03 -1.65 0.00 0.00 177.43 175.54 1r1u h ARG 28 N 0.09 0.14 -0.33 0.81 3.08 -1.82 -1.72 114.38 114.64 1r1u h ARG 28 Ca -0.01 -0.07 -0.12 0.00 0.07 0.00 0.00 59.98 59.85 1r1u h ARG 28 Cb 1.16 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 31.21 1r1u h ARG 28 CO 0.09 0.56 -0.28 0.82 -1.07 0.00 0.00 179.97 180.10 1r1u h ILE 29 N 0.12 1.29 -0.56 2.04 1.08 -1.10 0.18 117.51 120.56 1r1u h ILE 29 Ca 0.01 -1.44 0.03 0.00 -0.39 0.00 0.00 64.86 63.07 1r1u h ILE 29 Cb 0.83 1.48 -0.04 0.00 -3.07 0.00 0.00 36.82 36.03 1r1u h ILE 29 CO 0.06 0.47 0.33 0.03 -0.69 0.00 0.00 178.15 178.35 1r1u h ARG 30 N 0.54 0.63 -0.37 2.37 3.08 -1.12 0.67 114.38 120.18 1r1u h ARG 30 Ca 0.06 -0.04 -0.02 0.00 0.07 0.00 0.00 59.98 60.05 1r1u h ARG 30 Cb 0.85 -0.14 -0.02 0.00 0.08 0.00 0.00 29.97 30.74 1r1u h ARG 30 CO 0.07 0.42 0.15 0.82 -1.07 0.00 0.00 179.97 180.36 1r1u h ILE 31 N 0.65 1.19 -0.58 2.04 2.04 -1.11 -1.39 117.51 120.34 1r1u h ILE 31 Ca 0.23 -0.59 0.05 0.00 1.00 0.00 0.00 64.86 65.55 1r1u h ILE 31 Cb 0.04 0.88 -0.05 0.00 -0.74 0.00 0.00 36.82 36.96 1r1u h ILE 31 CO -0.11 0.21 0.31 0.24 0.00 0.00 0.00 178.15 178.80 1r1u h MET 32 N 0.46 0.57 -0.69 2.37 2.86 -0.70 -1.31 114.93 118.50 1r1u h MET 32 Ca 0.12 -0.03 -0.04 0.00 -2.06 0.00 0.00 59.70 57.69 1r1u h MET 32 Cb 0.19 -0.13 -0.03 0.00 0.06 0.00 0.00 31.60 31.69 1r1u h MET 32 CO -0.01 0.38 0.28 1.49 1.06 0.00 0.00 176.91 180.11 1r1u h GLU 33 N 0.59 1.02 -0.36 1.72 4.22 -0.75 -1.32 114.58 119.70 1r1u h GLU 33 Ca 0.26 -0.18 -0.04 0.00 0.08 0.00 0.00 59.36 59.47 1r1u h GLU 33 Cb 0.16 -0.17 -0.01 0.00 0.50 0.00 0.00 28.75 29.22 1r1u h GLU 33 CO -0.17 0.84 0.05 1.25 -2.18 0.00 0.00 179.01 178.80 1r1u h LEU 34 N 0.97 0.58 -1.82 1.64 5.85 -0.98 -1.85 115.31 119.71 1r1u h LEU 34 Ca 0.23 -0.27 0.02 0.00 0.84 0.00 0.00 57.88 58.70 1r1u h LEU 34 Cb 0.20 -0.15 -0.01 0.00 0.37 0.00 0.00 40.66 41.06 1r1u h LEU 34 CO -0.02 0.70 0.15 -0.07 -0.34 0.00 0.00 178.44 178.86 1r1u h LEU 35 N 0.43 0.21 -1.43 2.25 4.07 -1.12 -1.45 115.31 118.27 1r1u h LEU 35 Ca 0.11 -0.00 -0.04 0.00 0.08 0.00 0.00 57.88 58.02 1r1u h LEU 35 Cb 0.37 -0.05 -0.01 0.00 1.08 0.00 0.00 40.66 42.06 1r1u h LEU 35 CO 0.01 0.15 -0.21 0.77 -1.08 0.00 0.00 178.44 178.08 1r1u h SER 36 N 0.25 0.00 -0.00 -0.43 4.64 -0.39 -2.81 113.55 114.81 1r1u h SER 36 Ca 0.09 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.41 1r1u h SER 36 Cb 0.06 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.15 1r1u h SER 36 CO -0.02 0.21 -0.01 0.58 -0.87 0.00 0.00 176.83 176.72 1r1u h VAL 37 N 0.00 1.61 -1.83 0.95 2.07 -0.98 -3.49 116.25 114.59 1r1u h VAL 37 Ca -0.00 -1.82 0.02 0.00 0.82 0.00 0.00 66.70 65.72 1r1u h VAL 37 Cb 0.59 2.85 -0.21 0.00 -1.52 0.00 0.00 31.29 33.00 1r1u h VAL 37 CO 0.03 0.47 0.39 -0.94 0.02 0.00 0.00 177.57 177.54 1r1u s SER 38 N -6.00 -0.49 0.71 0.57 1.04 -0.84 -5.14 113.70 103.56 1r1u s SER 38 Ca -0.18 0.49 -0.16 0.00 0.48 0.00 0.00 55.95 56.59 1r1u s SER 38 Cb -0.01 0.41 0.02 0.00 0.10 0.00 0.00 66.02 66.54 1r1u s SER 38 CO 0.69 -0.49 1.15 -1.84 0.98 0.00 0.00 173.24 173.72 1r1u n GLU 39 N 0.71 0.66 -3.54 4.02 0.28 -1.25 -4.13 120.64 117.39 1r1u n GLU 39 Ca -0.14 0.29 -0.17 0.00 -0.16 0.00 0.00 57.16 56.97 1r1u n GLU 39 Cb 0.58 -2.39 -0.06 0.00 1.43 0.00 0.00 31.44 31.00 1r1u n GLU 39 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 1r1u s ALA 40 N -1.73 -1.77 0.61 -1.84 0.00 -0.17 -4.93 121.76 111.93 1r1u s ALA 40 Ca 0.77 1.44 -0.14 0.00 0.00 0.00 0.00 51.96 54.03 1r1u s ALA 40 Cb -0.35 -0.21 -0.03 0.00 0.00 0.00 0.00 23.12 22.54 1r1u s ALA 40 CO 0.47 -0.36 1.05 -1.54 0.00 0.00 0.00 175.76 175.37 1r1u s SER 41 N -0.93 5.79 0.25 0.00 1.04 -1.26 -0.81 113.70 117.78 1r1u s SER 41 Ca -0.09 1.72 -0.06 0.00 0.48 0.00 0.00 55.95 58.00 1r1u s SER 41 Cb -0.01 -2.52 0.45 0.00 0.10 0.00 0.00 66.02 64.05 1r1u s SER 41 CO 0.08 -1.16 1.64 0.58 0.98 0.00 0.00 173.24 175.37 1r1u h VAL 42 N 0.15 0.37 -0.80 5.02 2.07 -1.99 -0.33 116.25 120.74 1r1u h VAL 42 Ca -0.46 -0.04 -0.03 0.00 0.82 0.00 0.00 66.70 66.99 1r1u h VAL 42 Cb 1.21 0.22 -0.04 0.00 -1.52 0.00 0.00 31.29 31.17 1r1u h VAL 42 CO 0.58 0.02 0.39 1.23 0.02 0.00 0.00 177.57 179.81 1r1u h GLY 43 N 0.13 1.22 0.96 2.17 0.00 -1.95 0.77 103.07 106.38 1r1u h GLY 43 Ca 0.42 -0.59 -0.12 0.00 0.00 0.00 0.00 47.33 47.04 1r1u h GLY 43 CO -0.64 0.57 -0.28 0.84 0.00 0.00 0.00 176.54 177.02 1r1u h HIS 44 N 1.14 0.83 -0.26 5.60 6.17 -1.83 -1.95 115.15 124.84 1r1u h HIS 44 Ca 0.28 -0.25 0.03 0.00 0.71 0.00 0.00 60.37 61.14 1r1u h HIS 44 Cb 0.10 -0.17 -0.03 0.00 2.52 0.00 0.00 27.41 29.83 1r1u h HIS 44 CO 0.01 0.99 0.07 0.82 0.71 0.00 0.00 177.93 180.54 1r1u h ILE 45 N 0.43 0.91 -0.65 6.26 2.04 -0.29 -1.52 117.51 124.69 1r1u h ILE 45 Ca 0.04 -0.06 0.08 0.00 1.00 0.00 0.00 64.86 65.92 1r1u h ILE 45 Cb 0.85 0.71 -0.07 0.00 -0.74 0.00 0.00 36.82 37.57 1r1u h ILE 45 CO 0.07 0.03 0.31 -1.28 0.00 0.00 0.00 178.15 177.28 1r1u h SER 46 N 0.18 0.40 -0.17 1.72 0.87 -0.87 -2.31 113.55 113.37 1r1u h SER 46 Ca 0.12 0.06 -0.03 0.00 -1.23 0.00 0.00 61.79 60.70 1r1u h SER 46 Cb 0.10 -0.01 -0.01 0.00 -0.44 0.00 0.00 62.40 62.05 1r1u h SER 46 CO -0.14 0.24 -0.02 -0.74 -0.53 0.00 0.00 176.83 175.65 1r1u h HIS 47 N 0.55 0.34 -0.23 2.24 -0.00 -0.98 -0.79 115.15 116.27 1r1u h HIS 47 Ca 0.31 -0.06 -0.14 0.00 -0.00 0.00 0.00 60.37 60.48 1r1u h HIS 47 Cb 0.31 -0.09 -0.01 0.00 -0.00 0.00 0.00 27.41 27.63 1r1u h HIS 47 CO -0.12 0.54 -0.43 0.37 -0.00 0.00 0.00 177.93 178.30 1r1u h GLN 48 N 0.03 0.56 -0.09 5.26 5.75 -1.09 -3.23 115.11 122.31 1r1u h GLN 48 Ca 0.05 -0.30 0.00 0.00 -0.15 0.00 0.00 58.65 58.25 1r1u h GLN 48 Cb 0.42 0.01 0.00 0.00 1.07 0.00 0.00 27.48 28.98 1r1u h GLN 48 CO 0.01 0.89 0.00 1.28 -2.65 0.00 0.00 178.83 178.36 1r1u n LEU 49 N -4.02 2.93 -3.74 -2.39 4.77 -0.89 -4.99 117.00 108.68 1r1u n LEU 49 Ca -0.02 -1.03 -0.30 0.00 -0.03 0.00 0.00 56.01 54.63 1r1u n LEU 49 Cb 0.53 -0.04 0.03 0.00 -2.33 0.00 0.00 43.42 41.61 1r1u n LEU 49 CO 0.45 0.52 -0.11 -3.20 -1.33 0.00 0.00 177.39 173.72 1r1u n ASN 50 N 1.26 -3.95 -4.19 -1.43 4.05 -0.33 -5.00 115.26 105.68 1r1u n ASN 50 Ca 0.15 -1.00 -0.23 0.00 0.45 0.00 0.00 54.58 53.95 1r1u n ASN 50 Cb 0.58 -3.36 -0.14 0.00 1.23 0.00 0.00 39.78 38.09 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 -6.60 2.15 0.54 1.20 1.43 -1.00 -5.08 118.68 111.32 1r1u s LEU 51 Ca 0.34 -0.46 -0.21 0.00 -1.03 0.00 0.00 54.13 52.77 1r1u s LEU 51 Cb -0.12 -0.78 -0.05 0.00 0.03 0.00 0.00 46.19 45.27 1r1u s LEU 51 CO 0.86 0.10 1.30 -0.94 0.23 0.00 0.00 176.35 177.90 1r1u s SER 52 N -1.06 5.40 0.19 2.29 1.04 -1.26 -4.39 113.70 115.91 1r1u s SER 52 Ca 0.04 2.62 -0.12 0.00 0.48 0.00 0.00 55.95 58.97 1r1u s SER 52 Cb -0.08 -2.62 0.14 0.00 0.10 0.00 0.00 66.02 63.56 1r1u s SER 52 CO 0.01 -1.47 1.81 1.56 0.98 0.00 0.00 173.24 176.14 1r1u h GLN 53 N 1.45 0.62 -0.78 4.02 4.20 -1.93 0.25 115.11 122.94 1r1u h GLN 53 Ca -0.51 -0.04 0.09 0.00 0.06 0.00 0.00 58.65 58.25 1r1u h GLN 53 Cb 1.29 -0.14 -0.07 0.00 0.30 0.00 0.00 27.48 28.86 1r1u h GLN 53 CO 0.57 0.41 0.44 0.66 -0.67 0.00 0.00 178.83 180.24 1r1u h SER 54 N 0.64 0.62 0.17 1.46 4.64 -1.99 -0.87 113.55 118.21 1r1u h SER 54 Ca 0.23 0.05 -0.01 0.00 -0.47 0.00 0.00 61.79 61.59 1r1u h SER 54 Cb 0.06 -0.07 0.00 0.00 -0.31 0.00 0.00 62.40 62.08 1r1u h SER 54 CO -0.12 0.37 -0.08 -1.13 -0.87 0.00 0.00 176.83 175.00 1r1u h ASN 55 N 0.75 -0.19 -0.50 4.97 -1.24 -1.73 -2.39 115.58 115.26 1r1u h ASN 55 Ca 0.37 -0.13 0.10 0.00 0.71 0.00 0.00 56.30 57.35 1r1u h ASN 55 Cb 0.32 0.05 -0.10 0.00 0.73 0.00 0.00 38.32 39.32 1r1u h ASN 55 CO -0.24 0.02 -0.21 0.58 -1.29 0.00 0.00 177.43 176.30 1r1u h VAL 56 N -0.39 0.36 -0.80 2.57 2.07 -0.78 0.09 116.25 119.37 1r1u h VAL 56 Ca -0.02 0.00 0.02 0.00 0.82 0.00 0.00 66.70 67.52 1r1u h VAL 56 Cb 0.31 0.36 -0.04 0.00 -1.52 0.00 0.00 31.29 30.40 1r1u h VAL 56 CO 0.04 0.00 0.52 0.28 0.02 0.00 0.00 177.57 178.43 1r1u h SER 57 N -0.10 0.89 -0.59 0.57 0.02 -1.18 0.18 113.55 113.34 1r1u h SER 57 Ca 0.23 -0.01 0.03 0.00 -0.84 0.00 0.00 61.79 61.19 1r1u h SER 57 Cb 0.46 -0.21 -0.04 0.00 0.14 0.00 0.00 62.40 62.75 1r1u h SER 57 CO -0.56 0.63 0.36 -0.74 -1.14 0.00 0.00 176.83 175.38 1r1u h HIS 58 N 1.04 0.68 -0.01 3.45 6.17 -0.52 -1.68 115.15 124.29 1r1u h HIS 58 Ca 0.31 0.02 -0.16 0.00 0.71 0.00 0.00 60.37 61.25 1r1u h HIS 58 Cb -0.06 -0.22 -0.02 0.00 2.52 0.00 0.00 27.41 29.63 1r1u h HIS 58 CO -0.02 0.39 -0.72 1.96 0.71 0.00 0.00 177.93 180.24 1r1u h GLN 59 N 0.72 0.06 -0.16 5.26 1.08 -0.40 -2.80 115.11 118.87 1r1u h GLN 59 Ca 0.24 -0.06 -0.16 0.00 -1.45 0.00 0.00 58.65 57.22 1r1u h GLN 59 Cb 0.02 0.01 -0.01 0.00 -0.05 0.00 0.00 27.48 27.46 1r1u h GLN 59 CO -0.10 0.76 -0.59 -0.07 -0.95 0.00 0.00 178.83 177.88 1r1u h LEU 60 N 0.04 0.59 -0.63 1.46 3.38 -0.82 -0.34 115.31 118.99 1r1u h LEU 60 Ca -0.01 -0.33 -0.12 0.00 0.09 0.00 0.00 57.88 57.51 1r1u h LEU 60 Cb 1.28 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 41.84 1r1u h LEU 60 CO 0.10 1.04 -0.18 0.50 0.09 0.00 0.00 178.44 179.99 1r1u h LYS 61 N 0.39 0.89 0.06 1.13 3.64 -1.19 0.21 116.57 121.69 1r1u h LYS 61 Ca -0.00 -0.35 -0.00 0.00 -1.27 0.00 0.00 60.65 59.03 1r1u h LYS 61 Cb 1.13 -0.05 0.00 0.00 -0.41 0.00 0.00 32.23 32.91 1r1u h LYS 61 CO 0.11 0.99 -0.03 1.25 -2.27 0.00 0.00 179.45 179.50 1r1u h LEU 62 N 0.78 -0.07 -1.31 5.20 5.85 -1.37 -1.58 115.31 122.81 1r1u h LEU 62 Ca 0.11 -0.22 0.07 0.00 0.84 0.00 0.00 57.88 58.68 1r1u h LEU 62 Cb 0.72 0.02 -0.05 0.00 0.37 0.00 0.00 40.66 41.72 1r1u h LEU 62 CO 0.06 0.18 0.51 -0.07 -0.34 0.00 0.00 178.44 178.78 1r1u h LEU 63 N -0.32 0.73 -0.27 2.25 3.38 -0.87 -2.74 115.31 117.47 1r1u h LEU 63 Ca -0.01 0.00 -0.21 0.00 0.09 0.00 0.00 57.88 57.76 1r1u h LEU 63 Cb 0.28 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 40.88 1r1u h LEU 63 CO 0.01 0.47 -0.82 0.50 0.09 0.00 0.00 178.44 178.69 1r1u h LYS 64 N 0.83 0.47 0.00 1.13 3.64 -0.45 -1.72 116.57 120.48 1r1u h LYS 64 Ca 0.34 -0.43 -0.01 0.00 -1.27 0.00 0.00 60.65 59.28 1r1u h LYS 64 Cb 0.25 0.10 -0.00 0.00 -0.41 0.00 0.00 32.23 32.17 1r1u h LYS 64 CO -0.12 1.07 -0.05 0.66 -2.27 0.00 0.00 179.45 178.75 1r1u h SER 65 N 0.30 0.00 -0.49 4.20 4.64 -0.97 -1.18 113.55 120.05 1r1u h SER 65 Ca -0.05 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.27 1r1u h SER 65 Cb 1.43 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.52 1r1u h SER 65 CO 0.15 0.05 0.00 1.33 -0.87 0.00 0.00 176.83 177.48 1r1u n VAL 66 N -3.82 1.92 -3.13 0.95 0.24 -1.15 -4.99 118.33 108.34 1r1u n VAL 66 Ca -0.03 -1.37 -0.18 0.00 -2.04 0.00 0.00 64.34 60.73 1r1u n VAL 66 Cb 0.14 0.05 0.05 0.00 -1.47 0.00 0.00 33.84 32.60 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 0.53 -1.92 0.00 6.34 -0.00 -0.45 -4.80 115.22 114.92 1r1u n HIS 67 Ca 0.22 0.62 0.05 0.00 -0.00 0.00 0.00 57.72 58.62 1r1u n HIS 67 Cb 0.85 -3.93 -0.12 0.00 -0.00 0.00 0.00 29.99 26.78 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 -3.62 0.32 -4.04 2.41 4.77 -0.67 -4.71 117.00 111.46 1r1u n LEU 68 Ca -0.03 0.13 -0.12 0.00 -0.03 0.00 0.00 56.01 55.95 1r1u n LEU 68 Cb 0.57 0.10 -0.11 0.00 -2.33 0.00 0.00 43.42 41.64 1r1u n LEU 68 CO 0.44 0.09 -0.39 0.68 -1.33 0.00 0.00 177.39 176.87 1r1u s VAL 69 N -3.18 0.46 0.39 4.08 -7.23 -1.24 -1.41 120.40 112.27 1r1u s VAL 69 Ca -0.06 -1.01 0.06 0.00 -1.81 0.00 0.00 61.98 59.16 1r1u s VAL 69 Cb 0.11 -0.54 -0.08 0.00 0.56 0.00 0.00 36.38 36.43 1r1u s VAL 69 CO 0.85 -0.38 0.02 -1.59 -0.31 0.00 0.00 175.10 173.69 1r1u s LYS 70 N -1.50 1.89 -0.02 4.82 -2.85 0.77 -4.30 119.74 118.55 1r1u s LYS 70 Ca -0.11 -2.06 0.03 0.00 -1.00 0.00 0.00 55.97 52.83 1r1u s LYS 70 Cb -0.10 -1.46 0.00 0.00 -2.06 0.00 0.00 37.83 34.22 1r1u s LYS 70 CO 0.00 -0.08 -0.09 0.00 0.10 0.00 0.00 175.35 175.28 1r1u s ALA 71 N -2.85 0.87 -0.05 0.59 0.00 -1.26 -1.55 121.76 117.52 1r1u s ALA 71 Ca 0.35 -0.36 -0.02 0.00 0.00 0.00 0.00 51.96 51.94 1r1u s ALA 71 Cb 0.10 -0.30 0.03 0.00 0.00 0.00 0.00 23.12 22.95 1r1u s ALA 71 CO 0.17 0.15 0.09 0.21 0.00 0.00 0.00 175.76 176.38 1r1u s LYS 72 N 0.11 -0.01 0.49 0.00 2.20 -0.48 -4.93 119.74 117.13 1r1u s LYS 72 Ca -0.02 0.34 -0.23 0.00 -0.36 0.00 0.00 55.97 55.70 1r1u s LYS 72 Cb -0.08 -0.30 -0.06 0.00 -1.51 0.00 0.00 37.83 35.88 1r1u s LYS 72 CO 0.00 -0.23 1.34 0.50 -0.36 0.00 0.00 175.35 176.61 1r1u s ARG 73 N 1.55 3.45 -0.36 4.03 3.52 -1.26 -1.91 118.95 127.97 1r1u s ARG 73 Ca -0.04 2.21 0.02 0.00 -0.13 0.00 0.00 55.73 57.79 1r1u s ARG 73 Cb -0.12 -2.43 0.15 0.00 -1.56 0.00 0.00 34.95 30.98 1r1u s ARG 73 CO -0.04 -0.93 0.33 -1.14 -0.81 0.00 0.00 175.30 172.71 1r1u s GLN 74 N -2.69 0.61 5.85 5.12 2.00 -0.95 -4.89 119.66 124.70 1r1u s GLN 74 Ca 0.66 -0.95 0.00 0.00 -2.00 0.00 0.00 55.36 53.07 1r1u s GLN 74 Cb -0.39 -0.86 0.00 0.00 0.80 0.00 0.00 33.01 32.55 1r1u s GLN 74 CO 0.48 -1.19 0.00 0.41 -0.50 0.00 0.00 175.29 174.49 1r1u n GLY 75 N 4.23 1.31 0.10 2.59 0.00 -1.26 -3.32 105.19 108.85 1r1u n GLY 75 Ca 0.11 0.30 0.09 0.00 0.00 0.00 0.00 46.02 46.52 1r1u n GLY 75 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1r1u n GLN 76 N 0.00 0.61 -4.57 1.61 6.02 -1.26 -4.99 117.38 114.81 1r1u n GLN 76 Ca 0.00 0.12 -0.27 0.00 -0.01 0.00 0.00 57.00 56.84 1r1u n GLN 76 Cb 0.00 -1.80 -0.09 0.00 1.02 0.00 0.00 30.24 29.38 1r1u n GLN 76 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 177.06 176.50 1r1u s SER 77 N -5.37 3.09 -0.18 1.08 0.15 -1.21 -5.13 113.70 106.12 1r1u s SER 77 Ca -0.02 -1.60 -0.07 0.00 0.70 0.00 0.00 55.95 54.97 1r1u s SER 77 Cb 0.10 0.36 -0.04 0.00 -1.71 0.00 0.00 66.02 64.73 1r1u s SER 77 CO 0.80 -0.83 0.04 -0.04 1.20 0.00 0.00 173.24 174.42 1r1u s MET 78 N -3.78 3.90 -0.20 5.44 -1.94 -1.26 -2.24 119.30 119.22 1r1u s MET 78 Ca 0.22 -0.38 -0.07 0.00 -1.71 0.00 0.00 55.69 53.75 1r1u s MET 78 Cb 0.04 -3.16 -0.04 0.00 2.01 0.00 0.00 34.83 33.68 1r1u s MET 78 CO 0.12 0.25 0.06 0.42 -0.01 0.00 0.00 175.02 175.86 1r1u s ILE 79 N 0.43 4.60 0.06 2.53 -1.09 -0.80 -4.31 121.20 122.62 1r1u s ILE 79 Ca 0.02 -0.09 -0.05 0.00 -2.23 0.00 0.00 60.65 58.30 1r1u s ILE 79 Cb -0.13 -3.10 -0.05 0.00 -1.58 0.00 0.00 42.46 37.61 1r1u s ILE 79 CO 0.01 0.42 0.29 -0.31 -1.23 0.00 0.00 174.94 174.11 1r1u s TYR 80 N 0.78 3.53 0.01 3.97 2.02 0.01 -1.38 117.35 126.29 1r1u s TYR 80 Ca 0.03 0.49 -0.17 0.00 -0.37 0.00 0.00 57.07 57.05 1r1u s TYR 80 Cb -0.14 -1.94 0.03 0.00 -0.40 0.00 0.00 41.96 39.51 1r1u s TYR 80 CO 0.02 0.56 0.38 -1.54 -1.57 0.00 0.00 175.55 173.40 1r1u s SER 81 N -2.09 -0.26 0.46 2.29 1.04 -0.59 -1.00 113.70 113.55 1r1u s SER 81 Ca 0.33 0.08 -0.23 0.00 0.48 0.00 0.00 55.95 56.62 1r1u s SER 81 Cb -0.13 0.38 -0.10 0.00 0.10 0.00 0.00 66.02 66.27 1r1u s SER 81 CO 0.21 -0.56 0.93 0.18 0.98 0.00 0.00 173.24 174.99 1r1u n LEU 82 N 0.90 2.45 0.01 2.42 4.32 -1.26 -0.16 117.00 125.67 1r1u n LEU 82 Ca -0.20 0.96 -0.13 0.00 -0.02 0.00 0.00 56.01 56.63 1r1u n LEU 82 Cb 0.58 -1.33 -0.09 0.00 -1.62 0.00 0.00 43.42 40.96 1r1u n LEU 82 CO 0.22 -1.77 0.72 -0.78 -1.22 0.00 0.00 177.39 174.56 1r1u h ASP 83 N 1.21 -0.01 -2.48 -1.43 3.58 -1.52 -3.41 116.42 112.36 1r1u h ASP 83 Ca -0.45 -0.29 -0.06 0.00 0.42 0.00 0.00 57.03 56.65 1r1u h ASP 83 Cb 1.35 0.00 -0.01 0.00 1.72 0.00 0.00 39.33 42.40 1r1u h ASP 83 CO 0.55 0.28 0.10 -0.90 -2.88 0.00 0.00 179.24 176.38 1r1u n ASP 84 N -4.96 -1.27 0.25 2.28 3.85 -1.26 -4.87 116.55 110.57 1r1u n ASP 84 Ca -0.08 -2.05 0.11 0.00 -0.71 0.00 0.00 54.79 52.06 1r1u n ASP 84 Cb 0.16 2.17 0.67 0.00 -1.35 0.00 0.00 41.12 42.77 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 1.62 0.74 -0.49 2.12 2.10 -1.99 -1.93 117.51 119.69 1r1u h ILE 85 Ca -0.20 -0.54 -0.12 0.00 1.08 0.00 0.00 64.86 65.08 1r1u h ILE 85 Cb 0.76 1.33 -0.01 0.00 -1.09 0.00 0.00 36.82 37.81 1r1u h ILE 85 CO 0.26 0.13 -0.17 0.45 -1.08 0.00 0.00 178.15 177.74 1r1u h HIS 86 N 0.00 1.12 -0.12 2.19 3.86 -1.98 0.65 115.15 120.86 1r1u h HIS 86 Ca -0.00 -0.26 -0.06 0.00 -1.16 0.00 0.00 60.37 58.89 1r1u h HIS 86 Cb 0.32 -0.27 -0.00 0.00 1.06 0.00 0.00 27.41 28.52 1r1u h HIS 86 CO 0.00 1.07 -0.14 0.28 0.86 0.00 0.00 177.93 180.00 1r1u h VAL 87 N 0.84 1.36 -0.78 2.45 2.07 -1.81 -0.47 116.25 119.91 1r1u h VAL 87 Ca 0.12 -1.34 0.05 0.00 0.82 0.00 0.00 66.70 66.35 1r1u h VAL 87 Cb 0.75 1.96 -0.05 0.00 -1.52 0.00 0.00 31.29 32.42 1r1u h VAL 87 CO 0.06 0.39 0.48 0.00 0.02 0.00 0.00 177.57 178.52 1r1u h ALA 88 N 0.58 1.05 -0.33 1.67 0.00 -1.33 -1.42 119.26 119.47 1r1u h ALA 88 Ca 0.02 -0.01 -0.14 0.00 0.00 0.00 0.00 54.91 54.77 1r1u h ALA 88 Cb 0.69 -0.22 -0.00 0.00 0.00 0.00 0.00 17.79 18.25 1r1u h ALA 88 CO 0.03 0.23 -0.36 1.15 0.00 0.00 0.00 179.25 180.31 1r1u h THR 89 N 0.90 1.29 -0.27 0.00 2.02 -0.70 0.59 112.91 116.74 1r1u h THR 89 Ca 0.33 -1.53 0.02 0.00 0.77 0.00 0.00 66.41 66.00 1r1u h THR 89 Cb 0.11 1.50 -0.03 0.00 -1.74 0.00 0.00 68.15 67.99 1r1u h THR 89 CO -0.15 0.50 0.11 -0.03 0.37 0.00 0.00 175.52 176.32 1r1u h MET 90 N 0.61 0.23 -0.32 6.66 -1.53 -0.87 -1.41 114.93 118.30 1r1u h MET 90 Ca 0.05 -0.01 -0.03 0.00 -3.44 0.00 0.00 59.70 56.27 1r1u h MET 90 Cb 0.94 -0.05 -0.01 0.00 -0.55 0.00 0.00 31.60 31.93 1r1u h MET 90 CO 0.09 0.16 0.09 1.25 0.14 0.00 0.00 176.91 178.64 1r1u h LEU 91 N 0.24 0.48 -0.79 3.39 5.85 -0.98 -1.68 115.31 121.82 1r1u h LEU 91 Ca 0.11 -0.21 -0.13 0.00 0.84 0.00 0.00 57.88 58.50 1r1u h LEU 91 Cb 0.06 -0.13 -0.01 0.00 0.37 0.00 0.00 40.66 40.96 1r1u h LEU 91 CO -0.10 0.56 -0.48 0.11 -0.34 0.00 0.00 178.44 178.19 1r1u h LYS 92 N 0.37 0.29 -0.19 1.25 1.57 -0.73 -1.64 116.57 117.50 1r1u h LYS 92 Ca 0.10 -0.16 -0.21 0.00 -1.87 0.00 0.00 60.65 58.51 1r1u h LYS 92 Cb 0.26 0.01 0.01 0.00 0.08 0.00 0.00 32.23 32.59 1r1u h LYS 92 CO -0.00 0.71 -0.71 1.96 -0.57 0.00 0.00 179.45 180.84 1r1u h GLN 93 N 0.24 0.79 -0.59 3.15 1.08 -1.05 -1.72 115.11 117.00 1r1u h GLN 93 Ca 0.01 -0.60 0.02 0.00 -1.45 0.00 0.00 58.65 56.63 1r1u h GLN 93 Cb 0.94 0.11 -0.03 0.00 -0.05 0.00 0.00 27.48 28.45 1r1u h GLN 93 CO 0.08 1.22 0.37 0.00 -0.95 0.00 0.00 178.83 179.55 1r1u h ALA 94 N 0.62 0.76 -0.40 3.87 0.00 -1.07 -0.47 119.26 122.58 1r1u h ALA 94 Ca -0.03 -0.02 -0.05 0.00 0.00 0.00 0.00 54.91 54.81 1r1u h ALA 94 Cb 1.33 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 18.91 1r1u h ALA 94 CO 0.15 0.13 0.07 0.82 0.00 0.00 0.00 179.25 180.42 1r1u h ILE 95 N 0.75 1.24 -0.32 0.00 2.04 -1.25 -0.20 117.51 119.77 1r1u h ILE 95 Ca 0.23 -0.85 0.02 0.00 1.00 0.00 0.00 64.86 65.26 1r1u h ILE 95 Cb -0.02 1.03 -0.03 0.00 -0.74 0.00 0.00 36.82 37.06 1r1u h ILE 95 CO -0.08 0.29 0.15 -0.74 0.00 0.00 0.00 178.15 177.77 1r1u h HIS 96 N 0.50 0.27 -0.74 1.37 2.76 -1.10 0.11 115.15 118.33 1r1u h HIS 96 Ca 0.12 0.01 0.03 0.00 -2.20 0.00 0.00 60.37 58.33 1r1u h HIS 96 Cb 0.36 -0.08 -0.04 0.00 1.55 0.00 0.00 27.41 29.20 1r1u h HIS 96 CO 0.02 0.14 0.47 1.25 -1.30 0.00 0.00 177.93 178.51 1r1u h HIS 97 N 0.31 0.88 -0.03 5.26 -0.00 -0.85 -1.59 115.15 119.13 1r1u h HIS 97 Ca 0.13 0.02 -0.04 0.00 -0.00 0.00 0.00 60.37 60.49 1r1u h HIS 97 Cb 0.06 -0.29 -0.01 0.00 -0.00 0.00 0.00 27.41 27.18 1r1u h HIS 97 CO -0.11 0.51 -0.17 0.00 -0.00 0.00 0.00 177.93 178.16 1r1u h ALA 98 N 1.31 1.67 0.00 5.26 0.00 -0.32 -2.84 119.26 124.33 1r1u h ALA 98 Ca 0.29 -0.17 -0.04 0.00 0.00 0.00 0.00 54.91 54.99 1r1u h ALA 98 Cb -0.00 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 17.74 1r1u h ALA 98 CO -0.10 0.25 -0.18 -0.97 0.00 0.00 0.00 179.25 178.24 1r1u h ASN 99 N 0.04 0.00 -1.04 0.00 -0.00 0.22 -3.48 115.58 111.32 1r1u h ASN 99 Ca 0.01 0.00 -0.60 0.00 -0.00 0.00 0.00 56.30 55.71 1r1u h ASN 99 Cb 0.33 0.00 -0.09 0.00 -0.00 0.00 0.00 38.32 38.56 1r1u h ASN 99 CO 0.02 0.18 -0.45 -1.00 -0.00 0.00 0.00 177.43 176.18 1r1u s HIS 100 N -3.48 2.17 0.00 0.67 3.76 -1.08 -5.10 115.29 112.24 1r1u s HIS 100 Ca 0.02 -0.74 0.00 0.00 -0.15 0.00 0.00 55.06 54.19 1r1u s HIS 100 Cb 0.09 -1.86 0.00 0.00 1.11 0.00 0.00 32.58 31.92 1r1u s HIS 100 CO 0.64 0.03 0.00 -2.30 -0.85 0.00 0.00 174.74 172.26