#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 1.30 0.20 -0.44 2.02 -2.05 0.14 112.91 114.07 1r1u h THR 10 Ca 0.00 -1.96 0.00 0.00 0.77 0.00 0.00 66.41 65.22 1r1u h THR 10 Cb 0.00 1.95 -0.01 0.00 -1.74 0.00 0.00 68.15 68.35 1r1u h THR 10 CO 0.00 0.62 -0.17 -0.78 0.37 0.00 0.00 175.52 175.56 1r1u h ASP 11 N 0.50 -0.44 -0.58 4.18 1.82 -2.05 -2.71 116.42 117.14 1r1u h ASP 11 Ca -0.04 0.04 0.09 0.00 -0.39 0.00 0.00 57.03 56.74 1r1u h ASP 11 Cb 1.34 0.15 -0.07 0.00 0.68 0.00 0.00 39.33 41.43 1r1u h ASP 11 CO 0.15 -0.26 0.18 0.74 -1.61 0.00 0.00 179.24 178.44 1r1u h THR 12 N -0.39 0.74 0.00 2.25 2.02 -1.80 -1.63 112.91 114.11 1r1u h THR 12 Ca -0.01 -0.12 -0.13 0.00 0.77 0.00 0.00 66.41 66.93 1r1u h THR 12 Cb 0.35 0.37 -0.02 0.00 -1.74 0.00 0.00 68.15 67.11 1r1u h THR 12 CO -0.02 0.06 -0.62 -0.07 0.37 0.00 0.00 175.52 175.23 1r1u h LEU 13 N 0.34 0.00 -0.10 2.58 3.38 -0.97 0.09 115.31 120.62 1r1u h LEU 13 Ca 0.29 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.26 1r1u h LEU 13 Cb 0.38 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.13 1r1u h LEU 13 CO -0.33 0.62 0.05 -0.33 0.09 0.00 0.00 178.44 178.54 1r1u h GLU 14 N 0.00 0.15 -0.46 1.13 4.39 -1.23 -1.15 114.58 117.42 1r1u h GLU 14 Ca -0.01 -0.03 -0.07 0.00 0.34 0.00 0.00 59.36 59.60 1r1u h GLU 14 Cb 1.19 -0.03 -0.02 0.00 -0.10 0.00 0.00 28.75 29.79 1r1u h GLU 14 CO 0.08 0.24 0.01 0.00 -1.16 0.00 0.00 179.01 178.18 1r1u h ARG 15 N 0.03 0.74 -0.26 2.33 3.08 -1.08 -1.07 114.38 118.14 1r1u h ARG 15 Ca 0.04 -0.19 -0.15 0.00 0.07 0.00 0.00 59.98 59.74 1r1u h ARG 15 Cb 0.14 -0.09 -0.00 0.00 0.08 0.00 0.00 29.97 30.10 1r1u h ARG 15 CO -0.00 0.75 -0.43 -0.39 -1.07 0.00 0.00 179.97 178.83 1r1u h VAL 16 N 0.70 1.30 -0.55 2.04 -1.51 -0.92 -2.07 116.25 115.25 1r1u h VAL 16 Ca 0.14 -1.62 0.09 0.00 -1.23 0.00 0.00 66.70 64.08 1r1u h VAL 16 Cb 0.42 1.69 -0.11 0.00 -2.13 0.00 0.00 31.29 31.16 1r1u h VAL 16 CO 0.02 0.52 -0.38 0.74 -1.23 0.00 0.00 177.57 177.24 1r1u h THR 17 N 0.50 0.14 -0.41 7.19 2.02 -1.05 -0.53 112.91 120.76 1r1u h THR 17 Ca 0.02 0.00 0.09 0.00 0.77 0.00 0.00 66.41 67.29 1r1u h THR 17 Cb 1.03 0.14 -0.09 0.00 -1.74 0.00 0.00 68.15 67.49 1r1u h THR 17 CO 0.10 0.00 -0.22 -0.33 0.37 0.00 0.00 175.52 175.44 1r1u h GLU 18 N -0.21 -0.14 -0.18 6.66 5.08 -1.13 0.49 114.58 125.16 1r1u h GLU 18 Ca 0.20 0.01 0.05 0.00 -1.00 0.00 0.00 59.36 58.62 1r1u h GLU 18 Cb 0.56 0.03 -0.07 0.00 0.50 0.00 0.00 28.75 29.78 1r1u h GLU 18 CO -0.66 -0.09 -0.27 0.82 -1.00 0.00 0.00 179.01 177.81 1r1u h ILE 19 N -0.14 0.36 -0.32 3.13 2.04 -0.90 0.11 117.51 121.78 1r1u h ILE 19 Ca 0.20 0.00 -0.13 0.00 1.00 0.00 0.00 64.86 65.93 1r1u h ILE 19 Cb 0.45 0.36 -0.01 0.00 -0.74 0.00 0.00 36.82 36.87 1r1u h ILE 19 CO -0.50 0.00 -0.34 -0.26 0.00 0.00 0.00 178.15 177.05 1r1u h PHE 20 N -0.32 0.82 -0.60 1.37 0.04 -0.55 -2.10 116.94 115.61 1r1u h PHE 20 Ca 0.11 -0.22 0.04 0.00 2.80 0.00 0.00 57.97 60.70 1r1u h PHE 20 Cb 0.49 -0.18 -0.05 0.00 2.20 0.00 0.00 35.95 38.41 1r1u h PHE 20 CO -0.39 0.95 0.35 0.87 -0.60 0.00 0.00 178.31 179.49 1r1u h LYS 21 N 0.59 0.65 -0.43 1.51 1.57 -0.76 -1.28 116.57 118.42 1r1u h LYS 21 Ca 0.06 -0.04 0.02 0.00 -1.87 0.00 0.00 60.65 58.82 1r1u h LYS 21 Cb 0.86 -0.15 -0.02 0.00 0.08 0.00 0.00 32.23 33.00 1r1u h LYS 21 CO 0.07 0.43 0.29 0.00 -0.57 0.00 0.00 179.45 179.67 1r1u h ALA 22 N 1.29 1.76 0.00 3.86 0.00 -0.38 -1.93 119.26 123.86 1r1u h ALA 22 Ca 0.26 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.14 1r1u h ALA 22 Cb 0.10 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 17.74 1r1u h ALA 22 CO -0.14 0.20 -0.40 1.28 0.00 0.00 0.00 179.25 180.20 1r1u n LEU 23 N -4.48 0.40 -3.49 0.00 4.77 -0.67 -4.50 117.00 109.04 1r1u n LEU 23 Ca 0.04 0.11 -0.38 0.00 -0.03 0.00 0.00 56.01 55.75 1r1u n LEU 23 Cb 0.11 -0.30 -0.02 0.00 -2.33 0.00 0.00 43.42 40.87 1r1u n LEU 23 CO 0.35 0.09 2.76 0.61 -1.33 0.00 0.00 177.39 179.87 1r1u n GLY 24 N 1.49 3.84 3.60 -0.72 0.00 -0.57 -4.64 105.19 108.18 1r1u n GLY 24 Ca 0.06 -1.39 -0.03 0.00 0.00 0.00 0.00 46.02 44.67 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 3.22 -0.71 0.13 1.61 -1.08 -1.26 -5.06 116.67 113.52 1r1u s ASP 25 Ca 0.55 1.08 -0.23 0.00 -0.52 0.00 0.00 52.55 53.43 1r1u s ASP 25 Cb 0.15 1.49 -0.02 0.00 -1.46 0.00 0.00 42.92 43.08 1r1u s ASP 25 CO -0.04 -0.16 1.66 0.22 0.52 0.00 0.00 175.17 177.37 1r1u h TYR 26 N 6.84 -0.46 -0.04 -5.34 3.20 -1.98 -1.13 116.97 118.06 1r1u h TYR 26 Ca -0.25 0.02 -0.13 0.00 3.14 0.00 0.00 58.73 61.51 1r1u h TYR 26 Cb 1.17 0.22 -0.01 0.00 1.54 0.00 0.00 36.73 39.65 1r1u h TYR 26 CO 0.12 -0.25 -0.59 -0.91 -1.64 0.00 0.00 178.16 174.89 1r1u h ASN 27 N -0.23 0.15 0.01 -2.11 2.35 -1.97 -1.40 115.58 112.37 1r1u h ASN 27 Ca 0.09 -0.08 -0.08 0.00 -0.55 0.00 0.00 56.30 55.68 1r1u h ASN 27 Cb 0.37 -0.04 -0.01 0.00 0.05 0.00 0.00 38.32 38.68 1r1u h ASN 27 CO -0.25 0.70 -0.21 0.03 -1.65 0.00 0.00 177.43 176.05 1r1u h ARG 28 N 0.10 0.36 -0.14 0.81 3.08 -1.85 -2.07 114.38 114.66 1r1u h ARG 28 Ca -0.01 -0.11 -0.01 0.00 0.07 0.00 0.00 59.98 59.92 1r1u h ARG 28 Cb 1.07 -0.03 -0.01 0.00 0.08 0.00 0.00 29.97 31.08 1r1u h ARG 28 CO 0.08 0.56 0.03 0.82 -1.07 0.00 0.00 179.97 180.39 1r1u h ILE 29 N 0.32 1.21 -0.74 2.04 1.08 -0.88 -0.30 117.51 120.24 1r1u h ILE 29 Ca 0.05 -0.65 0.17 0.00 -0.39 0.00 0.00 64.86 64.04 1r1u h ILE 29 Cb 0.56 1.38 -0.13 0.00 -3.07 0.00 0.00 36.82 35.56 1r1u h ILE 29 CO 0.04 0.19 0.04 0.03 -0.69 0.00 0.00 178.15 177.76 1r1u h ARG 30 N 0.02 0.13 -0.46 2.37 3.08 -1.19 0.26 114.38 118.59 1r1u h ARG 30 Ca 0.04 -0.01 -0.07 0.00 0.07 0.00 0.00 59.98 60.01 1r1u h ARG 30 Cb 0.27 -0.03 -0.02 0.00 0.08 0.00 0.00 29.97 30.28 1r1u h ARG 30 CO 0.00 0.08 0.00 0.82 -1.07 0.00 0.00 179.97 179.81 1r1u h ILE 31 N 0.13 1.26 -0.37 2.04 2.04 -1.12 -1.37 117.51 120.12 1r1u h ILE 31 Ca 0.41 -1.05 -0.10 0.00 1.00 0.00 0.00 64.86 65.12 1r1u h ILE 31 Cb 0.72 1.02 -0.02 0.00 -0.74 0.00 0.00 36.82 37.81 1r1u h ILE 31 CO -0.63 0.37 -0.18 0.24 0.00 0.00 0.00 178.15 177.95 1r1u h MET 32 N 0.67 0.70 -0.23 2.37 2.86 -0.76 -0.95 114.93 119.60 1r1u h MET 32 Ca 0.13 -0.25 -0.15 0.00 -2.06 0.00 0.00 59.70 57.37 1r1u h MET 32 Cb 0.50 -0.05 -0.01 0.00 0.06 0.00 0.00 31.60 32.11 1r1u h MET 32 CO 0.02 0.84 -0.47 1.49 1.06 0.00 0.00 176.91 179.85 1r1u h GLU 33 N 0.62 0.59 -0.47 1.72 4.22 -0.27 -2.04 114.58 118.95 1r1u h GLU 33 Ca 0.10 -0.33 -0.12 0.00 0.08 0.00 0.00 59.36 59.08 1r1u h GLU 33 Cb 0.65 0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.91 1r1u h GLU 33 CO 0.05 0.93 -0.18 1.25 -2.18 0.00 0.00 179.01 178.88 1r1u h LEU 34 N 0.47 0.97 -1.65 1.64 5.85 -1.11 -3.07 115.31 118.41 1r1u h LEU 34 Ca 0.03 -0.39 -0.03 0.00 0.84 0.00 0.00 57.88 58.33 1r1u h LEU 34 Cb 1.00 -0.27 -0.00 0.00 0.37 0.00 0.00 40.66 41.76 1r1u h LEU 34 CO 0.09 1.13 -0.13 -0.07 -0.34 0.00 0.00 178.44 179.13 1r1u h LEU 35 N 0.79 0.00 -0.27 2.25 4.07 -0.95 -2.17 115.31 119.04 1r1u h LEU 35 Ca 0.11 0.00 0.00 0.00 0.08 0.00 0.00 57.88 58.07 1r1u h LEU 35 Cb 0.75 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.49 1r1u h LEU 35 CO 0.06 0.13 0.00 0.77 -1.08 0.00 0.00 178.44 178.32 1r1u h SER 36 N 0.00 0.00 0.07 -0.43 4.64 -1.28 -3.14 113.55 113.42 1r1u h SER 36 Ca -0.00 0.00 -0.21 0.00 -0.47 0.00 0.00 61.79 61.11 1r1u h SER 36 Cb 0.48 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.56 1r1u h SER 36 CO 0.02 0.00 -1.06 0.58 -0.87 0.00 0.00 176.83 175.50 1r1u h VAL 37 N 0.00 1.19 -1.65 0.95 2.07 -1.43 -3.49 116.25 113.90 1r1u h VAL 37 Ca 0.00 -2.35 0.08 0.00 0.82 0.00 0.00 66.70 65.25 1r1u h VAL 37 Cb 0.81 2.77 -0.26 0.00 -1.52 0.00 0.00 31.29 33.09 1r1u h VAL 37 CO 0.00 0.60 0.31 -0.55 0.02 0.00 0.00 177.57 177.95 1r1u s SER 38 N -6.83 -0.60 0.98 0.57 0.15 -0.87 -5.14 113.70 101.97 1r1u s SER 38 Ca -0.21 0.98 -0.14 0.00 0.70 0.00 0.00 55.95 57.28 1r1u s SER 38 Cb 0.03 1.21 0.05 0.00 -1.71 0.00 0.00 66.02 65.60 1r1u s SER 38 CO 0.72 -0.16 0.32 -1.84 1.20 0.00 0.00 173.24 173.48 1r1u n GLU 39 N 3.64 -0.54 -3.60 5.44 0.28 -1.25 -4.24 120.64 120.37 1r1u n GLU 39 Ca -0.18 -0.12 -0.08 0.00 -0.16 0.00 0.00 57.16 56.62 1r1u n GLU 39 Cb 0.58 -1.82 -0.05 0.00 1.43 0.00 0.00 31.44 31.58 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 -2.36 -1.99 0.54 -1.84 0.00 -0.46 -4.92 121.76 110.73 1r1u s ALA 40 Ca 0.56 1.68 -0.10 0.00 0.00 0.00 0.00 51.96 54.10 1r1u s ALA 40 Cb -0.19 -0.94 -0.05 0.00 0.00 0.00 0.00 23.12 21.94 1r1u s ALA 40 CO 0.67 -0.30 0.92 -1.54 0.00 0.00 0.00 175.76 175.52 1r1u s SER 41 N -1.12 6.32 0.19 0.00 1.04 -1.26 -0.28 113.70 118.59 1r1u s SER 41 Ca 0.02 1.26 -0.19 0.00 0.48 0.00 0.00 55.95 57.52 1r1u s SER 41 Cb -0.01 -2.39 0.16 0.00 0.10 0.00 0.00 66.02 63.88 1r1u s SER 41 CO -0.02 -0.70 1.60 0.58 0.98 0.00 0.00 173.24 175.68 1r1u h VAL 42 N 0.15 0.21 -0.92 5.02 2.07 -2.00 -1.40 116.25 119.38 1r1u h VAL 42 Ca -0.46 0.00 0.11 0.00 0.82 0.00 0.00 66.70 67.18 1r1u h VAL 42 Cb 1.19 0.21 -0.07 0.00 -1.52 0.00 0.00 31.29 31.11 1r1u h VAL 42 CO 0.62 0.00 0.59 1.23 0.02 0.00 0.00 177.57 180.03 1r1u h GLY 43 N -0.12 1.36 1.74 2.17 0.00 -1.93 -2.00 103.07 104.28 1r1u h GLY 43 Ca 0.26 -0.37 -0.25 0.00 0.00 0.00 0.00 47.33 46.97 1r1u h GLY 43 CO -0.68 0.17 -1.13 0.84 0.00 0.00 0.00 176.54 175.74 1r1u h HIS 44 N 0.88 0.36 -0.08 5.60 6.17 -1.66 -2.29 115.15 124.12 1r1u h HIS 44 Ca 0.44 -0.25 -0.00 0.00 0.71 0.00 0.00 60.37 61.27 1r1u h HIS 44 Cb 0.49 -0.02 -0.00 0.00 2.52 0.00 0.00 27.41 30.40 1r1u h HIS 44 CO -0.00 1.17 0.04 0.82 0.71 0.00 0.00 177.93 180.67 1r1u h ILE 45 N 0.07 1.09 -0.48 6.26 2.04 -0.84 -0.86 117.51 124.79 1r1u h ILE 45 Ca -0.09 -0.27 0.06 0.00 1.00 0.00 0.00 64.86 65.57 1r1u h ILE 45 Cb 1.86 1.13 -0.05 0.00 -0.74 0.00 0.00 36.82 39.01 1r1u h ILE 45 CO 0.18 0.08 0.16 -1.28 0.00 0.00 0.00 178.15 177.29 1r1u h SER 46 N 0.02 0.16 0.17 1.72 0.87 -1.35 -0.15 113.55 114.99 1r1u h SER 46 Ca 0.03 0.06 -0.01 0.00 -1.23 0.00 0.00 61.79 60.64 1r1u h SER 46 Cb 0.09 0.05 0.00 0.00 -0.44 0.00 0.00 62.40 62.10 1r1u h SER 46 CO -0.00 0.12 -0.08 -0.74 -0.53 0.00 0.00 176.83 175.60 1r1u h HIS 47 N 0.34 -0.21 -0.68 2.24 -0.00 -1.22 0.03 115.15 115.65 1r1u h HIS 47 Ca 0.23 -0.00 -0.02 0.00 -0.00 0.00 0.00 60.37 60.57 1r1u h HIS 47 Cb 0.24 0.07 -0.03 0.00 -0.00 0.00 0.00 27.41 27.68 1r1u h HIS 47 CO -0.16 0.06 0.35 0.37 -0.00 0.00 0.00 177.93 178.55 1r1u h GLN 48 N -0.46 0.94 -0.01 5.26 5.75 -0.72 -3.23 115.11 122.64 1r1u h GLN 48 Ca -0.02 -0.11 0.00 0.00 -0.15 0.00 0.00 58.65 58.37 1r1u h GLN 48 Cb 0.36 -0.18 0.00 0.00 1.07 0.00 0.00 27.48 28.72 1r1u h GLN 48 CO 0.04 0.71 -0.66 1.28 -2.65 0.00 0.00 178.83 177.54 1r1u n LEU 49 N -4.36 1.56 -3.37 -2.39 4.77 -0.11 -5.00 117.00 108.11 1r1u n LEU 49 Ca 0.07 -0.65 -0.17 0.00 -0.03 0.00 0.00 56.01 55.22 1r1u n LEU 49 Cb 0.11 0.00 0.08 0.00 -2.33 0.00 0.00 43.42 41.28 1r1u n LEU 49 CO 0.38 0.32 0.06 -3.20 -1.33 0.00 0.00 177.39 173.61 1r1u n ASN 50 N -0.63 -4.29 -4.18 -1.43 4.05 -0.03 -5.03 115.26 103.72 1r1u n ASN 50 Ca 0.07 -0.69 -0.21 0.00 0.45 0.00 0.00 54.58 54.20 1r1u n ASN 50 Cb 0.39 -5.06 -0.13 0.00 1.23 0.00 0.00 39.78 36.21 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 -5.92 2.22 0.74 1.20 1.43 -1.03 -5.07 118.68 112.24 1r1u s LEU 51 Ca 0.23 -0.54 -0.12 0.00 -1.03 0.00 0.00 54.13 52.67 1r1u s LEU 51 Cb -0.03 -0.67 0.04 0.00 0.03 0.00 0.00 46.19 45.56 1r1u s LEU 51 CO 0.74 0.03 1.11 -0.94 0.23 0.00 0.00 176.35 177.52 1r1u s SER 52 N -1.40 4.60 0.18 2.29 1.04 -1.26 -4.33 113.70 114.81 1r1u s SER 52 Ca 0.02 1.95 0.00 0.00 0.48 0.00 0.00 55.95 58.40 1r1u s SER 52 Cb -0.09 -2.54 0.07 0.00 0.10 0.00 0.00 66.02 63.56 1r1u s SER 52 CO 0.02 -1.98 1.43 1.56 0.98 0.00 0.00 173.24 175.26 1r1u h GLN 53 N -0.69 0.32 -0.52 4.02 4.20 -1.94 0.30 115.11 120.80 1r1u h GLN 53 Ca -0.45 -0.28 -0.08 0.00 0.06 0.00 0.00 58.65 57.90 1r1u h GLN 53 Cb 1.24 0.06 -0.02 0.00 0.30 0.00 0.00 27.48 29.06 1r1u h GLN 53 CO 0.52 0.94 0.00 0.66 -0.67 0.00 0.00 178.83 180.28 1r1u h SER 54 N 0.21 0.85 0.73 1.46 4.64 -1.99 0.08 113.55 119.53 1r1u h SER 54 Ca -0.03 -0.22 -0.04 0.00 -0.47 0.00 0.00 61.79 61.04 1r1u h SER 54 Cb 1.33 -0.23 0.01 0.00 -0.31 0.00 0.00 62.40 63.21 1r1u h SER 54 CO 0.12 0.91 -0.35 -1.13 -0.87 0.00 0.00 176.83 175.51 1r1u h ASN 55 N 0.82 -0.83 -0.96 4.97 -1.24 -1.85 -0.83 115.58 115.65 1r1u h ASN 55 Ca 0.16 0.01 0.13 0.00 0.71 0.00 0.00 56.30 57.30 1r1u h ASN 55 Cb 0.48 0.22 -0.14 0.00 0.73 0.00 0.00 38.32 39.60 1r1u h ASN 55 CO 0.02 -0.50 -0.44 0.52 -1.29 0.00 0.00 177.43 175.75 1r1u n VAL 56 N -5.46 -0.56 -0.05 2.57 0.31 0.06 -0.43 118.33 114.79 1r1u n VAL 56 Ca -0.13 2.28 0.01 0.00 -0.01 0.00 0.00 64.34 66.49 1r1u n VAL 56 Cb 0.40 -2.95 0.31 0.00 -0.91 0.00 0.00 33.84 30.69 1r1u n VAL 56 CO 0.00 0.00 0.00 0.28 -1.32 0.00 0.00 176.83 175.79 1r1u h SER 57 N 0.00 0.57 -0.28 4.52 0.02 -0.92 0.57 113.55 118.03 1r1u h SER 57 Ca 0.28 -0.07 -0.02 0.00 -0.84 0.00 0.00 61.79 61.14 1r1u h SER 57 Cb 0.52 -0.15 -0.01 0.00 0.14 0.00 0.00 62.40 62.90 1r1u h SER 57 CO -0.94 0.54 0.10 -0.74 -1.14 0.00 0.00 176.83 174.65 1r1u h HIS 58 N 0.63 0.45 -0.16 3.45 6.17 0.19 -1.40 115.15 124.48 1r1u h HIS 58 Ca 0.15 -0.04 -0.13 0.00 0.71 0.00 0.00 60.37 61.06 1r1u h HIS 58 Cb 0.16 -0.13 -0.01 0.00 2.52 0.00 0.00 27.41 29.95 1r1u h HIS 58 CO 0.01 0.47 -0.47 1.96 0.71 0.00 0.00 177.93 180.61 1r1u h GLN 59 N 0.30 0.40 -0.14 5.26 1.08 -0.18 -2.47 115.11 119.36 1r1u h GLN 59 Ca 0.09 -0.22 -0.15 0.00 -1.45 0.00 0.00 58.65 56.92 1r1u h GLN 59 Cb 0.22 0.01 -0.01 0.00 -0.05 0.00 0.00 27.48 27.66 1r1u h GLN 59 CO -0.00 0.79 -0.56 -0.07 -0.95 0.00 0.00 178.83 178.04 1r1u h LEU 60 N 0.32 0.47 -0.71 1.46 3.38 -0.86 -1.06 115.31 118.32 1r1u h LEU 60 Ca 0.02 -0.25 -0.11 0.00 0.09 0.00 0.00 57.88 57.63 1r1u h LEU 60 Cb 0.95 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 41.55 1r1u h LEU 60 CO 0.08 0.93 -0.14 0.50 0.09 0.00 0.00 178.44 179.90 1r1u h LYS 61 N 0.33 0.85 -0.39 1.13 3.64 -1.02 -0.19 116.57 120.92 1r1u h LYS 61 Ca 0.00 -0.31 -0.03 0.00 -1.27 0.00 0.00 60.65 59.04 1r1u h LYS 61 Cb 1.07 -0.06 -0.02 0.00 -0.41 0.00 0.00 32.23 32.82 1r1u h LYS 61 CO 0.10 0.94 0.11 1.25 -2.27 0.00 0.00 179.45 179.58 1r1u h LEU 62 N 0.76 0.57 -0.67 5.20 5.85 -1.09 -2.17 115.31 123.76 1r1u h LEU 62 Ca 0.12 -0.22 -0.09 0.00 0.84 0.00 0.00 57.88 58.54 1r1u h LEU 62 Cb 0.65 -0.15 -0.02 0.00 0.37 0.00 0.00 40.66 41.51 1r1u h LEU 62 CO 0.05 0.64 0.06 -0.07 -0.34 0.00 0.00 178.44 178.78 1r1u h LEU 63 N 0.48 1.06 -1.39 2.25 3.38 -0.94 -2.53 115.31 117.62 1r1u h LEU 63 Ca 0.12 -0.27 -0.06 0.00 0.09 0.00 0.00 57.88 57.76 1r1u h LEU 63 Cb 0.28 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 40.74 1r1u h LEU 63 CO -0.00 1.07 -0.28 0.50 0.09 0.00 0.00 178.44 179.81 1r1u h LYS 64 N 1.01 0.00 0.00 1.13 3.64 -1.01 -1.70 116.57 119.64 1r1u h LYS 64 Ca 0.19 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.57 1r1u h LYS 64 Cb 0.49 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.31 1r1u h LYS 64 CO 0.02 0.28 0.00 0.66 -2.27 0.00 0.00 179.45 178.14 1r1u h SER 65 N 0.00 0.00 -0.02 4.20 4.64 -0.93 -1.96 113.55 119.48 1r1u h SER 65 Ca -0.00 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.31 1r1u h SER 65 Cb 0.60 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.69 1r1u h SER 65 CO 0.04 0.00 -0.24 1.33 -0.87 0.00 0.00 176.83 177.09 1r1u n VAL 66 N -2.74 2.09 -3.80 0.95 0.24 -1.15 -5.02 118.33 108.89 1r1u n VAL 66 Ca 0.01 -2.74 -0.26 0.00 -2.04 0.00 0.00 64.34 59.31 1r1u n VAL 66 Cb 0.27 -0.24 0.03 0.00 -1.47 0.00 0.00 33.84 32.43 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 -1.24 -2.18 0.01 6.34 -0.00 -0.74 -4.81 115.22 112.61 1r1u n HIS 67 Ca 0.18 0.89 0.09 0.00 -0.00 0.00 0.00 57.72 58.89 1r1u n HIS 67 Cb 0.69 -4.23 -0.13 0.00 -0.00 0.00 0.00 29.99 26.32 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 -4.53 0.22 -4.02 2.41 4.77 -0.66 -4.70 117.00 110.49 1r1u n LEU 68 Ca -0.11 0.09 -0.10 0.00 -0.03 0.00 0.00 56.01 55.87 1r1u n LEU 68 Cb 0.59 0.02 -0.11 0.00 -2.33 0.00 0.00 43.42 41.59 1r1u n LEU 68 CO 0.72 -0.01 -0.37 0.68 -1.33 0.00 0.00 177.39 177.08 1r1u s VAL 69 N -3.40 0.25 0.35 4.08 -7.23 -1.25 -1.49 120.40 111.72 1r1u s VAL 69 Ca -0.06 -1.12 0.04 0.00 -1.81 0.00 0.00 61.98 59.02 1r1u s VAL 69 Cb 0.12 -0.58 -0.05 0.00 0.56 0.00 0.00 36.38 36.43 1r1u s VAL 69 CO 0.87 -0.56 0.07 -1.59 -0.31 0.00 0.00 175.10 173.59 1r1u s LYS 70 N -1.94 1.75 0.00 4.82 -2.85 0.57 -4.35 119.74 117.75 1r1u s LYS 70 Ca -0.10 -2.00 -0.00 0.00 -1.00 0.00 0.00 55.97 52.86 1r1u s LYS 70 Cb -0.07 -0.85 -0.00 0.00 -2.06 0.00 0.00 37.83 34.85 1r1u s LYS 70 CO -0.02 -0.26 -0.00 0.00 0.10 0.00 0.00 175.35 175.17 1r1u s ALA 71 N -3.25 0.02 -0.06 0.59 0.00 -1.26 0.02 121.76 117.82 1r1u s ALA 71 Ca 0.32 -0.15 -0.03 0.00 0.00 0.00 0.00 51.96 52.10 1r1u s ALA 71 Cb 0.07 0.03 0.04 0.00 0.00 0.00 0.00 23.12 23.26 1r1u s ALA 71 CO 0.15 -0.05 0.14 0.21 0.00 0.00 0.00 175.76 176.21 1r1u s LYS 72 N -0.41 0.10 -0.21 0.00 2.20 0.10 -4.92 119.74 116.59 1r1u s LYS 72 Ca -0.05 0.35 -0.29 0.00 -0.36 0.00 0.00 55.97 55.62 1r1u s LYS 72 Cb -0.03 -0.15 -0.03 0.00 -1.51 0.00 0.00 37.83 36.11 1r1u s LYS 72 CO -0.00 -0.15 1.77 0.50 -0.36 0.00 0.00 175.35 177.11 1r1u s ARG 73 N 1.04 3.65 -0.36 4.03 3.52 -1.26 -0.81 118.95 128.77 1r1u s ARG 73 Ca -0.08 1.77 0.01 0.00 -0.13 0.00 0.00 55.73 57.30 1r1u s ARG 73 Cb -0.10 -4.13 0.11 0.00 -1.56 0.00 0.00 34.95 29.27 1r1u s ARG 73 CO -0.05 -1.48 0.12 -0.65 -0.81 0.00 0.00 175.30 172.43 1r1u s GLN 74 N 5.07 1.09 6.63 5.12 -0.21 -1.13 -4.97 119.66 131.26 1r1u s GLN 74 Ca 0.79 -1.55 0.00 0.00 0.02 0.00 0.00 55.36 54.62 1r1u s GLN 74 Cb -0.27 -2.44 0.00 0.00 1.00 0.00 0.00 33.01 31.29 1r1u s GLN 74 CO 0.32 -1.02 0.00 0.41 -2.12 0.00 0.00 175.29 172.88 1r1u n GLY 75 N 4.34 1.08 0.00 3.09 0.00 -1.26 -4.29 105.19 108.15 1r1u n GLY 75 Ca 0.02 -0.58 0.00 0.00 0.00 0.00 0.00 46.02 45.47 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 12.24 0.00 -1.23 1.61 6.02 -1.26 -4.98 117.38 129.79 1r1u n GLN 76 Ca 0.00 0.12 0.00 0.00 -0.01 0.00 0.00 57.00 57.11 1r1u n GLN 76 Cb 0.00 -0.86 0.00 0.00 1.02 0.00 0.00 30.24 30.40 1r1u n GLN 76 CO 0.00 0.00 0.00 -1.13 -1.01 0.00 0.00 177.06 174.92 1r1u n SER 77 N -0.48 0.79 -4.88 1.08 3.41 -1.26 -5.03 113.62 107.25 1r1u n SER 77 Ca 0.00 -0.88 -0.36 0.00 -0.26 0.00 0.00 58.87 57.37 1r1u n SER 77 Cb 0.00 0.00 -0.06 0.00 -0.26 0.00 0.00 64.21 63.89 1r1u n SER 77 CO 0.00 0.00 0.00 -0.04 -0.16 0.00 0.00 175.04 174.84 1r1u s MET 78 N -1.49 3.51 -0.16 4.33 -1.94 -1.26 -2.84 119.30 119.45 1r1u s MET 78 Ca 0.00 -0.11 0.01 0.00 -1.71 0.00 0.00 55.69 53.88 1r1u s MET 78 Cb 0.00 -3.15 0.01 0.00 2.01 0.00 0.00 34.83 33.70 1r1u s MET 78 CO 0.00 0.72 -0.17 0.42 -0.01 0.00 0.00 175.02 175.98 1r1u s ILE 79 N -1.15 2.39 0.11 2.53 -1.09 0.01 -4.07 121.20 119.93 1r1u s ILE 79 Ca 0.21 -0.85 -0.04 0.00 -2.23 0.00 0.00 60.65 57.74 1r1u s ILE 79 Cb -0.13 -2.00 -0.05 0.00 -1.58 0.00 0.00 42.46 38.70 1r1u s ILE 79 CO 0.10 0.52 0.33 -0.31 -1.23 0.00 0.00 174.94 174.36 1r1u s TYR 80 N 0.99 3.50 0.05 3.97 2.02 0.61 -0.73 117.35 127.77 1r1u s TYR 80 Ca -0.02 0.51 -0.12 0.00 -0.37 0.00 0.00 57.07 57.07 1r1u s TYR 80 Cb -0.15 -1.96 0.01 0.00 -0.40 0.00 0.00 41.96 39.46 1r1u s TYR 80 CO -0.04 0.49 0.25 -1.54 -1.57 0.00 0.00 175.55 173.14 1r1u s SER 81 N -2.34 -0.04 0.28 2.29 1.04 0.10 -1.35 113.70 113.69 1r1u s SER 81 Ca 0.38 -0.32 -0.29 0.00 0.48 0.00 0.00 55.95 56.20 1r1u s SER 81 Cb -0.12 0.33 -0.14 0.00 0.10 0.00 0.00 66.02 66.19 1r1u s SER 81 CO 0.24 -0.62 1.16 0.18 0.98 0.00 0.00 173.24 175.18 1r1u n LEU 82 N 0.51 2.42 -0.15 2.42 4.32 -1.26 -0.31 117.00 124.94 1r1u n LEU 82 Ca -0.18 1.18 -0.04 0.00 -0.02 0.00 0.00 56.01 56.95 1r1u n LEU 82 Cb 0.60 -1.35 0.05 0.00 -1.62 0.00 0.00 43.42 41.10 1r1u n LEU 82 CO 0.21 -1.01 0.96 -0.78 -1.22 0.00 0.00 177.39 175.56 1r1u h ASP 83 N 2.63 0.18 -2.33 -1.43 3.58 -1.54 -3.41 116.42 114.11 1r1u h ASP 83 Ca -0.42 0.06 0.06 0.00 0.42 0.00 0.00 57.03 57.14 1r1u h ASP 83 Cb 1.32 0.04 -0.01 0.00 1.72 0.00 0.00 39.33 42.39 1r1u h ASP 83 CO 0.64 0.13 0.35 -0.90 -2.88 0.00 0.00 179.24 176.59 1r1u n ASP 84 N -5.00 -1.58 0.18 2.28 3.85 -1.26 -4.82 116.55 110.19 1r1u n ASP 84 Ca 0.05 -1.97 0.05 0.00 -0.71 0.00 0.00 54.79 52.21 1r1u n ASP 84 Cb 0.19 2.60 0.52 0.00 -1.35 0.00 0.00 41.12 43.08 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 1.78 1.08 -0.87 2.12 2.10 -1.99 -1.99 117.51 119.75 1r1u h ILE 85 Ca -0.24 -0.34 -0.02 0.00 1.08 0.00 0.00 64.86 65.34 1r1u h ILE 85 Cb 0.96 1.03 -0.04 0.00 -1.09 0.00 0.00 36.82 37.68 1r1u h ILE 85 CO 0.31 0.11 0.46 0.45 -1.08 0.00 0.00 178.15 178.40 1r1u h HIS 86 N 0.14 1.21 -0.12 2.19 3.86 -1.99 0.11 115.15 120.55 1r1u h HIS 86 Ca 0.04 -0.04 -0.08 0.00 -1.16 0.00 0.00 60.37 59.13 1r1u h HIS 86 Cb 0.14 -0.38 0.00 0.00 1.06 0.00 0.00 27.41 28.23 1r1u h HIS 86 CO 0.00 0.85 -0.22 0.28 0.86 0.00 0.00 177.93 179.70 1r1u h VAL 87 N 1.22 1.38 -0.49 2.45 2.07 -1.91 -1.18 116.25 119.79 1r1u h VAL 87 Ca 0.30 -1.48 0.04 0.00 0.82 0.00 0.00 66.70 66.38 1r1u h VAL 87 Cb 0.05 2.05 -0.04 0.00 -1.52 0.00 0.00 31.29 31.83 1r1u h VAL 87 CO -0.05 0.43 0.24 0.00 0.02 0.00 0.00 177.57 178.22 1r1u h ALA 88 N 0.54 0.62 0.17 1.67 0.00 -1.18 -1.54 119.26 119.54 1r1u h ALA 88 Ca 0.01 0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.93 1r1u h ALA 88 Cb 0.80 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.53 1r1u h ALA 88 CO 0.05 -0.11 -0.08 1.15 0.00 0.00 0.00 179.25 180.26 1r1u h THR 89 N 0.48 0.92 -0.90 0.00 2.02 -0.79 -1.49 112.91 113.15 1r1u h THR 89 Ca 0.22 -0.46 0.14 0.00 0.77 0.00 0.00 66.41 67.08 1r1u h THR 89 Cb 0.13 1.20 -0.15 0.00 -1.74 0.00 0.00 68.15 67.59 1r1u h THR 89 CO -0.15 0.11 -0.37 -0.03 0.37 0.00 0.00 175.52 175.44 1r1u h MET 90 N -0.45 -0.04 0.13 6.66 -1.53 -1.16 0.14 114.93 118.68 1r1u h MET 90 Ca -0.02 0.00 -0.01 0.00 -3.44 0.00 0.00 59.70 56.23 1r1u h MET 90 Cb 0.35 0.01 0.00 0.00 -0.55 0.00 0.00 31.60 31.41 1r1u h MET 90 CO 0.04 -0.02 -0.06 1.25 0.14 0.00 0.00 176.91 178.25 1r1u h LEU 91 N -0.04 -0.15 -1.45 3.39 5.85 -1.07 -1.18 115.31 120.67 1r1u h LEU 91 Ca 0.32 -0.19 -0.04 0.00 0.84 0.00 0.00 57.88 58.81 1r1u h LEU 91 Cb 0.59 0.04 -0.01 0.00 0.37 0.00 0.00 40.66 41.64 1r1u h LEU 91 CO -0.92 0.11 -0.06 0.11 -0.34 0.00 0.00 178.44 177.34 1r1u h LYS 92 N -0.41 0.28 -0.13 1.25 1.57 -1.07 0.32 116.57 118.38 1r1u h LYS 92 Ca -0.02 -0.05 -0.13 0.00 -1.87 0.00 0.00 60.65 58.58 1r1u h LYS 92 Cb 0.33 -0.04 0.00 0.00 0.08 0.00 0.00 32.23 32.60 1r1u h LYS 92 CO 0.03 0.36 -0.41 1.96 -0.57 0.00 0.00 179.45 180.82 1r1u h GLN 93 N 0.27 0.51 -0.18 3.15 1.08 -0.38 -2.14 115.11 117.42 1r1u h GLN 93 Ca 0.06 -0.37 0.04 0.00 -1.45 0.00 0.00 58.65 56.93 1r1u h GLN 93 Cb 0.29 0.06 -0.04 0.00 -0.05 0.00 0.00 27.48 27.74 1r1u h GLN 93 CO 0.01 0.99 -0.09 0.00 -0.95 0.00 0.00 178.83 178.80 1r1u h ALA 94 N 0.52 0.06 -0.87 3.87 0.00 -0.71 0.85 119.26 122.97 1r1u h ALA 94 Ca -0.01 0.07 0.06 0.00 0.00 0.00 0.00 54.91 55.03 1r1u h ALA 94 Cb 1.03 0.21 -0.06 0.00 0.00 0.00 0.00 17.79 18.97 1r1u h ALA 94 CO 0.09 -0.52 0.54 0.82 0.00 0.00 0.00 179.25 180.18 1r1u h ILE 95 N -0.07 1.04 -0.22 0.00 1.08 -0.96 -0.61 117.51 117.77 1r1u h ILE 95 Ca 0.10 -0.34 -0.02 0.00 -0.39 0.00 0.00 64.86 64.21 1r1u h ILE 95 Cb 0.22 -0.03 -0.01 0.00 -3.07 0.00 0.00 36.82 33.93 1r1u h ILE 95 CO -0.22 0.18 0.06 -0.74 -0.69 0.00 0.00 178.15 176.74 1r1u h HIS 96 N 0.99 0.35 -0.57 1.37 2.76 -0.78 -1.79 115.15 117.48 1r1u h HIS 96 Ca 0.38 -0.04 0.08 0.00 -2.20 0.00 0.00 60.37 58.59 1r1u h HIS 96 Cb 0.18 -0.10 -0.06 0.00 1.55 0.00 0.00 27.41 28.98 1r1u h HIS 96 CO -0.03 0.43 0.23 1.25 -1.30 0.00 0.00 177.93 178.51 1r1u h HIS 97 N 0.18 0.41 0.00 5.26 -0.00 -0.43 0.15 115.15 120.72 1r1u h HIS 97 Ca 0.07 0.03 0.00 0.00 -0.00 0.00 0.00 60.37 60.47 1r1u h HIS 97 Cb 0.25 -0.10 0.00 0.00 -0.00 0.00 0.00 27.41 27.56 1r1u h HIS 97 CO 0.00 0.14 0.00 0.00 -0.00 0.00 0.00 177.93 178.07 1r1u h ALA 98 N 1.37 1.00 0.13 5.26 0.00 -0.87 -2.77 119.26 123.38 1r1u h ALA 98 Ca 0.27 0.00 -0.29 0.00 0.00 0.00 0.00 54.91 54.90 1r1u h ALA 98 Cb 0.29 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.08 1r1u h ALA 98 CO -0.25 0.00 -1.45 -0.91 0.00 0.00 0.00 179.25 176.63 1r1u h ASN 99 N 0.00 0.44 -4.24 0.00 2.35 -0.10 -3.50 115.58 110.53 1r1u h ASN 99 Ca 0.00 -0.88 -0.49 0.00 -0.55 0.00 0.00 56.30 54.38 1r1u h ASN 99 Cb 0.18 -0.14 0.12 0.00 0.05 0.00 0.00 38.32 38.52 1r1u h ASN 99 CO 0.00 1.64 0.32 -1.38 -1.65 0.00 0.00 177.43 176.36 1r1u s HIS 100 N -2.50 2.70 0.22 1.19 -3.43 -0.81 -5.04 115.29 107.62 1r1u s HIS 100 Ca -0.19 1.17 -0.21 0.00 -0.80 0.00 0.00 55.06 55.04 1r1u s HIS 100 Cb 0.04 -3.14 -0.08 0.00 -1.43 0.00 0.00 32.58 27.97 1r1u s HIS 100 CO 0.79 -1.93 0.75 -1.25 -2.00 0.00 0.00 174.74 171.10 1r1u s PRO 101 N -5.11 4.32 -0.29 -0.38 0.05 -1.26 -5.04 135.00 127.30 1r1u s PRO 101 Ca 0.61 0.95 0.04 0.00 0.05 0.00 0.00 61.00 62.65 1r1u s PRO 101 Cb -0.15 -2.93 0.20 0.00 0.05 0.00 0.00 34.50 31.66 1r1u s PRO 101 CO 0.55 0.41 0.60 0.15 0.05 0.00 0.00 177.00 178.76 1r1u s LYS 102 N -1.85 0.56 0.00 4.56 1.02 -1.26 -5.21 119.74 117.55 1r1u s LYS 102 Ca 0.42 0.70 0.24 0.00 0.02 0.00 0.00 55.97 57.35 1r1u s LYS 102 Cb -0.18 0.35 0.19 0.00 -0.52 0.00 0.00 37.83 37.67 1r1u s LYS 102 CO 0.22 -0.90 1.25 -0.85 -0.92 0.00 0.00 175.35 174.15