#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2qmu h GLU 4 N 0.00 0.57 -0.51 4.33 5.08 -2.04 0.21 114.58 122.22 2qmu h GLU 4 Ca 0.00 -0.03 0.09 0.00 -1.00 0.00 0.00 59.36 58.42 2qmu h GLU 4 Cb 0.00 -0.13 -0.10 0.00 0.50 0.00 0.00 28.75 29.02 2qmu h GLU 4 CO 0.00 0.38 -0.34 0.87 -1.00 0.00 0.00 179.01 178.92 2qmu h LYS 5 N 0.59 -0.19 -0.31 2.33 1.57 -2.04 1.60 116.57 120.12 2qmu h LYS 5 Ca 0.57 0.01 0.07 0.00 -1.87 0.00 0.00 60.65 59.43 2qmu h LYS 5 Cb 1.12 0.04 -0.07 0.00 0.08 0.00 0.00 32.23 33.41 2qmu h LYS 5 CO -0.33 -0.13 -0.15 1.49 -0.57 0.00 0.00 179.45 179.76 2qmu h GLU 6 N -0.20 -0.10 0.55 3.15 4.81 -1.04 -0.14 114.58 121.62 2qmu h GLU 6 Ca 0.20 0.01 -0.03 0.00 -0.13 0.00 0.00 59.36 59.41 2qmu h GLU 6 Cb 0.55 0.02 0.01 0.00 0.63 0.00 0.00 28.75 29.95 2qmu h GLU 6 CO -0.62 -0.07 -0.27 -0.92 -0.73 0.00 0.00 179.01 176.41 2qmu h TYR 7 N -0.10 -0.69 -1.03 0.92 3.20 -0.36 -3.04 116.97 115.87 2qmu h TYR 7 Ca 0.16 -0.02 0.32 0.00 3.14 0.00 0.00 58.73 62.33 2qmu h TYR 7 Cb 0.35 0.23 -0.14 0.00 1.54 0.00 0.00 36.73 38.70 2qmu h TYR 7 CO -0.35 -0.43 0.60 0.28 -1.64 0.00 0.00 178.16 176.62 2qmu h VAL 8 N -0.88 0.33 -0.35 1.81 2.07 0.23 0.52 116.25 119.97 2qmu h VAL 8 Ca -0.08 -0.12 0.05 0.00 0.82 0.00 0.00 66.70 67.38 2qmu h VAL 8 Cb 0.57 -0.04 -0.05 0.00 -1.52 0.00 0.00 31.29 30.25 2qmu h VAL 8 CO 0.12 0.06 0.07 -0.08 0.02 0.00 0.00 177.57 177.77 2qmu h GLU 9 N 0.35 0.19 -0.35 1.57 4.81 -0.96 -0.74 114.58 119.45 2qmu h GLU 9 Ca 0.72 -0.01 -0.12 0.00 -0.13 0.00 0.00 59.36 59.81 2qmu h GLU 9 Cb 1.67 -0.04 -0.01 0.00 0.63 0.00 0.00 28.75 30.99 2qmu h GLU 9 CO -0.55 0.13 -0.29 0.52 -0.73 0.00 0.00 179.01 178.08 2qmu h MET 10 N 0.20 0.73 0.49 1.92 0.00 0.04 -2.94 114.93 115.36 2qmu h MET 10 Ca 0.17 -0.32 -0.01 0.00 0.00 0.00 0.00 59.70 59.53 2qmu h MET 10 Cb 0.19 -0.02 -0.02 0.00 0.00 0.00 0.00 31.60 31.75 2qmu h MET 10 CO -0.22 0.93 -0.49 1.25 0.00 0.00 0.00 176.91 178.38 2qmu h LEU 11 N 0.62 -1.36 -1.53 1.22 5.85 -0.17 -2.05 115.31 117.88 2qmu h LEU 11 Ca 0.07 0.11 0.14 0.00 0.84 0.00 0.00 57.88 59.05 2qmu h LEU 11 Cb 0.81 0.45 -0.05 0.00 0.37 0.00 0.00 40.66 42.23 2qmu h LEU 11 CO 0.07 -0.65 0.51 0.44 -0.34 0.00 0.00 178.44 178.46 2qmu h ASP 12 N -0.98 0.44 -0.76 1.25 3.32 -1.20 -1.54 116.42 116.93 2qmu h ASP 12 Ca -0.06 0.02 -0.03 0.00 0.02 0.00 0.00 57.03 56.98 2qmu h ASP 12 Cb 0.85 -0.06 -0.03 0.00 0.22 0.00 0.00 39.33 40.30 2qmu h ASP 12 CO -0.06 0.23 0.34 -0.09 -1.72 0.00 0.00 179.24 177.94 2qmu h ARG 13 N 0.47 1.12 -0.17 3.56 2.43 -1.20 -2.54 114.38 118.04 2qmu h ARG 13 Ca 0.37 -0.18 -0.05 0.00 -0.81 0.00 0.00 59.98 59.31 2qmu h ARG 13 Cb 0.80 -0.19 -0.00 0.00 -0.42 0.00 0.00 29.97 30.15 2qmu h ARG 13 CO -0.13 0.89 -0.10 1.25 -1.51 0.00 0.00 179.97 180.37 2qmu h LEU 14 N 1.09 0.39 -0.34 3.80 6.46 -0.68 -3.20 115.31 122.83 2qmu h LEU 14 Ca 0.26 -0.42 0.05 0.00 -0.12 0.00 0.00 57.88 57.65 2qmu h LEU 14 Cb 0.16 -0.11 -0.08 0.00 -0.73 0.00 0.00 40.66 39.90 2qmu h LEU 14 CO -0.03 0.73 -0.50 1.88 -0.62 0.00 0.00 178.44 179.90 2qmu h TYR 15 N 0.05 -1.49 0.00 1.25 0.99 -1.27 0.71 116.97 117.21 2qmu h TYR 15 Ca 0.04 0.07 0.00 0.00 2.00 0.00 0.00 58.73 60.84 2qmu h TYR 15 Cb 0.59 0.70 0.00 0.00 1.00 0.00 0.00 36.73 39.01 2qmu h TYR 15 CO 0.07 -0.48 0.00 -1.13 -0.00 0.00 0.00 178.16 176.61 2qmu n SER 16 N -5.41 0.31 -0.05 3.88 3.41 -0.97 0.30 113.62 115.10 2qmu n SER 16 Ca -0.03 -0.83 0.01 0.00 -0.26 0.00 0.00 58.87 57.76 2qmu n SER 16 Cb 0.36 -0.16 -0.00 0.00 -0.26 0.00 0.00 64.21 64.14 2qmu n SER 16 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 2qmu n LYS 17 N 0.10 3.24 -1.08 4.33 4.76 0.24 -5.05 118.16 124.70 2qmu n LYS 17 Ca 0.00 -0.29 -0.30 0.00 -2.87 0.00 0.00 58.31 54.85 2qmu n LYS 17 Cb 0.08 -0.81 0.22 0.00 -1.84 0.00 0.00 35.03 32.68 2qmu n LYS 17 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 2qmu s LEU 18 N -1.31 0.91 -1.19 -0.35 1.43 0.15 -4.95 118.68 113.36 2qmu s LEU 18 Ca 0.02 0.81 -0.04 0.00 -1.03 0.00 0.00 54.13 53.89 2qmu s LEU 18 Cb 0.02 -2.67 0.21 0.00 0.03 0.00 0.00 46.19 43.78 2qmu s LEU 18 CO 0.08 -3.87 2.03 -2.65 0.23 0.00 0.00 176.35 172.17 2qmu n PRO 19 N -4.62 4.74 0.00 1.29 -0.02 -1.26 -5.02 135.00 130.11 2qmu n PRO 19 Ca 0.10 -3.99 0.00 0.00 -2.02 0.00 0.00 63.50 57.59 2qmu n PRO 19 Cb 0.59 -2.60 0.00 0.00 -0.02 0.00 0.00 33.50 31.46 2qmu n PRO 19 CO 0.00 0.00 0.00 -1.91 1.98 0.00 0.00 175.50 175.57 2qmu n GLU 20 N 1.37 0.00 -0.31 -0.52 4.07 -1.26 -4.92 120.64 119.07 2qmu n GLU 20 Ca 0.50 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 57.60 2qmu n GLU 20 Cb 0.28 0.00 0.00 0.00 -0.06 0.00 0.00 31.44 31.66 2qmu n GLU 20 CO 0.00 0.00 0.00 1.17 -0.06 0.00 0.00 177.13 178.24 2qmu n LYS 21 N -0.90 2.88 -4.00 5.31 3.00 -1.26 -5.19 118.16 118.01 2qmu n LYS 21 Ca 0.00 0.00 -0.33 0.00 -0.00 0.00 0.00 58.31 57.98 2qmu n LYS 21 Cb 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 35.03 34.97 2qmu n LYS 21 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.40 177.60 2qmu s GLY 22 N -0.89 2.10 0.00 3.14 0.00 -1.26 -5.25 107.32 105.16 2qmu s GLY 22 Ca 0.00 -0.80 0.00 0.00 0.00 0.00 0.00 44.72 43.92 2qmu s GLY 22 CO 0.00 -0.67 0.00 -0.18 0.00 0.00 0.00 173.10 172.25 2qmu n GLN 28 N 1.17 0.00 -0.32 2.90 7.27 -1.26 -5.23 117.38 121.91 2qmu n GLN 28 Ca -0.13 0.00 0.00 0.00 0.07 0.00 0.00 57.00 56.94 2qmu n GLN 28 Cb 0.53 0.00 0.00 0.00 2.41 0.00 0.00 30.24 33.18 2qmu n GLN 28 CO 0.00 0.00 0.00 0.43 0.07 0.00 0.00 177.06 177.56 2qmu n SER 29 N 0.00 0.00 -4.39 1.69 7.64 -1.26 -5.05 113.62 112.25 2qmu n SER 29 Ca 0.00 -0.72 -0.33 0.00 1.01 0.00 0.00 58.87 58.83 2qmu n SER 29 Cb 0.00 0.00 -0.14 0.00 -1.01 0.00 0.00 64.21 63.06 2qmu n SER 29 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 2qmu s LEU 30 N 0.00 2.69 0.29 -3.43 1.43 -1.26 -5.07 118.68 113.33 2qmu s LEU 30 Ca 0.00 -0.31 -0.29 0.00 -1.03 0.00 0.00 54.13 52.50 2qmu s LEU 30 Cb 0.00 -1.59 -0.13 0.00 0.03 0.00 0.00 46.19 44.50 2qmu s LEU 30 CO 0.00 0.21 1.21 -2.65 0.23 0.00 0.00 176.35 175.35 2qmu n PRO 31 N 3.25 1.76 -1.84 1.29 -0.02 -1.26 -4.81 135.00 133.38 2qmu n PRO 31 Ca -0.18 0.62 -0.42 0.00 -2.02 0.00 0.00 63.50 61.50 2qmu n PRO 31 Cb 0.53 -2.14 -0.03 0.00 -0.02 0.00 0.00 33.50 31.84 2qmu n PRO 31 CO 0.00 0.00 0.00 -0.80 1.98 0.00 0.00 175.50 176.68 2qmu s ASN 32 N -0.23 6.51 -0.45 2.55 0.01 -1.26 -4.90 114.94 117.17 2qmu s ASN 32 Ca 0.61 2.66 -0.29 0.00 -0.71 0.00 0.00 52.86 55.14 2qmu s ASN 32 Cb -0.66 -2.58 0.02 0.00 0.41 0.00 0.00 41.25 38.44 2qmu s ASN 32 CO 0.58 -0.91 1.32 -0.32 -1.51 0.00 0.00 177.10 176.26 2qmu s MET 33 N 1.94 3.60 -0.09 -0.60 -2.45 -1.26 -4.99 119.30 115.45 2qmu s MET 33 Ca 0.75 0.77 -0.30 0.00 -1.25 0.00 0.00 55.69 55.66 2qmu s MET 33 Cb -0.44 -4.00 -0.02 0.00 1.25 0.00 0.00 34.83 31.62 2qmu s MET 33 CO 0.33 -1.54 1.16 0.42 1.05 0.00 0.00 175.02 176.44 2qmu s ILE 34 N 5.17 4.39 0.07 10.11 1.01 -1.26 -5.03 121.20 135.66 2qmu s ILE 34 Ca 0.56 1.70 0.07 0.00 0.00 0.00 0.00 60.65 62.97 2qmu s ILE 34 Cb -0.11 -4.09 -0.03 0.00 0.01 0.00 0.00 42.46 38.24 2qmu s ILE 34 CO 0.32 -0.03 -0.18 -0.63 0.00 0.00 0.00 174.94 174.42 2qmu s ILE 35 N 2.41 1.44 0.36 2.92 1.01 -1.26 -2.01 121.20 126.06 2qmu s ILE 35 Ca 0.53 -1.30 -0.01 0.00 0.00 0.00 0.00 60.65 59.88 2qmu s ILE 35 Cb -0.22 -1.31 0.00 0.00 0.01 0.00 0.00 42.46 40.94 2qmu s ILE 35 CO 0.19 -0.02 0.47 -1.48 0.00 0.00 0.00 174.94 174.10 2qmu s LEU 36 N -1.54 1.14 0.02 2.97 2.34 -0.81 -4.95 118.68 117.85 2qmu s LEU 36 Ca 0.04 -1.56 0.02 0.00 0.06 0.00 0.00 54.13 52.69 2qmu s LEU 36 Cb -0.09 1.40 -0.01 0.00 -0.56 0.00 0.00 46.19 46.93 2qmu s LEU 36 CO 0.03 -1.31 -0.08 0.20 -1.06 0.00 0.00 176.35 174.13 2qmu s ASN 37 N -3.27 0.91 -0.43 1.48 0.01 -1.26 -1.69 114.94 110.69 2qmu s ASN 37 Ca 0.32 -0.30 0.05 0.00 -0.71 0.00 0.00 52.86 52.22 2qmu s ASN 37 Cb -0.00 -0.05 0.17 0.00 0.41 0.00 0.00 41.25 41.78 2qmu s ASN 37 CO 0.22 -0.01 0.47 -0.63 -1.51 0.00 0.00 177.10 175.64 2qmu s ILE 38 N -0.62 -0.25 0.00 0.60 1.01 -1.15 -5.00 121.20 115.79 2qmu s ILE 38 Ca -0.01 -1.69 0.00 0.00 0.00 0.00 0.00 60.65 58.94 2qmu s ILE 38 Cb -0.06 -0.71 0.00 0.00 0.01 0.00 0.00 42.46 41.70 2qmu s ILE 38 CO 0.00 -0.69 0.00 0.61 0.00 0.00 0.00 174.94 174.86 2qmu n GLY 39 N 3.26 1.74 2.75 6.18 0.00 -1.26 -3.60 105.19 114.26 2qmu n GLY 39 Ca 0.21 -0.25 -0.05 0.00 0.00 0.00 0.00 46.02 45.93 2qmu n GLY 39 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2qmu n ASN 40 N 5.07 1.57 -4.11 1.61 3.02 -1.26 -4.86 115.26 116.30 2qmu n ASN 40 Ca 0.00 -2.36 -0.14 0.00 -0.03 0.00 0.00 54.58 52.04 2qmu n ASN 40 Cb 0.00 -0.50 -0.11 0.00 -0.61 0.00 0.00 39.78 38.56 2qmu n ASN 40 CO 0.00 0.00 0.00 0.42 -2.62 0.00 0.00 177.26 175.06 2qmu s THR 41 N -3.52 0.75 -0.09 3.41 -4.23 -1.24 -1.54 115.64 109.18 2qmu s THR 41 Ca 0.27 -1.25 0.04 0.00 -1.18 0.00 0.00 61.69 59.57 2qmu s THR 41 Cb 0.38 -0.88 0.00 0.00 1.34 0.00 0.00 72.50 73.35 2qmu s THR 41 CO -0.00 -0.39 -0.22 -0.89 -0.54 0.00 0.00 174.62 172.58 2qmu s THR 42 N -1.60 1.90 -0.11 3.99 2.01 -0.92 -2.91 115.64 117.99 2qmu s THR 42 Ca -0.05 -0.93 0.02 0.00 0.31 0.00 0.00 61.69 61.05 2qmu s THR 42 Cb -0.08 -1.65 0.01 0.00 0.01 0.00 0.00 72.50 70.79 2qmu s THR 42 CO 0.01 0.52 -0.17 -0.63 -0.69 0.00 0.00 174.62 173.66 2qmu s ILE 43 N 0.40 1.62 -0.92 1.82 1.01 -0.68 -1.51 121.20 122.95 2qmu s ILE 43 Ca -0.18 -0.73 -0.14 0.00 0.00 0.00 0.00 60.65 59.60 2qmu s ILE 43 Cb -0.18 -1.46 0.21 0.00 0.01 0.00 0.00 42.46 41.04 2qmu s ILE 43 CO 0.08 0.46 0.92 -0.63 0.00 0.00 0.00 174.94 175.78 2qmu s ILE 44 N 0.84 5.50 0.25 2.92 1.01 -0.78 -1.92 121.20 129.03 2qmu s ILE 44 Ca -0.09 -2.50 0.02 0.00 0.00 0.00 0.00 60.65 58.08 2qmu s ILE 44 Cb -0.15 -4.57 0.34 0.00 0.01 0.00 0.00 42.46 38.08 2qmu s ILE 44 CO 0.00 -1.17 1.26 0.54 0.00 0.00 0.00 174.94 175.57 2qmu n ARG 45 N 4.28 -0.06 -0.63 2.79 1.74 -0.85 -1.12 116.66 122.80 2qmu n ARG 45 Ca 0.19 1.20 0.02 0.00 -0.77 0.00 0.00 57.85 58.49 2qmu n ARG 45 Cb 0.46 -1.91 0.25 0.00 -1.02 0.00 0.00 32.46 30.23 2qmu n ARG 45 CO 0.00 0.00 0.00 0.27 -1.52 0.00 0.00 177.63 176.38 2qmu n ASN 46 N -5.13 3.58 -0.41 0.55 6.94 -1.26 -4.48 115.26 115.04 2qmu n ASN 46 Ca 0.19 -3.28 0.37 0.00 -0.02 0.00 0.00 54.58 51.84 2qmu n ASN 46 Cb 0.63 -0.60 0.72 0.00 -2.36 0.00 0.00 39.78 38.16 2qmu n ASN 46 CO 0.00 0.00 0.00 0.15 -1.03 0.00 0.00 177.26 176.38 2qmu h PHE 47 N 1.64 0.17 0.12 -2.53 3.57 -1.22 0.39 116.94 119.08 2qmu h PHE 47 Ca 0.11 0.01 -0.01 0.00 3.53 0.00 0.00 57.97 61.61 2qmu h PHE 47 Cb 1.64 -0.05 0.00 0.00 2.79 0.00 0.00 35.95 40.34 2qmu h PHE 47 CO 0.77 -0.02 -0.06 0.00 -2.23 0.00 0.00 178.31 176.77 2qmu h ALA 48 N 1.39 -0.16 -0.12 2.41 0.00 -1.70 -2.57 119.26 118.51 2qmu h ALA 48 Ca 0.67 -0.25 0.03 0.00 0.00 0.00 0.00 54.91 55.37 2qmu h ALA 48 Cb 2.48 0.06 -0.03 0.00 0.00 0.00 0.00 17.79 20.30 2qmu h ALA 48 CO -0.10 -0.24 -0.08 0.93 0.00 0.00 0.00 179.25 179.76 2qmu h GLU 49 N -0.86 -0.08 -0.13 0.00 3.07 -1.16 0.48 114.58 115.90 2qmu h GLU 49 Ca -0.02 0.01 0.02 0.00 -0.50 0.00 0.00 59.36 58.86 2qmu h GLU 49 Cb 0.55 0.02 -0.03 0.00 -0.84 0.00 0.00 28.75 28.45 2qmu h GLU 49 CO 0.03 -0.05 -0.19 -0.92 -1.40 0.00 0.00 179.01 176.47 2qmu h TYR 50 N -0.08 -0.58 -0.86 4.33 3.20 -0.43 0.67 116.97 123.22 2qmu h TYR 50 Ca 0.07 0.03 0.17 0.00 3.14 0.00 0.00 58.73 62.14 2qmu h TYR 50 Cb 0.19 0.27 -0.10 0.00 1.54 0.00 0.00 36.73 38.63 2qmu h TYR 50 CO -0.20 -0.17 0.42 0.00 -1.64 0.00 0.00 178.16 176.56 2qmu h ASP 52 N 0.54 0.66 -1.24 0.00 3.32 0.85 -2.15 116.42 118.40 2qmu h ASP 52 Ca 0.49 0.09 -0.58 0.00 0.02 0.00 0.00 57.03 57.06 2qmu h ASP 52 Cb 0.79 -0.02 -0.22 0.00 0.22 0.00 0.00 39.33 40.10 2qmu h ASP 52 CO -0.42 0.26 0.67 -1.14 -1.72 0.00 0.00 179.24 176.89 2qmu n ARG 53 N -4.81 2.45 -0.20 3.56 0.00 0.05 -3.25 116.66 114.47 2qmu n ARG 53 Ca 0.20 -2.71 0.00 0.00 -0.00 0.00 0.00 57.85 55.34 2qmu n ARG 53 Cb 0.48 -2.12 0.00 0.00 0.00 0.00 0.00 32.46 30.83 2qmu n ARG 53 CO 0.00 0.00 0.00 0.44 0.00 0.00 0.00 177.63 178.07 2qmu n ILE 54 N 0.10 0.00 -4.11 5.15 -5.35 -0.84 -5.01 119.36 109.30 2qmu n ILE 54 Ca 0.50 0.00 -0.31 0.00 -0.27 0.00 0.00 62.75 62.66 2qmu n ILE 54 Cb 0.48 0.00 -0.03 0.00 -1.74 0.00 0.00 39.64 38.35 2qmu n ILE 54 CO 0.00 0.00 0.00 0.54 -1.76 0.00 0.00 176.55 175.33 2qmu n ARG 55 N 0.00 -3.18 -4.87 6.28 1.74 -1.14 -4.76 116.66 110.73 2qmu n ARG 55 Ca 0.00 0.38 -0.27 0.00 -0.77 0.00 0.00 57.85 57.19 2qmu n ARG 55 Cb 0.43 -4.80 -0.16 0.00 -1.02 0.00 0.00 32.46 26.91 2qmu n ARG 55 CO 0.00 0.00 0.00 1.03 -1.52 0.00 0.00 177.63 177.14 2qmu s ARG 56 N -6.79 1.97 0.13 5.56 1.81 -1.01 -4.74 118.95 115.88 2qmu s ARG 56 Ca 0.40 -0.63 -0.31 0.00 -1.72 0.00 0.00 55.73 53.47 2qmu s ARG 56 Cb -0.22 -1.66 -0.10 0.00 -0.45 0.00 0.00 34.95 32.53 2qmu s ARG 56 CO 0.91 0.21 1.68 -2.00 -0.68 0.00 0.00 175.30 175.42 2qmu s GLU 57 N 0.16 4.18 0.29 3.54 2.12 -1.26 -4.37 118.70 123.35 2qmu s GLU 57 Ca -0.07 2.44 0.03 0.00 0.36 0.00 0.00 54.97 57.73 2qmu s GLU 57 Cb -0.13 -3.38 0.67 0.00 0.26 0.00 0.00 34.13 31.55 2qmu s GLU 57 CO 0.03 -0.72 1.76 -0.44 -0.54 0.00 0.00 175.26 175.35 2qmu h ASP 58 N 7.69 0.62 -0.95 -1.70 5.19 -1.94 0.64 116.42 125.97 2qmu h ASP 58 Ca -0.43 0.11 0.06 0.00 -0.62 0.00 0.00 57.03 56.14 2qmu h ASP 58 Cb 1.21 0.01 -0.06 0.00 0.18 0.00 0.00 39.33 40.66 2qmu h ASP 58 CO 0.93 0.20 0.61 0.11 -3.12 0.00 0.00 179.24 177.97 2qmu h LYS 59 N 0.65 1.08 0.54 3.56 1.57 -1.97 0.24 116.57 122.23 2qmu h LYS 59 Ca 0.54 -0.06 -0.03 0.00 -1.87 0.00 0.00 60.65 59.23 2qmu h LYS 59 Cb 0.86 -0.24 0.01 0.00 0.08 0.00 0.00 32.23 32.93 2qmu h LYS 59 CO -0.40 0.71 -0.26 0.82 -0.57 0.00 0.00 179.45 179.75 2qmu h ILE 60 N 1.11 0.38 -0.58 1.86 2.04 -1.26 1.52 117.51 122.58 2qmu h ILE 60 Ca 0.41 -0.33 0.00 0.00 1.00 0.00 0.00 64.86 65.94 2qmu h ILE 60 Cb 0.14 0.49 -0.03 0.00 -0.74 0.00 0.00 36.82 36.69 2qmu h ILE 60 CO -0.17 0.04 0.37 0.00 0.00 0.00 0.00 178.15 178.40 2qmu h MET 62 N 0.79 -0.80 -0.26 0.00 -1.53 -0.29 0.18 114.93 113.01 2qmu h MET 62 Ca 0.21 0.05 0.06 0.00 -3.44 0.00 0.00 59.70 56.58 2qmu h MET 62 Cb -0.07 0.18 -0.08 0.00 -0.55 0.00 0.00 31.60 31.09 2qmu h MET 62 CO -0.04 -0.49 -0.37 -0.22 0.14 0.00 0.00 176.91 175.93 2qmu h LYS 63 N -1.00 -0.35 0.03 0.39 3.64 0.26 0.36 116.57 119.90 2qmu h LYS 63 Ca -0.08 0.02 -0.00 0.00 -1.27 0.00 0.00 60.65 59.32 2qmu h LYS 63 Cb 0.68 0.08 -0.00 0.00 -0.41 0.00 0.00 32.23 32.58 2qmu h LYS 63 CO 0.14 -0.23 -0.02 -0.92 -2.27 0.00 0.00 179.45 176.14 2qmu h TYR 64 N -0.36 -0.06 -1.17 1.91 3.20 -1.13 0.18 116.97 119.54 2qmu h TYR 64 Ca 0.12 -0.00 0.33 0.00 3.14 0.00 0.00 58.73 62.33 2qmu h TYR 64 Cb 0.57 0.02 -0.09 0.00 1.54 0.00 0.00 36.73 38.77 2qmu h TYR 64 CO -0.51 -0.03 0.78 1.25 -1.64 0.00 0.00 178.16 178.01 2qmu h LEU 65 N -0.05 0.28 0.16 2.82 5.85 -0.52 -0.15 115.31 123.70 2qmu h LEU 65 Ca -0.00 0.07 -0.01 0.00 0.84 0.00 0.00 57.88 58.78 2qmu h LEU 65 Cb 0.04 0.04 0.00 0.00 0.37 0.00 0.00 40.66 41.11 2qmu h LEU 65 CO 0.00 -0.00 -0.08 0.25 -0.34 0.00 0.00 178.44 178.28 2qmu h LEU 66 N 0.22 -0.18 -0.75 2.25 5.85 -0.14 -2.60 115.31 119.96 2qmu h LEU 66 Ca 0.65 -0.32 0.17 0.00 0.84 0.00 0.00 57.88 59.22 2qmu h LEU 66 Cb 2.01 0.05 -0.13 0.00 0.37 0.00 0.00 40.66 42.95 2qmu h LEU 66 CO -0.25 0.39 -0.03 0.50 -0.34 0.00 0.00 178.44 178.71 2qmu h LYS 67 N -0.93 0.08 -0.78 1.25 3.64 0.10 0.66 116.57 120.60 2qmu h LYS 67 Ca -0.02 -0.00 -0.02 0.00 -1.27 0.00 0.00 60.65 59.33 2qmu h LYS 67 Cb 0.49 -0.02 -0.04 0.00 -0.41 0.00 0.00 32.23 32.26 2qmu h LYS 67 CO 0.04 0.05 0.40 0.93 -2.27 0.00 0.00 179.45 178.60 2qmu h GLU 68 N 0.08 1.10 0.00 1.90 4.39 -1.22 -2.43 114.58 118.40 2qmu h GLU 68 Ca 0.40 -0.15 -0.09 0.00 0.34 0.00 0.00 59.36 59.86 2qmu h GLU 68 Cb 0.69 -0.21 -0.01 0.00 -0.10 0.00 0.00 28.75 29.12 2qmu h GLU 68 CO -0.68 0.84 -0.43 -0.07 -1.16 0.00 0.00 179.01 177.50 2qmu h LEU 69 N 1.09 0.00 0.20 1.33 3.38 0.06 -3.47 115.31 117.90 2qmu h LEU 69 Ca 0.27 0.00 -0.25 0.00 0.09 0.00 0.00 57.88 57.99 2qmu h LEU 69 Cb 0.08 0.00 0.04 0.00 0.09 0.00 0.00 40.66 40.87 2qmu h LEU 69 CO -0.04 0.43 -0.37 0.00 0.09 0.00 0.00 178.44 178.55 2qmu n ALA 70 N -2.41 -0.62 -2.25 1.53 0.00 0.19 -5.02 120.51 111.93 2qmu n ALA 70 Ca -0.01 0.19 -0.13 0.00 0.00 0.00 0.00 53.44 53.49 2qmu n ALA 70 Cb 0.48 -2.71 -0.10 0.00 0.00 0.00 0.00 19.45 17.12 2qmu n ALA 70 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2qmu s ALA 71 N -2.96 1.23 0.50 0.00 0.00 -1.20 -5.06 121.76 114.26 2qmu s ALA 71 Ca 0.21 -1.40 -0.02 0.00 0.00 0.00 0.00 51.96 50.76 2qmu s ALA 71 Cb -0.09 0.09 0.00 0.00 0.00 0.00 0.00 23.12 23.11 2qmu s ALA 71 CO 0.26 -0.14 0.74 -1.25 0.00 0.00 0.00 175.76 175.37 2qmu s PRO 72 N -3.65 3.01 0.00 0.00 0.04 -1.26 -4.68 135.00 128.46 2qmu s PRO 72 Ca 0.13 -0.35 0.00 0.00 0.04 0.00 0.00 61.00 60.82 2qmu s PRO 72 Cb 0.03 -2.47 0.00 0.00 0.04 0.00 0.00 34.50 32.10 2qmu s PRO 72 CO -0.01 -0.41 0.00 0.41 0.04 0.00 0.00 177.00 177.02 2qmu n GLY 73 N -2.24 2.19 0.92 0.56 0.00 -1.26 0.22 105.19 105.57 2qmu n GLY 73 Ca 0.03 -0.99 -0.04 0.00 0.00 0.00 0.00 46.02 45.02 2qmu n GLY 73 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2qmu n ASN 74 N 0.00 -0.39 -4.55 1.61 4.13 -1.18 -5.00 115.26 109.88 2qmu n ASN 74 Ca 0.00 -1.50 -0.34 0.00 1.68 0.00 0.00 54.58 54.42 2qmu n ASN 74 Cb 0.00 0.71 -0.12 0.00 -1.54 0.00 0.00 39.78 38.83 2qmu n ASN 74 CO 0.00 0.00 0.00 -0.69 0.28 0.00 0.00 177.26 176.85 2qmu s VAL 75 N -2.55 3.57 1.02 2.41 1.01 -1.26 -1.87 120.40 122.72 2qmu s VAL 75 Ca 0.08 -0.53 -0.17 0.00 0.00 0.00 0.00 61.98 61.36 2qmu s VAL 75 Cb -0.00 -2.46 -0.00 0.00 0.00 0.00 0.00 36.38 33.92 2qmu s VAL 75 CO 0.05 0.59 -0.18 -0.67 0.00 0.00 0.00 175.10 174.89 2qmu n ASP 76 N 2.37 -2.96 -0.00 3.32 2.03 0.33 -4.80 116.55 116.84 2qmu n ASP 76 Ca -0.18 0.11 0.14 0.00 0.52 0.00 0.00 54.79 55.38 2qmu n ASP 76 Cb 0.53 -0.96 0.61 0.00 -0.72 0.00 0.00 41.12 40.58 2qmu n ASP 76 CO 0.00 0.00 0.00 -0.90 -1.92 0.00 0.00 177.20 174.38 2qmu n ASP 77 N -0.01 0.04 -2.59 1.67 5.75 -1.26 -3.05 116.55 117.10 2qmu n ASP 77 Ca 0.02 0.40 -0.29 0.00 -0.01 0.00 0.00 54.79 54.91 2qmu n ASP 77 Cb 0.60 -0.43 0.00 0.00 -1.03 0.00 0.00 41.12 40.26 2qmu n ASP 77 CO 0.00 0.00 0.00 0.29 -0.11 0.00 0.00 177.20 177.38 2qmu n LYS 78 N -1.48 3.35 -4.24 0.11 5.02 -1.26 -4.97 118.16 114.69 2qmu n LYS 78 Ca 0.07 -4.41 -0.30 0.00 -2.02 0.00 0.00 58.31 51.66 2qmu n LYS 78 Cb 0.33 -2.25 -0.10 0.00 -0.02 0.00 0.00 35.03 32.99 2qmu n LYS 78 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2qmu n GLY 79 N -0.46 -0.12 3.37 0.72 0.00 -1.17 -4.95 105.19 102.58 2qmu n GLY 79 Ca 0.40 0.17 -0.30 0.00 0.00 0.00 0.00 46.02 46.29 2qmu n GLY 79 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2qmu s GLU 80 N -7.20 1.92 -0.27 1.61 2.02 -1.26 -2.14 118.70 113.38 2qmu s GLU 80 Ca 0.00 -1.05 -0.13 0.00 0.02 0.00 0.00 54.97 53.82 2qmu s GLU 80 Cb -0.00 -2.05 -0.04 0.00 0.10 0.00 0.00 34.13 32.14 2qmu s GLU 80 CO 0.96 0.53 0.28 -1.17 0.02 0.00 0.00 175.26 175.88 2qmu s LEU 81 N -1.19 4.03 -0.41 1.80 2.96 -1.16 0.12 118.68 124.83 2qmu s LEU 81 Ca 0.12 0.14 -0.07 0.00 -0.22 0.00 0.00 54.13 54.11 2qmu s LEU 81 Cb -0.10 -2.27 0.09 0.00 0.50 0.00 0.00 46.19 44.41 2qmu s LEU 81 CO 0.02 -0.11 0.23 -0.69 -1.32 0.00 0.00 176.35 174.49 2qmu s VAL 82 N 1.88 3.82 -0.33 1.68 1.01 -0.78 -1.87 120.40 125.81 2qmu s VAL 82 Ca 0.11 -1.66 -0.20 0.00 0.00 0.00 0.00 61.98 60.23 2qmu s VAL 82 Cb -0.16 -3.44 -0.00 0.00 0.00 0.00 0.00 36.38 32.78 2qmu s VAL 82 CO 0.10 -0.57 0.63 -0.63 0.00 0.00 0.00 175.10 174.64 2qmu s ILE 83 N 1.31 4.91 -0.90 2.22 1.01 -0.57 -3.10 121.20 126.09 2qmu s ILE 83 Ca 0.04 0.74 -0.21 0.00 0.00 0.00 0.00 60.65 61.22 2qmu s ILE 83 Cb -0.23 -4.03 -0.13 0.00 0.01 0.00 0.00 42.46 38.08 2qmu s ILE 83 CO -0.01 -0.22 1.94 0.00 0.00 0.00 0.00 174.94 176.66 2qmu n GLN 84 N 5.96 1.66 0.00 2.79 6.02 0.13 -2.34 117.38 131.59 2qmu n GLN 84 Ca -0.01 -2.03 0.00 0.00 -0.01 0.00 0.00 57.00 54.95 2qmu n GLN 84 Cb 0.49 -3.08 0.00 0.00 1.02 0.00 0.00 30.24 28.66 2qmu n GLN 84 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2qmu n GLY 85 N 4.71 2.18 3.36 1.08 0.00 -0.59 -4.33 105.19 111.61 2qmu n GLY 85 Ca 0.49 -0.10 -0.45 0.00 0.00 0.00 0.00 46.02 45.96 2qmu n GLY 85 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2qmu s LYS 86 N -1.22 3.15 0.14 1.61 2.20 -1.16 -2.17 119.74 122.29 2qmu s LYS 86 Ca 0.00 -1.56 0.05 0.00 -0.36 0.00 0.00 55.97 54.10 2qmu s LYS 86 Cb 0.00 -4.34 -0.04 0.00 -1.51 0.00 0.00 37.83 31.94 2qmu s LYS 86 CO 0.00 -1.50 0.11 -0.06 -0.36 0.00 0.00 175.35 173.55 2qmu s PHE 87 N 2.21 3.14 0.07 4.03 0.40 -1.26 -4.96 117.98 121.60 2qmu s PHE 87 Ca 0.13 -0.00 -0.31 0.00 -0.60 0.00 0.00 56.93 56.15 2qmu s PHE 87 Cb -0.22 -1.53 -0.07 0.00 0.51 0.00 0.00 43.02 41.71 2qmu s PHE 87 CO 0.03 0.52 1.47 -1.54 0.70 0.00 0.00 175.22 176.39 2qmu s SER 88 N -2.91 6.77 0.28 1.36 1.04 -1.26 -4.88 113.70 114.10 2qmu s SER 88 Ca 0.30 2.31 0.05 0.00 0.48 0.00 0.00 55.95 59.09 2qmu s SER 88 Cb -0.11 -2.57 0.76 0.00 0.10 0.00 0.00 66.02 64.21 2qmu s SER 88 CO 0.23 -0.74 1.38 -0.24 0.98 0.00 0.00 173.24 174.85 2qmu n SER 89 N 4.82 -0.03 0.20 7.02 2.88 -1.26 -2.18 113.62 125.06 2qmu n SER 89 Ca 0.13 1.49 -0.10 0.00 -1.33 0.00 0.00 58.87 59.06 2qmu n SER 89 Cb 0.42 -0.57 -0.05 0.00 -0.75 0.00 0.00 64.21 63.25 2qmu n SER 89 CO 0.00 0.00 0.00 1.56 -1.23 0.00 0.00 175.04 175.37 2qmu h GLN 90 N 0.00 -0.57 -1.24 -1.46 4.20 -2.02 -2.95 115.11 111.08 2qmu h GLN 90 Ca 0.57 0.04 0.36 0.00 0.06 0.00 0.00 58.65 59.68 2qmu h GLN 90 Cb 1.26 0.13 -0.05 0.00 0.30 0.00 0.00 27.48 29.11 2qmu h GLN 90 CO -0.80 -0.38 0.90 0.28 -0.67 0.00 0.00 178.83 178.16 2qmu h VAL 91 N -0.59 0.37 -0.11 -0.54 2.07 -1.84 0.23 116.25 115.84 2qmu h VAL 91 Ca -0.05 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.48 2qmu h VAL 91 Cb 0.49 0.38 -0.01 0.00 -1.52 0.00 0.00 31.29 30.63 2qmu h VAL 91 CO 0.02 0.00 0.07 0.40 0.02 0.00 0.00 177.57 178.08 2qmu h ILE 92 N 0.00 1.02 0.44 4.57 2.04 -1.48 -1.57 117.51 122.53 2qmu h ILE 92 Ca 0.59 -0.05 -0.02 0.00 1.00 0.00 0.00 64.86 66.38 2qmu h ILE 92 Cb 2.38 0.86 0.00 0.00 -0.74 0.00 0.00 36.82 39.32 2qmu h ILE 92 CO -0.01 0.03 -0.21 0.78 0.00 0.00 0.00 178.15 178.74 2qmu h ASN 93 N 0.15 -0.51 -0.86 1.72 2.35 -0.57 0.28 115.58 118.13 2qmu h ASN 93 Ca 0.04 0.02 0.22 0.00 -0.55 0.00 0.00 56.30 56.03 2qmu h ASN 93 Cb -0.01 0.13 -0.14 0.00 0.05 0.00 0.00 38.32 38.35 2qmu h ASN 93 CO -0.01 -0.36 0.19 0.74 -1.65 0.00 0.00 177.43 176.34 2qmu h THR 94 N -0.60 0.32 0.00 2.81 2.02 -1.30 0.72 112.91 116.88 2qmu h THR 94 Ca -0.06 -0.07 -0.16 0.00 0.77 0.00 0.00 66.41 66.89 2qmu h THR 94 Cb 0.46 0.11 -0.02 0.00 -1.74 0.00 0.00 68.15 66.96 2qmu h THR 94 CO 0.10 0.03 -0.76 -0.07 0.37 0.00 0.00 175.52 175.19 2qmu h LEU 95 N 0.19 0.00 -0.01 2.58 3.38 -0.99 -3.03 115.31 117.42 2qmu h LEU 95 Ca 0.53 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.49 2qmu h LEU 95 Cb 1.04 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.79 2qmu h LEU 95 CO -0.66 0.76 -0.01 -0.03 0.09 0.00 0.00 178.44 178.59 2qmu h MET 96 N 0.00 0.03 -0.33 1.13 4.05 0.39 -2.21 114.93 117.99 2qmu h MET 96 Ca -0.01 -0.02 0.05 0.00 -0.28 0.00 0.00 59.70 59.44 2qmu h MET 96 Cb 1.45 0.00 -0.04 0.00 -0.80 0.00 0.00 31.60 32.21 2qmu h MET 96 CO 0.10 0.53 0.06 0.93 0.23 0.00 0.00 176.91 178.75 2qmu h GLU 97 N -0.46 0.16 -1.01 0.39 5.08 -0.26 0.33 114.58 118.81 2qmu h GLU 97 Ca 0.00 -0.01 0.25 0.00 -1.00 0.00 0.00 59.36 58.60 2qmu h GLU 97 Cb 0.52 -0.04 -0.09 0.00 0.50 0.00 0.00 28.75 29.65 2qmu h GLU 97 CO 0.00 0.11 0.65 -0.09 -1.00 0.00 0.00 179.01 178.68 2qmu h ARG 98 N 0.17 0.43 -0.48 2.33 1.12 -1.52 0.71 114.38 117.15 2qmu h ARG 98 Ca 0.16 -0.03 -0.06 0.00 -1.11 0.00 0.00 59.98 58.94 2qmu h ARG 98 Cb 0.18 -0.10 -0.02 0.00 -0.01 0.00 0.00 29.97 30.02 2qmu h ARG 98 CO -0.21 0.28 0.05 0.35 -3.11 0.00 0.00 179.97 177.32 2qmu h PHE 99 N 0.44 0.87 0.23 2.20 3.57 0.25 -2.39 116.94 122.10 2qmu h PHE 99 Ca 0.58 -0.13 -0.01 0.00 3.53 0.00 0.00 57.97 61.93 2qmu h PHE 99 Cb 1.39 -0.23 0.00 0.00 2.79 0.00 0.00 35.95 39.89 2qmu h PHE 99 CO -0.00 0.82 -0.11 -0.07 -2.23 0.00 0.00 178.31 176.72 2qmu h LEU 100 N 0.67 -0.26 -0.23 0.59 3.38 0.15 0.56 115.31 120.18 2qmu h LEU 100 Ca 0.14 -0.02 0.05 0.00 0.09 0.00 0.00 57.88 58.14 2qmu h LEU 100 Cb 0.44 0.07 -0.07 0.00 0.09 0.00 0.00 40.66 41.18 2qmu h LEU 100 CO 0.02 -0.15 -0.44 0.11 0.09 0.00 0.00 178.44 178.06 2qmu h LYS 101 N -0.34 -0.43 0.00 1.13 1.79 -0.59 0.23 116.57 118.36 2qmu h LYS 101 Ca -0.03 0.03 -0.13 0.00 -2.18 0.00 0.00 60.65 58.33 2qmu h LYS 101 Cb 0.26 0.10 -0.02 0.00 -1.58 0.00 0.00 32.23 30.99 2qmu h LYS 101 CO 0.05 -0.29 -0.64 0.00 -1.08 0.00 0.00 179.45 177.50 2qmu h ALA 102 N 0.18 0.77 0.00 3.86 0.00 -1.41 -3.37 119.26 119.29 2qmu h ALA 102 Ca 0.09 -0.58 0.00 0.00 0.00 0.00 0.00 54.91 54.42 2qmu h ALA 102 Cb 0.62 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.30 2qmu h ALA 102 CO -0.46 0.80 0.00 0.66 0.00 0.00 0.00 179.25 180.24 2qmu n TYR 103 N -3.53 0.00 0.00 0.00 4.02 0.18 -4.90 117.16 112.93 2qmu n TYR 103 Ca -0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.89 2qmu n TYR 103 Cb 0.69 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 40.01 2qmu n TYR 103 CO 0.00 0.00 0.00 1.55 -1.01 0.00 0.00 176.86 177.40 2qmu n VAL 104 N -0.38 0.00 -2.13 -0.72 3.14 0.66 -4.92 118.33 113.98 2qmu n VAL 104 Ca 0.00 0.00 -0.42 0.00 -2.96 0.00 0.00 64.34 60.96 2qmu n VAL 104 Cb 0.01 -0.46 -0.03 0.00 -1.06 0.00 0.00 33.84 32.30 2qmu n VAL 104 CO 0.00 0.00 0.00 -0.70 -6.46 0.00 0.00 176.83 169.67 2qmu s GLU 105 N -1.74 4.32 0.31 1.45 2.12 -0.38 -4.28 118.70 120.50 2qmu s GLU 105 Ca 0.00 2.13 -0.29 0.00 0.36 0.00 0.00 54.97 57.18 2qmu s GLU 105 Cb 0.00 -3.21 -0.10 0.00 0.26 0.00 0.00 34.13 31.08 2qmu s GLU 105 CO 0.00 -0.42 1.17 0.00 -0.54 0.00 0.00 175.26 175.47 2qmu h SER 107 N 3.50 0.89 -0.05 0.00 0.87 -1.94 -0.21 113.55 116.61 2qmu h SER 107 Ca -0.48 -0.66 -0.00 0.00 -1.23 0.00 0.00 61.79 59.42 2qmu h SER 107 Cb 1.22 -0.27 -0.00 0.00 -0.44 0.00 0.00 62.40 62.91 2qmu h SER 107 CO 0.66 1.42 0.03 0.74 -0.53 0.00 0.00 176.83 179.15 2qmu h THR 108 N 0.43 1.06 0.00 2.23 2.02 -1.96 -3.40 112.91 113.30 2qmu h THR 108 Ca -0.07 -0.17 0.00 0.00 0.77 0.00 0.00 66.41 66.93 2qmu h THR 108 Cb 1.45 1.09 0.00 0.00 -1.74 0.00 0.00 68.15 68.95 2qmu h THR 108 CO 0.16 0.05 0.00 0.00 0.37 0.00 0.00 175.52 176.11 2qmu n LYS 110 N -0.29 -0.40 -0.23 0.00 5.02 -0.09 -4.96 118.16 117.21 2qmu n LYS 110 Ca 0.00 0.59 0.02 0.00 -2.02 0.00 0.00 58.31 56.90 2qmu n LYS 110 Cb 0.04 -4.34 0.14 0.00 -0.02 0.00 0.00 35.03 30.85 2qmu n LYS 110 CO 0.00 0.00 0.00 1.03 -0.52 0.00 0.00 177.40 177.91 2qmu h SER 111 N 0.00 0.35 0.00 4.39 0.87 -1.93 -3.41 113.55 113.82 2qmu h SER 111 Ca -0.12 0.08 0.00 0.00 -1.23 0.00 0.00 61.79 60.52 2qmu h SER 111 Cb 0.54 0.03 0.00 0.00 -0.44 0.00 0.00 62.40 62.53 2qmu h SER 111 CO 0.16 0.19 0.00 0.18 -0.53 0.00 0.00 176.83 176.83 2qmu n LEU 112 N -4.93 0.05 -3.94 2.23 4.77 -1.26 -4.91 117.00 109.01 2qmu n LEU 112 Ca 0.11 0.00 -0.43 0.00 -0.03 0.00 0.00 56.01 55.66 2qmu n LEU 112 Cb 0.30 -0.08 0.01 0.00 -2.33 0.00 0.00 43.42 41.32 2qmu n LEU 112 CO 0.23 -0.03 1.36 0.47 -1.33 0.00 0.00 177.39 178.09 2qmu n ASP 113 N 0.00 6.23 -4.40 -1.43 9.92 -1.26 -4.89 116.55 120.72 2qmu n ASP 113 Ca 0.00 -3.36 -0.20 0.00 -0.53 0.00 0.00 54.79 50.70 2qmu n ASP 113 Cb 0.00 -1.31 -0.10 0.00 -0.64 0.00 0.00 41.12 39.06 2qmu n ASP 113 CO 0.00 0.00 0.00 0.42 0.13 0.00 0.00 177.20 177.75 2qmu s THR 114 N -2.17 1.09 0.35 -3.53 -4.23 -1.26 -1.09 115.64 104.81 2qmu s THR 114 Ca 0.34 -2.02 0.05 0.00 -1.18 0.00 0.00 61.69 58.88 2qmu s THR 114 Cb 0.07 -2.66 0.05 0.00 1.34 0.00 0.00 72.50 71.30 2qmu s THR 114 CO 0.07 -0.08 0.38 -0.38 -0.54 0.00 0.00 174.62 174.06 2qmu n ILE 115 N -0.59 0.00 -3.31 2.99 5.41 -0.24 -4.62 119.36 118.99 2qmu n ILE 115 Ca -0.03 -1.28 -0.14 0.00 1.00 0.00 0.00 62.75 62.30 2qmu n ILE 115 Cb 0.66 -0.45 -0.06 0.00 -0.71 0.00 0.00 39.64 39.07 2qmu n ILE 115 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 176.55 176.33 2qmu s LEU 116 N 0.00 -0.26 1.17 1.39 2.96 -1.26 -2.38 118.68 120.30 2qmu s LEU 116 Ca 0.29 -1.57 -0.15 0.00 -0.22 0.00 0.00 54.13 52.48 2qmu s LEU 116 Cb -0.02 0.78 0.27 0.00 0.50 0.00 0.00 46.19 47.72 2qmu s LEU 116 CO 0.18 -0.23 1.04 -0.54 -1.32 0.00 0.00 176.35 175.49 2qmu s LYS 117 N 1.37 -0.96 -0.24 1.98 1.02 0.62 -4.82 119.74 118.71 2qmu s LYS 117 Ca 0.18 0.47 -0.26 0.00 0.02 0.00 0.00 55.97 56.39 2qmu s LYS 117 Cb -0.12 -1.58 0.07 0.00 -0.52 0.00 0.00 37.83 35.68 2qmu s LYS 117 CO -0.04 -3.65 0.73 0.15 -0.92 0.00 0.00 175.35 171.62 2qmu s LYS 118 N -4.84 0.85 0.06 1.68 1.02 -1.26 -2.94 119.74 114.31 2qmu s LYS 118 Ca 0.68 0.86 0.00 0.00 0.02 0.00 0.00 55.97 57.54 2qmu s LYS 118 Cb -0.19 0.41 -0.00 0.00 -0.52 0.00 0.00 37.83 37.53 2qmu s LYS 118 CO 0.60 -0.13 0.07 0.39 -0.92 0.00 0.00 175.35 175.36 2qmu n GLU 119 N 2.39 0.10 0.00 1.68 1.02 -1.08 -4.98 120.64 119.76 2qmu n GLU 119 Ca -0.15 -0.52 0.00 0.00 -0.02 0.00 0.00 57.16 56.47 2qmu n GLU 119 Cb 0.55 0.47 0.00 0.00 -0.02 0.00 0.00 31.44 32.44 2qmu n GLU 119 CO 0.00 0.00 0.00 1.17 1.18 0.00 0.00 177.13 179.48 2qmu n LYS 120 N -0.10 0.00 -1.38 3.49 0.00 -1.26 -3.59 118.16 115.32 2qmu n LYS 120 Ca 0.01 0.58 0.04 0.00 0.00 0.00 0.00 58.31 58.94 2qmu n LYS 120 Cb 0.10 -0.90 0.04 0.00 0.00 0.00 0.00 35.03 34.28 2qmu n LYS 120 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.40 179.03 2qmu n LYS 121 N -2.34 0.18 -3.73 1.64 5.02 -1.26 -5.03 118.16 112.64 2qmu n LYS 121 Ca 0.00 -2.13 -0.25 0.00 -2.02 0.00 0.00 58.31 53.91 2qmu n LYS 121 Cb 0.00 -0.20 -0.17 0.00 -0.02 0.00 0.00 35.03 34.64 2qmu n LYS 121 CO 0.00 0.00 0.00 -1.12 -0.52 0.00 0.00 177.40 175.76 2qmu s SER 122 N -2.12 2.11 0.07 4.39 0.01 -1.24 -4.71 113.70 112.20 2qmu s SER 122 Ca 0.34 -0.40 0.01 0.00 1.31 0.00 0.00 55.95 57.21 2qmu s SER 122 Cb 0.38 -0.44 -0.04 0.00 0.21 0.00 0.00 66.02 66.13 2qmu s SER 122 CO -0.15 -0.26 0.20 0.26 0.41 0.00 0.00 173.24 173.69 2qmu s TRP 123 N 1.97 3.47 0.01 2.43 0.52 -1.24 -2.65 118.94 123.46 2qmu s TRP 123 Ca 0.03 0.22 0.01 0.00 0.02 0.00 0.00 56.10 56.38 2qmu s TRP 123 Cb -0.14 -1.74 -0.01 0.00 -1.15 0.00 0.00 33.47 30.43 2qmu s TRP 123 CO -0.07 0.58 -0.04 0.71 0.02 0.00 0.00 176.95 178.15 2qmu s TYR 124 N -1.51 0.33 0.04 -1.98 1.51 -1.15 -0.88 117.35 113.72 2qmu s TYR 124 Ca 0.34 -0.19 -0.25 0.00 -1.01 0.00 0.00 57.07 55.96 2qmu s TYR 124 Cb -0.13 -0.21 -0.05 0.00 -0.11 0.00 0.00 41.96 41.45 2qmu s TYR 124 CO 0.27 -0.04 0.76 0.42 -1.11 0.00 0.00 175.55 175.85 2qmu s ILE 125 N -0.48 4.74 -0.26 2.71 1.01 -0.40 -0.28 121.20 128.24 2qmu s ILE 125 Ca -0.03 1.62 0.00 0.00 0.00 0.00 0.00 60.65 62.24 2qmu s ILE 125 Cb -0.04 -4.11 0.08 0.00 0.01 0.00 0.00 42.46 38.40 2qmu s ILE 125 CO -0.00 0.36 0.01 -0.69 0.00 0.00 0.00 174.94 174.62 2qmu s VAL 126 N -0.03 1.32 0.20 2.92 1.01 -1.00 -1.72 120.40 123.10 2qmu s VAL 126 Ca 0.38 -1.33 -0.31 0.00 0.00 0.00 0.00 61.98 60.72 2qmu s VAL 126 Cb -0.20 -1.78 -0.10 0.00 0.00 0.00 0.00 36.38 34.30 2qmu s VAL 126 CO 0.23 -0.34 1.48 0.00 0.00 0.00 0.00 175.10 176.47 2qmu n LEU 128 N 3.17 0.46 0.00 0.00 4.77 -0.25 -2.61 117.00 122.54 2qmu n LEU 128 Ca 0.10 0.13 0.00 0.00 -0.03 0.00 0.00 56.01 56.21 2qmu n LEU 128 Cb 0.40 -0.28 0.00 0.00 -2.33 0.00 0.00 43.42 41.21 2qmu n LEU 128 CO 0.61 0.06 0.00 0.00 -1.33 0.00 0.00 177.39 176.73 2qmu n ALA 129 N -1.57 0.00 0.18 -1.18 0.00 -1.26 -4.74 120.51 111.94 2qmu n ALA 129 Ca 0.05 -0.11 0.05 0.00 0.00 0.00 0.00 53.44 53.43 2qmu n ALA 129 Cb 0.36 0.00 0.32 0.00 0.00 0.00 0.00 19.45 20.13 2qmu n ALA 129 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2qmu n GLY 131 N 0.20 0.79 3.90 0.00 0.00 -1.07 -5.03 105.19 103.97 2qmu n GLY 131 Ca -0.00 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.73 2qmu n GLY 131 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2qmu s ALA 132 N -3.13 3.35 -0.40 4.61 0.00 -1.26 -4.67 121.76 120.25 2qmu s ALA 132 Ca 0.00 -0.41 0.02 0.00 0.00 0.00 0.00 51.96 51.57 2qmu s ALA 132 Cb 0.00 -2.67 0.11 0.00 0.00 0.00 0.00 23.12 20.56 2qmu s ALA 132 CO 0.00 -0.36 0.14 -0.65 0.00 0.00 0.00 175.76 174.89 2qmu s GLN 133 N -4.71 1.73 -0.51 0.00 -0.21 -1.25 -1.86 119.66 112.85 2qmu s GLN 133 Ca 0.49 -2.05 -0.28 0.00 0.02 0.00 0.00 55.36 53.53 2qmu s GLN 133 Cb -0.10 -3.33 0.01 0.00 1.00 0.00 0.00 33.01 30.59 2qmu s GLN 133 CO 0.45 -1.01 1.47 0.99 -2.12 0.00 0.00 175.29 175.07 2qmu s THR 134 N 0.65 3.77 0.13 -0.19 2.01 -0.70 -4.71 115.64 116.59 2qmu s THR 134 Ca 0.12 0.69 -0.31 0.00 0.31 0.00 0.00 61.69 62.50 2qmu s THR 134 Cb -0.21 -4.29 -0.09 0.00 0.01 0.00 0.00 72.50 67.91 2qmu s THR 134 CO -0.06 -1.00 1.57 -2.16 -0.69 0.00 0.00 174.62 172.29 2qmu s PRO 135 N 5.49 4.22 0.14 4.92 0.04 -1.26 -1.28 135.00 147.26 2qmu s PRO 135 Ca 0.57 2.32 0.10 0.00 0.04 0.00 0.00 61.00 64.04 2qmu s PRO 135 Cb -0.12 -3.29 -0.04 0.00 0.04 0.00 0.00 34.50 31.08 2qmu s PRO 135 CO 0.27 -0.63 -0.24 0.14 0.04 0.00 0.00 177.00 176.58 2qmu s VAL 136 N 1.58 2.09 -0.68 -0.36 -7.23 -0.06 -4.95 120.40 110.80 2qmu s VAL 136 Ca 0.71 -1.76 -0.26 0.00 -1.81 0.00 0.00 61.98 58.86 2qmu s VAL 136 Cb -0.42 -1.89 -0.06 0.00 0.56 0.00 0.00 36.38 34.58 2qmu s VAL 136 CO 0.31 -0.02 2.10 -0.75 -0.31 0.00 0.00 175.10 176.43 2qmu s LYS 137 N -2.18 2.32 -0.87 4.82 2.20 -1.26 -3.59 119.74 121.18 2qmu s LYS 137 Ca 0.13 0.57 -0.30 0.00 -0.36 0.00 0.00 55.97 56.01 2qmu s LYS 137 Cb -0.09 -4.66 -0.19 0.00 -1.51 0.00 0.00 37.83 31.38 2qmu s LYS 137 CO 0.06 -3.29 2.62 -0.35 -0.36 0.00 0.00 175.35 174.03 2qmu n PRO 138 N 9.01 0.24 0.00 4.03 -0.04 -1.26 -5.02 135.00 141.96 2qmu n PRO 138 Ca 0.33 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.79 2qmu n PRO 138 Cb 0.50 -1.93 0.00 0.00 -0.04 0.00 0.00 33.50 32.03 2qmu n PRO 138 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74