#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2qal h ARG 3 N 0.00 0.37 -6.76 -0.14 2.43 -2.13 -3.42 114.38 104.73 2qal h ARG 3 Ca 0.00 -0.02 -0.53 0.00 -0.81 0.00 0.00 59.98 58.62 2qal h ARG 3 Cb 0.00 -0.08 0.22 0.00 -0.42 0.00 0.00 29.97 29.68 2qal h ARG 3 CO 0.00 0.24 -0.63 -2.13 -1.51 0.00 0.00 179.97 175.95 2qal n ARG 4 N -4.47 -0.29 -3.03 0.20 3.00 -1.26 -5.00 116.66 105.81 2qal n ARG 4 Ca 0.15 -0.04 -0.17 0.00 -0.00 0.00 0.00 57.85 57.78 2qal n ARG 4 Cb 0.56 -1.82 -0.02 0.00 0.00 0.00 0.00 32.46 31.18 2qal n ARG 4 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.63 178.96 2qal n VAL 5 N -3.56 -0.37 0.00 5.15 0.24 -1.26 -5.09 118.33 113.43 2qal n VAL 5 Ca 0.06 -3.19 0.00 0.00 -2.04 0.00 0.00 64.34 59.17 2qal n VAL 5 Cb 0.54 -0.47 0.00 0.00 -1.47 0.00 0.00 33.84 32.44 2qal n VAL 5 CO 0.00 0.00 0.00 2.30 -2.14 0.00 0.00 176.83 176.99 2qal n ILE 6 N 1.23 0.00 0.00 1.34 -6.64 -1.26 -5.06 119.36 108.97 2qal n ILE 6 Ca 0.17 0.00 0.00 0.00 -1.77 0.00 0.00 62.75 61.15 2qal n ILE 6 Cb 0.59 -0.44 0.00 0.00 -1.44 0.00 0.00 39.64 38.35 2qal n ILE 6 CO 0.00 0.00 0.00 0.61 -1.77 0.00 0.00 176.55 175.39 2qal n GLY 7 N 0.00 0.12 3.19 3.28 0.00 -1.26 -5.04 105.19 105.47 2qal n GLY 7 Ca 0.00 -0.84 -0.38 0.00 0.00 0.00 0.00 46.02 44.80 2qal n GLY 7 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 2qal s GLN 8 N -1.20 2.32 -0.27 1.61 -0.44 -1.26 -5.04 119.66 115.37 2qal s GLN 8 Ca 0.00 -1.65 -0.28 0.00 -2.50 0.00 0.00 55.36 50.93 2qal s GLN 8 Cb 0.00 -3.67 -0.05 0.00 -1.64 0.00 0.00 33.01 27.65 2qal s GLN 8 CO 0.00 -1.02 2.22 0.50 0.50 0.00 0.00 175.29 177.49 2qal s ARG 9 N 1.28 2.99 0.04 1.67 3.52 -1.26 -4.87 118.95 122.32 2qal s ARG 9 Ca 0.05 1.89 -0.36 0.00 -0.13 0.00 0.00 55.73 57.19 2qal s ARG 9 Cb -0.23 -4.39 -0.15 0.00 -1.56 0.00 0.00 34.95 28.62 2qal s ARG 9 CO -0.01 -2.27 1.57 1.17 -0.81 0.00 0.00 175.30 174.94 2qal n LYS 10 N 8.79 1.69 -3.99 5.12 4.81 -1.26 -4.96 118.16 128.36 2qal n LYS 10 Ca 0.30 0.61 -0.32 0.00 -0.87 0.00 0.00 58.31 58.04 2qal n LYS 10 Cb 0.46 -2.34 -0.05 0.00 0.02 0.00 0.00 35.03 33.12 2qal n LYS 10 CO 0.00 0.00 0.00 0.42 1.17 0.00 0.00 177.40 178.99 2qal s ILE 11 N 1.59 5.02 0.09 3.15 1.09 -1.26 -5.07 121.20 125.80 2qal s ILE 11 Ca 0.85 -0.47 -0.31 0.00 -1.10 0.00 0.00 60.65 59.63 2qal s ILE 11 Cb -0.82 -3.39 -0.07 0.00 -1.06 0.00 0.00 42.46 37.11 2qal s ILE 11 CO 0.46 0.21 1.37 -0.22 -0.10 0.00 0.00 174.94 176.66 2qal s LEU 12 N -2.24 4.36 0.79 2.97 1.98 -1.26 -4.96 118.68 120.32 2qal s LEU 12 Ca 0.30 2.26 -0.15 0.00 -2.89 0.00 0.00 54.13 53.65 2qal s LEU 12 Cb -0.13 -3.58 0.01 0.00 0.66 0.00 0.00 46.19 43.16 2qal s LEU 12 CO 0.22 -0.64 0.74 -0.81 -1.89 0.00 0.00 176.35 173.97 2qal n PRO 13 N 4.17 0.20 -1.69 0.98 -0.04 -1.26 -4.79 135.00 132.56 2qal n PRO 13 Ca 0.11 0.12 -0.44 0.00 -0.04 0.00 0.00 63.50 63.26 2qal n PRO 13 Cb 0.43 -2.05 -0.03 0.00 -0.04 0.00 0.00 33.50 31.81 2qal n PRO 13 CO 0.00 0.00 0.00 -3.47 -0.04 0.00 0.00 175.50 171.99 2qal n ASP 14 N -1.43 3.41 0.24 3.54 -0.08 -1.22 -4.81 116.55 116.19 2qal n ASP 14 Ca 0.11 1.09 -0.10 0.00 -1.51 0.00 0.00 54.79 54.38 2qal n ASP 14 Cb 0.51 -1.49 -0.05 0.00 2.34 0.00 0.00 41.12 42.43 2qal n ASP 14 CO 0.00 0.00 0.00 1.55 0.12 0.00 0.00 177.20 178.87 2qal h PRO 15 N 5.74 -0.62 0.00 -0.67 0.13 -1.94 0.31 132.00 134.94 2qal h PRO 15 Ca -0.45 0.04 0.00 0.00 -0.87 0.00 0.00 66.00 64.73 2qal h PRO 15 Cb 1.24 0.14 0.00 0.00 0.13 0.00 0.00 31.00 32.51 2qal h PRO 15 CO 0.87 -0.42 0.00 -0.22 -0.23 0.00 0.00 178.00 178.01 2qal h LYS 16 N -1.04 0.00 0.00 0.86 3.64 -2.03 -3.40 116.57 114.60 2qal h LYS 16 Ca -0.07 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.31 2qal h LYS 16 Cb 0.50 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.32 2qal h LYS 16 CO 0.11 0.00 0.00 1.19 -2.27 0.00 0.00 179.45 178.48 2qal n PHE 17 N -2.39 0.00 0.00 1.91 3.01 -1.23 -5.10 117.46 113.65 2qal n PHE 17 Ca 0.01 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.47 2qal n PHE 17 Cb 0.17 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 39.64 2qal n PHE 17 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 2qal n GLY 18 N 2.93 0.57 3.33 1.37 0.00 0.11 -4.88 105.19 108.63 2qal n GLY 18 Ca 0.00 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.67 2qal n GLY 18 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2qal s SER 19 N -0.65 4.39 0.21 1.61 1.04 -1.26 -4.40 113.70 114.64 2qal s SER 19 Ca 0.00 -0.36 -0.09 0.00 0.48 0.00 0.00 55.95 55.97 2qal s SER 19 Cb 0.00 -1.76 0.31 0.00 0.10 0.00 0.00 66.02 64.68 2qal s SER 19 CO 0.00 -0.01 1.70 -0.33 0.98 0.00 0.00 173.24 175.58 2qal h GLU 20 N 8.05 0.25 -0.09 4.02 5.08 -1.93 0.01 114.58 129.97 2qal h GLU 20 Ca -0.41 -0.01 0.04 0.00 -1.00 0.00 0.00 59.36 57.98 2qal h GLU 20 Cb 1.16 -0.06 -0.04 0.00 0.50 0.00 0.00 28.75 30.31 2qal h GLU 20 CO 0.60 0.16 -0.18 1.37 -1.00 0.00 0.00 179.01 179.97 2qal h LEU 21 N 0.26 -0.54 -0.88 1.33 -0.00 -1.97 -1.71 115.31 111.79 2qal h LEU 21 Ca 0.33 0.09 0.07 0.00 -0.00 0.00 0.00 57.88 58.36 2qal h LEU 21 Cb 0.49 0.24 -0.06 0.00 -0.00 0.00 0.00 40.66 41.33 2qal h LEU 21 CO -0.42 -0.23 0.55 0.25 -0.00 0.00 0.00 178.44 178.59 2qal h LEU 22 N -0.25 0.86 0.30 0.17 6.46 -1.73 -2.35 115.31 118.77 2qal h LEU 22 Ca 0.08 0.02 -0.00 0.00 -0.12 0.00 0.00 57.88 57.86 2qal h LEU 22 Cb 0.36 -0.16 -0.03 0.00 -0.73 0.00 0.00 40.66 40.10 2qal h LEU 22 CO -0.23 0.54 -0.46 0.00 -0.62 0.00 0.00 178.44 177.67 2qal h ALA 23 N 1.42 -1.04 -0.27 1.25 0.00 -0.15 -1.67 119.26 118.80 2qal h ALA 23 Ca 0.39 -0.14 0.08 0.00 0.00 0.00 0.00 54.91 55.24 2qal h ALA 23 Cb 0.20 0.76 -0.01 0.00 0.00 0.00 0.00 17.79 18.74 2qal h ALA 23 CO -0.18 -1.11 0.21 -0.22 0.00 0.00 0.00 179.25 177.95 2qal h LYS 24 N -0.80 0.00 -0.47 0.00 3.64 -1.23 0.15 116.57 117.87 2qal h LYS 24 Ca -0.03 0.00 -0.02 0.00 -1.27 0.00 0.00 60.65 59.32 2qal h LYS 24 Cb 0.74 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 32.53 2qal h LYS 24 CO -0.14 0.00 0.20 0.35 -2.27 0.00 0.00 179.45 177.59 2qal h PHE 25 N 0.00 0.65 -0.19 1.91 3.57 -0.78 -1.07 116.94 121.04 2qal h PHE 25 Ca 0.13 -0.02 -0.17 0.00 3.53 0.00 0.00 57.97 61.43 2qal h PHE 25 Cb 0.55 -0.21 -0.00 0.00 2.79 0.00 0.00 35.95 39.08 2qal h PHE 25 CO 0.00 0.50 -0.58 -0.39 -2.23 0.00 0.00 178.31 175.61 2qal h VAL 26 N 0.66 1.31 -0.41 1.41 -1.51 -0.21 -2.91 116.25 114.59 2qal h VAL 26 Ca 0.16 -1.83 -0.04 0.00 -1.23 0.00 0.00 66.70 63.76 2qal h VAL 26 Cb 0.11 1.79 -0.02 0.00 -2.13 0.00 0.00 31.29 31.05 2qal h VAL 26 CO -0.02 0.57 0.09 0.78 -1.23 0.00 0.00 177.57 177.77 2qal h ASN 27 N 0.47 0.62 -0.85 4.19 2.35 -1.07 0.45 115.58 121.75 2qal h ASN 27 Ca 0.00 -0.24 0.09 0.00 -0.55 0.00 0.00 56.30 55.60 2qal h ASN 27 Cb 1.15 -0.16 -0.07 0.00 0.05 0.00 0.00 38.32 39.29 2qal h ASN 27 CO 0.11 0.70 0.50 0.40 -1.65 0.00 0.00 177.43 177.49 2qal h ILE 28 N 0.52 0.95 0.00 2.81 1.08 -1.19 -0.77 117.51 120.91 2qal h ILE 28 Ca 0.13 -0.29 -0.14 0.00 -0.39 0.00 0.00 64.86 64.16 2qal h ILE 28 Cb 0.32 0.01 -0.02 0.00 -3.07 0.00 0.00 36.82 34.07 2qal h ILE 28 CO 0.00 0.16 -0.69 0.25 -0.69 0.00 0.00 178.15 177.18 2qal h LEU 29 N 0.86 0.00 -9.98 1.44 6.46 -1.29 -3.46 115.31 109.34 2qal h LEU 29 Ca 0.40 0.00 -0.54 0.00 -0.12 0.00 0.00 57.88 57.62 2qal h LEU 29 Cb 0.32 0.00 0.19 0.00 -0.73 0.00 0.00 40.66 40.44 2qal h LEU 29 CO -0.23 0.69 -0.00 0.80 -0.62 0.00 0.00 178.44 179.08 2qal n MET 30 N -3.33 0.16 -3.71 1.25 1.56 0.16 -4.94 117.12 108.27 2qal n MET 30 Ca 0.01 0.12 -0.14 0.00 -0.27 0.00 0.00 57.70 57.42 2qal n MET 30 Cb 0.79 -2.18 -0.09 0.00 2.15 0.00 0.00 33.22 33.88 2qal n MET 30 CO 0.00 0.00 0.00 0.54 -0.73 0.00 0.00 175.97 175.78 2qal s VAL 31 N -2.09 0.02 -1.60 1.12 0.11 -1.26 -4.90 120.40 111.80 2qal s VAL 31 Ca 0.69 -0.14 0.00 0.00 -2.93 0.00 0.00 61.98 59.60 2qal s VAL 31 Cb -0.30 -0.67 0.00 0.00 -1.53 0.00 0.00 36.38 33.88 2qal s VAL 31 CO 0.55 -0.08 0.00 0.47 -3.33 0.00 0.00 175.10 172.71 2qal n ASP 32 N 2.14 -5.11 -1.52 3.54 10.43 -1.26 -0.98 116.55 123.80 2qal n ASP 32 Ca -0.16 0.13 -0.17 0.00 2.57 0.00 0.00 54.79 57.16 2qal n ASP 32 Cb 0.57 -4.33 -0.05 0.00 1.84 0.00 0.00 41.12 39.14 2qal n ASP 32 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 2qal n GLY 33 N -0.83 1.05 2.92 0.44 0.00 -1.26 -4.89 105.19 102.61 2qal n GLY 33 Ca -0.21 -0.19 -0.43 0.00 0.00 0.00 0.00 46.02 45.20 2qal n GLY 33 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2qal n LYS 34 N -2.55 4.10 -0.17 1.61 5.02 -0.15 -4.81 118.16 121.22 2qal n LYS 34 Ca -0.18 -4.05 0.07 0.00 -2.02 0.00 0.00 58.31 52.12 2qal n LYS 34 Cb 0.59 -2.71 0.37 0.00 -0.02 0.00 0.00 35.03 33.26 2qal n LYS 34 CO 0.00 0.00 0.00 -0.22 -0.52 0.00 0.00 177.40 176.66 2qal h LYS 35 N 5.54 0.70 0.33 1.97 3.64 -1.90 -2.53 116.57 124.31 2qal h LYS 35 Ca 0.31 -0.04 -0.02 0.00 -1.27 0.00 0.00 60.65 59.63 2qal h LYS 35 Cb 0.61 -0.16 0.00 0.00 -0.41 0.00 0.00 32.23 32.27 2qal h LYS 35 CO 1.48 0.46 -0.16 0.66 -2.27 0.00 0.00 179.45 179.62 2qal h SER 36 N 0.72 -0.37 -0.92 4.20 4.64 -1.98 -2.54 113.55 117.29 2qal h SER 36 Ca 0.30 -0.12 0.20 0.00 -0.47 0.00 0.00 61.79 61.70 2qal h SER 36 Cb 0.27 0.10 -0.07 0.00 -0.31 0.00 0.00 62.40 62.38 2qal h SER 36 CO -0.10 -0.09 0.60 0.74 -0.87 0.00 0.00 176.83 177.12 2qal h THR 37 N -0.67 0.68 0.91 2.95 2.02 -1.92 -0.75 112.91 116.14 2qal h THR 37 Ca -0.05 -0.16 -0.04 0.00 0.77 0.00 0.00 66.41 66.93 2qal h THR 37 Cb 0.47 0.19 0.01 0.00 -1.74 0.00 0.00 68.15 67.08 2qal h THR 37 CO 0.07 0.08 -0.44 0.00 0.37 0.00 0.00 175.52 175.61 2qal h ALA 38 N 1.61 -1.23 -0.85 6.16 0.00 -1.20 -2.82 119.26 120.93 2qal h ALA 38 Ca 0.48 -0.27 0.12 0.00 0.00 0.00 0.00 54.91 55.24 2qal h ALA 38 Cb 1.13 0.47 -0.06 0.00 0.00 0.00 0.00 17.79 19.33 2qal h ALA 38 CO -0.20 -1.17 0.55 0.93 0.00 0.00 0.00 179.25 179.36 2qal h GLU 39 N -1.27 0.71 0.00 0.00 5.08 -0.93 0.32 114.58 118.49 2qal h GLU 39 Ca -0.13 -0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.19 2qal h GLU 39 Cb 0.94 -0.16 0.00 0.00 0.50 0.00 0.00 28.75 30.03 2qal h GLU 39 CO 0.21 0.47 0.00 0.43 -1.00 0.00 0.00 179.01 179.11 2qal n SER 40 N -4.53 0.39 -0.08 1.42 7.64 -0.37 -2.26 113.62 115.82 2qal n SER 40 Ca 0.15 0.64 -0.12 0.00 1.01 0.00 0.00 58.87 60.55 2qal n SER 40 Cb 0.39 -0.70 -0.08 0.00 -1.01 0.00 0.00 64.21 62.81 2qal n SER 40 CO 0.00 0.00 0.00 -0.38 -3.01 0.00 0.00 175.04 171.65 2qal n ILE 41 N -1.98 0.97 0.30 0.44 5.41 0.87 -4.18 119.36 121.19 2qal n ILE 41 Ca 0.01 -0.37 -0.17 0.00 1.00 0.00 0.00 62.75 63.22 2qal n ILE 41 Cb 0.11 -1.12 -0.08 0.00 -0.71 0.00 0.00 39.64 37.83 2qal n ILE 41 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 176.55 177.13 2qal h VAL 42 N -0.03 0.31 -0.15 1.39 2.07 -0.63 -2.42 116.25 116.80 2qal h VAL 42 Ca -0.38 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.13 2qal h VAL 42 Cb 1.58 0.31 -0.01 0.00 -1.52 0.00 0.00 31.29 31.65 2qal h VAL 42 CO -0.07 0.00 0.05 1.88 0.02 0.00 0.00 177.57 179.45 2qal h TYR 43 N -0.82 0.23 -0.91 1.57 0.05 -1.72 0.54 116.97 115.91 2qal h TYR 43 Ca -0.06 -0.02 0.16 0.00 0.05 0.00 0.00 58.73 58.86 2qal h TYR 43 Cb 0.68 -0.07 -0.10 0.00 1.01 0.00 0.00 36.73 38.25 2qal h TYR 43 CO -0.11 0.33 0.50 0.66 -1.05 0.00 0.00 178.16 178.49 2qal h SER 44 N 0.06 0.63 0.86 3.88 4.64 -1.72 0.62 113.55 122.53 2qal h SER 44 Ca 0.05 0.09 -0.22 0.00 -0.47 0.00 0.00 61.79 61.24 2qal h SER 44 Cb 0.20 -0.01 -0.04 0.00 -0.31 0.00 0.00 62.40 62.24 2qal h SER 44 CO -0.00 0.25 -1.20 0.00 -0.87 0.00 0.00 176.83 175.01 2qal h ALA 45 N 1.59 0.53 0.00 5.18 0.00 -1.29 -2.69 119.26 122.57 2qal h ALA 45 Ca 0.50 -1.04 0.00 0.00 0.00 0.00 0.00 54.91 54.37 2qal h ALA 45 Cb 0.73 0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.59 2qal h ALA 45 CO -0.37 1.29 0.00 1.25 0.00 0.00 0.00 179.25 181.42 2qal h LEU 46 N 0.00 0.00 0.02 0.00 5.85 0.21 -2.90 115.31 118.49 2qal h LEU 46 Ca -0.10 0.00 -0.32 0.00 0.84 0.00 0.00 57.88 58.30 2qal h LEU 46 Cb 1.80 0.00 -0.04 0.00 0.37 0.00 0.00 40.66 42.79 2qal h LEU 46 CO 0.10 0.00 -1.76 -0.62 -0.34 0.00 0.00 178.44 175.82 2qal n GLU 47 N -2.65 0.61 0.31 1.25 -0.58 0.20 -2.42 120.64 117.35 2qal n GLU 47 Ca 0.02 0.42 0.19 0.00 -0.42 0.00 0.00 57.16 57.38 2qal n GLU 47 Cb 0.32 -1.67 1.01 0.00 -0.57 0.00 0.00 31.44 30.53 2qal n GLU 47 CO 0.00 0.00 0.00 1.15 -0.48 0.00 0.00 177.13 177.80 2qal h THR 48 N -0.75 0.12 0.00 2.62 2.02 -1.49 0.10 112.91 115.54 2qal h THR 48 Ca -0.46 0.00 -0.29 0.00 0.77 0.00 0.00 66.41 66.43 2qal h THR 48 Cb 1.54 0.87 -0.04 0.00 -1.74 0.00 0.00 68.15 68.78 2qal h THR 48 CO -0.20 0.00 -1.69 -0.11 0.37 0.00 0.00 175.52 173.89 2qal n LEU 49 N -3.21 1.90 0.04 2.58 0.00 -1.10 -3.90 117.00 113.30 2qal n LEU 49 Ca -0.02 0.40 0.22 0.00 0.00 0.00 0.00 56.01 56.61 2qal n LEU 49 Cb 0.21 -0.89 0.73 0.00 0.00 0.00 0.00 43.42 43.47 2qal n LEU 49 CO 0.20 0.31 1.19 0.00 0.00 0.00 0.00 177.39 179.10 2qal h ALA 50 N -0.74 2.29 0.56 1.96 0.00 -1.09 -0.82 119.26 121.42 2qal h ALA 50 Ca -0.44 -0.02 -0.03 0.00 0.00 0.00 0.00 54.91 54.42 2qal h ALA 50 Cb 1.35 0.04 0.01 0.00 0.00 0.00 0.00 17.79 19.19 2qal h ALA 50 CO -0.27 -0.72 -0.27 0.37 0.00 0.00 0.00 179.25 178.36 2qal h GLN 51 N 0.00 -0.73 -0.01 0.00 4.15 -1.15 -0.39 115.11 116.98 2qal h GLN 51 Ca 0.24 0.05 0.03 0.00 0.77 0.00 0.00 58.65 59.74 2qal h GLN 51 Cb 1.16 0.17 -0.05 0.00 0.21 0.00 0.00 27.48 28.97 2qal h GLN 51 CO -0.00 -0.43 -0.27 0.00 -1.93 0.00 0.00 178.83 176.20 2qal h ARG 52 N -1.10 -0.39 0.00 1.69 3.08 -1.31 0.25 114.38 116.60 2qal h ARG 52 Ca -0.08 0.03 -0.00 0.00 0.07 0.00 0.00 59.98 60.00 2qal h ARG 52 Cb 0.64 0.09 -0.00 0.00 0.08 0.00 0.00 29.97 30.77 2qal h ARG 52 CO 0.13 -0.26 -0.00 0.66 -1.07 0.00 0.00 179.97 179.43 2qal h SER 53 N -0.40 0.00 0.00 7.04 4.64 -1.34 -3.45 113.55 120.04 2qal h SER 53 Ca 0.07 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.39 2qal h SER 53 Cb 0.49 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.58 2qal h SER 53 CO -0.24 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 176.33 2qal n GLY 54 N -1.02 1.13 3.84 -0.77 0.00 0.88 -4.93 105.19 104.32 2qal n GLY 54 Ca -0.03 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.69 2qal n GLY 54 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2qal s LYS 55 N 0.00 2.79 0.37 1.61 -2.85 -1.24 -4.87 119.74 115.55 2qal s LYS 55 Ca 0.00 0.71 -0.25 0.00 -1.00 0.00 0.00 55.97 55.42 2qal s LYS 55 Cb 0.00 -1.99 -0.12 0.00 -2.06 0.00 0.00 37.83 33.66 2qal s LYS 55 CO 0.00 -1.14 0.98 0.45 0.10 0.00 0.00 175.35 175.74 2qal n SER 56 N -3.12 1.14 -0.22 0.03 2.88 -1.26 -4.68 113.62 108.39 2qal n SER 56 Ca 0.07 1.08 -0.09 0.00 -1.33 0.00 0.00 58.87 58.60 2qal n SER 56 Cb 0.55 -1.32 -0.07 0.00 -0.75 0.00 0.00 64.21 62.63 2qal n SER 56 CO 0.00 0.00 0.00 -0.33 -1.23 0.00 0.00 175.04 173.48 2qal h GLU 57 N 1.66 -0.10 0.00 -1.46 3.07 -1.87 0.12 114.58 116.00 2qal h GLU 57 Ca -0.43 0.01 0.00 0.00 -0.50 0.00 0.00 59.36 58.44 2qal h GLU 57 Cb 1.34 0.02 0.00 0.00 -0.84 0.00 0.00 28.75 29.27 2qal h GLU 57 CO 0.58 -0.07 0.36 1.37 -1.40 0.00 0.00 179.01 179.85 2qal h LEU 58 N -0.11 0.00 0.00 1.33 -0.00 -1.94 0.55 115.31 115.15 2qal h LEU 58 Ca 0.09 0.00 -0.04 0.00 -0.00 0.00 0.00 57.88 57.93 2qal h LEU 58 Cb 0.34 0.00 -0.01 0.00 -0.00 0.00 0.00 40.66 40.99 2qal h LEU 58 CO -0.58 0.00 -0.43 -0.33 -0.00 0.00 0.00 178.44 177.11 2qal h GLU 59 N 0.00 0.00 -0.02 0.17 5.08 -1.09 -2.10 114.58 116.62 2qal h GLU 59 Ca 0.00 0.00 0.01 0.00 -1.00 0.00 0.00 59.36 58.37 2qal h GLU 59 Cb 0.71 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.96 2qal h GLU 59 CO 0.00 0.32 0.02 0.00 -1.00 0.00 0.00 179.01 178.35 2qal h ALA 60 N -0.77 2.02 0.13 3.43 0.00 -0.93 0.10 119.26 123.24 2qal h ALA 60 Ca -0.07 -0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.84 2qal h ALA 60 Cb 0.57 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.37 2qal h ALA 60 CO -0.04 -0.03 -0.06 0.35 0.00 0.00 0.00 179.25 179.47 2qal h PHE 61 N 0.00 -0.16 0.47 0.00 3.57 -0.06 -2.31 116.94 118.45 2qal h PHE 61 Ca 0.01 -0.00 -0.02 0.00 3.53 0.00 0.00 57.97 61.49 2qal h PHE 61 Cb 0.04 0.05 -0.01 0.00 2.79 0.00 0.00 35.95 38.83 2qal h PHE 61 CO 0.00 0.17 -0.30 1.49 -2.23 0.00 0.00 178.31 177.44 2qal h GLU 62 N -0.51 -0.71 -0.65 1.11 4.22 -0.51 -2.40 114.58 115.14 2qal h GLU 62 Ca -0.02 0.05 0.13 0.00 0.08 0.00 0.00 59.36 59.60 2qal h GLU 62 Cb 0.40 0.16 -0.12 0.00 0.50 0.00 0.00 28.75 29.69 2qal h GLU 62 CO 0.03 -0.47 -0.20 0.28 -2.18 0.00 0.00 179.01 176.46 2qal h VAL 63 N -0.74 0.29 -0.51 0.32 2.07 -0.91 0.24 116.25 117.01 2qal h VAL 63 Ca -0.05 0.00 0.10 0.00 0.82 0.00 0.00 66.70 67.57 2qal h VAL 63 Cb 0.61 0.29 -0.09 0.00 -1.52 0.00 0.00 31.29 30.59 2qal h VAL 63 CO 0.04 0.00 -0.01 0.00 0.02 0.00 0.00 177.57 177.63 2qal h ALA 64 N 1.53 0.48 -0.59 1.67 0.00 -1.15 -1.55 119.26 119.64 2qal h ALA 64 Ca 0.30 0.16 -0.06 0.00 0.00 0.00 0.00 54.91 55.31 2qal h ALA 64 Cb 0.51 0.27 -0.02 0.00 0.00 0.00 0.00 17.79 18.54 2qal h ALA 64 CO -0.69 -0.39 0.15 -0.07 0.00 0.00 0.00 179.25 178.25 2qal h LEU 65 N 0.11 0.90 -1.82 0.00 4.07 -0.33 -3.02 115.31 115.22 2qal h LEU 65 Ca 0.26 -0.23 0.45 0.00 0.08 0.00 0.00 57.88 58.44 2qal h LEU 65 Cb 0.40 -0.24 -0.08 0.00 1.08 0.00 0.00 40.66 41.82 2qal h LEU 65 CO -0.44 0.90 1.07 -0.33 -1.08 0.00 0.00 178.44 178.56 2qal h GLU 66 N 0.86 0.04 0.00 1.13 5.08 0.42 -0.07 114.58 122.04 2qal h GLU 66 Ca 0.19 -0.00 -0.04 0.00 -1.00 0.00 0.00 59.36 58.50 2qal h GLU 66 Cb 0.35 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.58 2qal h GLU 66 CO 0.00 0.03 -0.30 -0.91 -1.00 0.00 0.00 179.01 176.83 2qal h ASN 67 N 0.05 0.00 0.00 1.42 2.35 -1.51 -3.33 115.58 114.55 2qal h ASN 67 Ca 0.78 -0.42 0.00 0.00 -0.55 0.00 0.00 56.30 56.11 2qal h ASN 67 Cb 2.89 0.00 0.00 0.00 0.05 0.00 0.00 38.32 41.26 2qal h ASN 67 CO -0.13 0.88 0.00 0.52 -1.65 0.00 0.00 177.43 177.05 2qal n VAL 68 N -4.64 1.24 -3.72 2.81 0.31 -0.11 -4.70 118.33 109.52 2qal n VAL 68 Ca -0.10 -0.26 -0.38 0.00 -0.01 0.00 0.00 64.34 63.60 2qal n VAL 68 Cb 0.32 -1.21 -0.11 0.00 -0.91 0.00 0.00 33.84 31.92 2qal n VAL 68 CO 0.00 0.00 0.00 -0.13 -1.32 0.00 0.00 176.83 175.38 2qal s ARG 69 N 0.47 2.27 0.38 5.55 0.52 -0.79 -4.22 118.95 123.14 2qal s ARG 69 Ca 0.00 -1.65 -0.24 0.00 -0.52 0.00 0.00 55.73 53.32 2qal s ARG 69 Cb 0.00 -3.62 -0.10 0.00 0.52 0.00 0.00 34.95 31.75 2qal s ARG 69 CO 0.00 -1.00 0.99 -1.25 0.02 0.00 0.00 175.30 174.07 2qal s PRO 70 N 1.26 4.30 -0.11 3.54 0.04 -1.26 -4.97 135.00 137.80 2qal s PRO 70 Ca 0.05 1.36 0.13 0.00 0.04 0.00 0.00 61.00 62.58 2qal s PRO 70 Cb -0.23 -2.53 -0.18 0.00 0.04 0.00 0.00 34.50 31.59 2qal s PRO 70 CO -0.02 0.01 0.11 -2.37 0.04 0.00 0.00 177.00 174.78 2qal n THR 71 N -0.02 0.72 -3.94 1.26 5.66 -1.26 -4.78 114.28 111.92 2qal n THR 71 Ca 0.05 -0.52 -0.09 0.00 -3.05 0.00 0.00 64.05 60.43 2qal n THR 71 Cb 0.51 -0.44 -0.09 0.00 -1.55 0.00 0.00 70.33 68.75 2qal n THR 71 CO 0.00 0.00 0.00 0.68 -3.05 0.00 0.00 175.07 172.70 2qal s VAL 72 N -2.50 0.14 0.12 1.08 -7.23 -1.26 0.73 120.40 111.49 2qal s VAL 72 Ca -0.06 -1.15 -0.15 0.00 -1.81 0.00 0.00 61.98 58.80 2qal s VAL 72 Cb 0.05 -0.94 0.03 0.00 0.56 0.00 0.00 36.38 36.09 2qal s VAL 72 CO 0.57 -0.63 0.38 -1.83 -0.31 0.00 0.00 175.10 173.29 2qal s GLU 73 N -2.72 1.06 0.19 4.82 -1.05 0.13 -4.54 118.70 116.59 2qal s GLU 73 Ca -0.04 -0.74 -0.22 0.00 -0.15 0.00 0.00 54.97 53.82 2qal s GLU 73 Cb -0.01 0.46 -0.08 0.00 -0.44 0.00 0.00 34.13 34.06 2qal s GLU 73 CO -0.05 -0.41 0.73 0.14 0.95 0.00 0.00 175.26 176.62 2qal s VAL 74 N -3.81 4.51 -0.22 1.83 -7.23 -1.26 0.86 120.40 115.09 2qal s VAL 74 Ca 0.03 1.42 0.01 0.00 -1.81 0.00 0.00 61.98 61.64 2qal s VAL 74 Cb 0.02 -3.96 0.05 0.00 0.56 0.00 0.00 36.38 33.05 2qal s VAL 74 CO -0.12 0.35 -0.10 -0.75 -0.31 0.00 0.00 175.10 174.18 2qal s LYS 75 N -1.61 2.02 0.25 4.82 2.36 0.25 -4.89 119.74 122.94 2qal s LYS 75 Ca 0.39 -0.95 -0.29 0.00 -2.55 0.00 0.00 55.97 52.57 2qal s LYS 75 Cb -0.19 -2.53 -0.15 0.00 -1.05 0.00 0.00 37.83 33.91 2qal s LYS 75 CO 0.23 -0.48 0.94 0.45 1.55 0.00 0.00 175.35 178.03 2qal n SER 76 N 4.64 0.78 -3.55 1.43 2.88 -1.26 -3.43 113.62 115.10 2qal n SER 76 Ca -0.14 1.16 -0.14 0.00 -1.33 0.00 0.00 58.87 58.42 2qal n SER 76 Cb 0.45 -1.21 -0.12 0.00 -0.75 0.00 0.00 64.21 62.59 2qal n SER 76 CO 0.00 0.00 0.00 -0.60 -1.23 0.00 0.00 175.04 173.21 2qal s ARG 77 N -1.24 0.20 -1.20 -1.46 6.06 -1.11 -4.95 118.95 115.25 2qal s ARG 77 Ca 0.62 0.53 -0.11 0.00 -2.50 0.00 0.00 55.73 54.27 2qal s ARG 77 Cb -0.78 -0.52 0.21 0.00 0.06 0.00 0.00 34.95 33.92 2qal s ARG 77 CO 0.58 -0.47 1.49 0.54 -2.50 0.00 0.00 175.30 174.94 2qal n ARG 78 N 5.34 3.60 -4.03 5.12 5.12 -1.26 -1.46 116.66 129.09 2qal n ARG 78 Ca -0.06 -3.97 -0.33 0.00 -1.93 0.00 0.00 57.85 51.56 2qal n ARG 78 Cb 0.50 -2.85 -0.15 0.00 -1.16 0.00 0.00 32.46 28.79 2qal n ARG 78 CO 0.00 0.00 0.00 0.08 -1.93 0.00 0.00 177.63 175.78 2qal s VAL 79 N 0.20 2.42 0.00 1.55 1.01 -1.20 -4.76 120.40 119.62 2qal s VAL 79 Ca 0.38 -1.38 0.00 0.00 0.00 0.00 0.00 61.98 60.99 2qal s VAL 79 Cb -0.00 -2.32 0.00 0.00 0.00 0.00 0.00 36.38 34.05 2qal s VAL 79 CO -0.00 0.08 0.00 0.61 0.00 0.00 0.00 175.10 175.79 2qal n GLY 80 N 4.54 0.73 2.31 4.51 0.00 -1.26 -4.17 105.19 111.85 2qal n GLY 80 Ca -0.15 -0.40 -0.02 0.00 0.00 0.00 0.00 46.02 45.45 2qal n GLY 80 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2qal n GLY 81 N -0.95 -0.40 3.39 -0.02 0.00 -1.26 -4.86 105.19 101.08 2qal n GLY 81 Ca 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.94 2qal n GLY 81 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2qal s SER 82 N -1.90 -0.60 -1.03 1.61 1.04 -1.26 -5.10 113.70 106.46 2qal s SER 82 Ca 0.00 1.12 -0.23 0.00 0.48 0.00 0.00 55.95 57.33 2qal s SER 82 Cb 0.00 1.23 0.05 0.00 0.10 0.00 0.00 66.02 67.40 2qal s SER 82 CO 0.00 -0.22 1.46 0.42 0.98 0.00 0.00 173.24 175.88 2qal s THR 83 N 1.96 3.94 -0.11 2.02 -4.23 -1.26 -3.24 115.64 114.72 2qal s THR 83 Ca -0.07 -0.82 -0.28 0.00 -1.18 0.00 0.00 61.69 59.35 2qal s THR 83 Cb -0.09 -5.06 -0.02 0.00 1.34 0.00 0.00 72.50 68.67 2qal s THR 83 CO -0.15 -1.94 0.91 -0.31 -0.54 0.00 0.00 174.62 172.60 2qal s TYR 84 N 4.92 3.51 -0.55 3.99 4.12 -0.54 -4.83 117.35 127.97 2qal s TYR 84 Ca 0.46 1.46 -0.25 0.00 0.02 0.00 0.00 57.07 58.76 2qal s TYR 84 Cb 0.00 -3.08 0.04 0.00 -1.52 0.00 0.00 41.96 37.40 2qal s TYR 84 CO -0.09 -0.17 0.99 -0.65 0.02 0.00 0.00 175.55 175.65 2qal s GLN 85 N 1.79 3.38 -0.19 -0.62 -1.52 -1.26 -2.76 119.66 118.47 2qal s GLN 85 Ca 0.44 -0.13 -0.04 0.00 -1.95 0.00 0.00 55.36 53.69 2qal s GLN 85 Cb -0.18 -4.03 -0.02 0.00 -0.22 0.00 0.00 33.01 28.56 2qal s GLN 85 CO 0.17 -1.50 -0.03 0.08 -0.25 0.00 0.00 175.29 173.76 2qal s VAL 86 N 4.12 3.63 0.70 1.09 1.01 -1.22 -4.85 120.40 124.88 2qal s VAL 86 Ca 0.33 -0.42 -0.11 0.00 0.00 0.00 0.00 61.98 61.78 2qal s VAL 86 Cb -0.11 -2.63 0.01 0.00 0.00 0.00 0.00 36.38 33.65 2qal s VAL 86 CO 0.21 0.44 1.07 -2.16 0.00 0.00 0.00 175.10 174.66 2qal s PRO 87 N 1.03 2.93 -0.20 2.72 0.04 -1.26 0.88 135.00 141.13 2qal s PRO 87 Ca 0.01 0.73 -0.27 0.00 0.04 0.00 0.00 61.00 61.51 2qal s PRO 87 Cb -0.15 -2.01 0.10 0.00 0.04 0.00 0.00 34.50 32.49 2qal s PRO 87 CO 0.01 -1.05 0.86 0.54 0.04 0.00 0.00 177.00 177.40 2qal s VAL 88 N -3.17 0.00 0.21 -0.36 0.11 0.25 -4.80 120.40 112.64 2qal s VAL 88 Ca 0.58 0.00 -0.31 0.00 -2.93 0.00 0.00 61.98 59.31 2qal s VAL 88 Cb -0.13 -1.00 -0.11 0.00 -1.53 0.00 0.00 36.38 33.61 2qal s VAL 88 CO 0.54 0.00 1.62 -1.61 -3.33 0.00 0.00 175.10 172.32 2qal s GLU 89 N -0.31 4.17 0.06 1.54 8.01 -1.26 -0.69 118.70 130.21 2qal s GLU 89 Ca -0.02 2.48 -0.30 0.00 0.01 0.00 0.00 54.97 57.14 2qal s GLU 89 Cb -0.03 -3.10 -0.04 0.00 -4.31 0.00 0.00 34.13 26.64 2qal s GLU 89 CO 0.01 -0.65 0.99 0.14 0.01 0.00 0.00 175.26 175.76 2qal s VAL 90 N 0.89 4.62 0.98 2.63 -7.23 0.23 -4.89 120.40 117.63 2qal s VAL 90 Ca 0.70 2.01 -0.12 0.00 -1.81 0.00 0.00 61.98 62.75 2qal s VAL 90 Cb -0.46 -4.28 0.11 0.00 0.56 0.00 0.00 36.38 32.30 2qal s VAL 90 CO 0.35 0.23 0.68 0.54 -0.31 0.00 0.00 175.10 176.58 2qal n ARG 91 N 3.38 -0.69 0.19 4.82 3.00 -1.26 -4.76 116.66 121.34 2qal n ARG 91 Ca 0.05 -0.15 -0.15 0.00 -0.01 0.00 0.00 57.85 57.58 2qal n ARG 91 Cb 0.50 -2.05 -0.07 0.00 0.00 0.00 0.00 32.46 30.84 2qal n ARG 91 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.63 176.63 2qal h PRO 92 N -1.84 -0.61 -0.62 5.56 0.13 -1.99 -2.59 132.00 130.04 2qal h PRO 92 Ca -0.46 0.04 0.09 0.00 -0.87 0.00 0.00 66.00 64.80 2qal h PRO 92 Cb 1.29 0.14 -0.07 0.00 0.13 0.00 0.00 31.00 32.49 2qal h PRO 92 CO 0.38 -0.41 0.26 0.28 -0.23 0.00 0.00 178.00 178.29 2qal h VAL 93 N -0.63 0.81 -0.65 1.56 2.07 -2.02 -2.22 116.25 115.17 2qal h VAL 93 Ca -0.01 -0.16 0.04 0.00 0.82 0.00 0.00 66.70 67.39 2qal h VAL 93 Cb 0.58 0.30 -0.05 0.00 -1.52 0.00 0.00 31.29 30.61 2qal h VAL 93 CO -0.07 0.08 0.39 -0.09 0.02 0.00 0.00 177.57 177.91 2qal h ARG 94 N 0.47 0.72 -0.58 1.57 2.43 -1.90 -2.82 114.38 114.27 2qal h ARG 94 Ca 0.31 -0.04 0.10 0.00 -0.81 0.00 0.00 59.98 59.54 2qal h ARG 94 Cb 0.35 -0.16 -0.11 0.00 -0.42 0.00 0.00 29.97 29.63 2qal h ARG 94 CO -0.28 0.48 -0.34 -0.09 -1.51 0.00 0.00 179.97 178.22 2qal h ARG 95 N 0.74 -0.17 -0.43 0.20 2.43 -0.99 0.74 114.38 116.91 2qal h ARG 95 Ca 0.27 0.01 -0.03 0.00 -0.81 0.00 0.00 59.98 59.42 2qal h ARG 95 Cb 0.08 0.04 -0.02 0.00 -0.42 0.00 0.00 29.97 29.65 2qal h ARG 95 CO -0.13 -0.11 0.14 -0.91 -1.51 0.00 0.00 179.97 177.45 2qal h ASN 96 N -0.17 0.62 0.26 -3.80 4.21 -1.54 -2.62 115.58 112.54 2qal h ASN 96 Ca 0.22 -0.20 -0.01 0.00 1.21 0.00 0.00 56.30 57.53 2qal h ASN 96 Cb 0.55 -0.16 -0.01 0.00 -1.12 0.00 0.00 38.32 37.58 2qal h ASN 96 CO -0.68 0.66 -0.24 0.00 -1.29 0.00 0.00 177.43 175.88 2qal h ALA 97 N 0.99 -0.96 -0.74 -0.83 0.00 -0.97 -1.60 119.26 115.14 2qal h ALA 97 Ca 0.14 -0.10 0.15 0.00 0.00 0.00 0.00 54.91 55.11 2qal h ALA 97 Cb 0.25 0.46 -0.14 0.00 0.00 0.00 0.00 17.79 18.37 2qal h ALA 97 CO -0.01 -0.97 -0.13 -0.07 0.00 0.00 0.00 179.25 178.07 2qal h LEU 98 N -0.49 -0.58 0.02 0.00 3.38 -0.96 0.20 115.31 116.87 2qal h LEU 98 Ca -0.03 0.21 0.03 0.00 0.09 0.00 0.00 57.88 58.18 2qal h LEU 98 Cb 0.42 0.42 -0.05 0.00 0.09 0.00 0.00 40.66 41.54 2qal h LEU 98 CO -0.02 -0.23 -0.42 0.00 0.09 0.00 0.00 178.44 177.87 2qal h ALA 99 N 1.72 -0.69 -0.54 1.53 0.00 -1.29 0.22 119.26 120.22 2qal h ALA 99 Ca 0.37 -0.05 0.08 0.00 0.00 0.00 0.00 54.91 55.31 2qal h ALA 99 Cb 0.59 0.74 -0.06 0.00 0.00 0.00 0.00 17.79 19.06 2qal h ALA 99 CO -0.73 -0.96 0.19 0.52 0.00 0.00 0.00 179.25 178.26 2qal h MET 100 N -0.59 0.35 -0.30 0.00 2.86 -0.20 0.58 114.93 117.63 2qal h MET 100 Ca 0.04 -0.02 0.02 0.00 -2.06 0.00 0.00 59.70 57.68 2qal h MET 100 Cb 0.66 -0.08 -0.03 0.00 0.06 0.00 0.00 31.60 32.21 2qal h MET 100 CO -0.30 0.23 0.14 -0.09 1.06 0.00 0.00 176.91 177.95 2qal h ARG 101 N 0.36 0.29 -0.33 1.72 2.43 -0.33 -2.02 114.38 116.51 2qal h ARG 101 Ca 0.26 -0.02 -0.01 0.00 -0.81 0.00 0.00 59.98 59.41 2qal h ARG 101 Cb 0.30 -0.07 -0.02 0.00 -0.42 0.00 0.00 29.97 29.77 2qal h ARG 101 CO -0.27 0.19 0.17 -1.49 -1.51 0.00 0.00 179.97 177.06 2qal h TRP 102 N 0.30 0.45 -0.21 2.20 6.55 0.11 -0.92 115.95 124.43 2qal h TRP 102 Ca 0.13 -0.01 0.06 0.00 0.95 0.00 0.00 58.89 60.01 2qal h TRP 102 Cb 0.05 -0.14 -0.06 0.00 -0.86 0.00 0.00 29.16 28.15 2qal h TRP 102 CO -0.10 0.37 -0.19 0.82 -1.05 0.00 0.00 178.44 178.29 2qal h ILE 103 N 0.40 0.50 0.56 1.49 2.04 -0.60 -0.50 117.51 121.40 2qal h ILE 103 Ca 0.11 0.00 -0.03 0.00 1.00 0.00 0.00 64.86 65.95 2qal h ILE 103 Cb 0.08 0.50 0.01 0.00 -0.74 0.00 0.00 36.82 36.66 2qal h ILE 103 CO -0.02 0.00 -0.27 0.58 0.00 0.00 0.00 178.15 178.44 2qal h VAL 104 N -0.20 0.29 -1.10 1.67 2.07 -1.29 0.16 116.25 117.86 2qal h VAL 104 Ca 0.13 -0.37 0.30 0.00 0.82 0.00 0.00 66.70 67.58 2qal h VAL 104 Cb 0.38 0.40 -0.07 0.00 -1.52 0.00 0.00 31.29 30.48 2qal h VAL 104 CO -0.33 0.04 0.75 -0.08 0.02 0.00 0.00 177.57 177.97 2qal h GLU 105 N -1.03 0.20 0.13 1.57 4.81 -1.06 0.51 114.58 119.70 2qal h GLU 105 Ca -0.08 -0.01 -0.33 0.00 -0.13 0.00 0.00 59.36 58.81 2qal h GLU 105 Cb 0.64 -0.05 -0.01 0.00 0.63 0.00 0.00 28.75 29.97 2qal h GLU 105 CO 0.13 0.13 -1.70 0.00 -0.73 0.00 0.00 179.01 176.84 2qal h ALA 106 N 1.53 0.32 -0.65 2.92 0.00 -1.02 -3.35 119.26 119.02 2qal h ALA 106 Ca 0.59 -1.21 -0.09 0.00 0.00 0.00 0.00 54.91 54.20 2qal h ALA 106 Cb 1.86 0.43 -0.02 0.00 0.00 0.00 0.00 17.79 20.06 2qal h ALA 106 CO -0.18 1.19 0.06 0.00 0.00 0.00 0.00 179.25 180.32 2qal h ALA 107 N 0.36 0.87 -0.80 0.00 0.00 0.17 -2.87 119.26 116.99 2qal h ALA 107 Ca -0.31 -0.29 0.12 0.00 0.00 0.00 0.00 54.91 54.42 2qal h ALA 107 Cb 2.04 -0.24 -0.06 0.00 0.00 0.00 0.00 17.79 19.53 2qal h ALA 107 CO 0.14 0.67 0.53 0.00 0.00 0.00 0.00 179.25 180.59 2qal h ARG 108 N 1.02 0.64 -1.30 0.00 3.08 -0.25 -2.35 114.38 115.22 2qal h ARG 108 Ca 0.19 -0.04 -0.68 0.00 0.07 0.00 0.00 59.98 59.53 2qal h ARG 108 Cb 0.50 -0.14 -0.32 0.00 0.08 0.00 0.00 29.97 30.09 2qal h ARG 108 CO 0.02 0.42 0.52 1.17 -1.07 0.00 0.00 179.97 181.03 2qal n LYS 109 N -4.51 2.92 -0.23 0.04 0.00 -1.09 -4.59 118.16 110.70 2qal n LYS 109 Ca 0.14 -3.61 0.10 0.00 0.00 0.00 0.00 58.31 54.94 2qal n LYS 109 Cb 0.40 -2.28 0.26 0.00 0.00 0.00 0.00 35.03 33.41 2qal n LYS 109 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.40 177.94 2qal n ARG 110 N -0.74 2.22 -0.98 1.64 1.74 -0.88 -4.94 116.66 114.72 2qal n ARG 110 Ca 0.55 -1.89 -0.06 0.00 -0.77 0.00 0.00 57.85 55.69 2qal n ARG 110 Cb 0.58 -1.44 -0.03 0.00 -1.02 0.00 0.00 32.46 30.56 2qal n ARG 110 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2qal n GLY 111 N 1.36 0.56 0.00 -0.13 0.00 -1.26 -4.94 105.19 100.77 2qal n GLY 111 Ca 0.18 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.20 2qal n GLY 111 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2qal n ASP 112 N -0.11 0.00 -0.06 1.61 9.92 -1.26 -5.04 116.55 121.62 2qal n ASP 112 Ca -0.06 0.00 -0.05 0.00 -0.53 0.00 0.00 54.79 54.15 2qal n ASP 112 Cb 0.40 0.00 -0.02 0.00 -0.64 0.00 0.00 41.12 40.86 2qal n ASP 112 CO 0.00 0.00 0.00 0.29 0.13 0.00 0.00 177.20 177.62 2qal n LYS 113 N 0.00 0.33 -5.05 -1.24 4.76 -1.26 -5.01 118.16 110.69 2qal n LYS 113 Ca 0.00 0.23 -0.30 0.00 -2.87 0.00 0.00 58.31 55.37 2qal n LYS 113 Cb 0.00 -1.19 -0.15 0.00 -1.84 0.00 0.00 35.03 31.84 2qal n LYS 113 CO 0.00 0.00 0.00 -1.12 -1.37 0.00 0.00 177.40 174.91 2qal s SER 114 N -5.18 2.97 0.23 4.39 0.01 -1.26 -5.03 113.70 109.83 2qal s SER 114 Ca -0.16 -0.51 -0.11 0.00 1.31 0.00 0.00 55.95 56.48 2qal s SER 114 Cb 0.02 -0.30 0.33 0.00 0.21 0.00 0.00 66.02 66.29 2qal s SER 114 CO 0.24 0.27 1.39 0.80 0.41 0.00 0.00 173.24 176.36 2qal n MET 115 N 2.14 -0.13 -0.14 12.44 1.56 -1.26 -0.89 117.12 130.84 2qal n MET 115 Ca -0.16 1.39 -0.11 0.00 -0.27 0.00 0.00 57.70 58.54 2qal n MET 115 Cb 0.52 -2.06 -0.06 0.00 2.15 0.00 0.00 33.22 33.76 2qal n MET 115 CO 0.00 0.00 0.00 0.00 -0.73 0.00 0.00 175.97 175.24 2qal h ALA 116 N 1.57 -0.55 -0.47 -5.12 0.00 -1.96 0.13 119.26 112.85 2qal h ALA 116 Ca 0.38 0.04 0.07 0.00 0.00 0.00 0.00 54.91 55.41 2qal h ALA 116 Cb 0.60 0.98 -0.06 0.00 0.00 0.00 0.00 17.79 19.31 2qal h ALA 116 CO -0.91 -0.93 0.12 1.25 0.00 0.00 0.00 179.25 178.78 2qal h LEU 117 N -0.35 0.06 0.08 0.00 6.46 -1.40 -1.04 115.31 119.13 2qal h LEU 117 Ca 0.12 0.07 0.02 0.00 -0.12 0.00 0.00 57.88 57.97 2qal h LEU 117 Cb 0.59 0.09 -0.03 0.00 -0.73 0.00 0.00 40.66 40.58 2qal h LEU 117 CO -0.59 0.06 -0.21 0.03 -0.62 0.00 0.00 178.44 177.11 2qal h ARG 118 N 0.26 -0.37 -0.28 1.25 3.08 -0.80 -1.48 114.38 116.05 2qal h ARG 118 Ca 0.23 0.03 0.07 0.00 0.07 0.00 0.00 59.98 60.37 2qal h ARG 118 Cb 0.29 0.08 -0.08 0.00 0.08 0.00 0.00 29.97 30.34 2qal h ARG 118 CO -0.28 -0.25 -0.25 1.25 -1.07 0.00 0.00 179.97 179.37 2qal h LEU 119 N -0.38 -0.81 -0.44 3.04 5.85 -0.27 -0.76 115.31 121.54 2qal h LEU 119 Ca 0.04 0.15 0.09 0.00 0.84 0.00 0.00 57.88 58.99 2qal h LEU 119 Cb 0.42 0.39 -0.08 0.00 0.37 0.00 0.00 40.66 41.75 2qal h LEU 119 CO -0.14 -0.28 -0.10 0.00 -0.34 0.00 0.00 178.44 177.58 2qal h ALA 120 N 0.82 0.30 0.74 1.25 0.00 -0.83 0.21 119.26 121.76 2qal h ALA 120 Ca 0.15 0.17 -0.04 0.00 0.00 0.00 0.00 54.91 55.19 2qal h ALA 120 Cb 0.47 0.32 0.01 0.00 0.00 0.00 0.00 17.79 18.59 2qal h ALA 120 CO -0.42 -0.44 -0.36 -0.91 0.00 0.00 0.00 179.25 177.12 2qal h ASN 121 N 0.01 -0.84 -0.98 0.00 -0.26 -0.59 -2.38 115.58 110.53 2qal h ASN 121 Ca 0.21 0.02 0.14 0.00 -0.56 0.00 0.00 56.30 56.11 2qal h ASN 121 Cb 0.32 0.22 -0.09 0.00 -1.06 0.00 0.00 38.32 37.71 2qal h ASN 121 CO -0.44 -0.58 0.61 -0.08 -1.06 0.00 0.00 177.43 175.87 2qal h GLU 122 N -1.04 0.87 -0.61 0.81 4.57 -0.95 0.14 114.58 118.38 2qal h GLU 122 Ca -0.10 -0.05 0.01 0.00 -1.18 0.00 0.00 59.36 58.04 2qal h GLU 122 Cb 0.77 -0.20 -0.03 0.00 -0.16 0.00 0.00 28.75 29.14 2qal h GLU 122 CO 0.17 0.58 0.40 -0.07 -1.18 0.00 0.00 179.01 178.91 2qal h LEU 123 N 0.90 0.68 0.26 1.64 3.38 -0.81 -1.31 115.31 120.04 2qal h LEU 123 Ca 0.51 -0.02 -0.01 0.00 0.09 0.00 0.00 57.88 58.45 2qal h LEU 123 Cb 0.60 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 41.19 2qal h LEU 123 CO -0.30 0.48 -0.12 0.28 0.09 0.00 0.00 178.44 178.87 2qal h SER 124 N 0.79 -0.29 -1.33 -0.43 0.02 -0.25 -3.17 113.55 108.88 2qal h SER 124 Ca 0.23 0.01 0.42 0.00 -0.84 0.00 0.00 61.79 61.61 2qal h SER 124 Cb -0.05 0.08 -0.11 0.00 0.14 0.00 0.00 62.40 62.45 2qal h SER 124 CO -0.05 -0.00 0.88 0.44 -1.14 0.00 0.00 176.83 176.95 2qal h ASP 125 N -0.76 0.23 -0.23 3.07 5.19 -1.07 0.36 116.42 123.21 2qal h ASP 125 Ca -0.04 0.11 -0.01 0.00 -0.62 0.00 0.00 57.03 56.47 2qal h ASP 125 Cb 0.27 0.09 -0.01 0.00 0.18 0.00 0.00 39.33 39.86 2qal h ASP 125 CO 0.06 -0.12 0.09 0.00 -3.12 0.00 0.00 179.24 176.15 2qal h ALA 126 N 1.54 0.30 0.00 3.45 0.00 -1.28 0.47 119.26 123.74 2qal h ALA 126 Ca 0.79 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 55.58 2qal h ALA 126 Cb 2.52 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 20.22 2qal h ALA 126 CO -0.34 -0.10 0.00 0.00 0.00 0.00 0.00 179.25 178.81 2qal n ALA 127 N -2.25 1.20 -2.72 0.00 0.00 0.13 -1.95 120.51 114.92 2qal n ALA 127 Ca -0.03 0.00 -0.02 0.00 0.00 0.00 0.00 53.44 53.39 2qal n ALA 127 Cb 0.13 -0.80 0.10 0.00 0.00 0.00 0.00 19.45 18.88 2qal n ALA 127 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.50 176.65 2qal n GLU 128 N -0.91 1.47 -3.93 0.00 0.00 -1.02 -4.79 120.64 111.47 2qal n GLU 128 Ca 0.00 -1.95 -0.36 0.00 0.00 0.00 0.00 57.16 54.85 2qal n GLU 128 Cb 0.00 -0.22 0.01 0.00 0.00 0.00 0.00 31.44 31.23 2qal n GLU 128 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.13 177.22 2qal n ASN 129 N -1.23 -3.96 0.00 -1.84 4.13 -0.82 -4.86 115.26 106.68 2qal n ASN 129 Ca -0.10 -1.09 0.00 0.00 1.68 0.00 0.00 54.58 55.07 2qal n ASN 129 Cb 0.85 -1.44 0.00 0.00 -1.54 0.00 0.00 39.78 37.65 2qal n ASN 129 CO 0.00 0.00 0.00 1.17 0.28 0.00 0.00 177.26 178.71 2qal n LYS 130 N -3.90 0.00 -0.42 3.52 0.00 0.16 -5.01 118.16 112.51 2qal n LYS 130 Ca -0.17 0.00 -0.05 0.00 0.00 0.00 0.00 58.31 58.08 2qal n LYS 130 Cb 0.56 -0.75 0.04 0.00 0.00 0.00 0.00 35.03 34.88 2qal n LYS 130 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 2qal n GLY 131 N 2.95 -0.97 0.12 3.14 0.00 -1.13 -4.95 105.19 104.34 2qal n GLY 131 Ca 0.00 -1.71 -0.03 0.00 0.00 0.00 0.00 46.02 44.28 2qal n GLY 131 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 2qal h THR 132 N -1.06 1.49 -0.06 2.61 2.02 -1.94 -3.17 112.91 112.81 2qal h THR 132 Ca -0.08 -2.50 0.03 0.00 0.77 0.00 0.00 66.41 64.63 2qal h THR 132 Cb 0.22 2.36 -0.06 0.00 -1.74 0.00 0.00 68.15 68.93 2qal h THR 132 CO 0.06 0.71 -0.46 0.00 0.37 0.00 0.00 175.52 176.19 2qal h ALA 133 N 1.28 -0.73 -0.82 6.16 0.00 -1.92 -0.13 119.26 123.09 2qal h ALA 133 Ca -0.01 -0.04 0.03 0.00 0.00 0.00 0.00 54.91 54.89 2qal h ALA 133 Cb 1.30 0.84 -0.05 0.00 0.00 0.00 0.00 17.79 19.88 2qal h ALA 133 CO 0.09 -1.00 0.54 -0.39 0.00 0.00 0.00 179.25 178.50 2qal h VAL 134 N -0.58 1.15 -0.39 0.00 -1.51 -1.90 -2.47 116.25 110.55 2qal h VAL 134 Ca 0.05 -0.36 0.08 0.00 -1.23 0.00 0.00 66.70 65.24 2qal h VAL 134 Cb 0.67 0.02 -0.09 0.00 -2.13 0.00 0.00 31.29 29.76 2qal h VAL 134 CO -0.37 0.19 -0.20 0.50 -1.23 0.00 0.00 177.57 176.46 2qal h LYS 135 N 1.04 -0.13 -0.25 5.19 3.11 -1.05 -1.88 116.57 122.60 2qal h LYS 135 Ca 0.32 0.01 0.06 0.00 -2.81 0.00 0.00 60.65 58.23 2qal h LYS 135 Cb 0.00 0.03 -0.08 0.00 -1.00 0.00 0.00 32.23 31.18 2qal h LYS 135 CO -0.09 -0.08 -0.40 -0.22 -2.81 0.00 0.00 179.45 175.84 2qal h LYS 136 N -0.13 -0.39 -0.98 1.90 1.63 -0.72 -0.38 116.57 117.50 2qal h LYS 136 Ca 0.19 0.03 0.20 0.00 -0.85 0.00 0.00 60.65 60.22 2qal h LYS 136 Cb 0.43 0.09 -0.09 0.00 -0.60 0.00 0.00 32.23 32.05 2qal h LYS 136 CO -0.47 -0.26 0.62 -0.09 -3.45 0.00 0.00 179.45 175.80 2qal h ARG 137 N -0.40 0.59 -0.13 1.90 1.12 -1.37 0.26 114.38 116.36 2qal h ARG 137 Ca 0.11 -0.04 -0.01 0.00 -1.11 0.00 0.00 59.98 58.93 2qal h ARG 137 Cb 0.60 -0.13 -0.01 0.00 -0.01 0.00 0.00 29.97 30.42 2qal h ARG 137 CO -0.47 0.39 0.04 0.93 -3.11 0.00 0.00 179.97 177.76 2qal h GLU 138 N 0.61 0.20 -0.52 0.20 5.08 -0.34 0.47 114.58 120.29 2qal h GLU 138 Ca 0.54 -0.04 -0.08 0.00 -1.00 0.00 0.00 59.36 58.78 2qal h GLU 138 Cb 1.05 -0.03 -0.02 0.00 0.50 0.00 0.00 28.75 30.24 2qal h GLU 138 CO -0.30 0.33 -0.00 -0.44 -1.00 0.00 0.00 179.01 177.60 2qal h ASP 139 N 0.03 0.84 -0.17 1.42 3.32 -0.29 0.11 116.42 121.68 2qal h ASP 139 Ca 0.04 -0.22 -0.06 0.00 0.02 0.00 0.00 57.03 56.81 2qal h ASP 139 Cb 0.22 -0.22 -0.00 0.00 0.22 0.00 0.00 39.33 39.54 2qal h ASP 139 CO -0.00 0.91 -0.14 0.58 -1.72 0.00 0.00 179.24 178.87 2qal h VAL 140 N 0.81 1.33 -0.11 -1.35 2.07 -0.35 -1.51 116.25 117.14 2qal h VAL 140 Ca 0.15 -1.26 -0.08 0.00 0.82 0.00 0.00 66.70 66.33 2qal h VAL 140 Cb 0.49 1.78 -0.01 0.00 -1.52 0.00 0.00 31.29 32.03 2qal h VAL 140 CO 0.02 0.38 -0.29 0.45 0.02 0.00 0.00 177.57 178.15 2qal h HIS 141 N 0.05 0.21 0.00 1.57 3.86 0.06 -1.88 115.15 119.03 2qal h HIS 141 Ca 0.03 -0.04 -0.07 0.00 -1.16 0.00 0.00 60.37 59.13 2qal h HIS 141 Cb 0.65 -0.05 -0.01 0.00 1.06 0.00 0.00 27.41 29.06 2qal h HIS 141 CO 0.08 0.47 -0.35 -0.09 0.86 0.00 0.00 177.93 178.90 2qal h ARG 142 N 0.17 0.00 -0.04 2.45 2.43 -0.69 -2.76 114.38 115.94 2qal h ARG 142 Ca 0.03 0.00 -0.00 0.00 -0.81 0.00 0.00 59.98 59.20 2qal h ARG 142 Cb 0.61 0.00 -0.00 0.00 -0.42 0.00 0.00 29.97 30.15 2qal h ARG 142 CO 0.04 0.35 0.02 1.98 -1.51 0.00 0.00 179.97 180.86 2qal h MET 143 N 0.00 0.06 -7.33 0.20 4.05 -0.44 -3.29 114.93 108.19 2qal h MET 143 Ca -0.00 -0.01 -0.44 0.00 -0.28 0.00 0.00 59.70 58.97 2qal h MET 143 Cb 0.95 -0.01 0.17 0.00 -0.80 0.00 0.00 31.60 31.92 2qal h MET 143 CO 0.05 0.11 0.15 0.00 0.23 0.00 0.00 176.91 177.44 2qal s ALA 144 N -5.91 0.61 0.00 0.39 0.00 -1.04 -3.12 121.76 112.69 2qal s ALA 144 Ca -0.13 -0.45 0.00 0.00 0.00 0.00 0.00 51.96 51.37 2qal s ALA 144 Cb 0.06 -3.09 0.00 0.00 0.00 0.00 0.00 23.12 20.09 2qal s ALA 144 CO 0.67 -3.17 0.00 -1.91 0.00 0.00 0.00 175.76 171.35 2qal n GLU 145 N -4.43 0.00 0.00 0.00 4.07 -1.26 -4.13 120.64 114.89 2qal n GLU 145 Ca 0.06 0.00 0.07 0.00 -0.06 0.00 0.00 57.16 57.23 2qal n GLU 145 Cb 0.57 -0.00 0.41 0.00 -0.06 0.00 0.00 31.44 32.36 2qal n GLU 145 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 2qal n ALA 146 N 0.00 1.96 -0.88 4.31 0.00 -1.18 -0.30 120.51 124.41 2qal n ALA 146 Ca 0.00 -0.08 0.00 0.00 0.00 0.00 0.00 53.44 53.36 2qal n ALA 146 Cb 0.00 -1.24 0.00 0.00 0.00 0.00 0.00 19.45 18.21 2qal n ALA 146 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 2qal n ASN 147 N -1.10 0.22 0.20 0.00 3.02 -1.19 -4.82 115.26 111.59 2qal n ASN 147 Ca 0.10 -1.10 0.18 0.00 -0.03 0.00 0.00 54.58 53.72 2qal n ASN 147 Cb 0.07 0.00 0.78 0.00 -0.61 0.00 0.00 39.78 40.03 2qal n ASN 147 CO 0.00 0.00 0.00 0.50 -2.62 0.00 0.00 177.26 175.14 2qal h LYS 148 N 0.00 0.00 -0.43 3.52 3.64 -0.95 0.45 116.57 122.81 2qal h LYS 148 Ca 0.00 0.00 0.07 0.00 -1.27 0.00 0.00 60.65 59.45 2qal h LYS 148 Cb 0.88 0.00 -0.06 0.00 -0.41 0.00 0.00 32.23 32.64 2qal h LYS 148 CO 0.00 0.00 0.07 0.00 -2.27 0.00 0.00 179.45 177.25 2qal h ALA 149 N 1.46 0.45 0.00 5.00 0.00 -1.88 0.01 119.26 124.30 2qal h ALA 149 Ca 0.11 0.10 -0.12 0.00 0.00 0.00 0.00 54.91 54.99 2qal h ALA 149 Cb 0.86 0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.77 2qal h ALA 149 CO -0.00 -0.33 -0.59 0.74 0.00 0.00 0.00 179.25 179.06 2qal h PHE 150 N 0.19 0.00 0.00 0.00 -1.00 -1.25 -3.53 116.94 111.34 2qal h PHE 150 Ca 0.21 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.99 2qal h PHE 150 Cb 0.27 0.00 0.00 0.00 3.61 0.00 0.00 35.95 39.83 2qal h PHE 150 CO -0.22 0.59 0.00 0.00 -1.61 0.00 0.00 178.31 177.07