#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1inr h LEU 19 N 0.00 0.22 0.13 -4.53 3.38 -2.06 -2.91 115.31 109.54 1inr h LEU 19 Ca 0.00 -0.10 0.01 0.00 0.09 0.00 0.00 57.88 57.88 1inr h LEU 19 Cb 0.00 -0.06 -0.03 0.00 0.09 0.00 0.00 40.66 40.66 1inr h LEU 19 CO 0.00 0.67 -0.21 -0.65 0.09 0.00 0.00 178.44 178.34 1inr h PRO 20 N 0.17 -0.39 0.00 1.13 0.11 -2.05 -2.91 132.00 128.05 1inr h PRO 20 Ca 0.01 0.03 0.00 0.00 0.11 0.00 0.00 66.00 66.15 1inr h PRO 20 Cb 0.91 0.09 0.00 0.00 0.11 0.00 0.00 31.00 32.11 1inr h PRO 20 CO 0.07 -0.26 0.00 0.09 -0.21 0.00 0.00 178.00 177.69 1inr n ASN 21 N -5.34 0.52 -0.01 -2.05 4.13 -1.24 -1.09 115.26 110.19 1inr n ASN 21 Ca -0.07 0.59 -0.11 0.00 1.68 0.00 0.00 54.58 56.67 1inr n ASN 21 Cb 0.25 -0.71 0.03 0.00 -1.54 0.00 0.00 39.78 37.81 1inr n ASN 21 CO 0.00 0.00 0.00 0.24 0.28 0.00 0.00 177.26 177.78 1inr h MET 22 N 0.00 0.61 -0.00 3.52 0.00 -1.33 -3.32 114.93 114.40 1inr h MET 22 Ca 0.00 -0.39 0.00 0.00 0.00 0.00 0.00 59.70 59.31 1inr h MET 22 Cb 0.49 0.05 0.00 0.00 0.00 0.00 0.00 31.60 32.14 1inr h MET 22 CO 0.00 1.01 -0.73 1.28 0.00 0.00 0.00 176.91 178.47 1inr n LEU 23 N -3.96 1.07 -0.37 1.22 4.77 -0.94 -4.56 117.00 114.23 1inr n LEU 23 Ca -0.04 -0.41 0.02 0.00 -0.03 0.00 0.00 56.01 55.55 1inr n LEU 23 Cb 0.62 -0.07 0.16 0.00 -2.33 0.00 0.00 43.42 41.80 1inr n LEU 23 CO 0.48 0.24 1.27 -0.09 -1.33 0.00 0.00 177.39 177.96 1inr h ARG 24 N 0.53 1.19 -0.43 3.23 9.65 -1.21 -0.47 114.38 126.87 1inr h ARG 24 Ca 0.00 -0.07 -0.08 0.00 -1.10 0.00 0.00 59.98 58.73 1inr h ARG 24 Cb 0.55 -0.27 -0.02 0.00 -1.39 0.00 0.00 29.97 28.84 1inr h ARG 24 CO 0.00 0.79 -0.06 -0.44 2.80 0.00 0.00 179.97 183.06 1inr h ASP 25 N 1.22 0.70 -0.21 -3.80 5.19 -1.82 0.48 116.42 118.19 1inr h ASP 25 Ca 0.42 -0.18 -0.03 0.00 -0.62 0.00 0.00 57.03 56.62 1inr h ASP 25 Cb 0.09 -0.19 -0.01 0.00 0.18 0.00 0.00 39.33 39.41 1inr h ASP 25 CO -0.15 0.81 0.01 0.25 -3.12 0.00 0.00 179.24 177.04 1inr h LEU 26 N 0.67 0.35 -0.83 1.55 5.85 -1.83 -1.21 115.31 119.86 1inr h LEU 26 Ca 0.13 -0.29 -0.00 0.00 0.84 0.00 0.00 57.88 58.55 1inr h LEU 26 Cb 0.50 -0.09 -0.04 0.00 0.37 0.00 0.00 40.66 41.39 1inr h LEU 26 CO 0.03 0.55 0.52 0.03 -0.34 0.00 0.00 178.44 179.23 1inr h ARG 27 N 0.14 1.12 -0.31 1.25 3.08 -0.62 -1.76 114.38 117.29 1inr h ARG 27 Ca 0.06 -0.09 -0.13 0.00 0.07 0.00 0.00 59.98 59.89 1inr h ARG 27 Cb 0.37 -0.24 -0.01 0.00 0.08 0.00 0.00 29.97 30.16 1inr h ARG 27 CO 0.01 0.78 -0.33 -0.44 -1.07 0.00 0.00 179.97 178.92 1inr h ASP 28 N 1.14 0.69 -0.62 7.04 3.32 -0.84 -1.94 116.42 125.21 1inr h ASP 28 Ca 0.30 -0.28 -0.07 0.00 0.02 0.00 0.00 57.03 56.99 1inr h ASP 28 Cb -0.07 -0.19 -0.02 0.00 0.22 0.00 0.00 39.33 39.26 1inr h ASP 28 CO -0.06 0.97 0.10 0.00 -1.72 0.00 0.00 179.24 178.53 1inr h ALA 29 N 1.07 0.83 -0.54 3.45 0.00 -1.17 -2.91 119.26 119.99 1inr h ALA 29 Ca 0.06 -0.26 -0.08 0.00 0.00 0.00 0.00 54.91 54.63 1inr h ALA 29 Cb 0.84 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 18.37 1inr h ALA 29 CO 0.07 0.59 0.02 0.35 0.00 0.00 0.00 179.25 180.28 1inr h PHE 30 N 0.94 0.97 0.00 0.00 3.57 -1.18 -2.19 116.94 119.05 1inr h PHE 30 Ca 0.19 -0.14 0.00 0.00 3.53 0.00 0.00 57.97 61.55 1inr h PHE 30 Cb 0.43 -0.26 0.00 0.00 2.79 0.00 0.00 35.95 38.91 1inr h PHE 30 CO 0.03 0.86 0.00 -1.13 -2.23 0.00 0.00 178.31 175.84 1inr n SER 31 N -4.21 0.36 0.05 0.41 3.41 -0.74 -0.73 113.62 112.17 1inr n SER 31 Ca 0.03 0.63 -0.22 0.00 -0.26 0.00 0.00 58.87 59.05 1inr n SER 31 Cb 0.31 -0.69 -0.14 0.00 -0.26 0.00 0.00 64.21 63.42 1inr n SER 31 CO 0.00 0.00 0.00 0.03 -0.16 0.00 0.00 175.04 174.91 1inr h ARG 32 N 0.00 0.33 -0.35 4.33 -0.00 -1.43 -3.37 114.38 113.89 1inr h ARG 32 Ca 0.00 -0.57 -0.12 0.00 -0.50 0.00 0.00 59.98 58.79 1inr h ARG 32 Cb 0.15 0.21 -0.01 0.00 0.00 0.00 0.00 29.97 30.32 1inr h ARG 32 CO 0.00 1.27 -0.26 0.28 0.00 0.00 0.00 179.97 181.26 1inr h VAL 33 N -0.06 1.29 -0.04 2.04 2.07 -0.52 -3.24 116.25 117.79 1inr h VAL 33 Ca -0.33 -1.42 0.01 0.00 0.82 0.00 0.00 66.70 65.78 1inr h VAL 33 Cb 1.96 1.42 -0.00 0.00 -1.52 0.00 0.00 31.29 33.15 1inr h VAL 33 CO 0.13 0.47 0.03 0.07 0.02 0.00 0.00 177.57 178.29 1inr h LYS 34 N 0.59 0.00 0.00 1.57 2.10 -1.10 -1.40 116.57 118.32 1inr h LYS 34 Ca 0.07 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.72 1inr h LYS 34 Cb 0.83 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.16 1inr h LYS 34 CO 0.07 0.00 0.00 0.25 -2.00 0.00 0.00 179.45 177.77 1inr n THR 35 N -4.03 0.93 1.10 0.07 -2.24 -1.22 -1.66 114.28 107.23 1inr n THR 35 Ca -0.02 0.23 0.12 0.00 -2.27 0.00 0.00 64.05 62.11 1inr n THR 35 Cb 0.13 -1.00 0.17 0.00 -2.10 0.00 0.00 70.33 67.53 1inr n THR 35 CO 0.00 0.00 0.00 0.49 -0.57 0.00 0.00 175.07 174.99 1inr n PHE 36 N -1.44 0.00 -3.19 4.78 3.01 -0.53 -5.17 117.46 114.93 1inr n PHE 36 Ca 0.04 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.50 1inr n PHE 36 Cb 0.15 -0.01 0.00 0.00 -0.01 0.00 0.00 39.48 39.61 1inr n PHE 36 CO 0.00 0.00 0.00 1.19 1.01 0.00 0.00 176.76 178.96 1inr n PHE 37 N 0.79 0.00 -0.10 1.38 3.72 -0.66 -5.14 117.46 117.45 1inr n PHE 37 Ca 0.14 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.54 1inr n PHE 37 Cb 0.52 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.06 1inr n PHE 37 CO 0.00 0.00 0.00 -1.71 -0.05 0.00 0.00 176.76 175.00 1inr n ASN 45 N -0.25 0.00 -4.80 4.37 5.15 -1.26 -4.90 115.26 113.58 1inr n ASN 45 Ca 0.00 0.05 -0.34 0.00 -0.60 0.00 0.00 54.58 53.69 1inr n ASN 45 Cb 0.00 -0.08 -0.03 0.00 -0.53 0.00 0.00 39.78 39.14 1inr n ASN 45 CO 0.00 0.00 0.00 -0.22 1.40 0.00 0.00 177.26 178.44 1inr s LEU 46 N 0.00 3.81 -0.02 1.20 2.96 -1.26 -4.93 118.68 120.44 1inr s LEU 46 Ca 0.00 1.93 -0.16 0.00 -0.22 0.00 0.00 54.13 55.69 1inr s LEU 46 Cb 0.00 -4.56 -0.33 0.00 0.50 0.00 0.00 46.19 41.80 1inr s LEU 46 CO 0.00 -0.84 0.83 0.25 -1.32 0.00 0.00 176.35 175.28 1inr h LEU 47 N 1.45 0.67 -7.26 -0.68 5.85 -2.10 -3.40 115.31 109.83 1inr h LEU 47 Ca -0.49 -0.92 -0.77 0.00 0.84 0.00 0.00 57.88 56.53 1inr h LEU 47 Cb 1.22 -0.22 -0.22 0.00 0.37 0.00 0.00 40.66 41.81 1inr h LEU 47 CO 0.59 1.67 1.14 0.18 -0.34 0.00 0.00 178.44 181.68 1inr n LEU 48 N -3.78 5.84 -4.52 2.25 4.77 -1.26 -4.96 117.00 115.34 1inr n LEU 48 Ca -0.20 -4.81 -0.30 0.00 -0.03 0.00 0.00 56.01 50.68 1inr n LEU 48 Cb 1.03 -1.48 0.21 0.00 -2.33 0.00 0.00 43.42 40.84 1inr n LEU 48 CO 0.54 1.22 0.43 0.29 -1.33 0.00 0.00 177.39 178.54 1inr n LYS 49 N 3.61 -1.54 0.26 3.23 4.76 -1.26 -4.88 118.16 122.33 1inr n LYS 49 Ca 0.32 -0.41 0.17 0.00 -2.87 0.00 0.00 58.31 55.52 1inr n LYS 49 Cb 0.38 -2.18 0.73 0.00 -1.84 0.00 0.00 35.03 32.13 1inr n LYS 49 CO 0.00 0.00 0.00 1.49 -1.37 0.00 0.00 177.40 177.52 1inr h GLU 50 N -2.29 0.00 -0.17 1.97 4.81 -1.97 -1.21 114.58 115.72 1inr h GLU 50 Ca -0.53 0.00 -0.08 0.00 -0.13 0.00 0.00 59.36 58.62 1inr h GLU 50 Cb 1.31 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 30.68 1inr h GLU 50 CO 0.44 0.00 -0.24 0.66 -0.73 0.00 0.00 179.01 179.15 1inr h SER 51 N 0.00 0.29 -0.45 1.04 4.64 -1.99 -1.43 113.55 115.66 1inr h SER 51 Ca 0.00 -0.09 -0.07 0.00 -0.47 0.00 0.00 61.79 61.17 1inr h SER 51 Cb 0.38 -0.08 -0.02 0.00 -0.31 0.00 0.00 62.40 62.38 1inr h SER 51 CO 0.00 0.54 0.02 0.25 -0.87 0.00 0.00 176.83 176.76 1inr h LEU 52 N 0.27 0.76 -0.95 5.97 5.85 -1.55 -2.41 115.31 123.24 1inr h LEU 52 Ca 0.04 -0.30 -0.04 0.00 0.84 0.00 0.00 57.88 58.43 1inr h LEU 52 Cb 0.57 -0.20 -0.03 0.00 0.37 0.00 0.00 40.66 41.36 1inr h LEU 52 CO 0.04 0.87 0.28 0.25 -0.34 0.00 0.00 178.44 179.54 1inr h LEU 53 N 0.63 0.95 -1.17 2.25 5.85 -1.43 -2.49 115.31 119.90 1inr h LEU 53 Ca 0.13 -0.14 -0.05 0.00 0.84 0.00 0.00 57.88 58.66 1inr h LEU 53 Cb 0.47 -0.25 -0.02 0.00 0.37 0.00 0.00 40.66 41.23 1inr h LEU 53 CO 0.02 0.85 0.01 -0.33 -0.34 0.00 0.00 178.44 178.65 1inr h GLU 54 N 1.02 0.57 0.00 1.25 5.08 -0.90 -2.35 114.58 119.24 1inr h GLU 54 Ca 0.24 -0.13 -0.08 0.00 -1.00 0.00 0.00 59.36 58.39 1inr h GLU 54 Cb 0.20 -0.08 -0.01 0.00 0.50 0.00 0.00 28.75 29.35 1inr h GLU 54 CO -0.02 0.60 -0.38 -0.44 -1.00 0.00 0.00 179.01 177.76 1inr h ASP 55 N 0.55 0.00 0.39 1.42 5.19 -1.08 -2.68 116.42 120.22 1inr h ASP 55 Ca 0.12 0.00 -0.08 0.00 -0.62 0.00 0.00 57.03 56.45 1inr h ASP 55 Cb 0.34 0.00 -0.01 0.00 0.18 0.00 0.00 39.33 39.84 1inr h ASP 55 CO 0.01 0.38 -0.39 -0.26 -3.12 0.00 0.00 179.24 175.87 1inr h PHE 56 N 0.00 0.00 -0.39 4.55 -1.00 -1.00 -2.23 116.94 116.87 1inr h PHE 56 Ca -0.00 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.78 1inr h PHE 56 Cb 1.01 0.00 0.00 0.00 3.61 0.00 0.00 35.95 40.57 1inr h PHE 56 CO 0.00 0.39 0.00 0.36 -1.61 0.00 0.00 178.31 177.45 1inr n LYS 57 N -4.07 3.17 0.00 1.51 2.85 -1.06 -4.33 118.16 116.22 1inr n LYS 57 Ca -0.02 -2.60 0.00 0.00 -1.05 0.00 0.00 58.31 54.64 1inr n LYS 57 Cb 0.42 -1.68 0.00 0.00 -0.65 0.00 0.00 35.03 33.12 1inr n LYS 57 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 1inr n GLY 58 N 0.23 3.86 0.20 2.58 0.00 -1.03 -4.91 105.19 106.12 1inr n GLY 58 Ca 0.19 -1.89 -0.03 0.00 0.00 0.00 0.00 46.02 44.29 1inr n GLY 58 CO 0.00 0.00 0.00 0.10 0.00 0.00 0.00 173.32 173.42 1inr h TYR 59 N 0.00 0.33 -0.31 1.61 -0.00 -1.91 -1.04 116.97 115.66 1inr h TYR 59 Ca 0.00 0.02 0.00 0.00 -0.00 0.00 0.00 58.73 58.75 1inr h TYR 59 Cb 0.00 -0.07 0.00 0.00 -0.00 0.00 0.00 36.73 36.66 1inr h TYR 59 CO 0.00 0.11 0.00 1.28 -0.00 0.00 0.00 178.16 179.55 1inr n LEU 60 N -4.99 3.42 -0.07 0.10 4.77 -1.26 -4.61 117.00 114.37 1inr n LEU 60 Ca 0.05 -1.73 -0.07 0.00 -0.03 0.00 0.00 56.01 54.23 1inr n LEU 60 Cb 0.20 -0.58 -0.01 0.00 -2.33 0.00 0.00 43.42 40.71 1inr n LEU 60 CO 0.25 0.46 0.73 1.23 -1.33 0.00 0.00 177.39 178.73 1inr h GLY 61 N 4.53 0.01 0.97 -0.72 0.00 -0.56 -2.55 103.07 104.75 1inr h GLY 61 Ca 0.00 0.23 -0.02 0.00 0.00 0.00 0.00 47.33 47.54 1inr h GLY 61 CO 0.24 -0.18 0.22 0.00 0.00 0.00 0.00 176.54 176.83 1inr h GLN 63 N 0.61 0.89 0.42 0.00 7.50 -1.86 -0.96 115.11 121.72 1inr h GLN 63 Ca 0.16 -0.05 -0.02 0.00 0.50 0.00 0.00 58.65 59.24 1inr h GLN 63 Cb 0.12 -0.20 0.00 0.00 0.05 0.00 0.00 27.48 27.46 1inr h GLN 63 CO -0.02 0.59 -0.20 0.00 -1.50 0.00 0.00 178.83 177.70 1inr h ALA 64 N 1.33 -0.56 -0.41 3.87 0.00 -1.18 -0.75 119.26 121.55 1inr h ALA 64 Ca 0.31 -0.19 0.06 0.00 0.00 0.00 0.00 54.91 55.09 1inr h ALA 64 Cb 0.03 0.22 -0.05 0.00 0.00 0.00 0.00 17.79 17.99 1inr h ALA 64 CO -0.12 -0.65 0.11 1.25 0.00 0.00 0.00 179.25 179.84 1inr h LEU 65 N -0.88 0.08 0.16 0.00 5.85 -1.32 0.05 115.31 119.25 1inr h LEU 65 Ca -0.06 0.06 -0.01 0.00 0.84 0.00 0.00 57.88 58.71 1inr h LEU 65 Cb 0.56 0.07 0.00 0.00 0.37 0.00 0.00 40.66 41.65 1inr h LEU 65 CO 0.09 0.08 -0.08 -1.28 -0.34 0.00 0.00 178.44 176.91 1inr h SER 66 N 0.26 -0.19 -0.01 1.25 0.87 -1.14 0.97 113.55 115.56 1inr h SER 66 Ca 0.20 -0.00 -0.05 0.00 -1.23 0.00 0.00 61.79 60.70 1inr h SER 66 Cb 0.22 0.05 -0.01 0.00 -0.44 0.00 0.00 62.40 62.21 1inr h SER 66 CO -0.23 -0.12 -0.12 -0.08 -0.53 0.00 0.00 176.83 175.74 1inr h GLU 67 N -0.23 0.28 -0.42 2.24 4.81 -0.97 -2.37 114.58 117.92 1inr h GLU 67 Ca -0.02 -0.06 -0.10 0.00 -0.13 0.00 0.00 59.36 59.04 1inr h GLU 67 Cb 0.18 -0.04 -0.02 0.00 0.63 0.00 0.00 28.75 29.51 1inr h GLU 67 CO 0.04 0.41 -0.16 0.52 -0.73 0.00 0.00 179.01 179.09 1inr h MET 68 N 0.26 0.79 -0.46 1.92 2.86 -0.26 0.14 114.93 120.19 1inr h MET 68 Ca 0.05 -0.29 -0.08 0.00 -2.06 0.00 0.00 59.70 57.33 1inr h MET 68 Cb 0.38 -0.05 -0.02 0.00 0.06 0.00 0.00 31.60 31.97 1inr h MET 68 CO 0.02 0.90 -0.01 0.82 1.06 0.00 0.00 176.91 179.70 1inr h ILE 69 N 0.71 1.26 -0.48 -1.22 2.04 -0.63 -2.01 117.51 117.18 1inr h ILE 69 Ca 0.11 -1.07 -0.11 0.00 1.00 0.00 0.00 64.86 64.79 1inr h ILE 69 Cb 0.65 1.04 -0.02 0.00 -0.74 0.00 0.00 36.82 37.76 1inr h ILE 69 CO 0.05 0.37 -0.14 -0.61 0.00 0.00 0.00 178.15 177.82 1inr h GLN 70 N 0.66 0.90 -0.44 2.37 4.15 -1.15 -1.67 115.11 119.94 1inr h GLN 70 Ca 0.13 -0.33 -0.04 0.00 0.77 0.00 0.00 58.65 59.18 1inr h GLN 70 Cb 0.52 -0.06 -0.02 0.00 0.21 0.00 0.00 27.48 28.13 1inr h GLN 70 CO 0.03 0.98 0.13 0.35 -1.93 0.00 0.00 178.83 178.38 1inr h PHE 71 N 0.80 0.71 -0.25 3.99 3.57 -0.41 0.66 116.94 126.02 1inr h PHE 71 Ca 0.12 -0.08 -0.02 0.00 3.53 0.00 0.00 57.97 61.53 1inr h PHE 71 Cb 0.67 -0.20 -0.01 0.00 2.79 0.00 0.00 35.95 39.19 1inr h PHE 71 CO 0.04 0.65 0.09 1.88 -2.23 0.00 0.00 178.31 178.74 1inr h TYR 72 N 0.57 0.39 0.00 0.41 0.05 -1.31 0.08 116.97 117.16 1inr h TYR 72 Ca 0.14 -0.03 -0.09 0.00 0.05 0.00 0.00 58.73 58.79 1inr h TYR 72 Cb 0.28 -0.12 -0.01 0.00 1.01 0.00 0.00 36.73 37.89 1inr h TYR 72 CO 0.01 0.42 -0.44 -0.07 -1.05 0.00 0.00 178.16 177.03 1inr h LEU 73 N 0.25 0.00 0.00 3.88 3.38 -1.17 -0.57 115.31 121.08 1inr h LEU 73 Ca 0.08 0.00 -0.41 0.00 0.09 0.00 0.00 57.88 57.64 1inr h LEU 73 Cb 0.20 0.00 -0.07 0.00 0.09 0.00 0.00 40.66 40.89 1inr h LEU 73 CO -0.00 0.44 -2.46 1.21 0.09 0.00 0.00 178.44 177.72 1inr n GLU 74 N -3.88 0.61 -0.04 1.13 2.13 0.21 -4.54 120.64 116.25 1inr n GLU 74 Ca -0.01 0.19 -0.05 0.00 0.66 0.00 0.00 57.16 57.94 1inr n GLU 74 Cb 0.49 -1.49 -0.02 0.00 0.27 0.00 0.00 31.44 30.69 1inr n GLU 74 CO 0.00 0.00 0.00 0.39 -0.41 0.00 0.00 177.13 177.11 1inr n GLU 75 N -3.61 0.28 0.37 5.31 1.02 -0.14 -4.68 120.64 119.19 1inr n GLU 75 Ca -0.48 0.11 -0.15 0.00 -0.02 0.00 0.00 57.16 56.63 1inr n GLU 75 Cb 0.94 -0.96 -0.07 0.00 -0.02 0.00 0.00 31.44 31.32 1inr n GLU 75 CO 0.00 0.00 0.00 0.28 1.18 0.00 0.00 177.13 178.59 1inr h VAL 76 N -0.53 0.00 -0.87 2.62 2.07 -1.11 -3.02 116.25 115.41 1inr h VAL 76 Ca 0.00 -0.07 0.06 0.00 0.82 0.00 0.00 66.70 67.51 1inr h VAL 76 Cb 0.53 0.00 -0.06 0.00 -1.52 0.00 0.00 31.29 30.24 1inr h VAL 76 CO 0.00 0.00 0.54 0.24 0.02 0.00 0.00 177.57 178.37 1inr h MET 77 N -1.03 0.94 -0.74 1.57 2.86 -1.36 -1.20 114.93 115.97 1inr h MET 77 Ca -0.10 -0.06 -0.01 0.00 -2.06 0.00 0.00 59.70 57.47 1inr h MET 77 Cb 0.73 -0.21 -0.04 0.00 0.06 0.00 0.00 31.60 32.14 1inr h MET 77 CO 0.16 0.62 0.42 -1.35 1.06 0.00 0.00 176.91 177.82 1inr h PRO 78 N 0.97 1.03 -0.53 -0.22 0.11 -1.80 0.11 132.00 131.67 1inr h PRO 78 Ca 0.38 -0.11 -0.10 0.00 0.11 0.00 0.00 66.00 66.28 1inr h PRO 78 Cb 0.19 -0.21 -0.02 0.00 0.11 0.00 0.00 31.00 31.07 1inr h PRO 78 CO -0.18 0.74 -0.08 1.96 -0.21 0.00 0.00 178.00 180.24 1inr h GLN 79 N 1.04 0.96 -0.51 1.05 4.20 -1.15 -2.79 115.11 117.91 1inr h GLN 79 Ca 0.26 -0.33 -0.12 0.00 0.06 0.00 0.00 58.65 58.52 1inr h GLN 79 Cb 0.01 -0.08 -0.02 0.00 0.30 0.00 0.00 27.48 27.70 1inr h GLN 79 CO -0.04 1.00 -0.16 0.00 -0.67 0.00 0.00 178.83 178.95 1inr h ALA 80 N 1.03 0.74 0.00 3.87 0.00 -0.55 -1.97 119.26 122.38 1inr h ALA 80 Ca 0.14 -0.37 -0.05 0.00 0.00 0.00 0.00 54.91 54.63 1inr h ALA 80 Cb 0.62 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.22 1inr h ALA 80 CO 0.04 0.67 -0.24 1.49 0.00 0.00 0.00 179.25 181.22 1inr h GLU 81 N 0.89 0.00 0.00 0.00 4.22 -0.78 -2.75 114.58 116.16 1inr h GLU 81 Ca 0.13 0.00 -0.21 0.00 0.08 0.00 0.00 59.36 59.35 1inr h GLU 81 Cb 0.74 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.95 1inr h GLU 81 CO 0.06 0.24 -1.24 -0.97 -2.18 0.00 0.00 179.01 174.91 1inr h ASN 82 N 0.00 0.00 -0.40 1.04 -0.73 -1.22 -2.40 115.58 111.88 1inr h ASN 82 Ca -0.00 0.00 -0.15 0.00 1.87 0.00 0.00 56.30 58.02 1inr h ASN 82 Cb 0.62 0.00 -0.01 0.00 0.27 0.00 0.00 38.32 39.20 1inr h ASN 82 CO 0.03 0.84 -0.34 1.56 -0.37 0.00 0.00 177.43 179.14 1inr h GLN 83 N 0.00 0.94 -2.29 6.67 1.08 -1.07 -3.39 115.11 117.05 1inr h GLN 83 Ca -0.13 -0.47 -0.43 0.00 -1.45 0.00 0.00 58.65 56.17 1inr h GLN 83 Cb 1.75 0.00 -0.35 0.00 -0.05 0.00 0.00 27.48 28.84 1inr h GLN 83 CO 0.09 1.13 -0.72 0.34 -0.95 0.00 0.00 178.83 178.72 1inr s ASP 84 N -6.81 2.10 0.14 1.46 2.15 -1.12 -5.00 116.67 109.59 1inr s ASP 84 Ca -0.11 -1.40 0.09 0.00 0.43 0.00 0.00 52.55 51.56 1inr s ASP 84 Cb 0.12 0.19 0.50 0.00 -0.30 0.00 0.00 42.92 43.43 1inr s ASP 84 CO 0.88 -0.34 1.28 -0.81 -0.17 0.00 0.00 175.17 176.00 1inr n PRO 85 N 4.71 0.06 0.22 4.34 -0.04 -0.90 -1.07 135.00 142.31 1inr n PRO 85 Ca 0.04 0.55 0.15 0.00 -0.04 0.00 0.00 63.50 64.21 1inr n PRO 85 Cb 0.43 -1.71 0.54 0.00 -0.04 0.00 0.00 33.50 32.72 1inr n PRO 85 CO 0.00 0.00 0.00 -0.44 -0.04 0.00 0.00 175.50 175.02 1inr h ASP 86 N 0.00 0.00 1.11 3.54 3.32 -1.95 -2.06 116.42 120.37 1inr h ASP 86 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1inr h ASP 86 Cb 0.03 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.58 1inr h ASP 86 CO 0.00 0.00 -0.08 0.00 -1.72 0.00 0.00 179.24 177.44 1inr n ILE 87 N -2.85 0.22 -0.28 0.35 3.06 -0.24 -4.56 119.36 115.06 1inr n ILE 87 Ca 0.02 -0.11 0.02 0.00 -2.50 0.00 0.00 62.75 60.18 1inr n ILE 87 Cb 0.34 -0.44 0.09 0.00 0.54 0.00 0.00 39.64 40.17 1inr n ILE 87 CO 0.00 0.00 0.00 0.11 -2.50 0.00 0.00 176.55 174.16 1inr h LYS 88 N 0.00 -0.01 -0.81 9.51 1.57 -1.53 -1.91 116.57 123.38 1inr h LYS 88 Ca 0.00 0.00 0.10 0.00 -1.87 0.00 0.00 60.65 58.88 1inr h LYS 88 Cb 0.60 0.00 -0.07 0.00 0.08 0.00 0.00 32.23 32.83 1inr h LYS 88 CO 0.00 -0.01 0.46 0.00 -0.57 0.00 0.00 179.45 179.33 1inr h ALA 89 N 1.75 1.16 0.06 3.86 0.00 -1.83 -0.06 119.26 124.19 1inr h ALA 89 Ca 0.38 0.03 -0.30 0.00 0.00 0.00 0.00 54.91 55.02 1inr h ALA 89 Cb 0.59 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 18.23 1inr h ALA 89 CO -0.83 0.08 -1.62 0.45 0.00 0.00 0.00 179.25 177.33 1inr h HIS 90 N 0.77 0.22 -0.22 0.00 3.86 -1.68 -1.89 115.15 116.21 1inr h HIS 90 Ca 0.39 -0.16 -0.14 0.00 -1.16 0.00 0.00 60.37 59.30 1inr h HIS 90 Cb 0.37 -0.01 -0.01 0.00 1.06 0.00 0.00 27.41 28.82 1inr h HIS 90 CO -0.07 1.25 -0.44 0.28 0.86 0.00 0.00 177.93 179.82 1inr h VAL 91 N 0.03 1.31 -0.24 2.45 2.07 -1.36 0.29 116.25 120.80 1inr h VAL 91 Ca -0.26 -1.62 -0.18 0.00 0.82 0.00 0.00 66.70 65.45 1inr h VAL 91 Cb 1.99 1.61 -0.00 0.00 -1.52 0.00 0.00 31.29 33.37 1inr h VAL 91 CO 0.11 0.51 -0.58 -1.13 0.02 0.00 0.00 177.57 176.50 1inr h ASN 92 N 0.44 0.87 -0.34 0.57 -1.24 -1.01 -1.11 115.58 113.75 1inr h ASN 92 Ca 0.03 -0.48 -0.08 0.00 0.71 0.00 0.00 56.30 56.48 1inr h ASN 92 Cb 0.94 -0.25 -0.02 0.00 0.73 0.00 0.00 38.32 39.72 1inr h ASN 92 CO 0.08 1.26 -0.05 0.28 -1.29 0.00 0.00 177.43 177.71 1inr h SER 93 N 0.58 0.72 -0.52 1.15 0.02 -1.18 -1.79 113.55 112.54 1inr h SER 93 Ca 0.00 -0.19 -0.06 0.00 -0.84 0.00 0.00 61.79 60.71 1inr h SER 93 Cb 1.18 -0.19 -0.02 0.00 0.14 0.00 0.00 62.40 63.50 1inr h SER 93 CO 0.12 0.82 0.11 0.25 -1.14 0.00 0.00 176.83 176.99 1inr h LEU 94 N 0.69 0.81 -0.32 5.07 5.85 -0.60 -2.56 115.31 124.24 1inr h LEU 94 Ca 0.13 -0.25 0.00 0.00 0.84 0.00 0.00 57.88 58.61 1inr h LEU 94 Cb 0.49 -0.21 -0.02 0.00 0.37 0.00 0.00 40.66 41.29 1inr h LEU 94 CO 0.03 0.85 0.21 1.23 -0.34 0.00 0.00 178.44 180.42 1inr h GLY 95 N 0.74 0.45 0.78 3.75 0.00 -1.19 -2.19 103.07 105.41 1inr h GLY 95 Ca 0.16 -0.17 0.03 0.00 0.00 0.00 0.00 47.33 47.35 1inr h GLY 95 CO 0.01 0.17 0.18 0.83 0.00 0.00 0.00 176.54 177.72 1inr h GLU 96 N 0.44 0.35 -0.07 4.80 4.39 -1.29 -0.17 114.58 123.03 1inr h GLU 96 Ca 0.12 -0.02 -0.03 0.00 0.34 0.00 0.00 59.36 59.77 1inr h GLU 96 Cb -0.05 -0.08 -0.01 0.00 -0.10 0.00 0.00 28.75 28.51 1inr h GLU 96 CO -0.03 0.23 -0.09 -0.91 -1.16 0.00 0.00 179.01 177.05 1inr h ASN 97 N 0.36 0.09 0.35 1.42 2.35 -1.41 -1.37 115.58 117.38 1inr h ASN 97 Ca 0.16 -0.01 -0.27 0.00 -0.55 0.00 0.00 56.30 55.63 1inr h ASN 97 Cb 0.09 -0.02 0.01 0.00 0.05 0.00 0.00 38.32 38.45 1inr h ASN 97 CO -0.13 0.21 -1.17 0.25 -1.65 0.00 0.00 177.43 174.94 1inr h LEU 98 N 0.10 0.64 -0.45 1.61 6.46 -0.93 -1.62 115.31 121.11 1inr h LEU 98 Ca 0.02 -0.59 -0.06 0.00 -0.12 0.00 0.00 57.88 57.13 1inr h LEU 98 Cb 0.24 -0.20 -0.02 0.00 -0.73 0.00 0.00 40.66 39.95 1inr h LEU 98 CO 0.01 1.42 0.03 0.11 -0.62 0.00 0.00 178.44 179.40 1inr h LYS 99 N 0.19 0.77 -0.61 1.25 1.57 -0.70 -1.07 116.57 117.97 1inr h LYS 99 Ca -0.14 -0.23 0.06 0.00 -1.87 0.00 0.00 60.65 58.47 1inr h LYS 99 Cb 1.85 -0.08 -0.06 0.00 0.08 0.00 0.00 32.23 34.02 1inr h LYS 99 CO 0.21 0.81 0.31 1.15 -0.57 0.00 0.00 179.45 181.37 1inr h THR 100 N 0.62 0.92 -0.30 -0.16 2.02 -1.29 0.40 112.91 115.12 1inr h THR 100 Ca 0.13 -0.20 -0.00 0.00 0.77 0.00 0.00 66.41 67.11 1inr h THR 100 Cb 0.44 0.29 -0.01 0.00 -1.74 0.00 0.00 68.15 67.13 1inr h THR 100 CO 0.02 0.11 0.19 0.25 0.37 0.00 0.00 175.52 176.45 1inr h LEU 101 N 0.58 0.36 -0.88 2.58 5.85 -1.12 -0.54 115.31 122.15 1inr h LEU 101 Ca 0.28 -0.04 0.03 0.00 0.84 0.00 0.00 57.88 58.99 1inr h LEU 101 Cb 0.22 -0.09 -0.05 0.00 0.37 0.00 0.00 40.66 41.11 1inr h LEU 101 CO -0.20 0.29 0.57 -0.09 -0.34 0.00 0.00 178.44 178.67 1inr h ARG 102 N 0.40 1.09 -0.32 1.25 2.43 -0.00 -1.78 114.38 117.44 1inr h ARG 102 Ca 0.11 -0.07 -0.02 0.00 -0.81 0.00 0.00 59.98 59.19 1inr h ARG 102 Cb -0.01 -0.25 -0.01 0.00 -0.42 0.00 0.00 29.97 29.28 1inr h ARG 102 CO -0.02 0.72 0.11 -0.07 -1.51 0.00 0.00 179.97 179.20 1inr h LEU 103 N 1.12 0.45 -1.09 3.80 -0.00 0.54 -3.08 115.31 117.05 1inr h LEU 103 Ca 0.34 -0.19 0.03 0.00 -0.00 0.00 0.00 57.88 58.07 1inr h LEU 103 Cb -0.03 -0.12 -0.05 0.00 -0.00 0.00 0.00 40.66 40.46 1inr h LEU 103 CO -0.11 0.52 0.62 0.03 -0.00 0.00 0.00 178.44 179.50 1inr h ARG 104 N 0.36 1.15 0.00 1.13 3.08 -0.30 -2.08 114.38 117.72 1inr h ARG 104 Ca 0.10 -0.07 -0.01 0.00 0.07 0.00 0.00 59.98 60.08 1inr h ARG 104 Cb 0.22 -0.26 -0.00 0.00 0.08 0.00 0.00 29.97 30.00 1inr h ARG 104 CO -0.01 0.76 -0.03 -0.07 -1.07 0.00 0.00 179.97 179.56 1inr h LEU 105 N 1.19 0.00 -6.77 3.04 4.07 -1.29 -3.28 115.31 112.27 1inr h LEU 105 Ca 0.37 0.00 -0.70 0.00 0.08 0.00 0.00 57.88 57.62 1inr h LEU 105 Cb -0.01 0.00 -0.07 0.00 1.08 0.00 0.00 40.66 41.67 1inr h LEU 105 CO -0.11 0.03 2.65 0.54 -1.08 0.00 0.00 178.44 180.47 1inr n ARG 106 N -3.22 3.05 0.00 1.13 1.74 -0.78 -1.56 116.66 117.02 1inr n ARG 106 Ca -0.01 -2.97 0.00 0.00 -0.77 0.00 0.00 57.85 54.10 1inr n ARG 106 Cb 0.19 -3.33 0.00 0.00 -1.02 0.00 0.00 32.46 28.31 1inr n ARG 106 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 1inr n ARG 107 N 6.74 0.00 0.00 5.56 5.12 -1.24 -5.03 116.66 127.81 1inr n ARG 107 Ca 0.49 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 56.41 1inr n ARG 107 Cb 0.41 0.00 0.00 0.00 -1.16 0.00 0.00 32.46 31.71 1inr n ARG 107 CO 0.00 0.00 0.00 1.19 -1.93 0.00 0.00 177.63 176.89 1inr n PHE 111 N -0.05 0.00 -3.40 -1.55 3.72 -1.04 -5.08 117.46 110.07 1inr n PHE 111 Ca 0.00 0.00 -0.26 0.00 -0.05 0.00 0.00 57.45 57.14 1inr n PHE 111 Cb 0.00 0.00 -0.08 0.00 -0.94 0.00 0.00 39.48 38.46 1inr n PHE 111 CO 0.00 0.00 0.00 1.28 -0.05 0.00 0.00 176.76 177.99 1inr n LEU 112 N 0.00 1.97 -0.29 4.37 4.77 -0.60 -4.97 117.00 122.25 1inr n LEU 112 Ca 0.00 -5.04 0.01 0.00 -0.03 0.00 0.00 56.01 50.95 1inr n LEU 112 Cb 0.00 -0.09 0.14 0.00 -2.33 0.00 0.00 43.42 41.14 1inr n LEU 112 CO 0.00 2.01 1.16 1.55 -1.33 0.00 0.00 177.39 180.77 1inr h PRO 113 N 4.41 0.83 0.00 3.23 0.13 -1.96 -2.44 132.00 136.20 1inr h PRO 113 Ca 0.16 -0.05 0.00 0.00 -0.87 0.00 0.00 66.00 65.24 1inr h PRO 113 Cb 0.77 -0.19 0.00 0.00 0.13 0.00 0.00 31.00 31.72 1inr h PRO 113 CO 0.64 0.55 0.00 0.00 -0.23 0.00 0.00 178.00 178.96 1inr n GLU 115 N -1.12 1.44 -3.58 0.00 1.02 -0.92 -4.97 120.64 112.52 1inr n GLU 115 Ca 0.08 -1.07 -0.33 0.00 -0.02 0.00 0.00 57.16 55.82 1inr n GLU 115 Cb 0.07 -1.42 -0.05 0.00 -0.02 0.00 0.00 31.44 30.01 1inr n GLU 115 CO 0.00 0.00 0.00 -0.80 1.18 0.00 0.00 177.13 177.51 1inr s ASN 116 N -2.26 6.59 0.22 1.62 0.01 -0.94 -5.15 114.94 115.04 1inr s ASN 116 Ca 0.18 0.75 0.11 0.00 -0.71 0.00 0.00 52.86 53.19 1inr s ASN 116 Cb 0.17 -2.16 -0.05 0.00 0.41 0.00 0.00 41.25 39.63 1inr s ASN 116 CO 0.49 0.08 -0.21 -1.59 -1.51 0.00 0.00 177.10 174.36 1inr s LYS 117 N -2.36 1.54 -0.11 -0.60 -2.85 -1.26 -5.05 119.74 109.04 1inr s LYS 117 Ca 0.39 -1.61 -0.30 0.00 -1.00 0.00 0.00 55.97 53.45 1inr s LYS 117 Cb -0.13 -1.71 -0.02 0.00 -2.06 0.00 0.00 37.83 33.91 1inr s LYS 117 CO 0.21 0.34 1.24 0.45 0.10 0.00 0.00 175.35 177.70 1inr s SER 118 N -3.04 6.98 0.15 0.03 0.15 -1.26 -4.92 113.70 111.80 1inr s SER 118 Ca 0.24 1.76 -0.14 0.00 0.70 0.00 0.00 55.95 58.51 1inr s SER 118 Cb -0.06 -2.55 0.03 0.00 -1.71 0.00 0.00 66.02 61.74 1inr s SER 118 CO 0.11 -0.69 1.72 0.50 1.20 0.00 0.00 173.24 176.09 1inr h LYS 119 N 7.88 0.72 -0.90 5.44 1.63 -1.99 -2.27 116.57 127.08 1inr h LYS 119 Ca -0.30 -0.12 0.06 0.00 -0.85 0.00 0.00 60.65 59.44 1inr h LYS 119 Cb 1.13 -0.12 -0.06 0.00 -0.60 0.00 0.00 32.23 32.58 1inr h LYS 119 CO 0.93 0.63 0.59 0.00 -3.45 0.00 0.00 179.45 178.15 1inr h ALA 120 N 1.06 1.50 -0.28 5.00 0.00 -1.99 0.52 119.26 125.06 1inr h ALA 120 Ca 0.17 -0.03 -0.10 0.00 0.00 0.00 0.00 54.91 54.95 1inr h ALA 120 Cb 0.16 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.66 1inr h ALA 120 CO -0.02 0.37 -0.24 0.28 0.00 0.00 0.00 179.25 179.64 1inr h VAL 121 N 1.04 1.27 -0.34 0.00 2.07 -1.94 -1.99 116.25 116.35 1inr h VAL 121 Ca 0.39 -1.27 -0.11 0.00 0.82 0.00 0.00 66.70 66.53 1inr h VAL 121 Cb 0.18 1.31 -0.01 0.00 -1.52 0.00 0.00 31.29 31.24 1inr h VAL 121 CO -0.14 0.41 -0.24 -0.08 0.02 0.00 0.00 177.57 177.54 1inr h GLU 122 N 0.48 0.68 0.11 1.57 4.81 -0.37 -1.60 114.58 120.25 1inr h GLU 122 Ca 0.07 -0.27 -0.01 0.00 -0.13 0.00 0.00 59.36 59.02 1inr h GLU 122 Cb 0.67 -0.03 0.00 0.00 0.63 0.00 0.00 28.75 30.02 1inr h GLU 122 CO 0.05 0.86 -0.05 1.96 -0.73 0.00 0.00 179.01 181.09 1inr h GLN 123 N 0.59 -0.15 -0.78 1.92 4.20 -0.81 -1.04 115.11 119.05 1inr h GLN 123 Ca 0.08 0.01 0.14 0.00 0.06 0.00 0.00 58.65 58.94 1inr h GLN 123 Cb 0.72 0.03 -0.09 0.00 0.30 0.00 0.00 27.48 28.44 1inr h GLN 123 CO 0.06 -0.01 0.35 0.28 -0.67 0.00 0.00 178.83 178.84 1inr h VAL 124 N -0.26 0.70 -0.06 -0.54 2.07 -1.12 0.10 116.25 117.13 1inr h VAL 124 Ca -0.02 -0.18 -0.17 0.00 0.82 0.00 0.00 66.70 67.16 1inr h VAL 124 Cb 0.21 0.14 -0.01 0.00 -1.52 0.00 0.00 31.29 30.11 1inr h VAL 124 CO 0.03 0.09 -0.71 0.11 0.02 0.00 0.00 177.57 177.11 1inr h LYS 125 N 0.51 0.32 -0.14 1.57 1.57 -1.05 -1.47 116.57 117.88 1inr h LYS 125 Ca 0.42 -0.26 -0.19 0.00 -1.87 0.00 0.00 60.65 58.76 1inr h LYS 125 Cb 0.62 0.05 0.01 0.00 0.08 0.00 0.00 32.23 32.99 1inr h LYS 125 CO -0.38 0.90 -0.64 -0.91 -0.57 0.00 0.00 179.45 177.85 1inr h ASN 126 N 0.22 0.82 -0.21 0.86 -0.26 0.02 -1.63 115.58 115.40 1inr h ASN 126 Ca -0.02 -0.62 0.04 0.00 -0.56 0.00 0.00 56.30 55.13 1inr h ASN 126 Cb 1.27 -0.24 -0.03 0.00 -1.06 0.00 0.00 38.32 38.25 1inr h ASN 126 CO 0.12 1.31 -0.00 0.00 -1.06 0.00 0.00 177.43 177.79 1inr h ALA 127 N 0.53 0.18 -0.54 -0.83 0.00 -0.81 -0.21 119.26 117.58 1inr h ALA 127 Ca -0.04 0.06 0.10 0.00 0.00 0.00 0.00 54.91 55.03 1inr h ALA 127 Cb 1.28 0.10 -0.08 0.00 0.00 0.00 0.00 17.79 19.09 1inr h ALA 127 CO 0.13 -0.43 0.05 0.35 0.00 0.00 0.00 179.25 179.36 1inr h PHE 128 N 0.06 0.07 -0.14 0.00 3.57 -1.25 0.02 116.94 119.28 1inr h PHE 128 Ca 0.10 0.04 -0.17 0.00 3.53 0.00 0.00 57.97 61.47 1inr h PHE 128 Cb 0.13 0.05 0.01 0.00 2.79 0.00 0.00 35.95 38.93 1inr h PHE 128 CO -0.18 -0.08 -0.57 -0.91 -2.23 0.00 0.00 178.31 174.33 1inr h ASN 129 N 0.18 0.74 -0.23 0.41 2.35 -1.04 -2.97 115.58 115.02 1inr h ASN 129 Ca 0.28 -0.62 -0.00 0.00 -0.55 0.00 0.00 56.30 55.41 1inr h ASN 129 Cb 0.42 -0.22 -0.01 0.00 0.05 0.00 0.00 38.32 38.56 1inr h ASN 129 CO -0.41 1.24 0.14 0.11 -1.65 0.00 0.00 177.43 176.86 1inr h LYS 130 N 0.29 0.32 0.00 0.81 6.56 -0.50 -2.65 116.57 121.40 1inr h LYS 130 Ca -0.03 -0.02 0.00 0.00 -1.06 0.00 0.00 60.65 59.53 1inr h LYS 130 Cb 1.21 -0.07 0.00 0.00 -0.57 0.00 0.00 32.23 32.80 1inr h LYS 130 CO 0.12 0.23 0.00 -0.07 -2.06 0.00 0.00 179.45 177.67 1inr h LEU 131 N 0.32 0.00 0.00 2.94 3.38 -0.98 -3.49 115.31 117.49 1inr h LEU 131 Ca 0.09 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.06 1inr h LEU 131 Cb -0.01 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.74 1inr h LEU 131 CO -0.02 0.00 0.00 0.00 0.09 0.00 0.00 178.44 178.51 1inr n GLN 132 N -2.95 0.00 -0.11 1.13 6.02 -1.00 -2.50 117.38 117.96 1inr n GLN 132 Ca 0.01 0.00 0.20 0.00 -0.01 0.00 0.00 57.00 57.21 1inr n GLN 132 Cb 0.32 0.00 0.62 0.00 1.02 0.00 0.00 30.24 32.21 1inr n GLN 132 CO 0.00 0.00 0.00 1.49 -1.01 0.00 0.00 177.06 177.54 1inr h GLU 133 N 0.00 0.16 0.00 -1.09 4.81 -1.92 0.81 114.58 117.35 1inr h GLU 133 Ca 0.00 -0.01 -0.08 0.00 -0.13 0.00 0.00 59.36 59.14 1inr h GLU 133 Cb 0.00 -0.04 -0.01 0.00 0.63 0.00 0.00 28.75 29.33 1inr h GLU 133 CO 0.00 0.11 -0.39 0.87 -0.73 0.00 0.00 179.01 178.86 1inr h LYS 134 N 0.17 0.00 -0.53 1.92 1.57 -1.86 -2.83 116.57 115.02 1inr h LYS 134 Ca 0.35 0.00 -0.05 0.00 -1.87 0.00 0.00 60.65 59.08 1inr h LYS 134 Cb 1.13 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 33.41 1inr h LYS 134 CO -0.06 0.39 0.15 0.78 -0.57 0.00 0.00 179.45 180.14 1inr h GLY 135 N 1.60 0.90 0.70 3.86 0.00 0.63 -2.13 103.07 108.63 1inr h GLY 135 Ca -0.00 -0.55 0.06 0.00 0.00 0.00 0.00 47.33 46.83 1inr h GLY 135 CO 0.05 0.51 0.43 -2.22 0.00 0.00 0.00 176.54 175.32 1inr h ILE 136 N 0.74 1.00 0.34 2.60 2.04 -1.48 -1.17 117.51 121.57 1inr h ILE 136 Ca 0.17 -0.27 -0.02 0.00 1.00 0.00 0.00 64.86 65.74 1inr h ILE 136 Cb 0.31 0.13 0.00 0.00 -0.74 0.00 0.00 36.82 36.52 1inr h ILE 136 CO -0.00 0.15 -0.16 0.22 0.00 0.00 0.00 178.15 178.35 1inr h TYR 137 N 0.80 -0.42 -0.07 1.37 3.20 -1.53 -0.08 116.97 120.23 1inr h TYR 137 Ca 0.33 -0.01 -0.00 0.00 3.14 0.00 0.00 58.73 62.19 1inr h TYR 137 Cb 0.18 0.14 -0.00 0.00 1.54 0.00 0.00 36.73 38.58 1inr h TYR 137 CO -0.06 -0.20 0.04 -0.22 -1.64 0.00 0.00 178.16 176.08 1inr h LYS 138 N -0.55 0.09 -0.29 1.82 3.64 -1.15 0.52 116.57 120.65 1inr h LYS 138 Ca -0.05 -0.01 -0.08 0.00 -1.27 0.00 0.00 60.65 59.25 1inr h LYS 138 Cb 0.41 -0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 32.20 1inr h LYS 138 CO 0.08 0.12 -0.12 0.00 -2.27 0.00 0.00 179.45 177.26 1inr h ALA 139 N 0.96 0.41 -0.59 5.00 0.00 -1.19 -1.77 119.26 122.07 1inr h ALA 139 Ca 0.02 -0.31 -0.04 0.00 0.00 0.00 0.00 54.91 54.58 1inr h ALA 139 Cb 0.06 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 17.72 1inr h ALA 139 CO -0.00 0.28 0.21 0.52 0.00 0.00 0.00 179.25 180.26 1inr h MET 140 N 0.35 0.90 0.00 0.00 2.86 -0.92 -2.89 114.93 115.23 1inr h MET 140 Ca 0.07 -0.18 -0.04 0.00 -2.06 0.00 0.00 59.70 57.49 1inr h MET 140 Cb 0.63 -0.14 -0.01 0.00 0.06 0.00 0.00 31.60 32.14 1inr h MET 140 CO 0.04 0.79 -0.17 0.66 1.06 0.00 0.00 176.91 179.29 1inr h SER 141 N 0.83 0.00 -0.35 1.22 4.64 -0.69 -1.14 113.55 118.07 1inr h SER 141 Ca 0.19 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.51 1inr h SER 141 Cb 0.24 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.33 1inr h SER 141 CO -0.01 0.17 0.00 -0.62 -0.87 0.00 0.00 176.83 175.50 1inr n GLU 142 N -4.10 2.28 0.27 4.77 1.02 -0.68 -4.51 120.64 119.67 1inr n GLU 142 Ca -0.02 -1.45 0.10 0.00 -0.02 0.00 0.00 57.16 55.76 1inr n GLU 142 Cb 0.25 -1.51 0.70 0.00 -0.02 0.00 0.00 31.44 30.86 1inr n GLU 142 CO 0.00 0.00 0.00 0.35 1.18 0.00 0.00 177.13 178.66 1inr h PHE 143 N 2.16 0.00 0.00 -0.32 3.04 -1.16 -0.48 116.94 120.18 1inr h PHE 143 Ca 0.00 0.00 -0.08 0.00 3.98 0.00 0.00 57.97 61.87 1inr h PHE 143 Cb 0.78 0.00 -0.01 0.00 2.56 0.00 0.00 35.95 39.27 1inr h PHE 143 CO 0.36 0.02 -0.37 0.38 -2.02 0.00 0.00 178.31 176.68 1inr h ASP 144 N 0.00 0.00 -0.16 0.41 3.04 -1.84 -0.94 116.42 116.93 1inr h ASP 144 Ca -0.00 0.00 -0.03 0.00 -3.24 0.00 0.00 57.03 53.76 1inr h ASP 144 Cb 0.04 0.00 -0.01 0.00 -1.04 0.00 0.00 39.33 38.33 1inr h ASP 144 CO 0.00 0.37 -0.01 0.40 -2.04 0.00 0.00 179.24 177.96 1inr h ILE 145 N 0.00 1.26 -0.49 4.15 5.03 -1.42 -1.04 117.51 125.00 1inr h ILE 145 Ca -0.00 -0.89 0.03 0.00 -0.12 0.00 0.00 64.86 63.89 1inr h ILE 145 Cb 0.76 1.53 -0.04 0.00 -3.03 0.00 0.00 36.82 36.05 1inr h ILE 145 CO 0.05 0.26 0.26 0.15 -0.68 0.00 0.00 178.15 178.19 1inr h PHE 146 N 0.02 0.49 -0.83 1.37 3.57 -1.21 -0.40 116.94 119.95 1inr h PHE 146 Ca 0.04 0.02 0.08 0.00 3.53 0.00 0.00 57.97 61.64 1inr h PHE 146 Cb 0.40 -0.15 -0.07 0.00 2.79 0.00 0.00 35.95 38.93 1inr h PHE 146 CO 0.04 0.26 0.49 0.82 -2.23 0.00 0.00 178.31 177.69 1inr h ILE 147 N 0.52 0.98 -0.47 1.41 2.04 -0.97 -1.83 117.51 119.19 1inr h ILE 147 Ca 0.21 -0.30 -0.04 0.00 1.00 0.00 0.00 64.86 65.74 1inr h ILE 147 Cb 0.09 0.03 -0.02 0.00 -0.74 0.00 0.00 36.82 36.18 1inr h ILE 147 CO -0.13 0.16 0.16 0.78 0.00 0.00 0.00 178.15 179.12 1inr h ASN 148 N 0.87 0.68 -0.97 1.72 2.35 -0.31 -1.86 115.58 118.05 1inr h ASN 148 Ca 0.38 -0.20 0.01 0.00 -0.55 0.00 0.00 56.30 55.94 1inr h ASN 148 Cb 0.26 -0.18 -0.05 0.00 0.05 0.00 0.00 38.32 38.40 1inr h ASN 148 CO -0.21 0.69 0.63 1.88 -1.65 0.00 0.00 177.43 178.78 1inr h TYR 149 N 0.62 1.23 0.16 1.19 0.05 -0.58 -1.95 116.97 117.69 1inr h TYR 149 Ca 0.15 0.02 -0.01 0.00 0.05 0.00 0.00 58.73 58.95 1inr h TYR 149 Cb 0.25 -0.41 0.00 0.00 1.01 0.00 0.00 36.73 37.58 1inr h TYR 149 CO 0.01 0.78 -0.08 0.82 -1.05 0.00 0.00 178.16 178.65 1inr h ILE 150 N 1.31 0.89 -0.59 -2.88 2.04 -1.29 -0.56 117.51 116.42 1inr h ILE 150 Ca 0.35 -0.17 0.06 0.00 1.00 0.00 0.00 64.86 66.11 1inr h ILE 150 Cb -0.14 0.99 -0.04 0.00 -0.74 0.00 0.00 36.82 36.90 1inr h ILE 150 CO -0.07 0.04 0.39 -0.08 0.00 0.00 0.00 178.15 178.43 1inr h GLU 151 N -0.29 0.54 -0.26 2.37 4.81 -1.11 -0.46 114.58 120.18 1inr h GLU 151 Ca -0.02 -0.03 -0.00 0.00 -0.13 0.00 0.00 59.36 59.17 1inr h GLU 151 Cb 0.23 -0.12 -0.01 0.00 0.63 0.00 0.00 28.75 29.47 1inr h GLU 151 CO 0.04 0.36 0.16 0.00 -0.73 0.00 0.00 179.01 178.83 1inr h ALA 152 N 1.68 0.33 0.60 2.92 0.00 -0.82 -0.69 119.26 123.28 1inr h ALA 152 Ca 0.26 -0.04 -0.03 0.00 0.00 0.00 0.00 54.91 55.09 1inr h ALA 152 Cb 0.30 -0.11 0.01 0.00 0.00 0.00 0.00 17.79 17.99 1inr h ALA 152 CO -0.08 -0.16 -0.29 -0.92 0.00 0.00 0.00 179.25 177.80 1inr h TYR 153 N 0.33 -0.75 0.00 0.00 3.20 -0.06 -1.24 116.97 118.45 1inr h TYR 153 Ca 0.09 -0.02 -0.00 0.00 3.14 0.00 0.00 58.73 61.94 1inr h TYR 153 Cb 0.02 0.25 -0.00 0.00 1.54 0.00 0.00 36.73 38.53 1inr h TYR 153 CO -0.05 -0.45 -0.01 0.00 -1.64 0.00 0.00 178.16 176.01 1inr h MET 154 N -0.84 0.00 0.06 1.82 -0.00 -0.93 0.49 114.93 115.53 1inr h MET 154 Ca -0.08 0.00 -0.24 0.00 -0.00 0.00 0.00 59.70 59.38 1inr h MET 154 Cb 0.63 0.00 -0.01 0.00 -0.00 0.00 0.00 31.60 32.22 1inr h MET 154 CO 0.14 0.01 -1.11 1.15 -0.00 0.00 0.00 176.91 177.10 1inr h THR 155 N 0.00 1.61 -0.82 -0.10 2.02 -0.99 -2.52 112.91 112.10 1inr h THR 155 Ca -0.00 -3.23 0.10 0.00 0.77 0.00 0.00 66.41 64.05 1inr h THR 155 Cb 0.09 2.88 -0.08 0.00 -1.74 0.00 0.00 68.15 69.30 1inr h THR 155 CO 0.00 0.93 0.46 -0.03 0.37 0.00 0.00 175.52 177.26 1inr h MET 156 N 0.04 0.74 0.00 6.66 -1.53 0.12 -1.65 114.93 119.31 1inr h MET 156 Ca -0.07 -0.04 0.00 0.00 -3.44 0.00 0.00 59.70 56.15 1inr h MET 156 Cb 1.86 -0.17 0.00 0.00 -0.55 0.00 0.00 31.60 32.74 1inr h MET 156 CO 0.17 0.49 -0.24 1.63 0.14 0.00 0.00 176.91 179.09 1inr n LYS 157 N -4.76 0.03 0.19 0.39 4.76 -0.82 -3.04 118.16 114.91 1inr n LYS 157 Ca 0.14 0.02 0.13 0.00 -2.87 0.00 0.00 58.31 55.73 1inr n LYS 157 Cb 0.30 -1.53 0.40 0.00 -1.84 0.00 0.00 35.03 32.36 1inr n LYS 157 CO 0.00 0.00 0.00 0.82 -1.37 0.00 0.00 177.40 176.85 1inr h ILE 158 N 0.00 0.00 -0.01 -0.18 5.03 -0.84 -3.51 117.51 118.00 1inr h ILE 158 Ca 0.00 -0.63 0.00 0.00 -0.12 0.00 0.00 64.86 64.11 1inr h ILE 158 Cb 0.53 1.59 0.00 0.00 -3.03 0.00 0.00 36.82 35.91 1inr h ILE 158 CO 0.00 0.00 0.00 -1.14 -0.68 0.00 0.00 178.15 176.33