#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1isk n ASN 2 N 0.00 -3.01 -3.81 3.17 2.85 -1.26 -5.04 115.26 108.16 1isk n ASN 2 Ca 0.00 -0.39 -0.11 0.00 -0.11 0.00 0.00 54.58 53.97 1isk n ASN 2 Cb 0.00 -0.77 -0.08 0.00 1.24 0.00 0.00 39.78 40.17 1isk n ASN 2 CO 0.00 0.00 0.00 0.28 -2.11 0.00 0.00 177.26 175.43 1isk s THR 3 N -2.08 0.10 0.15 -0.44 -1.32 -1.26 -5.00 115.64 105.79 1isk s THR 3 Ca 0.37 -0.81 -0.02 0.00 -1.21 0.00 0.00 61.69 60.01 1isk s THR 3 Cb -0.06 -0.93 -0.15 0.00 -1.51 0.00 0.00 72.50 69.85 1isk s THR 3 CO 0.35 -0.45 1.36 1.55 -2.21 0.00 0.00 174.62 175.22 1isk h PRO 4 N 3.35 0.38 -0.74 7.08 0.13 -1.93 -1.29 132.00 138.97 1isk h PRO 4 Ca -0.32 -0.37 -0.06 0.00 -0.87 0.00 0.00 66.00 64.39 1isk h PRO 4 Cb 1.19 0.09 -0.03 0.00 0.13 0.00 0.00 31.00 32.39 1isk h PRO 4 CO 0.47 1.03 0.24 1.05 -0.23 0.00 0.00 178.00 180.57 1isk h GLU 5 N 0.23 1.14 -0.04 0.86 4.11 -1.98 0.70 114.58 119.60 1isk h GLU 5 Ca -0.06 -0.24 -0.04 0.00 0.07 0.00 0.00 59.36 59.09 1isk h GLU 5 Cb 1.46 -0.17 0.00 0.00 0.50 0.00 0.00 28.75 30.54 1isk h GLU 5 CO 0.14 0.97 -0.15 1.25 0.07 0.00 0.00 179.01 181.30 1isk h HIS 6 N 1.09 0.22 -0.13 2.06 2.76 -1.97 -1.07 115.15 118.11 1isk h HIS 6 Ca 0.24 -0.09 0.04 0.00 -2.20 0.00 0.00 60.37 58.36 1isk h HIS 6 Cb 0.29 -0.04 -0.05 0.00 1.55 0.00 0.00 27.41 29.17 1isk h HIS 6 CO 0.02 0.78 -0.18 0.52 -1.30 0.00 0.00 177.93 177.77 1isk h MET 7 N -0.40 -0.22 0.06 5.26 2.86 -1.11 0.39 114.93 121.77 1isk h MET 7 Ca -0.01 0.02 -0.00 0.00 -2.06 0.00 0.00 59.70 57.64 1isk h MET 7 Cb 0.79 0.05 0.00 0.00 0.06 0.00 0.00 31.60 32.50 1isk h MET 7 CO 0.03 -0.15 -0.03 1.15 1.06 0.00 0.00 176.91 178.98 1isk h THR 8 N -0.23 1.01 -0.81 2.22 2.02 -0.93 -0.95 112.91 115.25 1isk h THR 8 Ca 0.10 -0.21 0.15 0.00 0.77 0.00 0.00 66.41 67.22 1isk h THR 8 Cb 0.37 1.15 -0.06 0.00 -1.74 0.00 0.00 68.15 67.87 1isk h THR 8 CO -0.26 0.05 0.53 0.00 0.37 0.00 0.00 175.52 176.21 1isk h ALA 9 N 0.77 2.06 0.11 6.16 0.00 -0.81 -0.27 119.26 127.28 1isk h ALA 9 Ca -0.01 0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.90 1isk h ALA 9 Cb 0.15 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.87 1isk h ALA 9 CO 0.01 -0.28 -0.06 0.28 0.00 0.00 0.00 179.25 179.21 1isk h VAL 10 N 0.48 1.04 -0.55 0.00 2.07 0.45 0.24 116.25 119.99 1isk h VAL 10 Ca 0.40 -0.63 0.11 0.00 0.82 0.00 0.00 66.70 67.40 1isk h VAL 10 Cb 0.86 1.44 -0.10 0.00 -1.52 0.00 0.00 31.29 31.96 1isk h VAL 10 CO -0.15 0.15 -0.11 0.58 0.02 0.00 0.00 177.57 178.06 1isk h VAL 11 N -0.45 0.47 -0.58 2.57 2.07 0.24 0.45 116.25 121.03 1isk h VAL 11 Ca -0.02 -0.01 -0.00 0.00 0.82 0.00 0.00 66.70 67.49 1isk h VAL 11 Cb 0.37 0.45 -0.03 0.00 -1.52 0.00 0.00 31.29 30.56 1isk h VAL 11 CO 0.03 0.00 0.34 -0.61 0.02 0.00 0.00 177.57 177.35 1isk h GLN 12 N 0.02 0.79 -0.82 1.57 4.15 -1.11 -0.28 115.11 119.42 1isk h GLN 12 Ca 0.27 -0.08 0.03 0.00 0.77 0.00 0.00 58.65 59.64 1isk h GLN 12 Cb 0.41 -0.16 -0.04 0.00 0.21 0.00 0.00 27.48 27.89 1isk h GLN 12 CO -0.55 0.57 0.54 -0.09 -1.93 0.00 0.00 178.83 177.38 1isk h ARG 13 N 0.78 1.01 0.15 1.69 2.43 0.13 -0.38 114.38 120.19 1isk h ARG 13 Ca 0.21 -0.06 -0.01 0.00 -0.81 0.00 0.00 59.98 59.31 1isk h ARG 13 Cb -0.00 -0.23 0.00 0.00 -0.42 0.00 0.00 29.97 29.32 1isk h ARG 13 CO -0.04 0.67 -0.07 -0.92 -1.51 0.00 0.00 179.97 178.10 1isk h TYR 14 N 1.04 -0.19 -0.26 2.20 3.20 0.50 0.26 116.97 123.73 1isk h TYR 14 Ca 0.32 -0.00 0.06 0.00 3.14 0.00 0.00 58.73 62.25 1isk h TYR 14 Cb -0.01 0.06 -0.07 0.00 1.54 0.00 0.00 36.73 38.25 1isk h TYR 14 CO -0.00 0.18 -0.19 0.28 -1.64 0.00 0.00 178.16 176.79 1isk h VAL 15 N -0.60 0.48 0.64 1.81 2.07 -0.77 0.39 116.25 120.27 1isk h VAL 15 Ca -0.02 0.00 -0.03 0.00 0.82 0.00 0.00 66.70 67.47 1isk h VAL 15 Cb 0.45 0.48 0.01 0.00 -1.52 0.00 0.00 31.29 30.71 1isk h VAL 15 CO 0.03 0.00 -0.31 0.00 0.02 0.00 0.00 177.57 177.32 1isk h ALA 16 N 0.96 -1.19 -1.67 1.67 0.00 -1.09 -0.93 119.26 117.01 1isk h ALA 16 Ca 0.14 -0.19 0.49 0.00 0.00 0.00 0.00 54.91 55.36 1isk h ALA 16 Cb 0.40 0.33 -0.08 0.00 0.00 0.00 0.00 17.79 18.44 1isk h ALA 16 CO -0.37 -1.13 1.18 0.00 0.00 0.00 0.00 179.25 178.94 1isk h ALA 17 N -1.58 3.49 0.53 0.00 0.00 -0.21 0.69 119.26 122.17 1isk h ALA 17 Ca -0.09 -0.03 -0.03 0.00 0.00 0.00 0.00 54.91 54.77 1isk h ALA 17 Cb 0.65 0.14 0.01 0.00 0.00 0.00 0.00 17.79 18.59 1isk h ALA 17 CO 0.14 -2.01 -0.25 1.25 0.00 0.00 0.00 179.25 178.38 1isk h LEU 18 N 0.02 -0.60 -2.00 0.00 5.85 0.51 0.39 115.31 119.48 1isk h LEU 18 Ca 0.83 -0.01 0.00 0.00 0.84 0.00 0.00 57.88 59.54 1isk h LEU 18 Cb 3.20 0.16 0.00 0.00 0.37 0.00 0.00 40.66 44.38 1isk h LEU 18 CO -0.09 -0.19 0.06 -1.13 -0.34 0.00 0.00 178.44 176.75 1isk h ASN 19 N -1.15 0.00 0.64 1.25 -0.73 0.15 0.38 115.58 116.12 1isk h ASN 19 Ca -0.07 0.00 -0.27 0.00 1.87 0.00 0.00 56.30 57.83 1isk h ASN 19 Cb 0.57 0.00 -0.03 0.00 0.27 0.00 0.00 38.32 39.14 1isk h ASN 19 CO 0.12 0.00 -1.40 0.00 -0.37 0.00 0.00 177.43 175.78 1isk h ALA 20 N 1.87 0.43 -0.21 1.57 0.00 0.05 -3.48 119.26 119.47 1isk h ALA 20 Ca 0.00 -1.13 0.00 0.00 0.00 0.00 0.00 54.91 53.78 1isk h ALA 20 Cb 0.12 0.19 0.00 0.00 0.00 0.00 0.00 17.79 18.09 1isk h ALA 20 CO 0.00 1.29 0.00 0.41 0.00 0.00 0.00 179.25 180.95 1isk n GLY 21 N 1.53 0.75 3.50 0.00 0.00 0.13 -4.99 105.19 106.12 1isk n GLY 21 Ca -0.11 -0.68 -0.42 0.00 0.00 0.00 0.00 46.02 44.81 1isk n GLY 21 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1isk s ASP 22 N -2.81 6.37 -0.04 1.61 1.11 -0.53 -4.84 116.67 117.54 1isk s ASP 22 Ca 0.00 -1.26 -0.19 0.00 0.18 0.00 0.00 52.55 51.28 1isk s ASP 22 Cb 0.00 -2.49 -0.13 0.00 1.07 0.00 0.00 42.92 41.38 1isk s ASP 22 CO 0.00 -1.46 0.80 -0.07 1.18 0.00 0.00 175.17 175.63 1isk h LEU 23 N 11.90 -0.33 -0.73 1.23 3.38 -1.94 0.25 115.31 129.06 1isk h LEU 23 Ca -0.04 -0.17 -0.03 0.00 0.09 0.00 0.00 57.88 57.73 1isk h LEU 23 Cb 1.04 0.08 -0.03 0.00 0.09 0.00 0.00 40.66 41.84 1isk h LEU 23 CO 1.26 0.15 0.35 -0.78 0.09 0.00 0.00 178.44 179.51 1isk h ASP 24 N -0.98 0.96 0.55 -0.43 3.58 -1.98 -0.43 116.42 117.69 1isk h ASP 24 Ca -0.04 -0.14 -0.03 0.00 0.42 0.00 0.00 57.03 57.25 1isk h ASP 24 Cb 0.48 -0.25 0.01 0.00 1.72 0.00 0.00 39.33 41.29 1isk h ASP 24 CO 0.06 0.83 -0.26 1.23 -2.88 0.00 0.00 179.24 178.22 1isk h GLY 25 N 1.03 -0.77 -0.30 -0.78 0.00 -1.95 0.11 103.07 100.40 1isk h GLY 25 Ca 0.25 0.29 0.29 0.00 0.00 0.00 0.00 47.33 48.15 1isk h GLY 25 CO -0.03 -0.28 0.65 -2.22 0.00 0.00 0.00 176.54 174.66 1isk h ILE 26 N -0.85 0.45 -0.44 2.60 2.04 -0.49 1.43 117.51 122.25 1isk h ILE 26 Ca -0.08 -0.14 -0.11 0.00 1.00 0.00 0.00 64.86 65.54 1isk h ILE 26 Cb 0.56 0.00 -0.02 0.00 -0.74 0.00 0.00 36.82 36.63 1isk h ILE 26 CO 0.12 0.07 -0.16 0.58 0.00 0.00 0.00 178.15 178.77 1isk h VAL 27 N 0.41 1.27 0.00 1.67 2.07 -0.89 -1.72 116.25 119.06 1isk h VAL 27 Ca 0.66 -1.26 0.00 0.00 0.82 0.00 0.00 66.70 66.91 1isk h VAL 27 Cb 1.56 1.10 0.00 0.00 -1.52 0.00 0.00 31.29 32.43 1isk h VAL 27 CO -0.42 0.43 0.00 0.00 0.02 0.00 0.00 177.57 177.61 1isk h ALA 28 N 1.08 1.00 -0.31 1.67 0.00 0.44 -3.06 119.26 120.07 1isk h ALA 28 Ca 0.11 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.02 1isk h ALA 28 Cb 0.67 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.45 1isk h ALA 28 CO 0.05 0.00 0.20 1.25 0.00 0.00 0.00 179.25 180.75 1isk h LEU 29 N 0.00 0.37 0.00 0.00 6.46 0.80 -3.45 115.31 119.49 1isk h LEU 29 Ca 0.00 -0.03 -0.39 0.00 -0.12 0.00 0.00 57.88 57.33 1isk h LEU 29 Cb 0.60 -0.09 -0.04 0.00 -0.73 0.00 0.00 40.66 40.40 1isk h LEU 29 CO 0.00 0.29 -0.22 2.22 -0.62 0.00 0.00 178.44 180.12 1isk n PHE 30 N -4.85 -0.46 -0.48 1.25 1.16 -1.16 -4.77 117.46 108.14 1isk n PHE 30 Ca -0.01 -1.56 -0.17 0.00 -1.87 0.00 0.00 57.45 53.83 1isk n PHE 30 Cb 0.04 -0.28 0.16 0.00 -1.61 0.00 0.00 39.48 37.79 1isk n PHE 30 CO 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 176.76 174.89 1isk n ALA 31 N -2.17 -0.65 0.11 1.98 0.00 0.94 -4.90 120.51 115.82 1isk n ALA 31 Ca -0.12 -1.07 0.08 0.00 0.00 0.00 0.00 53.44 52.34 1isk n ALA 31 Cb 0.41 -0.87 -0.13 0.00 0.00 0.00 0.00 19.45 18.87 1isk n ALA 31 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1isk n ASP 32 N -1.66 1.04 -1.14 0.00 8.00 -1.26 -4.38 116.55 117.15 1isk n ASP 32 Ca 0.07 -0.13 -0.01 0.00 0.71 0.00 0.00 54.79 55.42 1isk n ASP 32 Cb 0.34 1.67 0.14 0.00 -0.02 0.00 0.00 41.12 43.24 1isk n ASP 32 CO 0.00 0.00 0.00 -0.90 -0.39 0.00 0.00 177.20 175.91 1isk n ASP 33 N -1.99 2.36 -4.82 -2.24 5.68 -1.26 -1.30 116.55 112.97 1isk n ASP 33 Ca -0.02 -3.55 -0.31 0.00 -0.50 0.00 0.00 54.79 50.41 1isk n ASP 33 Cb 0.42 -0.46 0.06 0.00 -1.14 0.00 0.00 41.12 40.00 1isk n ASP 33 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1isk s ALA 34 N -2.96 2.63 -0.20 2.12 0.00 -1.26 -4.44 121.76 117.64 1isk s ALA 34 Ca 0.40 -0.03 -0.06 0.00 0.00 0.00 0.00 51.96 52.27 1isk s ALA 34 Cb 0.38 -3.14 -0.03 0.00 0.00 0.00 0.00 23.12 20.33 1isk s ALA 34 CO -0.06 -1.29 0.04 0.95 0.00 0.00 0.00 175.76 175.40 1isk s THR 35 N -3.10 4.34 -0.14 0.00 -4.23 -0.33 -1.12 115.64 111.06 1isk s THR 35 Ca 0.58 -0.18 -0.08 0.00 -1.18 0.00 0.00 61.69 60.83 1isk s THR 35 Cb -0.14 -2.97 -0.04 0.00 1.34 0.00 0.00 72.50 70.69 1isk s THR 35 CO 0.55 0.42 0.14 -0.69 -0.54 0.00 0.00 174.62 174.49 1isk s VAL 36 N 0.85 5.47 -0.48 2.29 1.01 0.17 -1.16 120.40 128.56 1isk s VAL 36 Ca 0.02 0.20 0.08 0.00 0.00 0.00 0.00 61.98 62.28 1isk s VAL 36 Cb -0.14 -3.41 0.27 0.00 0.00 0.00 0.00 36.38 33.09 1isk s VAL 36 CO 0.02 0.57 0.64 -0.62 0.00 0.00 0.00 175.10 175.71 1isk n GLU 37 N 2.39 1.45 -4.95 2.72 1.02 0.18 -0.55 120.64 122.89 1isk n GLU 37 Ca -0.19 -3.78 -0.32 0.00 -0.02 0.00 0.00 57.16 52.84 1isk n GLU 37 Cb 0.54 -1.65 -0.14 0.00 -0.02 0.00 0.00 31.44 30.18 1isk n GLU 37 CO 0.00 0.00 0.00 0.34 1.18 0.00 0.00 177.13 178.65 1isk s ASP 38 N -1.85 3.82 0.01 1.62 2.15 -1.26 -1.32 116.67 119.84 1isk s ASP 38 Ca 0.38 -0.28 -0.20 0.00 0.43 0.00 0.00 52.55 52.88 1isk s ASP 38 Cb 0.19 -0.94 -0.22 0.00 -0.30 0.00 0.00 42.92 41.65 1isk s ASP 38 CO -0.08 0.30 1.14 1.55 -0.17 0.00 0.00 175.17 177.91 1isk h PRO 39 N 5.69 0.42 0.00 4.34 0.13 -1.89 -3.48 132.00 137.21 1isk h PRO 39 Ca -0.41 -0.41 -0.32 0.00 -0.87 0.00 0.00 66.00 64.00 1isk h PRO 39 Cb 1.16 0.11 -0.05 0.00 0.13 0.00 0.00 31.00 32.35 1isk h PRO 39 CO 0.51 1.06 -0.21 0.28 -0.23 0.00 0.00 178.00 179.41 1isk n VAL 40 N -4.26 0.00 0.30 1.56 0.31 -1.21 0.41 118.33 115.45 1isk n VAL 40 Ca -0.10 -1.16 0.14 0.00 -0.01 0.00 0.00 64.34 63.22 1isk n VAL 40 Cb 0.63 0.11 0.69 0.00 -0.91 0.00 0.00 33.84 34.36 1isk n VAL 40 CO 0.00 0.00 0.00 1.23 -1.32 0.00 0.00 176.83 176.74 1isk h GLY 41 N 0.53 0.00 -7.00 2.92 0.00 -1.78 -3.42 103.07 94.32 1isk h GLY 41 Ca -0.20 0.00 -0.76 0.00 0.00 0.00 0.00 47.33 46.37 1isk h GLY 41 CO 0.33 0.00 1.34 -1.26 0.00 0.00 0.00 176.54 176.94 1isk n SER 42 N -2.92 0.90 -3.35 0.19 2.88 -1.26 -2.20 113.62 107.86 1isk n SER 42 Ca -0.00 0.64 -0.23 0.00 -1.33 0.00 0.00 58.87 57.95 1isk n SER 42 Cb 0.51 -0.94 0.02 0.00 -0.75 0.00 0.00 64.21 63.05 1isk n SER 42 CO 0.00 0.00 0.00 -1.84 -1.23 0.00 0.00 175.04 171.97 1isk n GLU 43 N 7.59 -1.40 -0.98 -1.46 0.28 -1.26 -4.78 120.64 118.62 1isk n GLU 43 Ca 0.54 1.26 -0.20 0.00 -0.16 0.00 0.00 57.16 58.60 1isk n GLU 43 Cb -0.01 -1.90 0.15 0.00 1.43 0.00 0.00 31.44 31.11 1isk n GLU 43 CO 0.00 0.00 0.00 -0.35 -0.16 0.00 0.00 177.13 176.62 1isk n PRO 44 N 0.36 -1.63 -3.43 3.44 -0.04 -0.93 -4.87 135.00 127.91 1isk n PRO 44 Ca -0.05 -1.26 -0.06 0.00 -0.04 0.00 0.00 63.50 62.09 1isk n PRO 44 Cb 0.59 -0.99 0.02 0.00 -0.04 0.00 0.00 33.50 33.08 1isk n PRO 44 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 1isk n ARG 45 N -3.28 0.87 -3.58 0.54 5.12 0.28 -5.01 116.66 111.61 1isk n ARG 45 Ca 0.11 -1.75 -0.06 0.00 -1.93 0.00 0.00 57.85 54.22 1isk n ARG 45 Cb 0.38 2.22 -0.02 0.00 -1.16 0.00 0.00 32.46 33.88 1isk n ARG 45 CO 0.00 0.00 0.00 -1.54 -1.93 0.00 0.00 177.63 174.16 1isk s SER 46 N -2.87 -0.20 0.00 0.55 1.04 -1.26 0.45 113.70 111.42 1isk s SER 46 Ca 0.15 0.02 0.00 0.00 0.48 0.00 0.00 55.95 56.61 1isk s SER 46 Cb -0.04 0.20 0.00 0.00 0.10 0.00 0.00 66.02 66.28 1isk s SER 46 CO 0.09 -0.32 0.00 0.61 0.98 0.00 0.00 173.24 174.60 1isk n GLY 47 N -0.05 1.43 0.60 7.32 0.00 -0.28 -4.37 105.19 109.85 1isk n GLY 47 Ca -0.02 -1.25 0.39 0.00 0.00 0.00 0.00 46.02 45.15 1isk n GLY 47 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 1isk h THR 48 N 0.00 0.07 0.75 2.61 1.35 -1.48 0.42 112.91 116.63 1isk h THR 48 Ca 0.00 0.00 -0.04 0.00 -0.55 0.00 0.00 66.41 65.82 1isk h THR 48 Cb 0.00 0.09 0.01 0.00 -1.73 0.00 0.00 68.15 66.51 1isk h THR 48 CO 0.00 0.00 -0.37 0.00 -0.25 0.00 0.00 175.52 174.90 1isk h ALA 49 N 0.88 -1.27 -0.06 6.62 0.00 -1.86 0.41 119.26 123.98 1isk h ALA 49 Ca 0.68 -0.22 -0.00 0.00 0.00 0.00 0.00 54.91 55.36 1isk h ALA 49 Cb 3.13 0.41 -0.00 0.00 0.00 0.00 0.00 17.79 21.32 1isk h ALA 49 CO -0.01 -1.20 0.03 0.00 0.00 0.00 0.00 179.25 178.07 1isk h ALA 50 N -1.51 0.08 -1.02 0.00 0.00 -0.48 -0.72 119.26 115.62 1isk h ALA 50 Ca -0.10 -0.09 0.25 0.00 0.00 0.00 0.00 54.91 54.96 1isk h ALA 50 Cb 0.78 -0.03 -0.09 0.00 0.00 0.00 0.00 17.79 18.46 1isk h ALA 50 CO 0.16 -0.33 0.65 0.82 0.00 0.00 0.00 179.25 180.56 1isk h ILE 51 N -0.06 0.56 0.00 0.00 2.04 -0.89 0.39 117.51 119.56 1isk h ILE 51 Ca 0.02 -0.15 0.00 0.00 1.00 0.00 0.00 64.86 65.73 1isk h ILE 51 Cb 0.17 0.09 0.00 0.00 -0.74 0.00 0.00 36.82 36.34 1isk h ILE 51 CO -0.00 0.08 0.00 -1.14 0.00 0.00 0.00 178.15 177.09 1isk n ARG 52 N -4.63 0.00 -0.60 2.37 0.63 0.14 -1.49 116.66 113.08 1isk n ARG 52 Ca 0.24 0.42 0.48 0.00 -0.92 0.00 0.00 57.85 58.07 1isk n ARG 52 Cb 0.82 -1.14 0.78 0.00 0.45 0.00 0.00 32.46 33.38 1isk n ARG 52 CO 0.00 0.00 0.00 1.05 -2.51 0.00 0.00 177.63 176.17 1isk h GLU 53 N 0.00 0.01 0.35 -0.14 4.11 -0.82 0.47 114.58 118.57 1isk h GLU 53 Ca 0.00 -0.00 -0.02 0.00 0.07 0.00 0.00 59.36 59.41 1isk h GLU 53 Cb 0.00 -0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.25 1isk h GLU 53 CO 0.00 0.01 -0.17 0.74 0.07 0.00 0.00 179.01 179.66 1isk h PHE 54 N 0.01 -0.44 0.00 2.06 0.04 -0.25 -1.38 116.94 116.99 1isk h PHE 54 Ca 0.86 -0.01 0.00 0.00 2.80 0.00 0.00 57.97 61.62 1isk h PHE 54 Cb 3.32 0.14 0.00 0.00 2.20 0.00 0.00 35.95 41.61 1isk h PHE 54 CO -0.00 -0.27 0.00 0.66 -0.60 0.00 0.00 178.31 178.10 1isk n TYR 55 N -4.39 0.66 -0.01 -0.55 4.01 0.45 -0.55 117.16 116.78 1isk n TYR 55 Ca -0.06 0.33 -0.00 0.00 -0.16 0.00 0.00 57.90 58.01 1isk n TYR 55 Cb 0.19 -1.03 -0.00 0.00 -0.31 0.00 0.00 39.34 38.18 1isk n TYR 55 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1isk h ALA 56 N 2.03 0.00 -0.05 -0.72 0.00 -0.17 -0.20 119.26 120.15 1isk h ALA 56 Ca 0.00 -0.05 0.01 0.00 0.00 0.00 0.00 54.91 54.87 1isk h ALA 56 Cb 0.04 0.02 -0.00 0.00 0.00 0.00 0.00 17.79 17.84 1isk h ALA 56 CO 0.00 0.02 0.18 -2.95 0.00 0.00 0.00 179.25 176.49 1isk h ASN 57 N -0.23 0.00 0.06 0.00 -1.07 -1.07 0.13 115.58 113.40 1isk h ASN 57 Ca 0.00 0.00 -0.13 0.00 0.07 0.00 0.00 56.30 56.24 1isk h ASN 57 Cb 0.02 0.00 -0.00 0.00 -2.07 0.00 0.00 38.32 36.27 1isk h ASN 57 CO 0.00 0.00 -0.65 0.28 0.07 0.00 0.00 177.43 177.13 1isk h SER 58 N 0.00 0.18 0.28 6.14 0.02 -0.93 -3.28 113.55 115.95 1isk h SER 58 Ca 0.02 -0.88 -0.01 0.00 -0.84 0.00 0.00 61.79 60.08 1isk h SER 58 Cb 0.38 -0.06 -0.00 0.00 0.14 0.00 0.00 62.40 62.85 1isk h SER 58 CO -0.00 1.28 -0.04 -0.07 -1.14 0.00 0.00 176.83 176.87 1isk h LEU 59 N -0.72 0.00 -1.87 5.07 3.38 0.64 -1.33 115.31 120.47 1isk h LEU 59 Ca -0.14 0.00 0.03 0.00 0.09 0.00 0.00 57.88 57.86 1isk h LEU 59 Cb 1.34 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 42.09 1isk h LEU 59 CO 0.01 0.04 0.40 0.50 0.09 0.00 0.00 178.44 179.48 1isk h LYS 60 N 0.00 0.00 -5.69 1.13 3.64 -0.88 -3.39 116.57 111.39 1isk h LYS 60 Ca -0.00 0.00 -0.66 0.00 -1.27 0.00 0.00 60.65 58.72 1isk h LYS 60 Cb 0.18 0.00 -0.07 0.00 -0.41 0.00 0.00 32.23 31.93 1isk h LYS 60 CO 0.00 0.00 -0.44 -1.17 -2.27 0.00 0.00 179.45 175.57 1isk s LEU 61 N -6.10 4.40 -0.65 5.20 2.96 -0.50 -4.98 118.68 119.01 1isk s LEU 61 Ca -0.03 0.53 -0.06 0.00 -0.22 0.00 0.00 54.13 54.35 1isk s LEU 61 Cb 0.10 -2.14 -0.13 0.00 0.50 0.00 0.00 46.19 44.52 1isk s LEU 61 CO 0.32 0.40 2.65 -0.81 -1.32 0.00 0.00 176.35 177.59 1isk n PRO 62 N 1.97 2.19 -2.80 0.98 -0.04 -1.26 -4.89 135.00 131.14 1isk n PRO 62 Ca -0.19 -1.30 -0.40 0.00 -0.04 0.00 0.00 63.50 61.57 1isk n PRO 62 Cb 0.55 -2.26 -0.06 0.00 -0.04 0.00 0.00 33.50 31.69 1isk n PRO 62 CO 0.00 0.00 0.00 -1.17 -0.04 0.00 0.00 175.50 174.29 1isk s LEU 63 N 0.07 4.60 -0.37 1.53 1.98 -1.26 -4.73 118.68 120.49 1isk s LEU 63 Ca 0.52 1.83 0.02 0.00 -2.89 0.00 0.00 54.13 53.61 1isk s LEU 63 Cb 0.18 -3.52 0.11 0.00 0.66 0.00 0.00 46.19 43.62 1isk s LEU 63 CO -0.02 0.11 0.11 0.00 -1.89 0.00 0.00 176.35 174.66 1isk s ALA 64 N -0.86 3.00 -0.07 5.97 0.00 0.14 -4.87 121.76 125.07 1isk s ALA 64 Ca 0.41 -2.60 -0.08 0.00 0.00 0.00 0.00 51.96 49.68 1isk s ALA 64 Cb -0.25 -2.10 -0.04 0.00 0.00 0.00 0.00 23.12 20.73 1isk s ALA 64 CO 0.30 -1.75 0.22 0.08 0.00 0.00 0.00 175.76 174.61 1isk s VAL 65 N 0.85 5.37 -0.28 0.00 1.01 -1.26 -1.42 120.40 124.67 1isk s VAL 65 Ca 0.11 0.33 -0.20 0.00 0.00 0.00 0.00 61.98 62.22 1isk s VAL 65 Cb -0.20 -3.50 0.10 0.00 0.00 0.00 0.00 36.38 32.78 1isk s VAL 65 CO -0.07 0.56 0.83 -0.70 0.00 0.00 0.00 175.10 175.72 1isk s GLU 66 N -1.20 0.62 0.34 2.72 2.12 -0.46 -4.83 118.70 118.01 1isk s GLU 66 Ca 0.19 0.93 -0.28 0.00 0.36 0.00 0.00 54.97 56.18 1isk s GLU 66 Cb -0.13 0.20 -0.09 0.00 0.26 0.00 0.00 34.13 34.37 1isk s GLU 66 CO 0.09 -0.11 1.18 -0.48 -0.54 0.00 0.00 175.26 175.40 1isk s LEU 67 N 1.04 4.38 -0.30 2.70 0.05 -1.26 -0.22 118.68 125.06 1isk s LEU 67 Ca -0.05 2.40 0.09 0.00 0.05 0.00 0.00 54.13 56.62 1isk s LEU 67 Cb -0.05 -3.79 0.32 0.00 -2.05 0.00 0.00 46.19 40.62 1isk s LEU 67 CO -0.12 -0.44 1.32 1.07 -0.55 0.00 0.00 176.35 177.63 1isk n THR 68 N 0.65 0.00 0.15 5.48 5.66 -1.19 -4.85 114.28 120.18 1isk n THR 68 Ca 0.01 -0.95 0.00 0.00 -3.05 0.00 0.00 64.05 60.07 1isk n THR 68 Cb 0.45 0.90 0.00 0.00 -1.55 0.00 0.00 70.33 70.13 1isk n THR 68 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1isk n GLN 69 N -1.05 0.00 0.00 1.09 6.02 -1.16 -4.96 117.38 117.31 1isk n GLN 69 Ca -0.13 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.86 1isk n GLN 69 Cb 0.80 0.00 0.00 0.00 1.02 0.00 0.00 30.24 32.06 1isk n GLN 69 CO 0.00 0.00 0.00 0.39 -1.01 0.00 0.00 177.06 176.44 1isk n GLU 70 N -3.43 0.00 -3.88 -1.09 -0.58 -1.25 -4.97 120.64 105.44 1isk n GLU 70 Ca 0.00 0.00 -0.27 0.00 -0.42 0.00 0.00 57.16 56.47 1isk n GLU 70 Cb 0.00 0.00 -0.17 0.00 -0.57 0.00 0.00 31.44 30.70 1isk n GLU 70 CO 0.00 0.00 0.00 0.08 -0.48 0.00 0.00 177.13 176.73 1isk s VAL 71 N -2.00 1.02 -0.42 2.62 1.01 -1.26 -1.21 120.40 120.16 1isk s VAL 71 Ca 0.00 -0.48 -0.12 0.00 0.00 0.00 0.00 61.98 61.38 1isk s VAL 71 Cb 0.00 -1.16 0.05 0.00 0.00 0.00 0.00 36.38 35.27 1isk s VAL 71 CO 0.00 0.19 0.29 -0.13 0.00 0.00 0.00 175.10 175.45 1isk s ARG 72 N 1.69 2.82 -0.23 2.72 0.52 -0.29 -4.93 118.95 121.25 1isk s ARG 72 Ca 0.02 -1.26 -0.10 0.00 -0.52 0.00 0.00 55.73 53.87 1isk s ARG 72 Cb -0.14 -3.89 -0.05 0.00 0.52 0.00 0.00 34.95 31.38 1isk s ARG 72 CO -0.08 -0.88 0.14 0.00 0.02 0.00 0.00 175.30 174.51 1isk s ALA 73 N 1.56 3.60 0.00 2.13 0.00 -1.26 -0.14 121.76 127.65 1isk s ALA 73 Ca 0.03 -0.83 0.00 0.00 0.00 0.00 0.00 51.96 51.16 1isk s ALA 73 Cb -0.22 -2.25 0.00 0.00 0.00 0.00 0.00 23.12 20.66 1isk s ALA 73 CO 0.06 -0.08 0.00 0.28 0.00 0.00 0.00 175.76 176.02 1isk n VAL 74 N 4.05 0.00 -1.53 0.00 0.31 0.13 -4.93 118.33 116.36 1isk n VAL 74 Ca -0.15 0.00 -0.33 0.00 -0.01 0.00 0.00 64.34 63.85 1isk n VAL 74 Cb 0.52 0.00 -0.11 0.00 -0.91 0.00 0.00 33.84 33.34 1isk n VAL 74 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1isk n ALA 75 N -3.00 0.59 -2.57 3.52 0.00 -1.26 -1.40 120.51 116.39 1isk n ALA 75 Ca 0.00 -0.74 -0.02 0.00 0.00 0.00 0.00 53.44 52.68 1isk n ALA 75 Cb 0.00 -2.75 -0.00 0.00 0.00 0.00 0.00 19.45 16.69 1isk n ALA 75 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1isk n ASN 76 N 12.80 -1.02 -4.38 0.00 3.02 -1.26 -4.84 115.26 119.58 1isk n ASN 76 Ca 0.54 0.39 -0.22 0.00 -0.03 0.00 0.00 54.58 55.26 1isk n ASN 76 Cb 0.28 -1.01 -0.11 0.00 -0.61 0.00 0.00 39.78 38.33 1isk n ASN 76 CO 0.00 0.00 0.00 -1.61 -2.62 0.00 0.00 177.26 173.03 1isk s GLU 77 N -5.00 1.41 -0.29 3.52 2.02 -0.49 0.27 118.70 120.13 1isk s GLU 77 Ca 0.05 -1.56 0.02 0.00 0.02 0.00 0.00 54.97 53.49 1isk s GLU 77 Cb -0.03 -1.41 0.16 0.00 0.10 0.00 0.00 34.13 32.95 1isk s GLU 77 CO 0.06 0.27 0.41 0.00 0.02 0.00 0.00 175.26 176.02 1isk s ALA 78 N -2.41 -1.24 -0.37 5.21 0.00 0.35 0.19 121.76 123.49 1isk s ALA 78 Ca 0.22 0.32 -0.04 0.00 0.00 0.00 0.00 51.96 52.46 1isk s ALA 78 Cb -0.04 -2.06 0.07 0.00 0.00 0.00 0.00 23.12 21.09 1isk s ALA 78 CO 0.09 -1.70 0.14 0.00 0.00 0.00 0.00 175.76 174.28 1isk s ALA 79 N 2.55 3.06 0.29 0.00 0.00 0.80 -0.12 121.76 128.35 1isk s ALA 79 Ca 0.10 -2.09 0.10 0.00 0.00 0.00 0.00 51.96 50.07 1isk s ALA 79 Cb -0.13 -2.30 -0.05 0.00 0.00 0.00 0.00 23.12 20.64 1isk s ALA 79 CO -0.29 -1.53 -0.15 -0.59 0.00 0.00 0.00 175.76 173.20 1isk s PHE 80 N 1.28 2.24 -0.12 0.00 -0.71 0.52 -1.14 117.98 120.05 1isk s PHE 80 Ca 0.02 -0.43 0.00 0.00 -1.04 0.00 0.00 56.93 55.48 1isk s PHE 80 Cb -0.21 -1.09 -0.01 0.00 -1.21 0.00 0.00 43.02 40.49 1isk s PHE 80 CO -0.01 0.61 -0.14 0.00 -1.34 0.00 0.00 175.22 174.35 1isk s ALA 81 N -2.62 2.59 0.20 1.99 0.00 -0.35 0.04 121.76 123.62 1isk s ALA 81 Ca 0.30 -0.90 0.01 0.00 0.00 0.00 0.00 51.96 51.36 1isk s ALA 81 Cb -0.02 -1.16 -0.05 0.00 0.00 0.00 0.00 23.12 21.89 1isk s ALA 81 CO 0.14 0.28 0.07 -0.59 0.00 0.00 0.00 175.76 175.66 1isk s PHE 82 N 0.26 1.26 0.22 0.00 -0.71 -0.52 -3.01 117.98 115.49 1isk s PHE 82 Ca -0.10 -1.19 0.05 0.00 -1.04 0.00 0.00 56.93 54.65 1isk s PHE 82 Cb -0.16 -0.70 -0.03 0.00 -1.21 0.00 0.00 43.02 40.92 1isk s PHE 82 CO 0.06 -0.40 0.27 0.95 -1.34 0.00 0.00 175.22 174.75 1isk s THR 83 N -3.87 4.91 -0.22 -4.49 -4.23 0.70 -2.06 115.64 106.38 1isk s THR 83 Ca 0.32 -1.10 -0.04 0.00 -1.18 0.00 0.00 61.69 59.69 1isk s THR 83 Cb 0.07 -3.63 0.08 0.00 1.34 0.00 0.00 72.50 70.36 1isk s THR 83 CO 0.09 -0.28 0.11 0.54 -0.54 0.00 0.00 174.62 174.54 1isk s VAL 84 N -1.98 -0.10 -0.14 2.29 0.11 0.17 -1.35 120.40 119.40 1isk s VAL 84 Ca 0.33 -0.40 -0.12 0.00 -2.93 0.00 0.00 61.98 58.86 1isk s VAL 84 Cb -0.09 -0.74 -0.05 0.00 -1.53 0.00 0.00 36.38 33.97 1isk s VAL 84 CO 0.27 -0.46 0.25 -0.55 -3.33 0.00 0.00 175.10 171.28 1isk s SER 85 N 2.13 6.43 -0.08 3.54 0.15 -0.51 -0.31 113.70 125.05 1isk s SER 85 Ca 0.05 0.50 -0.25 0.00 0.70 0.00 0.00 55.95 56.95 1isk s SER 85 Cb -0.16 -2.15 0.06 0.00 -1.71 0.00 0.00 66.02 62.05 1isk s SER 85 CO -0.21 0.19 0.58 0.72 1.20 0.00 0.00 173.24 175.72 1isk s PHE 86 N 0.04 -0.55 -0.26 3.44 -0.12 -0.45 -0.68 117.98 119.40 1isk s PHE 86 Ca 0.15 1.04 -0.08 0.00 -0.05 0.00 0.00 56.93 58.00 1isk s PHE 86 Cb -0.13 0.29 -0.03 0.00 -0.63 0.00 0.00 43.02 42.53 1isk s PHE 86 CO 0.04 -0.49 0.10 -2.00 -0.05 0.00 0.00 175.22 172.81 1isk s GLU 87 N -0.87 3.63 0.01 1.99 2.12 -1.26 -1.50 118.70 122.81 1isk s GLU 87 Ca -0.09 -0.50 -0.01 0.00 0.36 0.00 0.00 54.97 54.73 1isk s GLU 87 Cb -0.02 -3.41 -0.01 0.00 0.26 0.00 0.00 34.13 30.95 1isk s GLU 87 CO 0.07 -0.23 0.00 -0.47 -0.54 0.00 0.00 175.26 174.09 1isk s TYR 88 N 1.63 0.12 -1.36 5.30 6.14 0.11 -4.88 117.35 124.41 1isk s TYR 88 Ca 0.06 -0.24 -0.03 0.00 0.64 0.00 0.00 57.07 57.50 1isk s TYR 88 Cb -0.16 -0.09 -0.00 0.00 0.42 0.00 0.00 41.96 42.13 1isk s TYR 88 CO 0.05 -0.12 0.48 1.04 0.64 0.00 0.00 175.55 177.64 1isk n GLN 89 N 2.24 -3.13 -3.68 4.97 6.02 -1.26 -0.02 117.38 122.52 1isk n GLN 89 Ca -0.19 0.42 -0.28 0.00 -0.01 0.00 0.00 57.00 56.95 1isk n GLN 89 Cb 0.57 -4.50 -0.01 0.00 1.02 0.00 0.00 30.24 27.32 1isk n GLN 89 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1isk n GLY 90 N -1.92 -0.47 2.98 1.08 0.00 -1.26 -4.93 105.19 100.67 1isk n GLY 90 Ca -0.28 0.10 -0.12 0.00 0.00 0.00 0.00 46.02 45.71 1isk n GLY 90 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1isk s ARG 91 N -6.35 0.12 -0.28 1.61 6.06 0.97 -4.97 118.95 116.13 1isk s ARG 91 Ca 0.53 0.16 -0.11 0.00 -2.50 0.00 0.00 55.73 53.80 1isk s ARG 91 Cb -0.28 0.04 -0.05 0.00 0.06 0.00 0.00 34.95 34.72 1isk s ARG 91 CO 0.65 -0.03 0.21 -1.59 -2.50 0.00 0.00 175.30 172.04 1isk s LYS 92 N 0.13 3.97 0.04 5.12 -2.85 -0.01 0.08 119.74 126.21 1isk s LYS 92 Ca -0.01 -0.27 0.07 0.00 -1.00 0.00 0.00 55.97 54.76 1isk s LYS 92 Cb -0.02 -3.65 -0.02 0.00 -2.06 0.00 0.00 37.83 32.08 1isk s LYS 92 CO -0.00 -0.18 -0.20 0.99 0.10 0.00 0.00 175.35 176.06 1isk s THR 93 N 1.76 1.57 -0.17 3.79 2.01 -0.56 0.25 115.64 124.29 1isk s THR 93 Ca 0.08 -1.15 -0.00 0.00 0.31 0.00 0.00 61.69 60.93 1isk s THR 93 Cb -0.16 -1.37 0.04 0.00 0.01 0.00 0.00 72.50 71.02 1isk s THR 93 CO 0.11 0.18 -0.05 0.54 -0.69 0.00 0.00 174.62 174.71 1isk s VAL 94 N -0.79 1.14 0.47 3.82 0.11 -0.28 -1.34 120.40 123.54 1isk s VAL 94 Ca 0.07 -0.69 0.04 0.00 -2.93 0.00 0.00 61.98 58.46 1isk s VAL 94 Cb -0.09 -1.33 0.02 0.00 -1.53 0.00 0.00 36.38 33.45 1isk s VAL 94 CO 0.02 0.09 0.67 -0.69 -3.33 0.00 0.00 175.10 171.85 1isk s VAL 95 N 1.61 3.12 -0.40 2.04 1.01 0.58 -0.84 120.40 127.53 1isk s VAL 95 Ca -0.00 -0.77 0.09 0.00 0.00 0.00 0.00 61.98 61.30 1isk s VAL 95 Cb -0.16 -3.12 0.28 0.00 0.00 0.00 0.00 36.38 33.39 1isk s VAL 95 CO -0.08 -0.07 0.64 0.00 0.00 0.00 0.00 175.10 175.59 1isk n ALA 96 N -2.08 1.84 -1.54 5.51 0.00 0.14 0.43 120.51 124.81 1isk n ALA 96 Ca 0.06 -3.15 -0.29 0.00 0.00 0.00 0.00 53.44 50.06 1isk n ALA 96 Cb 0.59 -0.90 0.13 0.00 0.00 0.00 0.00 19.45 19.27 1isk n ALA 96 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 1isk s PRO 97 N -1.32 1.19 -0.18 0.00 0.04 -0.87 -4.72 135.00 129.13 1isk s PRO 97 Ca 0.36 0.31 0.01 0.00 0.04 0.00 0.00 61.00 61.72 1isk s PRO 97 Cb 0.23 -1.84 0.03 0.00 0.04 0.00 0.00 34.50 32.96 1isk s PRO 97 CO -0.11 -2.17 -0.16 0.42 0.04 0.00 0.00 177.00 175.02 1isk s ILE 98 N -3.27 1.88 0.19 0.56 1.01 0.66 -1.43 121.20 120.80 1isk s ILE 98 Ca 0.64 -0.92 -0.11 0.00 0.00 0.00 0.00 60.65 60.26 1isk s ILE 98 Cb -0.15 -1.77 -0.07 0.00 0.01 0.00 0.00 42.46 40.48 1isk s ILE 98 CO 0.53 0.43 0.53 -1.81 0.00 0.00 0.00 174.94 174.62 1isk s ASP 99 N 1.34 6.67 -0.06 3.58 1.11 0.11 0.32 116.67 129.74 1isk s ASP 99 Ca 0.03 0.94 -0.03 0.00 0.18 0.00 0.00 52.55 53.67 1isk s ASP 99 Cb -0.14 -2.23 0.04 0.00 1.07 0.00 0.00 42.92 41.66 1isk s ASP 99 CO -0.11 -0.01 0.08 -2.28 1.18 0.00 0.00 175.17 174.03 1isk s HIS 100 N -1.69 0.04 -0.08 4.23 5.65 0.14 -0.35 115.29 123.22 1isk s HIS 100 Ca 0.44 0.24 -0.01 0.00 0.25 0.00 0.00 55.06 55.98 1isk s HIS 100 Cb -0.12 -0.47 -0.03 0.00 -1.18 0.00 0.00 32.58 30.77 1isk s HIS 100 CO 0.21 -0.24 -0.01 -0.06 -0.65 0.00 0.00 174.74 173.98 1isk s PHE 101 N 2.19 3.12 -0.32 3.88 0.08 0.83 -0.79 117.98 126.96 1isk s PHE 101 Ca 0.04 0.16 0.02 0.00 0.12 0.00 0.00 56.93 57.27 1isk s PHE 101 Cb -0.13 -1.77 0.10 0.00 -0.57 0.00 0.00 43.02 40.65 1isk s PHE 101 CO -0.04 0.44 0.07 0.50 -0.10 0.00 0.00 175.22 176.10 1isk s ARG 102 N -0.87 1.09 0.42 0.44 3.52 -0.43 -0.50 118.95 122.63 1isk s ARG 102 Ca 0.13 -1.47 -0.24 0.00 -0.13 0.00 0.00 55.73 54.03 1isk s ARG 102 Cb -0.11 -2.59 -0.08 0.00 -1.56 0.00 0.00 34.95 30.61 1isk s ARG 102 CO 0.02 -0.96 1.11 -0.06 -0.81 0.00 0.00 175.30 174.60 1isk s PHE 103 N 1.26 3.08 0.00 5.12 0.08 0.14 -3.47 117.98 124.20 1isk s PHE 103 Ca 0.10 1.59 0.00 0.00 0.12 0.00 0.00 56.93 58.74 1isk s PHE 103 Cb -0.18 -3.25 0.00 0.00 -0.57 0.00 0.00 43.02 39.01 1isk s PHE 103 CO -0.17 -1.05 0.00 0.09 -0.10 0.00 0.00 175.22 173.99 1isk n ASN 104 N -0.24 0.00 0.00 1.36 4.13 -0.20 -4.85 115.26 115.46 1isk n ASN 104 Ca 0.06 -0.09 0.00 0.00 1.68 0.00 0.00 54.58 56.23 1isk n ASN 104 Cb 0.49 0.00 0.00 0.00 -1.54 0.00 0.00 39.78 38.73 1isk n ASN 104 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1isk n GLY 105 N 0.00 3.05 1.94 7.41 0.00 -1.26 -0.39 105.19 115.95 1isk n GLY 105 Ca 0.00 -0.34 -0.19 0.00 0.00 0.00 0.00 46.02 45.49 1isk n GLY 105 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1isk n ALA 106 N 9.18 4.93 0.00 4.61 0.00 -1.26 -4.74 120.51 133.23 1isk n ALA 106 Ca 0.00 -2.21 0.00 0.00 0.00 0.00 0.00 53.44 51.23 1isk n ALA 106 Cb 0.00 -1.36 0.00 0.00 0.00 0.00 0.00 19.45 18.09 1isk n ALA 106 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1isk n GLY 107 N -0.68 0.90 3.48 0.00 0.00 -0.71 -5.13 105.19 103.05 1isk n GLY 107 Ca 0.45 -0.82 -0.13 0.00 0.00 0.00 0.00 46.02 45.51 1isk n GLY 107 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1isk s LYS 108 N -2.00 0.67 -0.03 1.61 -2.85 0.48 -4.96 119.74 112.66 1isk s LYS 108 Ca 0.00 0.81 -0.30 0.00 -1.00 0.00 0.00 55.97 55.48 1isk s LYS 108 Cb 0.00 0.31 -0.06 0.00 -2.06 0.00 0.00 37.83 36.02 1isk s LYS 108 CO 0.00 -0.08 1.69 0.08 0.10 0.00 0.00 175.35 177.14 1isk s VAL 109 N 0.36 3.46 0.00 1.79 1.01 -1.26 -1.03 120.40 124.73 1isk s VAL 109 Ca -0.00 0.60 0.00 0.00 0.00 0.00 0.00 61.98 62.58 1isk s VAL 109 Cb -0.04 -3.39 0.00 0.00 0.00 0.00 0.00 36.38 32.95 1isk s VAL 109 CO -0.00 -0.05 0.55 0.52 0.00 0.00 0.00 175.10 176.13 1isk n VAL 110 N 5.39 0.30 -3.64 2.92 0.31 -1.25 -0.04 118.33 122.32 1isk n VAL 110 Ca 0.17 -0.46 -0.07 0.00 -0.01 0.00 0.00 64.34 63.98 1isk n VAL 110 Cb 0.42 1.05 -0.07 0.00 -0.91 0.00 0.00 33.84 34.33 1isk n VAL 110 CO 0.00 0.00 0.00 -0.44 -1.32 0.00 0.00 176.83 175.07 1isk s SER 111 N -0.30 -0.94 -0.05 4.52 0.01 -1.23 -1.18 113.70 114.53 1isk s SER 111 Ca 0.00 1.51 -0.07 0.00 1.31 0.00 0.00 55.95 58.69 1isk s SER 111 Cb 0.00 1.38 0.01 0.00 0.21 0.00 0.00 66.02 67.62 1isk s SER 111 CO 0.00 -0.24 0.19 0.00 0.41 0.00 0.00 173.24 173.60 1isk s MET 112 N 1.63 0.32 -0.04 12.44 0.23 -0.31 -1.32 119.30 132.25 1isk s MET 112 Ca -0.10 0.08 -0.13 0.00 -1.03 0.00 0.00 55.69 54.51 1isk s MET 112 Cb -0.05 0.14 0.02 0.00 -1.53 0.00 0.00 34.83 33.42 1isk s MET 112 CO -0.20 -0.06 0.30 0.50 -2.03 0.00 0.00 175.02 173.53 1isk s ARG 113 N -0.34 0.56 0.53 3.16 3.52 0.03 0.51 118.95 126.92 1isk s ARG 113 Ca -0.04 -0.03 0.03 0.00 -0.13 0.00 0.00 55.73 55.55 1isk s ARG 113 Cb -0.03 0.25 0.01 0.00 -1.56 0.00 0.00 34.95 33.62 1isk s ARG 113 CO 0.01 -0.14 0.16 0.00 -0.81 0.00 0.00 175.30 174.52 1isk s ALA 114 N -0.90 4.27 -0.22 6.12 0.00 0.17 0.27 121.76 131.47 1isk s ALA 114 Ca -0.10 -0.66 -0.04 0.00 0.00 0.00 0.00 51.96 51.16 1isk s ALA 114 Cb -0.05 -0.27 0.12 0.00 0.00 0.00 0.00 23.12 22.92 1isk s ALA 114 CO 0.03 -0.19 0.38 -0.51 0.00 0.00 0.00 175.76 175.47 1isk s LEU 115 N -4.04 -0.60 -0.12 0.00 1.02 0.15 -3.51 118.68 111.57 1isk s LEU 115 Ca 0.16 0.45 0.02 0.00 0.02 0.00 0.00 54.13 54.77 1isk s LEU 115 Cb -0.00 1.13 0.02 0.00 0.02 0.00 0.00 46.19 47.36 1isk s LEU 115 CO 0.10 -0.28 -0.16 0.72 0.02 0.00 0.00 176.35 176.75 1isk s PHE 116 N 2.55 2.14 0.40 0.29 -0.71 -1.26 -0.25 117.98 121.14 1isk s PHE 116 Ca 0.08 -1.07 0.02 0.00 -1.04 0.00 0.00 56.93 54.92 1isk s PHE 116 Cb -0.14 -1.53 0.08 0.00 -1.21 0.00 0.00 43.02 40.21 1isk s PHE 116 CO -0.14 -0.55 0.55 0.41 -1.34 0.00 0.00 175.22 174.15 1isk n GLY 117 N 4.31 1.10 0.84 1.99 0.00 -1.26 -5.00 105.19 107.16 1isk n GLY 117 Ca -0.19 -2.06 0.10 0.00 0.00 0.00 0.00 46.02 43.87 1isk n GLY 117 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1isk n GLU 118 N -1.97 1.91 -0.10 1.61 1.02 -1.26 -4.12 120.64 117.73 1isk n GLU 118 Ca 0.10 -1.82 0.04 0.00 -0.02 0.00 0.00 57.16 55.45 1isk n GLU 118 Cb 0.35 -1.39 0.09 0.00 -0.02 0.00 0.00 31.44 30.47 1isk n GLU 118 CO 0.00 0.00 0.00 0.36 1.18 0.00 0.00 177.13 178.67 1isk n LYS 119 N 1.12 2.71 -0.58 3.49 -0.00 -1.26 -4.49 118.16 119.14 1isk n LYS 119 Ca 0.13 -1.94 0.02 0.00 -0.00 0.00 0.00 58.31 56.52 1isk n LYS 119 Cb 0.50 -1.23 0.21 0.00 -0.00 0.00 0.00 35.03 34.50 1isk n LYS 119 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.40 177.49 1isk n ASN 120 N -0.35 2.66 -4.21 -5.58 3.02 -1.26 -4.97 115.26 104.57 1isk n ASN 120 Ca 0.08 -3.52 -0.28 0.00 -0.03 0.00 0.00 54.58 50.82 1isk n ASN 120 Cb 0.42 -0.57 -0.16 0.00 -0.61 0.00 0.00 39.78 38.86 1isk n ASN 120 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 1isk s ILE 121 N -3.10 1.69 -0.32 2.41 1.09 -1.26 0.27 121.20 121.98 1isk s ILE 121 Ca 0.41 -0.89 0.00 0.00 -1.10 0.00 0.00 60.65 59.07 1isk s ILE 121 Cb 0.37 -1.42 0.10 0.00 -1.06 0.00 0.00 42.46 40.45 1isk s ILE 121 CO 0.01 0.48 0.09 -1.00 -0.10 0.00 0.00 174.94 174.42 1isk s HIS 122 N -0.30 2.07 0.44 3.97 3.76 -0.02 -4.96 115.29 120.25 1isk s HIS 122 Ca 0.03 -1.97 -0.09 0.00 -0.15 0.00 0.00 55.06 52.87 1isk s HIS 122 Cb -0.10 -1.93 -0.06 0.00 1.11 0.00 0.00 32.58 31.60 1isk s HIS 122 CO 0.01 -0.89 0.80 0.00 -0.85 0.00 0.00 174.74 173.81 1isk s ALA 123 N 1.47 3.34 0.10 -1.40 0.00 -1.26 -1.12 121.76 122.88 1isk s ALA 123 Ca 0.10 -0.26 -0.26 0.00 0.00 0.00 0.00 51.96 51.54 1isk s ALA 123 Cb -0.18 -2.71 0.09 0.00 0.00 0.00 0.00 23.12 20.32 1isk s ALA 123 CO -0.22 -0.16 1.10 0.20 0.00 0.00 0.00 175.76 176.68 1isk s GLY 124 N -3.48 -0.20 0.00 0.00 0.00 0.14 -4.95 107.32 98.83 1isk s GLY 124 Ca 0.51 0.18 0.00 0.00 0.00 0.00 0.00 44.72 45.40 1isk s GLY 124 CO 0.37 1.01 0.00 0.00 0.00 0.00 0.00 173.10 174.48