#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1isk s ASN 2 N 0.00 3.89 0.04 3.17 3.84 -1.26 -5.15 114.94 119.47 1isk s ASN 2 Ca 0.00 -1.70 -0.04 0.00 0.21 0.00 0.00 52.86 51.33 1isk s ASN 2 Cb 0.00 0.63 -0.02 0.00 -0.55 0.00 0.00 41.25 41.32 1isk s ASN 2 CO 0.00 -0.92 0.05 0.28 -2.79 0.00 0.00 177.10 173.72 1isk s THR 3 N -2.96 0.14 0.16 -5.21 -1.32 -1.26 -5.02 115.64 100.18 1isk s THR 3 Ca 0.06 -1.19 0.12 0.00 -1.21 0.00 0.00 61.69 59.48 1isk s THR 3 Cb 0.01 -0.89 -0.02 0.00 -1.51 0.00 0.00 72.50 70.09 1isk s THR 3 CO 0.04 -0.65 1.54 1.55 -2.21 0.00 0.00 174.62 174.89 1isk h PRO 4 N 3.75 0.00 -0.19 7.08 0.13 -1.98 -1.42 132.00 139.38 1isk h PRO 4 Ca -0.33 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.79 1isk h PRO 4 Cb 1.18 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.30 1isk h PRO 4 CO 0.51 0.64 0.07 0.93 -0.23 0.00 0.00 178.00 179.92 1isk h GLU 5 N 0.00 0.28 -0.12 0.86 4.39 -1.98 0.16 114.58 118.18 1isk h GLU 5 Ca -0.01 -0.05 -0.10 0.00 0.34 0.00 0.00 59.36 59.54 1isk h GLU 5 Cb 1.24 -0.04 0.00 0.00 -0.10 0.00 0.00 28.75 29.85 1isk h GLU 5 CO 0.08 0.36 -0.32 0.45 -1.16 0.00 0.00 179.01 178.42 1isk h HIS 6 N 0.14 0.55 -0.16 4.33 3.86 -1.98 -1.29 115.15 120.61 1isk h HIS 6 Ca 0.06 -0.22 0.05 0.00 -1.16 0.00 0.00 60.37 59.10 1isk h HIS 6 Cb 0.19 -0.10 -0.05 0.00 1.06 0.00 0.00 27.41 28.51 1isk h HIS 6 CO -0.01 0.94 -0.15 0.52 0.86 0.00 0.00 177.93 180.09 1isk h MET 7 N 0.00 -0.17 0.02 2.45 2.86 -1.19 0.17 114.93 119.07 1isk h MET 7 Ca -0.01 0.01 -0.00 0.00 -2.06 0.00 0.00 59.70 57.64 1isk h MET 7 Cb 0.94 0.04 0.00 0.00 0.06 0.00 0.00 31.60 32.64 1isk h MET 7 CO 0.07 -0.11 -0.01 1.15 1.06 0.00 0.00 176.91 179.07 1isk h THR 8 N -0.17 1.09 -0.84 2.22 2.02 -0.72 -1.21 112.91 115.31 1isk h THR 8 Ca 0.10 -0.33 0.18 0.00 0.77 0.00 0.00 66.41 67.13 1isk h THR 8 Cb 0.32 1.31 -0.11 0.00 -1.74 0.00 0.00 68.15 67.94 1isk h THR 8 CO -0.26 0.08 0.37 0.00 0.37 0.00 0.00 175.52 176.08 1isk h ALA 9 N 0.82 1.27 0.07 6.16 0.00 -0.85 0.21 119.26 126.94 1isk h ALA 9 Ca -0.00 0.13 -0.00 0.00 0.00 0.00 0.00 54.91 55.03 1isk h ALA 9 Cb 0.15 0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.04 1isk h ALA 9 CO 0.00 -0.24 -0.04 0.28 0.00 0.00 0.00 179.25 179.26 1isk h VAL 10 N 0.47 0.99 -0.99 0.00 2.07 -0.31 -1.12 116.25 117.36 1isk h VAL 10 Ca 0.49 -0.20 0.17 0.00 0.82 0.00 0.00 66.70 67.98 1isk h VAL 10 Cb 0.82 1.12 -0.09 0.00 -1.52 0.00 0.00 31.29 31.61 1isk h VAL 10 CO -0.45 0.05 0.62 0.58 0.02 0.00 0.00 177.57 178.38 1isk h VAL 11 N -0.19 0.77 0.44 2.57 2.07 0.34 0.25 116.25 122.51 1isk h VAL 11 Ca -0.01 -0.27 -0.02 0.00 0.82 0.00 0.00 66.70 67.22 1isk h VAL 11 Cb 0.16 -0.09 0.00 0.00 -1.52 0.00 0.00 31.29 29.84 1isk h VAL 11 CO 0.02 0.14 -0.21 -0.61 0.02 0.00 0.00 177.57 176.93 1isk h GLN 12 N 0.79 -0.57 -0.95 1.57 4.15 -0.09 -1.08 115.11 118.93 1isk h GLN 12 Ca 0.54 0.04 0.08 0.00 0.77 0.00 0.00 58.65 60.08 1isk h GLN 12 Cb 0.80 0.13 -0.07 0.00 0.21 0.00 0.00 27.48 28.55 1isk h GLN 12 CO -0.32 -0.33 0.62 -0.09 -1.93 0.00 0.00 178.83 176.78 1isk h ARG 13 N -0.69 1.01 -0.02 1.69 2.43 -0.00 -1.29 114.38 117.52 1isk h ARG 13 Ca -0.06 -0.06 0.01 0.00 -0.81 0.00 0.00 59.98 59.06 1isk h ARG 13 Cb 0.50 -0.23 -0.01 0.00 -0.42 0.00 0.00 29.97 29.82 1isk h ARG 13 CO 0.10 0.67 -0.02 -0.92 -1.51 0.00 0.00 179.97 178.29 1isk h TYR 14 N 1.04 -0.05 0.30 2.20 5.03 -0.27 0.16 116.97 125.38 1isk h TYR 14 Ca 0.43 0.00 0.00 0.00 2.58 0.00 0.00 58.73 61.74 1isk h TYR 14 Cb 0.29 0.02 -0.02 0.00 1.55 0.00 0.00 36.73 38.58 1isk h TYR 14 CO -0.00 -0.03 -0.31 0.28 -1.32 0.00 0.00 178.16 176.78 1isk h VAL 15 N -0.03 0.36 -0.40 1.81 2.07 -0.46 0.42 116.25 120.01 1isk h VAL 15 Ca 0.01 0.00 0.08 0.00 0.82 0.00 0.00 66.70 67.62 1isk h VAL 15 Cb 0.05 0.36 -0.09 0.00 -1.52 0.00 0.00 31.29 30.09 1isk h VAL 15 CO -0.03 0.00 -0.19 0.00 0.02 0.00 0.00 177.57 177.37 1isk h ALA 16 N -0.08 0.12 0.00 1.67 0.00 -1.10 0.89 119.26 120.77 1isk h ALA 16 Ca -0.01 0.15 -0.00 0.00 0.00 0.00 0.00 54.91 55.04 1isk h ALA 16 Cb 0.59 0.46 -0.00 0.00 0.00 0.00 0.00 17.79 18.83 1isk h ALA 16 CO -0.07 -0.55 -0.01 0.00 0.00 0.00 0.00 179.25 178.63 1isk h ALA 17 N 1.18 1.65 0.14 0.00 0.00 -0.19 -0.56 119.26 121.49 1isk h ALA 17 Ca 0.20 -0.00 -0.01 0.00 0.00 0.00 0.00 54.91 55.10 1isk h ALA 17 Cb 0.41 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.21 1isk h ALA 17 CO -0.48 0.01 -0.07 1.25 0.00 0.00 0.00 179.25 179.96 1isk h LEU 18 N 0.00 -0.16 -1.46 0.00 5.85 0.52 -0.93 115.31 119.12 1isk h LEU 18 Ca -0.00 -0.38 0.11 0.00 0.84 0.00 0.00 57.88 58.45 1isk h LEU 18 Cb 0.01 0.04 -0.05 0.00 0.37 0.00 0.00 40.66 41.03 1isk h LEU 18 CO 0.00 0.36 0.49 -1.13 -0.34 0.00 0.00 178.44 177.83 1isk h ASN 19 N -0.77 0.53 0.45 1.25 -0.73 0.26 0.41 115.58 116.97 1isk h ASN 19 Ca -0.02 0.02 -0.11 0.00 1.87 0.00 0.00 56.30 58.06 1isk h ASN 19 Cb 0.53 -0.09 -0.01 0.00 0.27 0.00 0.00 38.32 39.02 1isk h ASN 19 CO 0.03 0.30 -0.51 0.00 -0.37 0.00 0.00 177.43 176.88 1isk h ALA 20 N 1.63 1.10 -1.65 1.57 0.00 -1.06 -3.47 119.26 117.38 1isk h ALA 20 Ca 0.35 -0.47 0.00 0.00 0.00 0.00 0.00 54.91 54.79 1isk h ALA 20 Cb 0.59 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.29 1isk h ALA 20 CO -0.13 0.65 0.00 0.41 0.00 0.00 0.00 179.25 180.18 1isk n GLY 21 N -0.03 0.59 3.17 0.00 0.00 0.14 -5.02 105.19 104.04 1isk n GLY 21 Ca -0.02 -0.51 -0.40 0.00 0.00 0.00 0.00 46.02 45.10 1isk n GLY 21 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 1isk s ASP 22 N -2.92 5.93 0.05 1.61 1.47 -0.55 -4.90 116.67 117.35 1isk s ASP 22 Ca 0.00 -3.07 -0.26 0.00 1.18 0.00 0.00 52.55 50.40 1isk s ASP 22 Cb 0.00 -1.98 -0.17 0.00 -0.34 0.00 0.00 42.92 40.43 1isk s ASP 22 CO 0.00 -0.37 1.50 -0.07 0.68 0.00 0.00 175.17 176.91 1isk h LEU 23 N 6.96 -0.27 -0.76 2.11 3.38 -1.96 0.76 115.31 125.53 1isk h LEU 23 Ca 0.07 -0.11 0.18 0.00 0.09 0.00 0.00 57.88 58.10 1isk h LEU 23 Cb 0.94 0.07 -0.13 0.00 0.09 0.00 0.00 40.66 41.63 1isk h LEU 23 CO 0.77 -0.05 0.06 -0.78 0.09 0.00 0.00 178.44 178.53 1isk h ASP 24 N -0.49 -0.24 0.77 -0.43 -0.00 -1.99 0.20 116.42 114.23 1isk h ASP 24 Ca -0.03 0.19 -0.04 0.00 -0.00 0.00 0.00 57.03 57.15 1isk h ASP 24 Cb 0.37 0.31 0.01 0.00 -0.00 0.00 0.00 39.33 40.01 1isk h ASP 24 CO 0.05 -0.15 -0.37 1.23 -0.00 0.00 0.00 179.24 180.00 1isk h GLY 25 N 0.14 -1.07 -0.77 -0.78 0.00 -1.91 -0.85 103.07 97.83 1isk h GLY 25 Ca 0.43 0.40 0.37 0.00 0.00 0.00 0.00 47.33 48.53 1isk h GLY 25 CO -0.63 -0.39 0.57 -2.22 0.00 0.00 0.00 176.54 173.86 1isk h ILE 26 N -1.20 0.15 -0.06 2.60 2.04 0.02 1.30 117.51 122.36 1isk h ILE 26 Ca -0.11 -0.05 -0.01 0.00 1.00 0.00 0.00 64.86 65.69 1isk h ILE 26 Cb 0.79 -0.02 -0.00 0.00 -0.74 0.00 0.00 36.82 36.84 1isk h ILE 26 CO 0.17 0.03 0.00 0.58 0.00 0.00 0.00 178.15 178.93 1isk h VAL 27 N 0.16 1.24 0.00 1.67 2.07 -0.42 -1.84 116.25 119.13 1isk h VAL 27 Ca 0.79 -0.76 0.00 0.00 0.82 0.00 0.00 66.70 67.56 1isk h VAL 27 Cb 1.99 1.63 0.00 0.00 -1.52 0.00 0.00 31.29 33.39 1isk h VAL 27 CO -0.68 0.21 0.00 0.00 0.02 0.00 0.00 177.57 177.12 1isk n ALA 28 N -2.27 1.31 -0.12 1.67 0.00 0.40 -1.75 120.51 119.75 1isk n ALA 28 Ca -0.07 0.07 -0.10 0.00 0.00 0.00 0.00 53.44 53.34 1isk n ALA 28 Cb 0.18 -1.24 -0.02 0.00 0.00 0.00 0.00 19.45 18.37 1isk n ALA 28 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 1isk h LEU 29 N 0.00 0.60 0.00 0.00 6.46 0.86 -3.45 115.31 119.77 1isk h LEU 29 Ca 0.00 -0.29 -0.40 0.00 -0.12 0.00 0.00 57.88 57.07 1isk h LEU 29 Cb 0.14 -0.16 -0.06 0.00 -0.73 0.00 0.00 40.66 39.85 1isk h LEU 29 CO 0.00 0.74 -0.25 2.22 -0.62 0.00 0.00 178.44 180.53 1isk n PHE 30 N -4.52 0.06 -0.71 1.25 1.16 -0.72 -4.87 117.46 109.11 1isk n PHE 30 Ca -0.02 -1.53 -0.29 0.00 -1.87 0.00 0.00 57.45 53.74 1isk n PHE 30 Cb 0.26 -0.24 0.13 0.00 -1.61 0.00 0.00 39.48 38.02 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 -2.10 -3.45 0.90 1.98 0.00 0.21 -4.90 120.51 113.15 1isk n ALA 31 Ca -0.12 -1.23 0.10 0.00 0.00 0.00 0.00 53.44 52.19 1isk n ALA 31 Cb 0.40 -1.15 -0.12 0.00 0.00 0.00 0.00 19.45 18.57 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 -0.32 0.90 0.00 0.00 10.43 -1.26 -4.11 116.55 122.19 1isk n ASP 32 Ca 0.01 -0.90 0.00 0.00 2.57 0.00 0.00 54.79 56.47 1isk n ASP 32 Cb 0.57 1.10 0.00 0.00 1.84 0.00 0.00 41.12 44.63 1isk n ASP 32 CO 0.00 0.00 0.00 -0.67 -1.07 0.00 0.00 177.20 175.46 1isk n ASP 33 N -1.58 1.84 -4.39 -2.24 4.64 -1.26 0.81 116.55 114.38 1isk n ASP 33 Ca 0.03 -1.90 -0.33 0.00 -1.38 0.00 0.00 54.79 51.21 1isk n ASP 33 Cb 0.35 0.00 0.13 0.00 -1.04 0.00 0.00 41.12 40.57 1isk n ASP 33 CO 0.00 0.00 0.00 0.00 -0.82 0.00 0.00 177.20 176.38 1isk n ALA 34 N -0.45 -2.93 -3.91 -1.67 0.00 -1.26 -3.44 120.51 106.85 1isk n ALA 34 Ca 0.00 -0.77 -0.33 0.00 0.00 0.00 0.00 53.44 52.34 1isk n ALA 34 Cb 0.25 -1.74 -0.15 0.00 0.00 0.00 0.00 19.45 17.81 1isk n ALA 34 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 1isk s THR 35 N -2.36 2.50 -0.08 0.00 2.01 -0.01 -1.36 115.64 116.33 1isk s THR 35 Ca 0.57 -1.12 -0.00 0.00 0.31 0.00 0.00 61.69 61.45 1isk s THR 35 Cb -0.19 -2.25 -0.03 0.00 0.01 0.00 0.00 72.50 70.04 1isk s THR 35 CO 0.67 0.25 -0.04 -0.69 -0.69 0.00 0.00 174.62 174.12 1isk s VAL 36 N 1.27 3.92 -0.15 3.82 1.01 0.11 -0.86 120.40 129.51 1isk s VAL 36 Ca -0.00 -0.40 -0.04 0.00 0.00 0.00 0.00 61.98 61.54 1isk s VAL 36 Cb -0.16 -2.62 0.05 0.00 0.00 0.00 0.00 36.38 33.65 1isk s VAL 36 CO -0.07 0.60 0.06 -1.83 0.00 0.00 0.00 175.10 173.86 1isk s GLU 37 N -0.81 0.28 -0.21 2.72 4.04 -0.47 0.44 118.70 124.70 1isk s GLU 37 Ca 0.12 -0.11 -0.19 0.00 0.04 0.00 0.00 54.97 54.83 1isk s GLU 37 Cb -0.11 -1.68 0.05 0.00 0.02 0.00 0.00 34.13 32.41 1isk s GLU 37 CO 0.02 -0.59 0.55 0.34 -1.84 0.00 0.00 175.26 173.74 1isk s ASP 38 N 2.04 -0.57 0.00 0.83 3.68 -1.26 -1.38 116.67 120.00 1isk s ASP 38 Ca 0.02 1.10 0.00 0.00 2.13 0.00 0.00 52.55 55.80 1isk s ASP 38 Cb -0.15 1.12 0.00 0.00 -1.45 0.00 0.00 42.92 42.43 1isk s ASP 38 CO -0.08 -0.19 0.11 -0.81 0.13 0.00 0.00 175.17 174.34 1isk n PRO 39 N 2.78 0.00 -3.61 4.34 -0.04 -1.26 -5.07 135.00 132.15 1isk n PRO 39 Ca -0.14 0.00 -0.15 0.00 -0.04 0.00 0.00 63.50 63.17 1isk n PRO 39 Cb 0.56 -0.58 -0.06 0.00 -0.04 0.00 0.00 33.50 33.38 1isk n PRO 39 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 1isk s VAL 40 N -0.22 0.03 0.00 0.52 1.01 -1.26 -4.19 120.40 116.28 1isk s VAL 40 Ca 0.00 -0.23 0.00 0.00 0.00 0.00 0.00 61.98 61.75 1isk s VAL 40 Cb 0.00 -0.89 0.00 0.00 0.00 0.00 0.00 36.38 35.49 1isk s VAL 40 CO 0.00 -0.13 0.00 0.61 0.00 0.00 0.00 175.10 175.58 1isk n GLY 41 N 0.81 0.07 0.00 4.51 0.00 -1.26 -5.01 105.19 104.31 1isk n GLY 41 Ca -0.19 0.22 0.00 0.00 0.00 0.00 0.00 46.02 46.05 1isk n GLY 41 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1isk n SER 42 N 0.00 0.00 -2.71 1.61 7.64 -1.26 -5.13 113.62 113.77 1isk n SER 42 Ca 0.00 0.00 -0.03 0.00 1.01 0.00 0.00 58.87 59.85 1isk n SER 42 Cb 0.00 0.00 0.03 0.00 -1.01 0.00 0.00 64.21 63.23 1isk n SER 42 CO 0.00 0.00 0.00 -0.70 -3.01 0.00 0.00 175.04 171.33 1isk s GLU 43 N 0.00 0.43 1.05 1.43 2.56 -1.26 -5.17 118.70 117.74 1isk s GLU 43 Ca 0.00 -0.40 -0.17 0.00 0.00 0.00 0.00 54.97 54.40 1isk s GLU 43 Cb 0.00 -0.01 0.22 0.00 2.00 0.00 0.00 34.13 36.34 1isk s GLU 43 CO 0.00 -0.53 1.21 -1.25 -0.56 0.00 0.00 175.26 174.12 1isk s PRO 44 N 1.04 -0.03 -0.22 4.30 0.04 -1.26 -4.67 135.00 134.19 1isk s PRO 44 Ca 0.24 -0.16 -0.04 0.00 0.04 0.00 0.00 61.00 61.09 1isk s PRO 44 Cb 0.09 -1.74 0.09 0.00 0.04 0.00 0.00 34.50 32.97 1isk s PRO 44 CO -0.10 -2.90 0.17 1.03 0.04 0.00 0.00 177.00 175.24 1isk s ARG 45 N -5.60 0.17 -0.19 4.56 0.52 0.17 -4.96 118.95 113.63 1isk s ARG 45 Ca 0.71 -0.06 -0.08 0.00 -0.52 0.00 0.00 55.73 55.78 1isk s ARG 45 Cb -0.08 -1.33 -0.04 0.00 0.52 0.00 0.00 34.95 34.02 1isk s ARG 45 CO 0.54 -0.77 0.07 -1.54 0.02 0.00 0.00 175.30 173.62 1isk s SER 46 N 2.23 5.67 0.00 0.23 1.04 -1.26 0.04 113.70 121.65 1isk s SER 46 Ca 0.06 0.08 0.00 0.00 0.48 0.00 0.00 55.95 56.57 1isk s SER 46 Cb -0.16 -1.98 0.00 0.00 0.10 0.00 0.00 66.02 63.99 1isk s SER 46 CO -0.18 0.17 0.00 0.61 0.98 0.00 0.00 173.24 174.81 1isk n GLY 47 N 3.60 2.79 0.66 7.32 0.00 -0.46 -4.52 105.19 114.58 1isk n GLY 47 Ca -0.16 -1.19 0.46 0.00 0.00 0.00 0.00 46.02 45.13 1isk n GLY 47 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1isk h THR 48 N 0.00 0.01 0.25 2.61 1.03 0.16 1.39 112.91 118.37 1isk h THR 48 Ca 0.00 0.00 -0.01 0.00 -0.01 0.00 0.00 66.41 66.39 1isk h THR 48 Cb 0.00 0.01 0.00 0.00 -1.07 0.00 0.00 68.15 67.10 1isk h THR 48 CO 0.00 0.00 -0.12 0.00 -0.01 0.00 0.00 175.52 175.39 1isk h ALA 49 N 0.88 -0.34 -0.28 0.00 0.00 -1.88 0.20 119.26 117.84 1isk h ALA 49 Ca 0.81 -0.13 -0.13 0.00 0.00 0.00 0.00 54.91 55.45 1isk h ALA 49 Cb 3.52 0.13 -0.01 0.00 0.00 0.00 0.00 17.79 21.43 1isk h ALA 49 CO -0.01 -0.60 -0.37 0.00 0.00 0.00 0.00 179.25 178.27 1isk h ALA 50 N 0.20 0.84 -0.13 0.00 0.00 0.15 -1.30 119.26 119.01 1isk h ALA 50 Ca -0.03 -0.43 0.02 0.00 0.00 0.00 0.00 54.91 54.47 1isk h ALA 50 Cb 0.38 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.03 1isk h ALA 50 CO 0.06 0.64 -0.01 0.82 0.00 0.00 0.00 179.25 180.75 1isk h ILE 51 N 0.53 0.90 -0.18 0.00 2.04 -0.50 -0.79 117.51 119.50 1isk h ILE 51 Ca 0.05 -0.01 -0.01 0.00 1.00 0.00 0.00 64.86 65.90 1isk h ILE 51 Cb 0.88 0.87 -0.01 0.00 -0.74 0.00 0.00 36.82 37.82 1isk h ILE 51 CO 0.08 0.00 0.08 0.03 0.00 0.00 0.00 178.15 178.34 1isk h ARG 52 N 0.02 0.26 -0.83 2.37 3.08 -0.49 -0.84 114.38 117.96 1isk h ARG 52 Ca 0.06 -0.04 0.19 0.00 0.07 0.00 0.00 59.98 60.25 1isk h ARG 52 Cb 0.08 -0.05 -0.11 0.00 0.08 0.00 0.00 29.97 29.97 1isk h ARG 52 CO -0.11 0.31 0.31 0.93 -1.07 0.00 0.00 179.97 180.34 1isk h GLU 53 N 0.15 0.37 0.06 0.04 4.39 -0.86 0.42 114.58 119.15 1isk h GLU 53 Ca 0.06 -0.02 -0.00 0.00 0.34 0.00 0.00 59.36 59.74 1isk h GLU 53 Cb 0.14 -0.08 0.00 0.00 -0.10 0.00 0.00 28.75 28.71 1isk h GLU 53 CO -0.01 0.24 -0.03 0.35 -1.16 0.00 0.00 179.01 178.41 1isk h PHE 54 N 0.38 -0.07 -1.05 4.33 3.57 -0.81 -1.38 116.94 121.91 1isk h PHE 54 Ca 0.49 -0.00 0.30 0.00 3.53 0.00 0.00 57.97 62.29 1isk h PHE 54 Cb 0.87 0.02 -0.04 0.00 2.79 0.00 0.00 35.95 39.59 1isk h PHE 54 CO -0.18 -0.05 1.02 1.88 -2.23 0.00 0.00 178.31 178.75 1isk h TYR 55 N -0.13 0.00 0.19 0.41 0.05 -0.95 0.42 116.97 116.95 1isk h TYR 55 Ca -0.01 0.00 -0.01 0.00 0.05 0.00 0.00 58.73 58.76 1isk h TYR 55 Cb 0.06 0.00 0.00 0.00 1.01 0.00 0.00 36.73 37.80 1isk h TYR 55 CO 0.11 0.00 -0.09 0.00 -1.05 0.00 0.00 178.16 177.13 1isk h ALA 56 N 0.94 -0.26 0.00 3.88 0.00 -0.13 -1.44 119.26 122.25 1isk h ALA 56 Ca 0.50 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 55.26 1isk h ALA 56 Cb 2.53 0.10 0.00 0.00 0.00 0.00 0.00 17.79 20.42 1isk h ALA 56 CO -0.01 -0.27 0.16 -0.97 0.00 0.00 0.00 179.25 178.17 1isk h ASN 57 N -1.01 0.00 0.00 0.00 -1.24 0.85 0.17 115.58 114.35 1isk h ASN 57 Ca -0.03 0.00 0.00 0.00 0.71 0.00 0.00 56.30 56.98 1isk h ASN 57 Cb 0.38 0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.43 1isk h ASN 57 CO 0.04 0.00 -0.00 -1.28 -1.29 0.00 0.00 177.43 174.90 1isk h SER 58 N 0.00 0.00 0.00 1.15 0.87 -0.71 -3.29 113.55 111.56 1isk h SER 58 Ca 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.56 1isk h SER 58 Cb 0.32 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.28 1isk h SER 58 CO 0.00 0.38 0.10 -0.07 -0.53 0.00 0.00 176.83 176.70 1isk h LEU 59 N -0.75 0.00 -1.72 2.23 4.07 -0.65 -0.73 115.31 117.77 1isk h LEU 59 Ca 0.00 0.00 0.11 0.00 0.08 0.00 0.00 57.88 58.07 1isk h LEU 59 Cb 0.00 0.00 -0.02 0.00 1.08 0.00 0.00 40.66 41.73 1isk h LEU 59 CO 0.00 0.00 0.58 0.50 -1.08 0.00 0.00 178.44 178.44 1isk h LYS 60 N 0.00 0.00 -5.70 1.13 1.63 -0.75 -3.37 116.57 109.51 1isk h LYS 60 Ca 0.00 0.00 -0.59 0.00 -0.85 0.00 0.00 60.65 59.21 1isk h LYS 60 Cb 0.19 0.00 -0.09 0.00 -0.60 0.00 0.00 32.23 31.73 1isk h LYS 60 CO 0.00 0.00 0.22 -1.17 -3.45 0.00 0.00 179.45 175.05 1isk s LEU 61 N -6.73 4.13 -0.76 5.20 2.96 -0.28 -4.99 118.68 118.20 1isk s LEU 61 Ca -0.04 0.90 -0.26 0.00 -0.22 0.00 0.00 54.13 54.52 1isk s LEU 61 Cb 0.13 -2.99 0.00 0.00 0.50 0.00 0.00 46.19 43.84 1isk s LEU 61 CO 0.44 -0.34 1.60 -2.16 -1.32 0.00 0.00 176.35 174.56 1isk s PRO 62 N 2.18 2.96 0.34 0.98 0.04 -1.26 -4.89 135.00 135.35 1isk s PRO 62 Ca 0.31 -0.07 -0.09 0.00 0.04 0.00 0.00 61.00 61.19 1isk s PRO 62 Cb -0.16 -4.54 0.03 0.00 0.04 0.00 0.00 34.50 29.87 1isk s PRO 62 CO 0.10 -2.53 0.60 1.47 0.04 0.00 0.00 177.00 176.68 1isk n LEU 63 N 11.14 0.00 -4.34 -3.56 -0.00 -1.26 -4.58 117.00 114.40 1isk n LEU 63 Ca 0.18 -2.44 -0.28 0.00 -0.00 0.00 0.00 56.01 53.47 1isk n LEU 63 Cb 0.50 2.99 -0.14 0.00 -0.00 0.00 0.00 43.42 46.77 1isk n LEU 63 CO 0.69 -0.70 -0.56 0.00 -0.00 0.00 0.00 177.39 176.82 1isk s ALA 64 N -2.26 2.18 -0.02 1.47 0.00 0.58 -5.00 121.76 118.72 1isk s ALA 64 Ca 0.19 -1.31 0.06 0.00 0.00 0.00 0.00 51.96 50.90 1isk s ALA 64 Cb -0.03 -0.39 -0.01 0.00 0.00 0.00 0.00 23.12 22.68 1isk s ALA 64 CO 0.14 0.50 -0.20 0.08 0.00 0.00 0.00 175.76 176.28 1isk s VAL 65 N -0.94 1.58 -0.04 0.00 1.01 -1.26 0.54 120.40 121.27 1isk s VAL 65 Ca 0.11 -0.85 -0.26 0.00 0.00 0.00 0.00 61.98 60.98 1isk s VAL 65 Cb -0.10 -1.31 0.06 0.00 0.00 0.00 0.00 36.38 35.02 1isk s VAL 65 CO 0.04 0.45 0.57 -0.70 0.00 0.00 0.00 175.10 175.46 1isk s GLU 66 N -0.41 0.94 0.87 2.72 2.12 -0.57 -4.92 118.70 119.45 1isk s GLU 66 Ca 0.06 0.14 -0.10 0.00 0.36 0.00 0.00 54.97 55.44 1isk s GLU 66 Cb -0.08 0.44 0.18 0.00 0.26 0.00 0.00 34.13 34.92 1isk s GLU 66 CO -0.00 -0.28 1.20 -0.51 -0.54 0.00 0.00 175.26 175.12 1isk s LEU 67 N -1.21 2.83 0.00 2.70 1.43 -1.26 -0.98 118.68 122.19 1isk s LEU 67 Ca -0.12 -0.04 0.00 0.00 -1.03 0.00 0.00 54.13 52.95 1isk s LEU 67 Cb -0.02 -2.10 0.00 0.00 0.03 0.00 0.00 46.19 44.11 1isk s LEU 67 CO 0.08 -2.42 0.00 1.07 0.23 0.00 0.00 176.35 175.31 1isk n THR 68 N -3.40 0.00 0.00 5.49 5.66 -1.26 -4.74 114.28 116.02 1isk n THR 68 Ca 0.16 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.16 1isk n THR 68 Cb 0.60 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 69.38 1isk n THR 68 CO 0.00 0.00 0.00 1.67 -3.05 0.00 0.00 175.07 173.69 1isk n GLN 69 N 0.00 0.00 -3.91 1.09 0.00 -1.25 -5.10 117.38 108.21 1isk n GLN 69 Ca 0.00 0.08 0.00 0.00 -0.00 0.00 0.00 57.00 57.08 1isk n GLN 69 Cb 0.00 -0.71 0.00 0.00 0.00 0.00 0.00 30.24 29.53 1isk n GLN 69 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.06 177.45 1isk n GLU 70 N -0.73 -2.66 -4.31 3.69 -0.58 -1.19 -5.04 120.64 109.82 1isk n GLU 70 Ca 0.00 0.00 -0.22 0.00 -0.42 0.00 0.00 57.16 56.52 1isk n GLU 70 Cb 0.00 0.00 -0.13 0.00 -0.57 0.00 0.00 31.44 30.74 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 -2.62 1.40 -0.52 2.62 1.01 -1.26 -1.57 120.40 119.46 1isk s VAL 71 Ca 0.00 -1.32 0.03 0.00 0.00 0.00 0.00 61.98 60.69 1isk s VAL 71 Cb 0.00 -1.29 0.14 0.00 0.00 0.00 0.00 36.38 35.24 1isk s VAL 71 CO 0.00 -0.07 0.31 -0.60 0.00 0.00 0.00 175.10 174.74 1isk s ARG 72 N -1.61 1.74 -0.11 2.72 6.06 0.11 -4.90 118.95 122.95 1isk s ARG 72 Ca 0.03 -2.51 -0.24 0.00 -2.50 0.00 0.00 55.73 50.51 1isk s ARG 72 Cb -0.09 -2.83 -0.03 0.00 0.06 0.00 0.00 34.95 32.06 1isk s ARG 72 CO 0.03 -1.19 0.75 0.00 -2.50 0.00 0.00 175.30 172.39 1isk s ALA 73 N -0.28 3.41 0.00 6.12 0.00 -1.26 -0.17 121.76 129.58 1isk s ALA 73 Ca 0.20 0.08 0.00 0.00 0.00 0.00 0.00 51.96 52.24 1isk s ALA 73 Cb -0.19 -3.07 0.00 0.00 0.00 0.00 0.00 23.12 19.87 1isk s ALA 73 CO -0.05 -0.34 0.00 1.55 0.00 0.00 0.00 175.76 176.92 1isk n VAL 74 N 4.20 0.00 -3.73 0.00 3.14 0.78 -4.81 118.33 117.91 1isk n VAL 74 Ca 0.01 0.00 -0.26 0.00 -2.96 0.00 0.00 64.34 61.13 1isk n VAL 74 Cb 0.50 0.00 0.03 0.00 -1.06 0.00 0.00 33.84 33.31 1isk n VAL 74 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 1isk n ALA 75 N -0.00 -2.27 -2.60 1.55 0.00 -1.26 0.21 120.51 116.14 1isk n ALA 75 Ca 0.00 -0.21 -0.03 0.00 0.00 0.00 0.00 53.44 53.21 1isk n ALA 75 Cb 0.00 -3.00 -0.01 0.00 0.00 0.00 0.00 19.45 16.44 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 -2.89 -1.04 -3.75 0.00 3.02 -1.26 -4.83 115.26 104.51 1isk n ASN 76 Ca -0.20 0.38 -0.15 0.00 -0.03 0.00 0.00 54.58 54.58 1isk n ASN 76 Cb 0.64 -1.02 -0.15 0.00 -0.61 0.00 0.00 39.78 38.64 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 -5.06 0.02 -0.45 3.52 2.02 0.13 -0.64 118.70 118.25 1isk s GLU 77 Ca 0.05 0.31 -0.15 0.00 0.02 0.00 0.00 54.97 55.20 1isk s GLU 77 Cb -0.03 -0.23 0.06 0.00 0.10 0.00 0.00 34.13 34.02 1isk s GLU 77 CO 0.07 -0.19 0.36 0.00 0.02 0.00 0.00 175.26 175.53 1isk s ALA 78 N 1.26 3.53 -0.43 5.21 0.00 0.48 -0.16 121.76 131.65 1isk s ALA 78 Ca -0.08 -2.00 -0.05 0.00 0.00 0.00 0.00 51.96 49.84 1isk s ALA 78 Cb -0.12 -3.01 0.11 0.00 0.00 0.00 0.00 23.12 20.10 1isk s ALA 78 CO -0.05 -1.65 0.25 0.00 0.00 0.00 0.00 175.76 174.32 1isk s ALA 79 N 1.65 3.23 0.27 0.00 0.00 0.76 -0.10 121.76 127.58 1isk s ALA 79 Ca 0.04 -2.50 0.11 0.00 0.00 0.00 0.00 51.96 49.61 1isk s ALA 79 Cb -0.23 -2.55 -0.05 0.00 0.00 0.00 0.00 23.12 20.29 1isk s ALA 79 CO 0.08 -1.82 -0.15 -0.59 0.00 0.00 0.00 175.76 173.28 1isk s PHE 80 N 1.23 2.40 -0.03 0.00 -0.71 -0.19 0.04 117.98 120.72 1isk s PHE 80 Ca 0.07 -0.30 0.06 0.00 -1.04 0.00 0.00 56.93 55.72 1isk s PHE 80 Cb -0.24 -1.05 -0.01 0.00 -1.21 0.00 0.00 43.02 40.51 1isk s PHE 80 CO -0.03 0.68 -0.21 0.00 -1.34 0.00 0.00 175.22 174.33 1isk s ALA 81 N -2.42 1.79 0.21 1.99 0.00 -0.61 -1.15 121.76 121.58 1isk s ALA 81 Ca 0.30 -0.89 0.04 0.00 0.00 0.00 0.00 51.96 51.41 1isk s ALA 81 Cb -0.06 -0.50 -0.02 0.00 0.00 0.00 0.00 23.12 22.55 1isk s ALA 81 CO 0.16 0.40 0.19 1.97 0.00 0.00 0.00 175.76 178.48 1isk n PHE 82 N 2.74 -0.57 -4.52 0.00 -1.74 -0.66 -3.16 117.46 109.55 1isk n PHE 82 Ca -0.16 -1.78 -0.25 0.00 -0.56 0.00 0.00 57.45 54.70 1isk n PHE 82 Cb 0.53 0.20 -0.10 0.00 1.52 0.00 0.00 39.48 41.63 1isk n PHE 82 CO 0.00 0.00 0.00 0.95 -0.56 0.00 0.00 176.76 177.15 1isk s THR 83 N -2.85 2.21 -0.11 1.97 -4.23 -0.15 -2.69 115.64 109.79 1isk s THR 83 Ca 0.25 -2.22 -0.04 0.00 -1.18 0.00 0.00 61.69 58.49 1isk s THR 83 Cb 0.01 -2.58 0.05 0.00 1.34 0.00 0.00 72.50 71.33 1isk s THR 83 CO 0.18 -0.24 0.23 0.68 -0.54 0.00 0.00 174.62 174.93 1isk s VAL 84 N -2.64 -0.27 -0.38 2.29 -7.23 0.23 -1.52 120.40 110.89 1isk s VAL 84 Ca 0.32 0.26 -0.17 0.00 -1.81 0.00 0.00 61.98 60.57 1isk s VAL 84 Cb 0.02 -0.38 0.01 0.00 0.56 0.00 0.00 36.38 36.58 1isk s VAL 84 CO 0.16 0.11 0.46 -0.44 -0.31 0.00 0.00 175.10 175.07 1isk s SER 85 N 2.02 6.23 -0.04 4.85 0.01 0.19 -0.97 113.70 125.99 1isk s SER 85 Ca -0.02 -0.36 -0.03 0.00 1.31 0.00 0.00 55.95 56.85 1isk s SER 85 Cb -0.12 -2.24 0.02 0.00 0.21 0.00 0.00 66.02 63.89 1isk s SER 85 CO -0.08 -0.51 0.09 0.72 0.41 0.00 0.00 173.24 173.87 1isk s PHE 86 N 2.24 -0.10 -0.12 2.43 -0.71 0.13 -0.31 117.98 121.55 1isk s PHE 86 Ca 0.15 0.27 0.01 0.00 -1.04 0.00 0.00 56.93 56.32 1isk s PHE 86 Cb -0.16 -0.01 -0.01 0.00 -1.21 0.00 0.00 43.02 41.63 1isk s PHE 86 CO 0.14 -0.07 -0.17 -2.00 -1.34 0.00 0.00 175.22 171.77 1isk s GLU 87 N 0.31 3.25 0.38 1.99 2.12 -1.26 -0.20 118.70 125.28 1isk s GLU 87 Ca -0.02 -0.76 0.08 0.00 0.36 0.00 0.00 54.97 54.63 1isk s GLU 87 Cb -0.03 -2.51 -0.02 0.00 0.26 0.00 0.00 34.13 31.83 1isk s GLU 87 CO -0.01 0.21 0.35 -0.47 -0.54 0.00 0.00 175.26 174.80 1isk s TYR 88 N 0.33 2.82 -0.45 5.30 5.04 0.33 -4.96 117.35 125.76 1isk s TYR 88 Ca -0.14 -0.39 -0.27 0.00 -2.44 0.00 0.00 57.07 53.83 1isk s TYR 88 Cb -0.17 -2.00 -0.28 0.00 0.35 0.00 0.00 41.96 39.87 1isk s TYR 88 CO 0.07 0.01 1.78 0.00 -1.34 0.00 0.00 175.55 176.07 1isk n GLN 89 N -1.48 0.55 0.00 4.97 -0.00 -1.26 -1.16 117.38 118.99 1isk n GLN 89 Ca 0.01 -1.44 0.00 0.00 -0.00 0.00 0.00 57.00 55.57 1isk n GLN 89 Cb 0.60 -2.90 0.00 0.00 -0.00 0.00 0.00 30.24 27.94 1isk n GLN 89 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 1isk n GLY 90 N 5.08 0.31 0.00 2.61 0.00 -1.26 -5.15 105.19 106.78 1isk n GLY 90 Ca 0.47 -0.01 0.00 0.00 0.00 0.00 0.00 46.02 46.47 1isk n GLY 90 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 1isk n ARG 91 N 0.00 -3.30 -2.99 1.61 1.85 -0.31 -5.14 116.66 108.38 1isk n ARG 91 Ca 0.00 0.00 -0.26 0.00 -1.00 0.00 0.00 57.85 56.59 1isk n ARG 91 Cb 0.00 0.00 -0.01 0.00 -1.05 0.00 0.00 32.46 31.40 1isk n ARG 91 CO 0.00 0.00 0.00 0.21 -0.01 0.00 0.00 177.63 177.83 1isk s LYS 92 N -1.93 3.53 -0.16 2.89 2.20 0.14 -0.51 119.74 125.90 1isk s LYS 92 Ca 0.00 -0.03 -0.24 0.00 -0.36 0.00 0.00 55.97 55.34 1isk s LYS 92 Cb 0.00 -2.51 0.06 0.00 -1.51 0.00 0.00 37.83 33.87 1isk s LYS 92 CO 0.00 -0.03 0.62 0.99 -0.36 0.00 0.00 175.35 176.56 1isk s THR 93 N -2.52 0.01 -0.19 3.43 2.01 0.71 0.39 115.64 119.47 1isk s THR 93 Ca 0.44 -0.05 0.00 0.00 0.31 0.00 0.00 61.69 62.40 1isk s THR 93 Cb -0.10 -0.89 0.05 0.00 0.01 0.00 0.00 72.50 71.57 1isk s THR 93 CO 0.40 -0.02 -0.07 0.54 -0.69 0.00 0.00 174.62 174.78 1isk s VAL 94 N -0.29 1.39 0.26 3.82 0.11 -0.07 -0.69 120.40 124.92 1isk s VAL 94 Ca -0.05 -0.89 0.02 0.00 -2.93 0.00 0.00 61.98 58.13 1isk s VAL 94 Cb -0.03 -1.55 -0.03 0.00 -1.53 0.00 0.00 36.38 33.23 1isk s VAL 94 CO 0.04 0.09 0.42 -0.69 -3.33 0.00 0.00 175.10 171.64 1isk s VAL 95 N 1.50 5.20 -0.55 2.04 1.01 -0.14 -0.34 120.40 129.11 1isk s VAL 95 Ca -0.01 -0.64 0.06 0.00 0.00 0.00 0.00 61.98 61.38 1isk s VAL 95 Cb -0.16 -3.82 0.20 0.00 0.00 0.00 0.00 36.38 32.60 1isk s VAL 95 CO -0.08 -0.35 0.52 0.00 0.00 0.00 0.00 175.10 175.19 1isk n ALA 96 N -1.29 3.23 -1.54 5.51 0.00 0.46 0.78 120.51 127.66 1isk n ALA 96 Ca -0.06 -3.98 -0.29 0.00 0.00 0.00 0.00 53.44 49.11 1isk n ALA 96 Cb 0.56 -0.88 0.13 0.00 0.00 0.00 0.00 19.45 19.26 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 -1.24 1.25 0.01 0.00 0.04 -1.09 -4.74 135.00 129.22 1isk s PRO 97 Ca 0.33 0.33 0.02 0.00 0.04 0.00 0.00 61.00 61.71 1isk s PRO 97 Cb 0.07 -1.85 -0.01 0.00 0.04 0.00 0.00 34.50 32.75 1isk s PRO 97 CO -0.13 -2.13 -0.05 0.42 0.04 0.00 0.00 177.00 175.15 1isk s ILE 98 N -3.27 0.40 -0.10 0.56 1.01 0.12 -1.65 121.20 118.27 1isk s ILE 98 Ca 0.63 -0.37 0.03 0.00 0.00 0.00 0.00 60.65 60.94 1isk s ILE 98 Cb -0.15 -0.37 -0.01 0.00 0.01 0.00 0.00 42.46 41.95 1isk s ILE 98 CO 0.53 0.01 -0.21 -1.81 0.00 0.00 0.00 174.94 173.46 1isk s ASP 99 N -0.40 3.33 -0.65 3.58 -0.00 -0.30 -0.38 116.67 121.85 1isk s ASP 99 Ca -0.01 -0.49 0.05 0.00 -0.00 0.00 0.00 52.55 52.11 1isk s ASP 99 Cb -0.03 -1.33 0.16 0.00 -0.00 0.00 0.00 42.92 41.72 1isk s ASP 99 CO -0.00 0.18 0.43 -2.28 -0.00 0.00 0.00 175.17 173.50 1isk s HIS 100 N 0.21 3.40 0.49 4.23 2.46 0.11 -1.02 115.29 125.16 1isk s HIS 100 Ca -0.13 -3.27 -0.22 0.00 0.47 0.00 0.00 55.06 51.91 1isk s HIS 100 Cb -0.16 -2.69 -0.07 0.00 -0.13 0.00 0.00 32.58 29.53 1isk s HIS 100 CO 0.07 -0.60 1.19 -0.06 -2.47 0.00 0.00 174.74 172.86 1isk s PHE 101 N -1.11 2.76 -0.31 3.88 0.40 0.86 -0.91 117.98 123.55 1isk s PHE 101 Ca 0.23 1.52 0.03 0.00 -0.60 0.00 0.00 56.93 58.11 1isk s PHE 101 Cb -0.10 -3.42 0.09 0.00 0.51 0.00 0.00 43.02 40.09 1isk s PHE 101 CO -0.12 -1.72 0.01 0.50 0.70 0.00 0.00 175.22 174.60 1isk s ARG 102 N -2.83 1.58 -0.19 0.44 3.52 0.14 -0.39 118.95 121.23 1isk s ARG 102 Ca 0.66 -1.65 -0.19 0.00 -0.13 0.00 0.00 55.73 54.43 1isk s ARG 102 Cb -0.29 -3.00 -0.03 0.00 -1.56 0.00 0.00 34.95 30.06 1isk s ARG 102 CO 0.35 -0.85 0.53 -0.06 -0.81 0.00 0.00 175.30 174.47 1isk s PHE 103 N 1.03 3.39 0.00 5.12 0.08 0.19 -1.26 117.98 126.53 1isk s PHE 103 Ca 0.06 0.81 0.00 0.00 0.12 0.00 0.00 56.93 57.92 1isk s PHE 103 Cb -0.19 -2.68 0.00 0.00 -0.57 0.00 0.00 43.02 39.58 1isk s PHE 103 CO -0.09 -0.08 0.00 0.09 -0.10 0.00 0.00 175.22 175.04 1isk n ASN 104 N 4.71 0.00 0.00 1.36 5.03 -0.58 -4.73 115.26 121.04 1isk n ASN 104 Ca -0.04 0.00 0.00 0.00 0.87 0.00 0.00 54.58 55.41 1isk n ASN 104 Cb 0.50 0.00 0.00 0.00 -1.02 0.00 0.00 39.78 39.26 1isk n ASN 104 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1isk n GLY 105 N 0.00 0.54 0.43 7.41 0.00 -1.25 0.74 105.19 113.06 1isk n GLY 105 Ca 0.00 -0.23 0.25 0.00 0.00 0.00 0.00 46.02 46.03 1isk n GLY 105 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1isk h ALA 106 N 0.00 2.67 0.00 4.61 0.00 -1.94 -3.41 119.26 121.20 1isk h ALA 106 Ca 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.89 1isk h ALA 106 Cb 0.00 0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.84 1isk h ALA 106 CO 0.00 -0.89 0.00 0.41 0.00 0.00 0.00 179.25 178.77 1isk n GLY 107 N -1.67 -0.56 1.81 0.00 0.00 0.23 -5.16 105.19 99.84 1isk n GLY 107 Ca 0.15 0.71 0.00 0.00 0.00 0.00 0.00 46.02 46.88 1isk n GLY 107 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1isk n LYS 108 N 0.00 0.00 -1.56 1.61 5.02 0.15 -4.81 118.16 118.57 1isk n LYS 108 Ca 0.00 0.00 -0.64 0.00 -2.02 0.00 0.00 58.31 55.65 1isk n LYS 108 Cb 0.00 0.00 -0.10 0.00 -0.02 0.00 0.00 35.03 34.91 1isk n LYS 108 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 1isk n VAL 109 N -0.11 0.03 -1.14 -0.18 0.31 -1.26 -1.53 118.33 114.45 1isk n VAL 109 Ca 0.00 -0.01 0.01 0.00 -0.01 0.00 0.00 64.34 64.32 1isk n VAL 109 Cb 0.00 -0.58 0.01 0.00 -0.91 0.00 0.00 33.84 32.36 1isk n VAL 109 CO 0.00 0.00 0.00 0.52 -1.32 0.00 0.00 176.83 176.03 1isk n VAL 110 N 5.02 0.23 -3.59 2.52 0.31 -0.39 0.68 118.33 123.11 1isk n VAL 110 Ca 0.39 -0.25 -0.05 0.00 -0.01 0.00 0.00 64.34 64.43 1isk n VAL 110 Cb -0.03 0.74 -0.02 0.00 -0.91 0.00 0.00 33.84 33.62 1isk n VAL 110 CO 0.00 0.00 0.00 -0.55 -1.32 0.00 0.00 176.83 174.96 1isk s SER 111 N -0.55 -0.16 -0.29 4.52 0.15 -1.20 -0.83 113.70 115.32 1isk s SER 111 Ca 0.02 -0.01 -0.15 0.00 0.70 0.00 0.00 55.95 56.51 1isk s SER 111 Cb 0.02 0.18 0.14 0.00 -1.71 0.00 0.00 66.02 64.65 1isk s SER 111 CO 0.00 -0.30 0.88 0.00 1.20 0.00 0.00 173.24 175.03 1isk s MET 112 N -2.53 0.43 -0.21 5.44 0.23 -0.04 0.28 119.30 122.90 1isk s MET 112 Ca 0.09 0.90 -0.03 0.00 -1.03 0.00 0.00 55.69 55.62 1isk s MET 112 Cb -0.01 0.35 -0.01 0.00 -1.53 0.00 0.00 34.83 33.63 1isk s MET 112 CO -0.05 -0.12 -0.05 1.03 -2.03 0.00 0.00 175.02 173.80 1isk s ARG 113 N 2.03 3.38 0.29 3.16 0.52 -0.08 -1.36 118.95 126.88 1isk s ARG 113 Ca -0.06 -0.63 0.05 0.00 -0.52 0.00 0.00 55.73 54.57 1isk s ARG 113 Cb -0.06 -2.97 -0.02 0.00 0.52 0.00 0.00 34.95 32.42 1isk s ARG 113 CO -0.17 -0.16 0.42 0.00 0.02 0.00 0.00 175.30 175.41 1isk s ALA 114 N 1.37 4.04 -0.25 2.13 0.00 -0.48 0.09 121.76 128.66 1isk s ALA 114 Ca 0.04 -1.30 -0.09 0.00 0.00 0.00 0.00 51.96 50.61 1isk s ALA 114 Cb -0.14 -1.74 0.11 0.00 0.00 0.00 0.00 23.12 21.35 1isk s ALA 114 CO -0.03 0.10 0.54 -0.51 0.00 0.00 0.00 175.76 175.86 1isk s LEU 115 N -4.09 -0.87 0.32 0.00 1.02 0.49 -4.40 118.68 111.15 1isk s LEU 115 Ca 0.39 1.29 -0.19 0.00 0.02 0.00 0.00 54.13 55.64 1isk s LEU 115 Cb -0.09 1.85 0.03 0.00 0.02 0.00 0.00 46.19 48.00 1isk s LEU 115 CO 0.30 -0.23 0.75 0.72 0.02 0.00 0.00 176.35 177.92 1isk s PHE 116 N 2.63 -0.07 0.00 0.29 -0.12 -1.26 0.11 117.98 119.56 1isk s PHE 116 Ca -0.05 -0.48 0.00 0.00 -0.05 0.00 0.00 56.93 56.36 1isk s PHE 116 Cb -0.11 0.76 0.00 0.00 -0.63 0.00 0.00 43.02 43.04 1isk s PHE 116 CO -0.16 -1.36 0.00 0.41 -0.05 0.00 0.00 175.22 174.06 1isk n GLY 117 N -0.49 -1.34 3.04 1.99 0.00 -1.26 -4.88 105.19 102.25 1isk n GLY 117 Ca -0.06 -1.55 -0.09 0.00 0.00 0.00 0.00 46.02 44.32 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 -1.26 -1.79 0.00 1.61 1.02 -1.26 -2.97 120.64 116.00 1isk n GLU 118 Ca 0.00 0.98 0.00 0.00 -0.02 0.00 0.00 57.16 58.12 1isk n GLU 118 Cb 0.00 -5.43 0.00 0.00 -0.02 0.00 0.00 31.44 25.99 1isk n GLU 118 CO 0.00 0.00 0.00 1.17 1.18 0.00 0.00 177.13 179.48 1isk n LYS 119 N -2.65 0.00 0.00 3.49 0.00 -1.26 -4.83 118.16 112.91 1isk n LYS 119 Ca -0.04 0.00 0.07 0.00 0.00 0.00 0.00 58.31 58.33 1isk n LYS 119 Cb 0.58 -0.11 0.30 0.00 0.00 0.00 0.00 35.03 35.80 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 0.06 0.00 -4.86 3.14 5.03 -1.16 -4.62 115.26 112.85 1isk n ASN 120 Ca 0.00 0.43 -0.37 0.00 0.87 0.00 0.00 54.58 55.51 1isk n ASN 120 Cb 0.00 -0.47 -0.06 0.00 -1.02 0.00 0.00 39.78 38.23 1isk n ASN 120 CO 0.00 0.00 0.00 -0.63 -1.83 0.00 0.00 177.26 174.80 1isk s ILE 121 N -2.93 5.42 -0.36 2.41 1.09 -1.26 -0.40 121.20 125.16 1isk s ILE 121 Ca 0.08 0.33 0.00 0.00 -1.10 0.00 0.00 60.65 59.96 1isk s ILE 121 Cb 0.09 -3.46 0.13 0.00 -1.06 0.00 0.00 42.46 38.15 1isk s ILE 121 CO 0.24 0.60 0.19 -1.00 -0.10 0.00 0.00 174.94 174.88 1isk s HIS 122 N -0.96 1.26 1.00 3.97 3.76 0.54 -4.97 115.29 119.88 1isk s HIS 122 Ca 0.16 -1.81 -0.15 0.00 -0.15 0.00 0.00 55.06 53.12 1isk s HIS 122 Cb -0.13 -1.37 0.13 0.00 1.11 0.00 0.00 32.58 32.32 1isk s HIS 122 CO 0.05 -0.82 0.14 0.00 -0.85 0.00 0.00 174.74 173.26 1isk n ALA 123 N 4.18 -1.33 0.00 -1.40 0.00 -1.26 -0.90 120.51 119.79 1isk n ALA 123 Ca 0.06 -1.05 0.00 0.00 0.00 0.00 0.00 53.44 52.45 1isk n ALA 123 Cb 0.38 -0.93 0.00 0.00 0.00 0.00 0.00 19.45 18.90 1isk n ALA 123 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1isk n GLY 124 N 2.47 0.64 2.03 0.00 0.00 0.16 -4.56 105.19 105.93 1isk n GLY 124 Ca 0.04 -1.04 0.00 0.00 0.00 0.00 0.00 46.02 45.02 1isk n GLY 124 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32