#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 -7.89 -4.20 7.83 5.03 -1.26 -3.85 115.26 110.92 1isk n ASN 2 Ca 0.00 1.15 -0.18 0.00 0.87 0.00 0.00 54.58 56.41 1isk n ASN 2 Cb 0.00 -4.66 -0.12 0.00 -1.02 0.00 0.00 39.78 33.98 1isk n ASN 2 CO 0.00 0.00 0.00 0.28 -1.83 0.00 0.00 177.26 175.71 1isk s THR 3 N -3.74 1.23 0.15 3.41 -1.32 -1.26 -4.86 115.64 109.25 1isk s THR 3 Ca 0.00 -1.48 -0.02 0.00 -1.21 0.00 0.00 61.69 58.99 1isk s THR 3 Cb 0.00 -1.28 -0.14 0.00 -1.51 0.00 0.00 72.50 69.57 1isk s THR 3 CO 0.00 -0.29 1.37 1.55 -2.21 0.00 0.00 174.62 175.04 1isk h PRO 4 N 3.99 0.37 -0.85 7.08 0.13 -1.93 -1.52 132.00 139.25 1isk h PRO 4 Ca -0.41 -0.35 0.06 0.00 -0.87 0.00 0.00 66.00 64.43 1isk h PRO 4 Cb 1.19 0.09 -0.06 0.00 0.13 0.00 0.00 31.00 32.35 1isk h PRO 4 CO 0.44 1.02 0.53 0.93 -0.23 0.00 0.00 178.00 180.69 1isk h GLU 5 N 0.22 0.93 0.05 0.86 5.08 -1.96 0.26 114.58 120.03 1isk h GLU 5 Ca -0.05 -0.06 -0.00 0.00 -1.00 0.00 0.00 59.36 58.25 1isk h GLU 5 Cb 1.45 -0.21 0.00 0.00 0.50 0.00 0.00 28.75 30.49 1isk h GLU 5 CO 0.14 0.62 -0.02 0.45 -1.00 0.00 0.00 179.01 179.19 1isk h HIS 6 N 0.96 -0.06 -0.92 4.33 3.86 -1.98 -1.18 115.15 120.17 1isk h HIS 6 Ca 0.37 -0.00 0.23 0.00 -1.16 0.00 0.00 60.37 59.81 1isk h HIS 6 Cb 0.18 0.02 -0.13 0.00 1.06 0.00 0.00 27.41 28.54 1isk h HIS 6 CO -0.03 0.54 0.43 0.52 0.86 0.00 0.00 177.93 180.24 1isk h MET 7 N -0.90 0.40 0.06 2.45 2.86 -1.07 0.34 114.93 119.07 1isk h MET 7 Ca -0.01 -0.02 -0.00 0.00 -2.06 0.00 0.00 59.70 57.61 1isk h MET 7 Cb 0.63 -0.09 0.00 0.00 0.06 0.00 0.00 31.60 32.20 1isk h MET 7 CO 0.01 0.27 -0.03 1.15 1.06 0.00 0.00 176.91 179.37 1isk h THR 8 N 0.42 1.27 -1.04 2.22 2.02 -0.56 -1.33 112.91 115.91 1isk h THR 8 Ca 0.58 -1.43 0.27 0.00 0.77 0.00 0.00 66.41 66.60 1isk h THR 8 Cb 1.12 2.17 -0.10 0.00 -1.74 0.00 0.00 68.15 69.60 1isk h THR 8 CO -0.53 0.34 0.66 0.00 0.37 0.00 0.00 175.52 176.36 1isk h ALA 9 N 0.07 2.17 0.08 6.16 0.00 0.04 0.41 119.26 128.19 1isk h ALA 9 Ca -0.01 0.07 -0.00 0.00 0.00 0.00 0.00 54.91 54.97 1isk h ALA 9 Cb 0.62 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.44 1isk h ALA 9 CO 0.01 -0.59 -0.04 0.28 0.00 0.00 0.00 179.25 178.92 1isk h VAL 10 N 0.42 1.19 -0.97 0.00 2.07 -0.36 -1.43 116.25 117.17 1isk h VAL 10 Ca 0.61 -1.28 0.23 0.00 0.82 0.00 0.00 66.70 67.08 1isk h VAL 10 Cb 1.48 1.98 -0.08 0.00 -1.52 0.00 0.00 31.29 33.15 1isk h VAL 10 CO -0.33 0.30 0.64 0.58 0.02 0.00 0.00 177.57 178.78 1isk h VAL 11 N -0.72 0.61 0.21 2.57 2.07 0.37 0.41 116.25 121.78 1isk h VAL 11 Ca -0.01 -0.13 -0.01 0.00 0.82 0.00 0.00 66.70 67.36 1isk h VAL 11 Cb 0.57 0.19 0.00 0.00 -1.52 0.00 0.00 31.29 30.53 1isk h VAL 11 CO 0.02 0.07 -0.10 -0.61 0.02 0.00 0.00 177.57 176.97 1isk h GLN 12 N 0.39 -0.28 -0.58 1.57 5.75 -0.23 -1.36 115.11 120.37 1isk h GLN 12 Ca 0.52 0.02 0.17 0.00 -0.15 0.00 0.00 58.65 59.21 1isk h GLN 12 Cb 1.33 0.06 -0.02 0.00 1.07 0.00 0.00 27.48 29.92 1isk h GLN 12 CO -0.21 -0.19 0.67 -0.09 -2.65 0.00 0.00 178.83 176.36 1isk h ARG 13 N -0.51 0.00 0.21 1.69 1.12 -0.67 0.01 114.38 116.23 1isk h ARG 13 Ca -0.03 0.00 -0.01 0.00 -1.11 0.00 0.00 59.98 58.83 1isk h ARG 13 Cb 0.22 0.00 0.00 0.00 -0.01 0.00 0.00 29.97 30.18 1isk h ARG 13 CO 0.05 0.00 -0.10 -0.92 -3.11 0.00 0.00 179.97 175.89 1isk h TYR 14 N 0.00 -0.26 -0.70 2.20 5.03 -0.16 -1.20 116.97 121.88 1isk h TYR 14 Ca 0.28 -0.01 0.15 0.00 2.58 0.00 0.00 58.73 61.73 1isk h TYR 14 Cb 1.61 0.09 -0.11 0.00 1.55 0.00 0.00 36.73 39.87 1isk h TYR 14 CO 0.00 0.03 0.14 0.28 -1.32 0.00 0.00 178.16 177.29 1isk h VAL 15 N -1.00 0.52 0.63 1.81 2.07 0.14 0.32 116.25 120.75 1isk h VAL 15 Ca -0.03 -0.08 -0.03 0.00 0.82 0.00 0.00 66.70 67.38 1isk h VAL 15 Cb 0.41 0.26 0.01 0.00 -1.52 0.00 0.00 31.29 30.44 1isk h VAL 15 CO 0.05 0.04 -0.30 0.00 0.02 0.00 0.00 177.57 177.38 1isk h ALA 16 N 1.59 -1.17 -1.18 1.67 0.00 -1.33 -0.81 119.26 118.04 1isk h ALA 16 Ca 0.39 -0.19 0.40 0.00 0.00 0.00 0.00 54.91 55.51 1isk h ALA 16 Cb 0.65 0.33 -0.14 0.00 0.00 0.00 0.00 17.79 18.63 1isk h ALA 16 CO -0.50 -1.10 0.72 0.00 0.00 0.00 0.00 179.25 178.36 1isk h ALA 17 N -1.57 2.43 0.32 0.00 0.00 -0.50 0.95 119.26 120.90 1isk h ALA 17 Ca -0.09 0.16 -0.02 0.00 0.00 0.00 0.00 54.91 54.97 1isk h ALA 17 Cb 0.65 0.21 0.00 0.00 0.00 0.00 0.00 17.79 18.66 1isk h ALA 17 CO 0.14 -1.08 -0.15 1.25 0.00 0.00 0.00 179.25 179.41 1isk h LEU 18 N 0.13 -0.36 -2.28 0.00 5.85 0.08 0.34 115.31 119.07 1isk h LEU 18 Ca 0.80 -0.09 0.00 0.00 0.84 0.00 0.00 57.88 59.43 1isk h LEU 18 Cb 2.27 0.09 0.00 0.00 0.37 0.00 0.00 40.66 43.39 1isk h LEU 18 CO -0.52 -0.13 0.00 -1.13 -0.34 0.00 0.00 178.44 176.31 1isk h ASN 19 N -0.59 0.00 0.85 1.25 -0.00 0.22 0.34 115.58 117.65 1isk h ASN 19 Ca -0.04 0.00 -0.13 0.00 -0.00 0.00 0.00 56.30 56.13 1isk h ASN 19 Cb 0.43 0.00 -0.02 0.00 -0.00 0.00 0.00 38.32 38.73 1isk h ASN 19 CO 0.07 0.00 -1.23 0.00 -0.00 0.00 0.00 177.43 176.27 1isk h ALA 20 N 2.01 0.63 -1.62 1.57 0.00 0.53 -3.49 119.26 118.89 1isk h ALA 20 Ca 0.00 -0.62 -0.04 0.00 0.00 0.00 0.00 54.91 54.25 1isk h ALA 20 Cb 0.03 0.19 0.01 0.00 0.00 0.00 0.00 17.79 18.03 1isk h ALA 20 CO 0.00 0.69 -0.07 0.41 0.00 0.00 0.00 179.25 180.28 1isk n GLY 21 N 1.33 0.74 3.39 0.00 0.00 0.12 -5.00 105.19 105.77 1isk n GLY 21 Ca -0.06 -0.56 -0.45 0.00 0.00 0.00 0.00 46.02 44.94 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 -3.05 6.41 -0.03 1.61 1.11 -0.47 -4.88 116.67 117.38 1isk s ASP 22 Ca 0.05 -1.83 -0.25 0.00 0.18 0.00 0.00 52.55 50.70 1isk s ASP 22 Cb -0.02 -2.31 -0.19 0.00 1.07 0.00 0.00 42.92 41.47 1isk s ASP 22 CO 0.07 -1.00 1.13 -0.07 1.18 0.00 0.00 175.17 176.48 1isk h LEU 23 N 9.68 -0.09 -0.31 1.23 3.38 -1.94 0.33 115.31 127.59 1isk h LEU 23 Ca -0.10 -0.45 -0.02 0.00 0.09 0.00 0.00 57.88 57.41 1isk h LEU 23 Cb 1.06 0.02 -0.01 0.00 0.09 0.00 0.00 40.66 41.82 1isk h LEU 23 CO 1.03 0.43 0.12 0.44 0.09 0.00 0.00 178.44 180.55 1isk h ASP 24 N -0.65 0.43 0.75 -0.43 5.19 -1.98 0.17 116.42 119.90 1isk h ASP 24 Ca -0.01 -0.18 -0.04 0.00 -0.62 0.00 0.00 57.03 56.19 1isk h ASP 24 Cb 0.53 -0.11 0.01 0.00 0.18 0.00 0.00 39.33 39.94 1isk h ASP 24 CO 0.02 0.49 -0.36 1.23 -3.12 0.00 0.00 179.24 177.50 1isk h GLY 25 N 0.34 -1.05 -0.09 2.75 0.00 -1.96 0.17 103.07 103.23 1isk h GLY 25 Ca 0.10 0.39 0.26 0.00 0.00 0.00 0.00 47.33 48.08 1isk h GLY 25 CO -0.01 -0.38 0.67 -2.22 0.00 0.00 0.00 176.54 174.60 1isk h ILE 26 N -1.08 0.54 -0.23 2.60 2.04 -0.36 1.32 117.51 122.34 1isk h ILE 26 Ca -0.10 -0.13 -0.13 0.00 1.00 0.00 0.00 64.86 65.50 1isk h ILE 26 Cb 0.77 0.12 -0.01 0.00 -0.74 0.00 0.00 36.82 36.96 1isk h ILE 26 CO 0.17 0.07 -0.39 0.58 0.00 0.00 0.00 178.15 178.58 1isk h VAL 27 N 0.38 1.30 0.00 1.67 2.07 -0.63 -2.11 116.25 118.93 1isk h VAL 27 Ca 0.58 -1.54 0.00 0.00 0.82 0.00 0.00 66.70 66.55 1isk h VAL 27 Cb 1.49 1.55 0.00 0.00 -1.52 0.00 0.00 31.29 32.81 1isk h VAL 27 CO -0.27 0.49 0.00 0.00 0.02 0.00 0.00 177.57 177.80 1isk h ALA 28 N 1.13 1.00 0.26 1.67 0.00 0.45 -3.31 119.26 120.46 1isk h ALA 28 Ca 0.04 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.94 1isk h ALA 28 Cb 0.88 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.67 1isk h ALA 28 CO 0.08 0.00 -0.12 -0.07 0.00 0.00 0.00 179.25 179.13 1isk h LEU 29 N 0.00 -0.30 0.00 0.00 3.38 0.55 -3.46 115.31 115.49 1isk h LEU 29 Ca 0.00 0.01 -0.25 0.00 0.09 0.00 0.00 57.88 57.73 1isk h LEU 29 Cb 0.71 0.08 0.07 0.00 0.09 0.00 0.00 40.66 41.60 1isk h LEU 29 CO 0.00 -0.18 0.12 2.22 0.09 0.00 0.00 178.44 180.70 1isk n PHE 30 N -3.13 -3.43 -0.43 1.13 1.16 -1.18 -4.90 117.46 106.68 1isk n PHE 30 Ca -0.04 -0.88 -0.16 0.00 -1.87 0.00 0.00 57.45 54.50 1isk n PHE 30 Cb 0.14 -0.47 0.16 0.00 -1.61 0.00 0.00 39.48 37.70 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 -3.13 -2.80 0.28 1.98 0.00 -0.19 -4.90 120.51 111.75 1isk n ALA 31 Ca -0.10 -0.82 0.04 0.00 0.00 0.00 0.00 53.44 52.57 1isk n ALA 31 Cb 0.33 -0.07 -0.06 0.00 0.00 0.00 0.00 19.45 19.65 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 -1.93 1.24 -0.27 0.00 8.00 -1.26 -4.42 116.55 117.90 1isk n ASP 32 Ca 0.07 -0.48 0.03 0.00 0.71 0.00 0.00 54.79 55.12 1isk n ASP 32 Cb 0.32 1.14 0.05 0.00 -0.02 0.00 0.00 41.12 42.61 1isk n ASP 32 CO 0.00 0.00 0.00 0.47 -0.39 0.00 0.00 177.20 177.28 1isk n ASP 33 N -1.41 2.09 -3.71 -2.24 9.92 -1.26 0.13 116.55 120.06 1isk n ASP 33 Ca 0.01 -1.73 -0.27 0.00 -0.53 0.00 0.00 54.79 52.26 1isk n ASP 33 Cb 0.17 -0.07 0.24 0.00 -0.64 0.00 0.00 41.12 40.82 1isk n ASP 33 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1isk n ALA 34 N 0.09 -3.59 -3.74 2.24 0.00 -1.26 -3.58 120.51 110.67 1isk n ALA 34 Ca 0.05 -1.51 -0.23 0.00 0.00 0.00 0.00 53.44 51.74 1isk n ALA 34 Cb 0.26 -1.49 -0.17 0.00 0.00 0.00 0.00 19.45 18.05 1isk n ALA 34 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 1isk s THR 35 N -2.18 0.68 0.02 0.00 -4.23 0.21 -1.07 115.64 109.07 1isk s THR 35 Ca 0.59 -0.12 -0.18 0.00 -1.18 0.00 0.00 61.69 60.80 1isk s THR 35 Cb -0.14 -0.73 -0.06 0.00 1.34 0.00 0.00 72.50 72.91 1isk s THR 35 CO 0.54 0.29 0.52 -0.69 -0.54 0.00 0.00 174.62 174.74 1isk s VAL 36 N 1.48 4.90 -0.40 2.29 1.01 -0.37 -0.78 120.40 128.53 1isk s VAL 36 Ca -0.01 1.09 0.09 0.00 0.00 0.00 0.00 61.98 63.15 1isk s VAL 36 Cb -0.13 -3.84 0.31 0.00 0.00 0.00 0.00 36.38 32.71 1isk s VAL 36 CO -0.04 0.51 0.76 1.21 0.00 0.00 0.00 175.10 177.54 1isk n GLU 37 N 2.17 0.89 -4.43 2.72 0.00 0.46 0.25 120.64 122.70 1isk n GLU 37 Ca -0.10 -2.90 -0.20 0.00 0.00 0.00 0.00 57.16 53.96 1isk n GLU 37 Cb 0.51 -1.43 -0.14 0.00 0.00 0.00 0.00 31.44 30.38 1isk n GLU 37 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.13 177.47 1isk s ASP 38 N -1.81 1.35 -0.02 4.31 2.15 -1.26 -0.99 116.67 120.40 1isk s ASP 38 Ca 0.35 -0.27 -0.04 0.00 0.43 0.00 0.00 52.55 53.02 1isk s ASP 38 Cb 0.28 -0.13 -0.02 0.00 -0.30 0.00 0.00 42.92 42.75 1isk s ASP 38 CO -0.10 0.10 0.30 1.55 -0.17 0.00 0.00 175.17 176.85 1isk h PRO 39 N 5.62 -0.13 0.00 4.34 0.13 -1.99 -3.48 132.00 136.48 1isk h PRO 39 Ca -0.33 0.01 -0.18 0.00 -0.87 0.00 0.00 66.00 64.62 1isk h PRO 39 Cb 1.17 0.03 -0.04 0.00 0.13 0.00 0.00 31.00 32.29 1isk h PRO 39 CO 0.48 -0.09 -0.10 0.28 -0.23 0.00 0.00 178.00 178.34 1isk n VAL 40 N -3.22 0.00 0.00 1.56 0.31 -1.26 -2.99 118.33 112.73 1isk n VAL 40 Ca -0.02 -1.14 0.00 0.00 -0.01 0.00 0.00 64.34 63.17 1isk n VAL 40 Cb 0.05 0.70 0.00 0.00 -0.91 0.00 0.00 33.84 33.68 1isk n VAL 40 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1isk n GLY 41 N -0.37 1.00 2.08 2.92 0.00 -1.26 -5.01 105.19 104.55 1isk n GLY 41 Ca 0.01 0.00 0.14 0.00 0.00 0.00 0.00 46.02 46.17 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 -6.91 -2.22 1.61 7.64 -1.26 -4.99 113.62 107.49 1isk n SER 42 Ca 0.00 1.12 -0.03 0.00 1.01 0.00 0.00 58.87 60.97 1isk n SER 42 Cb 0.00 -3.14 0.01 0.00 -1.01 0.00 0.00 64.21 60.07 1isk n SER 42 CO 0.00 0.00 0.00 1.21 -3.01 0.00 0.00 175.04 173.24 1isk n GLU 43 N -3.43 -0.75 -0.66 1.43 2.13 -1.26 -5.03 120.64 113.07 1isk n GLU 43 Ca 0.01 0.70 -0.13 0.00 0.66 0.00 0.00 57.16 58.40 1isk n GLU 43 Cb 0.47 -3.38 0.10 0.00 0.27 0.00 0.00 31.44 28.91 1isk n GLU 43 CO 0.00 0.00 0.00 -0.35 -0.41 0.00 0.00 177.13 176.37 1isk n PRO 44 N -1.73 -1.27 -3.86 5.31 -0.04 -1.26 -4.96 135.00 127.19 1isk n PRO 44 Ca -0.01 -0.85 -0.30 0.00 -0.04 0.00 0.00 63.50 62.30 1isk n PRO 44 Cb 0.52 -0.67 -0.16 0.00 -0.04 0.00 0.00 33.50 33.15 1isk n PRO 44 CO 0.00 0.00 0.00 1.03 -0.04 0.00 0.00 175.50 176.49 1isk s ARG 45 N -4.21 1.23 0.04 0.54 3.00 0.14 -4.88 118.95 114.81 1isk s ARG 45 Ca 0.33 -0.95 -0.18 0.00 0.00 0.00 0.00 55.73 54.93 1isk s ARG 45 Cb -0.02 -2.43 -0.06 0.00 0.00 0.00 0.00 34.95 32.44 1isk s ARG 45 CO 0.24 -0.71 0.51 -1.54 0.00 0.00 0.00 175.30 173.81 1isk s SER 46 N 1.50 6.97 0.00 0.23 1.04 -1.26 -1.24 113.70 120.94 1isk s SER 46 Ca -0.01 1.15 0.00 0.00 0.48 0.00 0.00 55.95 57.57 1isk s SER 46 Cb -0.18 -2.32 0.00 0.00 0.10 0.00 0.00 66.02 63.62 1isk s SER 46 CO -0.10 0.28 0.00 0.61 0.98 0.00 0.00 173.24 175.01 1isk n GLY 47 N 1.81 0.59 0.60 7.32 0.00 -0.23 -4.17 105.19 111.10 1isk n GLY 47 Ca -0.11 -1.20 0.39 0.00 0.00 0.00 0.00 46.02 45.09 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 0.07 0.35 2.61 1.03 0.76 0.31 112.91 118.04 1isk h THR 48 Ca 0.00 0.00 -0.02 0.00 -0.01 0.00 0.00 66.41 66.38 1isk h THR 48 Cb 0.00 0.09 0.00 0.00 -1.07 0.00 0.00 68.15 67.18 1isk h THR 48 CO 0.00 0.00 -0.17 0.00 -0.01 0.00 0.00 175.52 175.34 1isk h ALA 49 N 0.88 -0.88 -0.79 0.00 0.00 -1.85 0.40 119.26 117.02 1isk h ALA 49 Ca 0.66 -0.10 0.10 0.00 0.00 0.00 0.00 54.91 55.57 1isk h ALA 49 Cb 3.08 0.18 -0.06 0.00 0.00 0.00 0.00 17.79 20.99 1isk h ALA 49 CO -0.01 -0.84 0.52 0.00 0.00 0.00 0.00 179.25 178.92 1isk h ALA 50 N -1.67 1.79 -0.47 0.00 0.00 -0.71 0.44 119.26 118.64 1isk h ALA 50 Ca -0.05 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.83 1isk h ALA 50 Cb 0.36 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.97 1isk h ALA 50 CO 0.08 0.04 0.21 0.82 0.00 0.00 0.00 179.25 180.39 1isk h ILE 51 N 0.70 1.20 0.82 0.00 2.04 -0.60 -0.91 117.51 120.77 1isk h ILE 51 Ca 0.37 -0.59 -0.04 0.00 1.00 0.00 0.00 64.86 65.60 1isk h ILE 51 Cb 0.49 0.71 0.00 0.00 -0.74 0.00 0.00 36.82 37.28 1isk h ILE 51 CO -0.14 0.22 -0.45 -0.09 0.00 0.00 0.00 178.15 177.69 1isk h ARG 52 N 0.62 -1.13 -0.88 2.37 1.12 0.19 0.16 114.38 116.83 1isk h ARG 52 Ca 0.16 0.08 0.20 0.00 -1.11 0.00 0.00 59.98 59.30 1isk h ARG 52 Cb 0.16 0.26 -0.12 0.00 -0.01 0.00 0.00 29.97 30.26 1isk h ARG 52 CO -0.02 -0.75 0.40 1.49 -3.11 0.00 0.00 179.97 177.98 1isk h GLU 53 N -1.17 0.44 0.67 0.20 4.81 -1.14 0.34 114.58 118.73 1isk h GLU 53 Ca -0.11 -0.03 -0.03 0.00 -0.13 0.00 0.00 59.36 59.06 1isk h GLU 53 Cb 0.92 -0.10 0.01 0.00 0.63 0.00 0.00 28.75 30.21 1isk h GLU 53 CO 0.15 0.29 -0.32 0.35 -0.73 0.00 0.00 179.01 178.75 1isk h PHE 54 N 0.46 -0.83 0.00 0.92 3.57 -0.78 -1.23 116.94 119.05 1isk h PHE 54 Ca 0.53 -0.02 0.00 0.00 3.53 0.00 0.00 57.97 62.01 1isk h PHE 54 Cb 0.94 0.28 0.00 0.00 2.79 0.00 0.00 35.95 39.95 1isk h PHE 54 CO -0.13 -0.52 0.19 1.88 -2.23 0.00 0.00 178.31 177.51 1isk h TYR 55 N -0.99 0.00 0.07 0.41 -1.99 -0.05 -0.58 116.97 113.83 1isk h TYR 55 Ca -0.09 0.00 -0.00 0.00 2.00 0.00 0.00 58.73 60.63 1isk h TYR 55 Cb 0.69 0.00 0.00 0.00 2.00 0.00 0.00 36.73 39.42 1isk h TYR 55 CO 0.05 0.00 -0.03 0.00 -0.00 0.00 0.00 178.16 178.18 1isk h ALA 56 N 1.57 -0.22 -0.90 3.88 0.00 0.09 0.30 119.26 123.98 1isk h ALA 56 Ca 0.00 -0.02 0.26 0.00 0.00 0.00 0.00 54.91 55.15 1isk h ALA 56 Cb 0.39 0.04 -0.04 0.00 0.00 0.00 0.00 17.79 18.18 1isk h ALA 56 CO 0.00 -0.22 0.65 -2.95 0.00 0.00 0.00 179.25 176.73 1isk h ASN 57 N -0.37 0.00 0.03 0.00 -1.07 -0.74 0.22 115.58 113.64 1isk h ASN 57 Ca -0.01 0.00 -0.00 0.00 0.07 0.00 0.00 56.30 56.36 1isk h ASN 57 Cb 0.07 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 36.32 1isk h ASN 57 CO 0.02 0.00 -0.01 -1.28 0.07 0.00 0.00 177.43 176.22 1isk h SER 58 N 0.00 -0.03 -0.02 6.14 0.87 -1.18 -3.16 113.55 116.16 1isk h SER 58 Ca 0.43 -0.69 0.01 0.00 -1.23 0.00 0.00 61.79 60.30 1isk h SER 58 Cb 1.71 0.01 -0.00 0.00 -0.44 0.00 0.00 62.40 63.68 1isk h SER 58 CO -0.00 0.74 0.17 -0.07 -0.53 0.00 0.00 176.83 177.14 1isk h LEU 59 N -0.89 0.00 -1.66 2.23 3.38 0.17 -1.47 115.31 117.08 1isk h LEU 59 Ca -0.00 0.00 0.40 0.00 0.09 0.00 0.00 57.88 58.36 1isk h LEU 59 Cb 0.72 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 41.41 1isk h LEU 59 CO 0.01 0.00 1.17 0.50 0.09 0.00 0.00 178.44 180.21 1isk h LYS 60 N 0.00 0.00 -5.70 1.13 3.64 -0.64 -3.36 116.57 111.64 1isk h LYS 60 Ca 0.01 0.00 -0.67 0.00 -1.27 0.00 0.00 60.65 58.72 1isk h LYS 60 Cb 0.36 0.00 -0.09 0.00 -0.41 0.00 0.00 32.23 32.09 1isk h LYS 60 CO -0.00 0.00 -0.51 -1.17 -2.27 0.00 0.00 179.45 175.50 1isk s LEU 61 N -7.42 4.23 -0.80 5.20 2.96 -0.55 -4.98 118.68 117.32 1isk s LEU 61 Ca -0.04 0.41 -0.06 0.00 -0.22 0.00 0.00 54.13 54.21 1isk s LEU 61 Cb 0.21 -2.02 -0.11 0.00 0.50 0.00 0.00 46.19 44.76 1isk s LEU 61 CO 0.70 0.40 2.61 -0.81 -1.32 0.00 0.00 176.35 177.93 1isk n PRO 62 N 2.02 2.35 -0.70 0.98 -0.04 -1.26 -4.92 135.00 133.42 1isk n PRO 62 Ca -0.20 -1.42 -0.32 0.00 -0.04 0.00 0.00 63.50 61.52 1isk n PRO 62 Cb 0.55 -2.35 0.16 0.00 -0.04 0.00 0.00 33.50 31.82 1isk n PRO 62 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 1isk n LEU 63 N 3.48 -1.30 -3.16 1.53 4.77 -1.26 -4.88 117.00 116.18 1isk n LEU 63 Ca 0.50 0.05 -0.22 0.00 -0.03 0.00 0.00 56.01 56.31 1isk n LEU 63 Cb 0.35 -1.09 -0.05 0.00 -2.33 0.00 0.00 43.42 40.30 1isk n LEU 63 CO 0.56 -3.27 -0.13 0.00 -1.33 0.00 0.00 177.39 173.22 1isk n ALA 64 N -4.17 2.92 -1.92 -1.18 0.00 0.16 -4.91 120.51 111.41 1isk n ALA 64 Ca 0.03 -3.84 -0.41 0.00 0.00 0.00 0.00 53.44 49.23 1isk n ALA 64 Cb 0.58 -0.86 -0.05 0.00 0.00 0.00 0.00 19.45 19.13 1isk n ALA 64 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1isk s VAL 65 N -2.58 3.83 -0.11 0.00 1.01 -1.26 -1.45 120.40 119.83 1isk s VAL 65 Ca 0.41 1.71 -0.24 0.00 0.00 0.00 0.00 61.98 63.86 1isk s VAL 65 Cb 0.27 -4.09 0.06 0.00 0.00 0.00 0.00 36.38 32.62 1isk s VAL 65 CO -0.09 0.35 0.57 -0.70 0.00 0.00 0.00 175.10 175.23 1isk s GLU 66 N -0.86 0.83 0.35 2.72 2.12 -0.33 -4.57 118.70 118.97 1isk s GLU 66 Ca 0.46 0.40 -0.26 0.00 0.36 0.00 0.00 54.97 55.93 1isk s GLU 66 Cb -0.29 0.39 -0.09 0.00 0.26 0.00 0.00 34.13 34.40 1isk s GLU 66 CO 0.36 -0.20 1.02 -1.17 -0.54 0.00 0.00 175.26 174.73 1isk s LEU 67 N -0.61 4.28 0.00 2.70 1.98 -1.26 -1.39 118.68 124.38 1isk s LEU 67 Ca -0.07 2.00 0.00 0.00 -2.89 0.00 0.00 54.13 53.17 1isk s LEU 67 Cb -0.03 -4.03 0.00 0.00 0.66 0.00 0.00 46.19 42.79 1isk s LEU 67 CO 0.05 -0.28 0.00 1.07 -1.89 0.00 0.00 176.35 175.30 1isk n THR 68 N 0.37 0.00 -0.23 3.68 5.66 -1.26 -4.89 114.28 117.61 1isk n THR 68 Ca 0.03 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.03 1isk n THR 68 Cb 0.49 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 69.27 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 -3.98 1.09 7.27 -1.24 -4.82 117.38 115.70 1isk n GLN 69 Ca 0.00 0.00 -0.25 0.00 0.07 0.00 0.00 57.00 56.82 1isk n GLN 69 Cb 0.00 0.00 -0.03 0.00 2.41 0.00 0.00 30.24 32.62 1isk n GLN 69 CO 0.00 0.00 0.00 -1.83 0.07 0.00 0.00 177.06 175.30 1isk s GLU 70 N -0.16 3.34 -0.30 3.69 4.04 -1.26 -4.92 118.70 123.13 1isk s GLU 70 Ca 0.00 -0.69 0.00 0.00 0.04 0.00 0.00 54.97 54.32 1isk s GLU 70 Cb 0.00 -2.88 0.09 0.00 0.02 0.00 0.00 34.13 31.36 1isk s GLU 70 CO 0.00 0.49 0.06 0.08 -1.84 0.00 0.00 175.26 174.06 1isk s VAL 71 N -1.81 1.19 -1.19 1.83 1.01 -1.26 -1.27 120.40 118.90 1isk s VAL 71 Ca 0.34 -1.48 -0.22 0.00 0.00 0.00 0.00 61.98 60.62 1isk s VAL 71 Cb -0.10 -1.82 -0.06 0.00 0.00 0.00 0.00 36.38 34.40 1isk s VAL 71 CO 0.28 -0.55 1.90 0.54 0.00 0.00 0.00 175.10 177.27 1isk n ARG 72 N 4.73 1.89 -3.35 2.72 5.12 0.13 -4.81 116.66 123.09 1isk n ARG 72 Ca -0.03 -2.59 -0.42 0.00 -1.93 0.00 0.00 57.85 52.88 1isk n ARG 72 Cb 0.43 -3.65 -0.09 0.00 -1.16 0.00 0.00 32.46 27.99 1isk n ARG 72 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1isk s ALA 73 N 9.50 3.45 -0.24 7.54 0.00 -1.26 -0.08 121.76 140.67 1isk s ALA 73 Ca 0.65 -1.45 -0.33 0.00 0.00 0.00 0.00 51.96 50.83 1isk s ALA 73 Cb 0.01 -2.98 0.16 0.00 0.00 0.00 0.00 23.12 20.31 1isk s ALA 73 CO 0.12 -1.44 1.27 0.54 0.00 0.00 0.00 175.76 176.25 1isk s VAL 74 N 2.07 0.00 -1.29 0.00 0.11 0.26 -4.62 120.40 116.93 1isk s VAL 74 Ca 0.11 0.00 -0.01 0.00 -2.93 0.00 0.00 61.98 59.16 1isk s VAL 74 Cb -0.17 -1.00 -0.00 0.00 -1.53 0.00 0.00 36.38 33.68 1isk s VAL 74 CO 0.13 0.00 0.72 0.00 -3.33 0.00 0.00 175.10 172.62 1isk n ALA 75 N 0.21 -2.04 -2.02 1.54 0.00 -1.26 0.18 120.51 117.12 1isk n ALA 75 Ca 0.00 -0.16 -0.12 0.00 0.00 0.00 0.00 53.44 53.16 1isk n ALA 75 Cb 0.58 -2.09 -0.02 0.00 0.00 0.00 0.00 19.45 17.92 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 -3.06 -3.63 -4.53 0.00 4.13 -1.25 -4.91 115.26 102.01 1isk n ASN 76 Ca -0.29 0.24 -0.25 0.00 1.68 0.00 0.00 54.58 55.95 1isk n ASN 76 Cb 0.68 -3.21 -0.11 0.00 -1.54 0.00 0.00 39.78 35.60 1isk n ASN 76 CO 0.00 0.00 0.00 -0.70 0.28 0.00 0.00 177.26 176.84 1isk s GLU 77 N -4.26 1.79 -0.39 3.52 2.12 0.13 0.11 118.70 121.72 1isk s GLU 77 Ca 0.00 -1.94 0.07 0.00 0.36 0.00 0.00 54.97 53.46 1isk s GLU 77 Cb 0.00 -1.57 0.18 0.00 0.26 0.00 0.00 34.13 33.00 1isk s GLU 77 CO 0.00 0.08 0.57 0.00 -0.54 0.00 0.00 175.26 175.36 1isk s ALA 78 N -2.72 -1.91 -0.56 6.30 0.00 0.14 -0.58 121.76 122.43 1isk s ALA 78 Ca 0.33 -0.02 -0.07 0.00 0.00 0.00 0.00 51.96 52.19 1isk s ALA 78 Cb 0.04 -2.56 0.15 0.00 0.00 0.00 0.00 23.12 20.75 1isk s ALA 78 CO 0.16 -2.17 0.43 0.00 0.00 0.00 0.00 175.76 174.17 1isk s ALA 79 N 1.81 3.53 0.32 0.00 0.00 0.88 -0.04 121.76 128.27 1isk s ALA 79 Ca 0.16 -2.87 0.09 0.00 0.00 0.00 0.00 51.96 49.33 1isk s ALA 79 Cb -0.07 -2.85 -0.04 0.00 0.00 0.00 0.00 23.12 20.16 1isk s ALA 79 CO -0.07 -2.01 0.10 -0.59 0.00 0.00 0.00 175.76 173.19 1isk s PHE 80 N 0.74 2.70 -0.19 0.00 -0.71 0.00 0.20 117.98 120.72 1isk s PHE 80 Ca 0.11 -0.35 -0.02 0.00 -1.04 0.00 0.00 56.93 55.64 1isk s PHE 80 Cb -0.22 -1.53 0.00 0.00 -1.21 0.00 0.00 43.02 40.07 1isk s PHE 80 CO -0.03 0.41 -0.11 0.00 -1.34 0.00 0.00 175.22 174.15 1isk s ALA 81 N -2.41 2.60 0.34 1.99 0.00 -0.39 0.30 121.76 124.19 1isk s ALA 81 Ca 0.36 -1.15 0.05 0.00 0.00 0.00 0.00 51.96 51.22 1isk s ALA 81 Cb -0.03 -1.44 -0.07 0.00 0.00 0.00 0.00 23.12 21.58 1isk s ALA 81 CO 0.22 -0.31 0.01 -0.59 0.00 0.00 0.00 175.76 175.09 1isk s PHE 82 N 1.26 2.12 0.21 0.00 -0.71 -0.40 -3.70 117.98 116.76 1isk s PHE 82 Ca 0.03 -0.81 0.05 0.00 -1.04 0.00 0.00 56.93 55.16 1isk s PHE 82 Cb -0.14 -1.37 -0.03 0.00 -1.21 0.00 0.00 43.02 40.26 1isk s PHE 82 CO -0.05 0.20 0.27 0.95 -1.34 0.00 0.00 175.22 175.25 1isk s THR 83 N -3.06 4.96 -0.30 -4.49 -4.23 -0.48 -1.94 115.64 106.09 1isk s THR 83 Ca 0.34 -1.03 -0.00 0.00 -1.18 0.00 0.00 61.69 59.82 1isk s THR 83 Cb 0.08 -3.63 0.13 0.00 1.34 0.00 0.00 72.50 70.42 1isk s THR 83 CO 0.15 -0.24 0.28 0.54 -0.54 0.00 0.00 174.62 174.81 1isk s VAL 84 N -1.93 -0.33 0.25 2.29 0.11 0.15 -1.18 120.40 119.76 1isk s VAL 84 Ca 0.33 -0.62 -0.28 0.00 -2.93 0.00 0.00 61.98 58.49 1isk s VAL 84 Cb -0.09 -0.96 -0.09 0.00 -1.53 0.00 0.00 36.38 33.71 1isk s VAL 84 CO 0.27 -0.53 0.90 -0.55 -3.33 0.00 0.00 175.10 171.86 1isk s SER 85 N 2.18 7.49 -0.16 3.54 0.15 -0.53 -1.41 113.70 124.97 1isk s SER 85 Ca 0.10 1.84 -0.26 0.00 0.70 0.00 0.00 55.95 58.33 1isk s SER 85 Cb -0.15 -2.57 0.07 0.00 -1.71 0.00 0.00 66.02 61.66 1isk s SER 85 CO -0.29 0.10 0.66 0.72 1.20 0.00 0.00 173.24 175.64 1isk s PHE 86 N -1.30 -0.69 -0.32 3.44 -0.71 -0.30 0.36 117.98 118.46 1isk s PHE 86 Ca 0.42 1.47 -0.06 0.00 -1.04 0.00 0.00 56.93 57.72 1isk s PHE 86 Cb -0.23 0.31 0.03 0.00 -1.21 0.00 0.00 43.02 41.92 1isk s PHE 86 CO 0.28 -0.46 0.09 -2.00 -1.34 0.00 0.00 175.22 171.79 1isk s GLU 87 N -0.34 2.83 -0.01 1.99 -6.30 -1.26 -1.50 118.70 114.11 1isk s GLU 87 Ca -0.05 -1.03 0.05 0.00 -2.50 0.00 0.00 54.97 51.43 1isk s GLU 87 Cb -0.03 -3.41 -0.01 0.00 0.00 0.00 0.00 34.13 30.68 1isk s GLU 87 CO 0.05 -0.56 -0.16 -0.47 0.02 0.00 0.00 175.26 174.14 1isk s TYR 88 N 1.44 1.40 -1.32 5.30 5.04 0.76 -4.79 117.35 125.18 1isk s TYR 88 Ca 0.00 -0.27 -0.01 0.00 -2.44 0.00 0.00 57.07 54.35 1isk s TYR 88 Cb -0.18 -0.90 -0.00 0.00 0.35 0.00 0.00 41.96 41.22 1isk s TYR 88 CO 0.02 -0.03 0.62 0.94 -1.34 0.00 0.00 175.55 175.77 1isk n GLN 89 N 2.71 -4.20 -2.54 4.97 -0.06 -1.26 -0.26 117.38 116.75 1isk n GLN 89 Ca -0.15 0.55 -0.13 0.00 -2.00 0.00 0.00 57.00 55.27 1isk n GLN 89 Cb 0.55 -4.94 -0.00 0.00 -4.06 0.00 0.00 30.24 21.78 1isk n GLN 89 CO 0.00 0.00 0.00 0.41 -0.20 0.00 0.00 177.06 177.27 1isk n GLY 90 N -1.70 -0.50 3.15 1.69 0.00 -1.26 -4.93 105.19 101.64 1isk n GLY 90 Ca -0.29 0.01 -0.22 0.00 0.00 0.00 0.00 46.02 45.51 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 -5.13 1.15 -0.28 1.61 3.52 0.64 -5.03 118.95 115.43 1isk s ARG 91 Ca 0.04 -0.68 -0.09 0.00 -0.13 0.00 0.00 55.73 54.87 1isk s ARG 91 Cb -0.02 -1.15 -0.03 0.00 -1.56 0.00 0.00 34.95 32.19 1isk s ARG 91 CO 0.05 0.30 0.14 0.21 -0.81 0.00 0.00 175.30 175.19 1isk s LYS 92 N -0.75 3.67 0.05 5.12 2.20 0.28 -0.17 119.74 130.14 1isk s LYS 92 Ca 0.05 -0.49 0.05 0.00 -0.36 0.00 0.00 55.97 55.21 1isk s LYS 92 Cb -0.07 -3.51 -0.02 0.00 -1.51 0.00 0.00 37.83 32.71 1isk s LYS 92 CO 0.00 -0.25 -0.14 0.99 -0.36 0.00 0.00 175.35 175.59 1isk s THR 93 N 1.67 1.12 -0.14 3.43 2.01 -0.56 0.25 115.64 123.41 1isk s THR 93 Ca 0.06 -1.13 0.00 0.00 0.31 0.00 0.00 61.69 60.94 1isk s THR 93 Cb -0.16 -1.04 0.02 0.00 0.01 0.00 0.00 72.50 71.33 1isk s THR 93 CO 0.07 -0.09 -0.14 0.54 -0.69 0.00 0.00 174.62 174.32 1isk s VAL 94 N -1.02 1.53 0.31 3.82 0.11 0.12 -1.15 120.40 124.11 1isk s VAL 94 Ca 0.00 -0.61 0.06 0.00 -2.93 0.00 0.00 61.98 58.50 1isk s VAL 94 Cb -0.09 -1.44 -0.02 0.00 -1.53 0.00 0.00 36.38 33.31 1isk s VAL 94 CO 0.02 0.45 0.45 -0.69 -3.33 0.00 0.00 175.10 172.00 1isk s VAL 95 N 1.49 4.46 -0.39 2.04 1.01 -0.50 -0.84 120.40 127.66 1isk s VAL 95 Ca 0.05 -0.95 0.09 0.00 0.00 0.00 0.00 61.98 61.16 1isk s VAL 95 Cb -0.13 -3.56 0.29 0.00 0.00 0.00 0.00 36.38 32.98 1isk s VAL 95 CO -0.10 -0.23 0.64 0.00 0.00 0.00 0.00 175.10 175.41 1isk n ALA 96 N -1.60 1.91 -1.54 5.51 0.00 0.13 0.33 120.51 125.26 1isk n ALA 96 Ca -0.03 -3.20 -0.29 0.00 0.00 0.00 0.00 53.44 49.92 1isk n ALA 96 Cb 0.58 -0.90 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 -1.44 1.16 -0.15 0.00 0.04 -0.82 -4.70 135.00 129.09 1isk s PRO 97 Ca 0.36 0.29 -0.00 0.00 0.04 0.00 0.00 61.00 61.69 1isk s PRO 97 Cb 0.24 -1.84 -0.01 0.00 0.04 0.00 0.00 34.50 32.93 1isk s PRO 97 CO -0.11 -2.19 -0.13 0.42 0.04 0.00 0.00 177.00 175.04 1isk s ILE 98 N -3.28 2.87 -0.19 0.56 1.01 -0.39 -1.27 121.20 120.50 1isk s ILE 98 Ca 0.64 -0.70 -0.11 0.00 0.00 0.00 0.00 60.65 60.47 1isk s ILE 98 Cb -0.15 -2.22 -0.05 0.00 0.01 0.00 0.00 42.46 40.05 1isk s ILE 98 CO 0.53 0.51 0.20 -1.81 0.00 0.00 0.00 174.94 174.37 1isk s ASP 99 N 0.73 6.28 -0.24 3.58 1.01 0.15 -0.11 116.67 128.07 1isk s ASP 99 Ca -0.06 0.31 -0.02 0.00 0.71 0.00 0.00 52.55 53.49 1isk s ASP 99 Cb -0.15 -2.13 0.02 0.00 1.01 0.00 0.00 42.92 41.67 1isk s ASP 99 CO 0.01 0.13 -0.06 -1.00 0.21 0.00 0.00 175.17 174.46 1isk s HIS 100 N 0.51 3.03 -0.05 4.23 3.76 0.13 -0.82 115.29 126.07 1isk s HIS 100 Ca 0.11 -1.41 0.03 0.00 -0.15 0.00 0.00 55.06 53.64 1isk s HIS 100 Cb -0.12 -2.07 -0.03 0.00 1.11 0.00 0.00 32.58 31.48 1isk s HIS 100 CO 0.01 -0.69 -0.13 -0.06 -0.85 0.00 0.00 174.74 173.02 1isk s PHE 101 N 1.36 2.76 -0.38 1.40 0.08 0.94 -1.23 117.98 122.91 1isk s PHE 101 Ca 0.02 -0.12 0.04 0.00 0.12 0.00 0.00 56.93 56.99 1isk s PHE 101 Cb -0.16 -1.65 0.11 0.00 -0.57 0.00 0.00 43.02 40.75 1isk s PHE 101 CO -0.05 0.22 0.11 0.50 -0.10 0.00 0.00 175.22 175.90 1isk s ARG 102 N -0.74 1.62 -0.22 0.44 3.52 0.95 0.27 118.95 124.79 1isk s ARG 102 Ca 0.11 -2.05 -0.29 0.00 -0.13 0.00 0.00 55.73 53.38 1isk s ARG 102 Cb -0.11 -3.25 -0.01 0.00 -1.56 0.00 0.00 34.95 30.02 1isk s ARG 102 CO 0.01 -0.98 1.30 -0.06 -0.81 0.00 0.00 175.30 174.75 1isk s PHE 103 N 0.64 2.74 -0.56 5.12 0.08 0.12 0.63 117.98 126.74 1isk s PHE 103 Ca 0.12 0.92 0.00 0.00 0.12 0.00 0.00 56.93 58.10 1isk s PHE 103 Cb -0.21 -3.69 0.00 0.00 -0.57 0.00 0.00 43.02 38.55 1isk s PHE 103 CO -0.06 -1.78 0.00 0.27 -0.10 0.00 0.00 175.22 173.55 1isk n ASN 104 N 7.12 0.00 -0.78 1.36 0.23 -0.63 -4.73 115.26 117.82 1isk n ASN 104 Ca 0.14 0.00 -0.10 0.00 -0.53 0.00 0.00 54.58 54.10 1isk n ASN 104 Cb 0.46 0.00 -0.04 0.00 -2.08 0.00 0.00 39.78 38.11 1isk n ASN 104 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1isk n GLY 105 N 0.00 0.92 2.62 4.83 0.00 -1.26 0.02 105.19 112.33 1isk n GLY 105 Ca 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.91 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 1.06 -0.16 -0.67 4.61 0.00 -1.26 -4.64 120.51 119.45 1isk n ALA 106 Ca -0.10 0.17 0.00 0.00 0.00 0.00 0.00 53.44 53.51 1isk n ALA 106 Cb 0.55 -1.63 0.00 0.00 0.00 0.00 0.00 19.45 18.37 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 0.19 -0.35 3.00 0.00 0.00 -0.27 -5.14 105.19 102.63 1isk n GLY 107 Ca -0.11 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.91 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 -0.07 0.00 -1.37 1.61 5.02 0.10 -3.01 118.16 120.44 1isk n LYS 108 Ca 0.00 0.00 -0.59 0.00 -2.02 0.00 0.00 58.31 55.70 1isk n LYS 108 Cb 0.28 0.00 -0.10 0.00 -0.02 0.00 0.00 35.03 35.19 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 0.00 0.00 -0.03 -0.18 0.31 -1.25 -1.61 118.33 115.57 1isk n VAL 109 Ca 0.00 0.00 -0.03 0.00 -0.01 0.00 0.00 64.34 64.30 1isk n VAL 109 Cb 0.00 -0.46 -0.04 0.00 -0.91 0.00 0.00 33.84 32.43 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 4.86 0.38 -3.80 2.52 0.31 0.20 -1.02 118.33 121.78 1isk n VAL 110 Ca 0.40 -0.23 -0.37 0.00 -0.01 0.00 0.00 64.34 64.13 1isk n VAL 110 Cb -0.05 -0.85 -0.13 0.00 -0.91 0.00 0.00 33.84 31.91 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 -3.74 5.08 -0.20 4.52 0.15 -1.17 0.68 113.70 119.03 1isk s SER 111 Ca -0.03 -0.99 0.01 0.00 0.70 0.00 0.00 55.95 55.64 1isk s SER 111 Cb 0.02 -1.83 0.04 0.00 -1.71 0.00 0.00 66.02 62.54 1isk s SER 111 CO 0.22 -0.25 -0.11 -0.32 1.20 0.00 0.00 173.24 173.98 1isk s MET 112 N 1.41 2.14 -0.05 5.44 0.00 0.04 -0.03 119.30 128.25 1isk s MET 112 Ca -0.01 -0.84 -0.03 0.00 0.00 0.00 0.00 55.69 54.81 1isk s MET 112 Cb -0.18 -2.42 0.02 0.00 0.00 0.00 0.00 34.83 32.25 1isk s MET 112 CO 0.01 -0.40 0.13 0.50 0.00 0.00 0.00 175.02 175.26 1isk s ARG 113 N 1.38 0.11 0.36 4.11 3.52 -0.36 0.17 118.95 128.25 1isk s ARG 113 Ca -0.01 0.24 0.07 0.00 -0.13 0.00 0.00 55.73 55.91 1isk s ARG 113 Cb -0.16 -0.04 -0.02 0.00 -1.56 0.00 0.00 34.95 33.18 1isk s ARG 113 CO -0.09 -0.08 0.38 0.00 -0.81 0.00 0.00 175.30 174.70 1isk s ALA 114 N 0.52 4.05 -0.24 6.12 0.00 -0.16 0.19 121.76 132.24 1isk s ALA 114 Ca -0.04 -1.67 -0.02 0.00 0.00 0.00 0.00 51.96 50.23 1isk s ALA 114 Cb -0.05 -1.29 0.12 0.00 0.00 0.00 0.00 23.12 21.90 1isk s ALA 114 CO -0.02 -0.09 0.29 -0.51 0.00 0.00 0.00 175.76 175.43 1isk s LEU 115 N -4.10 -0.30 -0.11 0.00 1.02 0.85 -4.25 118.68 111.79 1isk s LEU 115 Ca 0.45 -0.30 0.03 0.00 0.02 0.00 0.00 54.13 54.33 1isk s LEU 115 Cb -0.06 0.62 0.01 0.00 0.02 0.00 0.00 46.19 46.77 1isk s LEU 115 CO 0.28 -0.34 -0.20 0.72 0.02 0.00 0.00 176.35 176.83 1isk s PHE 116 N 2.40 2.34 0.46 0.29 -0.71 -1.26 -1.27 117.98 120.23 1isk s PHE 116 Ca 0.09 -1.06 0.07 0.00 -1.04 0.00 0.00 56.93 54.99 1isk s PHE 116 Cb -0.15 -1.61 -0.00 0.00 -1.21 0.00 0.00 43.02 40.05 1isk s PHE 116 CO -0.20 -0.48 0.36 0.20 -1.34 0.00 0.00 175.22 173.76 1isk s GLY 117 N 0.68 2.24 0.00 1.99 0.00 -1.26 -4.95 107.32 106.03 1isk s GLY 117 Ca -0.12 -1.73 0.26 0.00 0.00 0.00 0.00 44.72 43.13 1isk s GLY 117 CO 0.02 -1.82 1.89 -2.21 0.00 0.00 0.00 173.10 170.98 1isk n GLU 118 N -1.58 0.62 -0.87 2.90 2.13 -1.26 -2.49 120.64 120.08 1isk n GLU 118 Ca 0.01 0.02 -0.07 0.00 0.66 0.00 0.00 57.16 57.79 1isk n GLU 118 Cb 0.63 -1.50 0.22 0.00 0.27 0.00 0.00 31.44 31.06 1isk n GLU 118 CO 0.00 0.00 0.00 1.17 -0.41 0.00 0.00 177.13 177.89 1isk n LYS 119 N -1.12 2.42 -0.97 5.31 3.00 -1.26 -4.25 118.16 121.28 1isk n LYS 119 Ca 0.16 -3.08 0.02 0.00 -0.00 0.00 0.00 58.31 55.42 1isk n LYS 119 Cb 0.14 -1.97 0.01 0.00 0.00 0.00 0.00 35.03 33.22 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 -0.87 0.51 -4.10 3.14 3.02 -1.04 -5.05 115.26 110.86 1isk n ASN 120 Ca 0.38 -2.03 -0.24 0.00 -0.03 0.00 0.00 54.58 52.67 1isk n ASN 120 Cb 1.21 -0.25 -0.16 0.00 -0.61 0.00 0.00 39.78 39.97 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 -0.05 1.21 -0.16 2.41 1.09 -1.26 0.23 121.20 124.67 1isk s ILE 121 Ca 0.17 -0.62 0.00 0.00 -1.10 0.00 0.00 60.65 59.10 1isk s ILE 121 Cb 0.19 -1.04 0.03 0.00 -1.06 0.00 0.00 42.46 40.58 1isk s ILE 121 CO -0.08 0.35 -0.11 -1.00 -0.10 0.00 0.00 174.94 174.00 1isk s HIS 122 N -0.08 2.05 0.22 3.97 3.76 -0.02 -4.96 115.29 120.23 1isk s HIS 122 Ca -0.00 -1.21 -0.13 0.00 -0.15 0.00 0.00 55.06 53.57 1isk s HIS 122 Cb -0.09 -1.51 -0.08 0.00 1.11 0.00 0.00 32.58 32.02 1isk s HIS 122 CO 0.01 -0.65 0.60 0.00 -0.85 0.00 0.00 174.74 173.85 1isk s ALA 123 N 1.52 3.51 -0.04 -1.40 0.00 -1.26 -0.71 121.76 123.39 1isk s ALA 123 Ca 0.03 -0.12 -0.30 0.00 0.00 0.00 0.00 51.96 51.57 1isk s ALA 123 Cb -0.14 -2.57 0.12 0.00 0.00 0.00 0.00 23.12 20.53 1isk s ALA 123 CO -0.09 0.44 1.32 0.20 0.00 0.00 0.00 175.76 177.63 1isk s GLY 124 N -2.05 -0.32 0.00 0.00 0.00 0.14 -4.97 107.32 100.12 1isk s GLY 124 Ca 0.45 0.48 0.00 0.00 0.00 0.00 0.00 44.72 45.65 1isk s GLY 124 CO 0.20 2.46 0.17 0.00 0.00 0.00 0.00 173.10 175.93