#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 3.74 0.16 6.12 0.02 -1.26 -5.02 114.94 118.70 1isk s ASN 2 Ca 0.00 -0.08 0.03 0.00 -1.02 0.00 0.00 52.86 51.78 1isk s ASN 2 Cb 0.00 -0.12 -0.03 0.00 0.02 0.00 0.00 41.25 41.11 1isk s ASN 2 CO 0.00 -2.29 0.29 0.42 0.02 0.00 0.00 177.10 175.54 1isk s THR 3 N -3.50 5.29 0.14 1.60 -4.23 -1.26 -4.78 115.64 108.90 1isk s THR 3 Ca 0.70 -0.74 -0.05 0.00 -1.18 0.00 0.00 61.69 60.43 1isk s THR 3 Cb -0.04 -3.74 -0.16 0.00 1.34 0.00 0.00 72.50 69.89 1isk s THR 3 CO 0.49 -0.12 1.33 1.55 -0.54 0.00 0.00 174.62 177.32 1isk h PRO 4 N 2.02 0.47 -0.47 3.99 0.13 -1.99 -1.47 132.00 134.69 1isk h PRO 4 Ca -0.49 -0.45 -0.02 0.00 -0.87 0.00 0.00 66.00 64.17 1isk h PRO 4 Cb 1.20 0.12 -0.02 0.00 0.13 0.00 0.00 31.00 32.43 1isk h PRO 4 CO 0.67 1.10 0.21 1.49 -0.23 0.00 0.00 178.00 181.25 1isk h GLU 5 N 0.28 0.68 -0.10 0.86 4.22 -1.95 0.14 114.58 118.72 1isk h GLU 5 Ca -0.07 -0.11 -0.03 0.00 0.08 0.00 0.00 59.36 59.23 1isk h GLU 5 Cb 1.50 -0.12 -0.00 0.00 0.50 0.00 0.00 28.75 30.62 1isk h GLU 5 CO 0.16 0.59 -0.06 1.25 -2.18 0.00 0.00 179.01 178.76 1isk h HIS 6 N 0.62 0.26 -0.01 0.92 2.76 -1.98 -1.27 115.15 116.45 1isk h HIS 6 Ca 0.16 -0.07 0.03 0.00 -2.20 0.00 0.00 60.37 58.29 1isk h HIS 6 Cb 0.14 -0.06 -0.04 0.00 1.55 0.00 0.00 27.41 29.00 1isk h HIS 6 CO -0.00 0.60 -0.24 0.52 -1.30 0.00 0.00 177.93 177.50 1isk h MET 7 N -0.16 -0.36 -0.36 5.26 2.86 -1.11 0.31 114.93 121.37 1isk h MET 7 Ca 0.02 0.02 0.03 0.00 -2.06 0.00 0.00 59.70 57.72 1isk h MET 7 Cb 0.54 0.08 -0.04 0.00 0.06 0.00 0.00 31.60 32.25 1isk h MET 7 CO 0.02 -0.24 0.15 1.15 1.06 0.00 0.00 176.91 179.05 1isk h THR 8 N -0.37 0.94 -0.74 2.22 2.02 -0.75 -0.38 112.91 115.84 1isk h THR 8 Ca 0.06 -0.11 0.06 0.00 0.77 0.00 0.00 66.41 67.19 1isk h THR 8 Cb 0.46 0.59 -0.05 0.00 -1.74 0.00 0.00 68.15 67.41 1isk h THR 8 CO -0.22 0.06 0.49 0.00 0.37 0.00 0.00 175.52 176.21 1isk h ALA 9 N 1.21 1.66 -0.52 6.16 0.00 -0.68 -0.35 119.26 126.74 1isk h ALA 9 Ca 0.16 -0.02 -0.05 0.00 0.00 0.00 0.00 54.91 55.00 1isk h ALA 9 Cb 0.10 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.66 1isk h ALA 9 CO -0.14 0.23 0.14 0.28 0.00 0.00 0.00 179.25 179.76 1isk h VAL 10 N 0.80 1.24 0.31 0.00 2.07 0.10 -1.04 116.25 119.72 1isk h VAL 10 Ca 0.31 -0.83 -0.00 0.00 0.82 0.00 0.00 66.70 67.00 1isk h VAL 10 Cb 0.21 0.79 -0.01 0.00 -1.52 0.00 0.00 31.29 30.76 1isk h VAL 10 CO -0.10 0.30 -0.24 0.58 0.02 0.00 0.00 177.57 178.13 1isk h VAL 11 N 0.72 0.50 -0.70 2.57 2.07 0.45 0.17 116.25 122.03 1isk h VAL 11 Ca 0.16 0.00 0.12 0.00 0.82 0.00 0.00 66.70 67.81 1isk h VAL 11 Cb 0.31 0.50 -0.09 0.00 -1.52 0.00 0.00 31.29 30.49 1isk h VAL 11 CO -0.00 0.00 0.27 -0.61 0.02 0.00 0.00 177.57 177.25 1isk h GLN 12 N -0.55 0.42 -0.66 1.57 -0.00 -1.08 0.28 115.11 115.10 1isk h GLN 12 Ca -0.02 -0.03 -0.00 0.00 -0.00 0.00 0.00 58.65 58.60 1isk h GLN 12 Cb 0.48 -0.10 -0.03 0.00 0.00 0.00 0.00 27.48 27.83 1isk h GLN 12 CO -0.01 0.28 0.40 -0.09 0.00 0.00 0.00 178.83 179.41 1isk h ARG 13 N 0.44 0.89 -0.42 1.69 9.65 -0.64 0.61 114.38 126.61 1isk h ARG 13 Ca 0.37 -0.08 -0.03 0.00 -1.10 0.00 0.00 59.98 59.14 1isk h ARG 13 Cb 0.52 -0.19 -0.02 0.00 -1.39 0.00 0.00 29.97 28.89 1isk h ARG 13 CO -0.36 0.63 0.15 -0.92 2.80 0.00 0.00 179.97 182.27 1isk h TYR 14 N 0.90 0.66 0.69 2.20 3.20 0.12 0.13 116.97 124.87 1isk h TYR 14 Ca 0.24 -0.06 -0.03 0.00 3.14 0.00 0.00 58.73 62.01 1isk h TYR 14 Cb -0.04 -0.19 0.01 0.00 1.54 0.00 0.00 36.73 38.05 1isk h TYR 14 CO -0.02 0.59 -0.33 0.28 -1.64 0.00 0.00 178.16 177.05 1isk h VAL 15 N 0.53 0.00 -0.65 1.81 2.07 -0.17 0.39 116.25 120.24 1isk h VAL 15 Ca 0.14 -0.04 0.14 0.00 0.82 0.00 0.00 66.70 67.76 1isk h VAL 15 Cb 0.23 0.00 -0.11 0.00 -1.52 0.00 0.00 31.29 29.89 1isk h VAL 15 CO -0.01 0.00 -0.03 0.00 0.02 0.00 0.00 177.57 177.55 1isk h ALA 16 N -1.54 0.60 -0.25 1.67 0.00 -0.90 1.17 119.26 120.01 1isk h ALA 16 Ca -0.09 0.21 0.01 0.00 0.00 0.00 0.00 54.91 55.04 1isk h ALA 16 Cb 0.71 0.38 -0.01 0.00 0.00 0.00 0.00 17.79 18.87 1isk h ALA 16 CO 0.15 -0.41 0.16 0.00 0.00 0.00 0.00 179.25 179.16 1isk h ALA 17 N 1.61 1.85 0.32 0.00 0.00 -0.58 0.40 119.26 122.86 1isk h ALA 17 Ca 0.34 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 55.22 1isk h ALA 17 Cb 0.55 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.25 1isk h ALA 17 CO -0.58 0.13 -0.15 1.25 0.00 0.00 0.00 179.25 179.90 1isk h LEU 18 N 0.31 -0.36 -2.47 0.00 5.85 0.56 -0.74 115.31 118.47 1isk h LEU 18 Ca 0.09 -0.18 0.00 0.00 0.84 0.00 0.00 57.88 58.63 1isk h LEU 18 Cb -0.00 0.09 0.00 0.00 0.37 0.00 0.00 40.66 41.12 1isk h LEU 18 CO -0.02 0.06 0.00 -1.13 -0.34 0.00 0.00 178.44 177.01 1isk h ASN 19 N -0.87 0.00 1.12 1.25 -1.24 0.11 0.39 115.58 116.34 1isk h ASN 19 Ca -0.04 0.00 0.00 0.00 0.71 0.00 0.00 56.30 56.97 1isk h ASN 19 Cb 0.52 0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.57 1isk h ASN 19 CO 0.07 0.00 -0.43 0.00 -1.29 0.00 0.00 177.43 175.79 1isk h ALA 20 N 2.01 0.72 -5.21 1.57 0.00 0.06 -3.48 119.26 114.94 1isk h ALA 20 Ca 0.00 0.00 -0.36 0.00 0.00 0.00 0.00 54.91 54.55 1isk h ALA 20 Cb 0.11 0.00 0.12 0.00 0.00 0.00 0.00 17.79 18.02 1isk h ALA 20 CO 0.00 0.00 -0.61 0.41 0.00 0.00 0.00 179.25 179.05 1isk n GLY 21 N 1.30 -0.41 3.38 0.00 0.00 0.14 -4.93 105.19 104.68 1isk n GLY 21 Ca 0.04 0.15 -0.46 0.00 0.00 0.00 0.00 46.02 45.76 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 -3.21 6.68 0.09 1.61 1.01 -0.56 -4.85 116.67 117.44 1isk s ASP 22 Ca 0.50 -2.35 -0.16 0.00 0.71 0.00 0.00 52.55 51.25 1isk s ASP 22 Cb -0.22 -2.30 -0.08 0.00 1.01 0.00 0.00 42.92 41.33 1isk s ASP 22 CO 0.62 -0.81 1.44 -0.07 0.21 0.00 0.00 175.17 176.55 1isk h LEU 23 N 9.02 0.66 0.29 1.23 3.38 -1.92 0.30 115.31 128.28 1isk h LEU 23 Ca 0.11 -0.44 -0.01 0.00 0.09 0.00 0.00 57.88 57.63 1isk h LEU 23 Cb 1.04 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 41.61 1isk h LEU 23 CO 0.92 0.95 -0.14 0.44 0.09 0.00 0.00 178.44 180.71 1isk h ASP 24 N 0.37 -0.33 0.79 -0.43 3.32 -1.98 0.37 116.42 118.53 1isk h ASP 24 Ca 0.06 0.00 -0.04 0.00 0.02 0.00 0.00 57.03 57.07 1isk h ASP 24 Cb 0.73 0.08 0.01 0.00 0.22 0.00 0.00 39.33 40.37 1isk h ASP 24 CO 0.05 -0.22 -0.38 1.23 -1.72 0.00 0.00 179.24 178.20 1isk h GLY 25 N -0.40 -1.11 -0.71 2.75 0.00 -1.96 0.01 103.07 101.65 1isk h GLY 25 Ca -0.04 0.41 0.37 0.00 0.00 0.00 0.00 47.33 48.07 1isk h GLY 25 CO 0.06 -0.40 0.76 -2.22 0.00 0.00 0.00 176.54 174.75 1isk h ILE 26 N -1.13 0.28 -0.30 2.60 2.04 -0.42 1.59 117.51 122.17 1isk h ILE 26 Ca -0.11 -0.07 -0.10 0.00 1.00 0.00 0.00 64.86 65.58 1isk h ILE 26 Cb 0.81 0.05 -0.01 0.00 -0.74 0.00 0.00 36.82 36.94 1isk h ILE 26 CO 0.18 0.04 -0.20 0.58 0.00 0.00 0.00 178.15 178.75 1isk h VAL 27 N 0.21 1.30 0.00 1.67 2.07 -0.53 -2.22 116.25 118.74 1isk h VAL 27 Ca 0.73 -1.33 0.00 0.00 0.82 0.00 0.00 66.70 66.92 1isk h VAL 27 Cb 2.13 1.50 0.00 0.00 -1.52 0.00 0.00 31.29 33.40 1isk h VAL 27 CO -0.38 0.43 0.00 0.00 0.02 0.00 0.00 177.57 177.63 1isk n ALA 28 N -2.47 1.64 0.07 1.67 0.00 0.50 -3.31 120.51 118.61 1isk n ALA 28 Ca -0.03 0.08 -0.03 0.00 0.00 0.00 0.00 53.44 53.46 1isk n ALA 28 Cb 0.42 -1.38 -0.01 0.00 0.00 0.00 0.00 19.45 18.47 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 -0.16 0.00 0.00 6.46 0.50 -3.46 115.31 118.65 1isk h LEU 29 Ca 0.00 0.01 -0.26 0.00 -0.12 0.00 0.00 57.88 57.51 1isk h LEU 29 Cb 0.35 0.04 0.07 0.00 -0.73 0.00 0.00 40.66 40.39 1isk h LEU 29 CO 0.00 -0.08 0.14 2.22 -0.62 0.00 0.00 178.44 180.10 1isk n PHE 30 N -2.72 -3.48 -0.26 1.25 1.16 -1.18 -4.68 117.46 107.56 1isk n PHE 30 Ca -0.02 -0.88 -0.11 0.00 -1.87 0.00 0.00 57.45 54.57 1isk n PHE 30 Cb 0.08 -0.49 0.11 0.00 -1.61 0.00 0.00 39.48 37.57 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 -3.17 -1.98 0.02 1.98 0.00 0.14 -4.75 120.51 112.75 1isk n ALA 31 Ca -0.11 -0.58 0.07 0.00 0.00 0.00 0.00 53.44 52.83 1isk n ALA 31 Cb 0.34 -0.05 -0.11 0.00 0.00 0.00 0.00 19.45 19.62 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 -2.18 1.57 -0.23 0.00 8.00 -1.26 -4.40 116.55 118.04 1isk n ASP 32 Ca 0.05 -0.03 0.09 0.00 0.71 0.00 0.00 54.79 55.60 1isk n ASP 32 Cb 0.23 1.65 0.15 0.00 -0.02 0.00 0.00 41.12 43.12 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 2.07 -4.51 -2.24 5.68 -1.26 -0.67 116.55 113.63 1isk n ASP 33 Ca -0.03 -3.20 -0.29 0.00 -0.50 0.00 0.00 54.79 50.78 1isk n ASP 33 Cb 0.38 -0.44 0.24 0.00 -1.14 0.00 0.00 41.12 40.17 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 -2.76 -0.29 -0.26 2.12 0.00 -1.26 -3.82 121.76 115.49 1isk s ALA 34 Ca 0.32 -0.02 0.02 0.00 0.00 0.00 0.00 51.96 52.28 1isk s ALA 34 Cb 0.29 -3.28 0.06 0.00 0.00 0.00 0.00 23.12 20.19 1isk s ALA 34 CO 0.00 -3.76 -0.10 0.95 0.00 0.00 0.00 175.76 172.86 1isk s THR 35 N -2.47 2.27 0.06 0.00 -4.23 -0.04 -1.22 115.64 110.01 1isk s THR 35 Ca 0.68 -1.59 -0.19 0.00 -1.18 0.00 0.00 61.69 59.41 1isk s THR 35 Cb -0.25 -2.32 -0.07 0.00 1.34 0.00 0.00 72.50 71.20 1isk s THR 35 CO 0.64 -0.03 0.55 -0.69 -0.54 0.00 0.00 174.62 174.56 1isk s VAL 36 N 1.12 4.77 -0.41 2.29 1.01 0.13 -0.81 120.40 128.51 1isk s VAL 36 Ca -0.08 1.18 0.09 0.00 0.00 0.00 0.00 61.98 63.17 1isk s VAL 36 Cb -0.20 -3.88 0.29 0.00 0.00 0.00 0.00 36.38 32.59 1isk s VAL 36 CO -0.05 0.56 0.62 -0.62 0.00 0.00 0.00 175.10 175.61 1isk n GLU 37 N 1.74 1.01 -4.02 2.72 1.02 0.23 -1.13 120.64 122.22 1isk n GLU 37 Ca -0.11 -3.43 -0.17 0.00 -0.02 0.00 0.00 57.16 53.43 1isk n GLU 37 Cb 0.51 -1.48 -0.16 0.00 -0.02 0.00 0.00 31.44 30.29 1isk n GLU 37 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 1isk s ASP 38 N -1.76 0.54 0.00 1.62 1.01 -1.26 -1.32 116.67 115.50 1isk s ASP 38 Ca 0.37 -0.06 0.00 0.00 0.71 0.00 0.00 52.55 53.57 1isk s ASP 38 Cb 0.23 -0.24 0.00 0.00 1.01 0.00 0.00 42.92 43.92 1isk s ASP 38 CO -0.09 -0.06 0.09 -0.81 0.21 0.00 0.00 175.17 174.50 1isk n PRO 39 N 3.87 0.00 -2.27 8.23 -0.04 -1.26 -4.96 135.00 138.56 1isk n PRO 39 Ca -0.24 0.00 -0.05 0.00 -0.04 0.00 0.00 63.50 63.18 1isk n PRO 39 Cb 0.52 -0.47 -0.00 0.00 -0.04 0.00 0.00 33.50 33.51 1isk n PRO 39 CO 0.00 0.00 0.00 0.28 -0.04 0.00 0.00 175.50 175.74 1isk n VAL 40 N -0.34 0.00 0.00 0.52 0.31 -1.25 -3.79 118.33 113.79 1isk n VAL 40 Ca 0.00 -0.54 0.00 0.00 -0.01 0.00 0.00 64.34 63.79 1isk n VAL 40 Cb 0.00 0.39 0.00 0.00 -0.91 0.00 0.00 33.84 33.32 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 -0.21 2.00 3.89 2.92 0.00 -1.26 -4.72 105.19 107.81 1isk n GLY 41 Ca -0.01 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.71 1isk n GLY 41 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1isk n SER 42 N 0.00 -2.30 -3.10 1.61 3.41 -1.26 -4.92 113.62 107.07 1isk n SER 42 Ca 0.00 -1.05 -0.17 0.00 -0.26 0.00 0.00 58.87 57.38 1isk n SER 42 Cb 0.00 -2.96 -0.02 0.00 -0.26 0.00 0.00 64.21 60.97 1isk n SER 42 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1isk n GLU 43 N -4.41 0.91 -1.56 4.33 1.02 -1.26 -5.13 120.64 114.54 1isk n GLU 43 Ca -0.22 -3.03 -0.31 0.00 -0.02 0.00 0.00 57.16 53.58 1isk n GLU 43 Cb 0.64 -1.48 0.06 0.00 -0.02 0.00 0.00 31.44 30.65 1isk n GLU 43 CO 0.00 0.00 0.00 -1.25 1.18 0.00 0.00 177.13 177.06 1isk s PRO 44 N -1.56 2.63 -0.05 3.49 0.04 -1.26 -4.85 135.00 133.44 1isk s PRO 44 Ca 0.36 0.84 -0.03 0.00 0.04 0.00 0.00 61.00 62.21 1isk s PRO 44 Cb 0.29 -1.96 0.03 0.00 0.04 0.00 0.00 34.50 32.89 1isk s PRO 44 CO -0.09 -1.29 0.10 -0.98 0.04 0.00 0.00 177.00 174.78 1isk s ARG 45 N -5.09 0.08 0.00 4.56 3.03 -0.28 -5.00 118.95 116.25 1isk s ARG 45 Ca 0.59 0.24 0.07 0.00 2.03 0.00 0.00 55.73 58.66 1isk s ARG 45 Cb -0.14 -0.10 -0.03 0.00 -1.03 0.00 0.00 34.95 33.66 1isk s ARG 45 CO 0.55 -0.10 -0.21 -1.54 -1.13 0.00 0.00 175.30 172.86 1isk s SER 46 N 0.70 3.54 0.00 -2.89 1.04 -1.26 0.22 113.70 115.05 1isk s SER 46 Ca -0.05 -0.41 0.00 0.00 0.48 0.00 0.00 55.95 55.96 1isk s SER 46 Cb -0.07 -0.53 0.00 0.00 0.10 0.00 0.00 66.02 65.51 1isk s SER 46 CO -0.03 0.29 0.00 0.61 0.98 0.00 0.00 173.24 175.09 1isk n GLY 47 N 2.00 2.58 0.21 7.32 0.00 -0.36 -4.38 105.19 112.57 1isk n GLY 47 Ca -0.16 -1.58 0.13 0.00 0.00 0.00 0.00 46.02 44.41 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 0.00 0.06 2.61 1.35 -1.18 0.44 112.91 116.18 1isk h THR 48 Ca 0.00 0.00 -0.00 0.00 -0.55 0.00 0.00 66.41 65.86 1isk h THR 48 Cb 0.00 0.58 0.00 0.00 -1.73 0.00 0.00 68.15 67.00 1isk h THR 48 CO 0.00 0.00 -0.03 0.00 -0.25 0.00 0.00 175.52 175.24 1isk h ALA 49 N 1.82 -0.23 0.00 6.62 0.00 -1.85 -0.97 119.26 124.65 1isk h ALA 49 Ca 0.00 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.88 1isk h ALA 49 Cb 0.14 0.03 -0.00 0.00 0.00 0.00 0.00 17.79 17.96 1isk h ALA 49 CO 0.00 -0.22 -0.05 0.00 0.00 0.00 0.00 179.25 178.98 1isk h ALA 50 N -1.75 1.49 0.07 0.00 0.00 -1.68 0.36 119.26 117.77 1isk h ALA 50 Ca -0.01 -0.04 -0.00 0.00 0.00 0.00 0.00 54.91 54.86 1isk h ALA 50 Cb 0.06 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.84 1isk h ALA 50 CO 0.01 0.06 -0.04 0.82 0.00 0.00 0.00 179.25 180.11 1isk h ILE 51 N 0.00 0.00 -0.58 0.00 2.04 -0.23 -1.41 117.51 117.33 1isk h ILE 51 Ca -0.00 -0.07 0.12 0.00 1.00 0.00 0.00 64.86 65.91 1isk h ILE 51 Cb 0.12 0.00 -0.03 0.00 -0.74 0.00 0.00 36.82 36.16 1isk h ILE 51 CO 0.01 0.00 0.40 -0.09 0.00 0.00 0.00 178.15 178.46 1isk h ARG 52 N -0.17 0.27 0.79 2.37 2.43 -1.04 -0.11 114.38 118.93 1isk h ARG 52 Ca -0.01 -0.02 -0.04 0.00 -0.81 0.00 0.00 59.98 59.10 1isk h ARG 52 Cb 0.08 -0.06 0.01 0.00 -0.42 0.00 0.00 29.97 29.57 1isk h ARG 52 CO 0.02 0.18 -0.38 0.93 -1.51 0.00 0.00 179.97 179.21 1isk h GLU 53 N 0.28 -1.03 0.10 0.20 5.08 -0.31 -0.28 114.58 118.62 1isk h GLU 53 Ca 0.28 0.07 0.02 0.00 -1.00 0.00 0.00 59.36 58.72 1isk h GLU 53 Cb 0.71 0.23 -0.03 0.00 0.50 0.00 0.00 28.75 30.16 1isk h GLU 53 CO -0.06 -0.68 -0.21 0.35 -1.00 0.00 0.00 179.01 177.40 1isk h PHE 54 N -1.09 -0.57 -0.97 4.33 3.04 -0.76 -1.10 116.94 119.83 1isk h PHE 54 Ca -0.11 0.01 0.23 0.00 3.98 0.00 0.00 57.97 62.08 1isk h PHE 54 Cb 0.82 0.24 -0.12 0.00 2.56 0.00 0.00 35.95 39.44 1isk h PHE 54 CO 0.04 -0.31 0.54 1.88 -2.02 0.00 0.00 178.31 178.44 1isk h TYR 55 N -0.40 0.92 0.39 0.41 0.05 -1.05 0.01 116.97 117.30 1isk h TYR 55 Ca 0.03 0.04 -0.02 0.00 0.05 0.00 0.00 58.73 58.83 1isk h TYR 55 Cb 0.42 -0.25 0.00 0.00 1.01 0.00 0.00 36.73 37.91 1isk h TYR 55 CO -0.21 0.05 -0.19 0.00 -1.05 0.00 0.00 178.16 176.76 1isk h ALA 56 N 1.71 -0.52 -0.99 3.88 0.00 -0.23 0.19 119.26 123.30 1isk h ALA 56 Ca 0.61 -0.16 0.28 0.00 0.00 0.00 0.00 54.91 55.64 1isk h ALA 56 Cb 1.14 0.20 -0.14 0.00 0.00 0.00 0.00 17.79 18.99 1isk h ALA 56 CO -0.48 -0.70 0.55 -0.97 0.00 0.00 0.00 179.25 177.65 1isk h ASN 57 N -0.71 0.54 0.12 0.00 -1.24 0.17 0.38 115.58 114.83 1isk h ASN 57 Ca -0.05 0.17 -0.01 0.00 0.71 0.00 0.00 56.30 57.12 1isk h ASN 57 Cb 0.50 0.10 0.00 0.00 0.73 0.00 0.00 38.32 39.65 1isk h ASN 57 CO 0.09 -0.03 -0.06 -1.28 -1.29 0.00 0.00 177.43 174.86 1isk h SER 58 N 0.43 -0.13 0.00 1.15 0.87 -0.76 -2.72 113.55 112.39 1isk h SER 58 Ca 0.67 -0.37 0.00 0.00 -1.23 0.00 0.00 61.79 60.86 1isk h SER 58 Cb 1.41 0.03 0.00 0.00 -0.44 0.00 0.00 62.40 63.40 1isk h SER 58 CO -0.55 0.33 0.26 -0.07 -0.53 0.00 0.00 176.83 176.28 1isk h LEU 59 N -0.64 0.00 -1.82 2.23 3.38 0.21 -1.48 115.31 117.19 1isk h LEU 59 Ca -0.02 0.00 0.50 0.00 0.09 0.00 0.00 57.88 58.45 1isk h LEU 59 Cb 0.49 0.00 -0.07 0.00 0.09 0.00 0.00 40.66 41.18 1isk h LEU 59 CO 0.03 0.00 1.33 0.50 0.09 0.00 0.00 178.44 180.38 1isk h LYS 60 N 0.00 0.00 -5.38 1.13 3.64 -0.06 -3.29 116.57 112.61 1isk h LYS 60 Ca 0.00 0.00 -0.65 0.00 -1.27 0.00 0.00 60.65 58.73 1isk h LYS 60 Cb 0.52 0.00 -0.15 0.00 -0.41 0.00 0.00 32.23 32.20 1isk h LYS 60 CO 0.00 0.00 0.08 -1.17 -2.27 0.00 0.00 179.45 176.09 1isk s LEU 61 N -7.64 4.41 -0.45 5.20 2.96 -0.56 -4.94 118.68 117.66 1isk s LEU 61 Ca -0.05 -0.14 -0.06 0.00 -0.22 0.00 0.00 54.13 53.67 1isk s LEU 61 Cb 0.24 -2.70 -0.15 0.00 0.50 0.00 0.00 46.19 44.07 1isk s LEU 61 CO 0.80 -0.66 2.71 -0.81 -1.32 0.00 0.00 176.35 177.08 1isk n PRO 62 N 6.07 1.97 -1.92 0.98 -0.04 -1.24 -4.85 135.00 135.96 1isk n PRO 62 Ca -0.02 -1.12 -0.18 0.00 -0.04 0.00 0.00 63.50 62.14 1isk n PRO 62 Cb 0.48 -2.14 0.10 0.00 -0.04 0.00 0.00 33.50 31.90 1isk n PRO 62 CO 0.00 0.00 0.00 1.47 -0.04 0.00 0.00 175.50 176.93 1isk n LEU 63 N 3.10 0.00 -4.37 1.53 -0.00 -1.26 -5.01 117.00 111.00 1isk n LEU 63 Ca 0.42 -1.46 -0.30 0.00 -0.00 0.00 0.00 56.01 54.68 1isk n LEU 63 Cb 0.50 -0.53 -0.14 0.00 -0.00 0.00 0.00 43.42 43.26 1isk n LEU 63 CO 0.38 -0.92 -0.57 0.00 -0.00 0.00 0.00 177.39 176.28 1isk s ALA 64 N -3.24 2.32 -0.01 1.47 0.00 0.50 -5.00 121.76 117.80 1isk s ALA 64 Ca 0.50 -1.35 0.03 0.00 0.00 0.00 0.00 51.96 51.14 1isk s ALA 64 Cb -0.02 -0.45 -0.01 0.00 0.00 0.00 0.00 23.12 22.64 1isk s ALA 64 CO 0.33 0.54 -0.11 0.08 0.00 0.00 0.00 175.76 176.61 1isk s VAL 65 N -0.92 0.84 0.11 0.00 1.01 -1.26 0.50 120.40 120.68 1isk s VAL 65 Ca 0.13 -0.45 -0.17 0.00 0.00 0.00 0.00 61.98 61.49 1isk s VAL 65 Cb -0.10 -0.71 0.04 0.00 0.00 0.00 0.00 36.38 35.61 1isk s VAL 65 CO 0.04 0.24 0.42 -1.83 0.00 0.00 0.00 175.10 173.96 1isk s GLU 66 N -0.22 1.04 0.51 2.72 -1.05 -0.60 -4.92 118.70 116.18 1isk s GLU 66 Ca 0.04 -0.61 -0.09 0.00 -0.15 0.00 0.00 54.97 54.16 1isk s GLU 66 Cb -0.04 0.46 -0.05 0.00 -0.44 0.00 0.00 34.13 34.06 1isk s GLU 66 CO -0.00 -0.40 0.87 -0.51 0.95 0.00 0.00 175.26 176.17 1isk s LEU 67 N -2.60 3.56 -0.04 1.83 1.43 -1.26 -0.19 118.68 121.41 1isk s LEU 67 Ca 0.01 1.18 0.01 0.00 -1.03 0.00 0.00 54.13 54.30 1isk s LEU 67 Cb 0.01 -4.14 0.05 0.00 0.03 0.00 0.00 46.19 42.14 1isk s LEU 67 CO -0.10 -0.62 0.48 1.07 0.23 0.00 0.00 176.35 177.41 1isk n THR 68 N -2.10 0.00 0.00 5.49 5.66 -1.26 -4.75 114.28 117.32 1isk n THR 68 Ca 0.03 -0.11 0.00 0.00 -3.05 0.00 0.00 64.05 60.92 1isk n THR 68 Cb 0.54 0.35 0.00 0.00 -1.55 0.00 0.00 70.33 69.67 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 -0.17 0.00 -3.88 1.09 0.00 -1.25 -4.95 117.38 108.22 1isk n GLN 69 Ca -0.06 0.00 0.00 0.00 -0.00 0.00 0.00 57.00 56.94 1isk n GLN 69 Cb 0.47 0.00 0.00 0.00 0.00 0.00 0.00 30.24 30.71 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 -1.69 -3.23 -4.21 3.69 1.02 -1.23 -5.03 120.64 109.97 1isk n GLU 70 Ca 0.00 0.00 -0.18 0.00 -0.02 0.00 0.00 57.16 56.96 1isk n GLU 70 Cb 0.00 0.00 -0.15 0.00 -0.02 0.00 0.00 31.44 31.27 1isk n GLU 70 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 1isk s VAL 71 N -2.33 0.53 -0.61 2.62 1.01 -1.26 -1.70 120.40 118.65 1isk s VAL 71 Ca 0.00 -0.21 -0.02 0.00 0.00 0.00 0.00 61.98 61.75 1isk s VAL 71 Cb 0.00 -0.49 0.16 0.00 0.00 0.00 0.00 36.38 36.04 1isk s VAL 71 CO 0.00 0.18 0.42 -0.60 0.00 0.00 0.00 175.10 175.10 1isk s ARG 72 N 0.33 2.50 -0.46 2.72 3.52 0.17 -4.91 118.95 122.82 1isk s ARG 72 Ca -0.04 -2.54 -0.22 0.00 -0.13 0.00 0.00 55.73 52.80 1isk s ARG 72 Cb -0.08 -3.69 0.03 0.00 -1.56 0.00 0.00 34.95 29.65 1isk s ARG 72 CO -0.00 -1.17 0.75 0.00 -0.81 0.00 0.00 175.30 174.08 1isk s ALA 73 N -0.08 3.30 0.11 6.12 0.00 -1.26 -0.25 121.76 129.69 1isk s ALA 73 Ca 0.17 -1.15 -0.25 0.00 0.00 0.00 0.00 51.96 50.73 1isk s ALA 73 Cb -0.21 -3.45 0.08 0.00 0.00 0.00 0.00 23.12 19.54 1isk s ALA 73 CO -0.03 -1.95 0.75 0.54 0.00 0.00 0.00 175.76 175.07 1isk s VAL 74 N 3.19 0.00 -1.23 0.00 0.11 0.14 -4.67 120.40 117.93 1isk s VAL 74 Ca 0.27 -0.13 -0.01 0.00 -2.93 0.00 0.00 61.98 59.18 1isk s VAL 74 Cb -0.13 -1.16 -0.00 0.00 -1.53 0.00 0.00 36.38 33.56 1isk s VAL 74 CO 0.20 0.00 0.88 0.00 -3.33 0.00 0.00 175.10 172.85 1isk n ALA 75 N -0.34 -2.05 -2.32 1.54 0.00 -1.26 -0.81 120.51 115.27 1isk n ALA 75 Ca -0.12 -0.10 -0.03 0.00 0.00 0.00 0.00 53.44 53.20 1isk n ALA 75 Cb 0.63 -2.39 -0.00 0.00 0.00 0.00 0.00 19.45 17.68 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 -3.10 -1.54 -3.82 0.00 3.02 -1.26 -4.85 115.26 103.71 1isk n ASN 76 Ca -0.28 0.39 -0.12 0.00 -0.03 0.00 0.00 54.58 54.53 1isk n ASN 76 Cb 0.67 -1.47 -0.12 0.00 -0.61 0.00 0.00 39.78 38.26 1isk n ASN 76 CO 0.00 0.00 0.00 -1.83 -2.62 0.00 0.00 177.26 172.81 1isk s GLU 77 N -4.67 0.28 -0.24 3.52 -1.05 0.01 -1.33 118.70 115.21 1isk s GLU 77 Ca 0.00 0.10 -0.08 0.00 -0.15 0.00 0.00 54.97 54.85 1isk s GLU 77 Cb 0.00 0.13 -0.03 0.00 -0.44 0.00 0.00 34.13 33.78 1isk s GLU 77 CO 0.00 -0.05 0.09 0.00 0.95 0.00 0.00 175.26 176.25 1isk s ALA 78 N -0.25 3.27 -0.29 -0.84 0.00 0.67 0.26 121.76 124.57 1isk s ALA 78 Ca -0.03 -1.04 0.01 0.00 0.00 0.00 0.00 51.96 50.89 1isk s ALA 78 Cb -0.03 -2.11 0.09 0.00 0.00 0.00 0.00 23.12 21.07 1isk s ALA 78 CO 0.01 -0.35 0.05 0.00 0.00 0.00 0.00 175.76 175.46 1isk s ALA 79 N 1.36 1.91 0.43 0.00 0.00 0.65 -1.38 121.76 124.72 1isk s ALA 79 Ca 0.05 -1.71 0.04 0.00 0.00 0.00 0.00 51.96 50.34 1isk s ALA 79 Cb -0.15 -1.62 -0.05 0.00 0.00 0.00 0.00 23.12 21.30 1isk s ALA 79 CO 0.04 -1.52 0.03 -0.59 0.00 0.00 0.00 175.76 173.72 1isk s PHE 80 N 1.42 2.15 -0.01 0.00 -0.71 0.97 0.42 117.98 122.22 1isk s PHE 80 Ca 0.05 -0.87 0.02 0.00 -1.04 0.00 0.00 56.93 55.10 1isk s PHE 80 Cb -0.18 -1.58 -0.00 0.00 -1.21 0.00 0.00 43.02 40.05 1isk s PHE 80 CO -0.15 0.23 -0.08 0.00 -1.34 0.00 0.00 175.22 173.88 1isk s ALA 81 N -2.91 0.70 0.32 1.99 0.00 -0.69 -0.24 121.76 120.93 1isk s ALA 81 Ca 0.25 -0.30 0.03 0.00 0.00 0.00 0.00 51.96 51.94 1isk s ALA 81 Cb 0.06 -0.23 -0.01 0.00 0.00 0.00 0.00 23.12 22.94 1isk s ALA 81 CO 0.13 0.14 0.36 1.97 0.00 0.00 0.00 175.76 178.35 1isk n PHE 82 N 3.11 -1.06 -4.24 0.00 -1.74 -0.77 -3.48 117.46 109.28 1isk n PHE 82 Ca -0.16 -2.42 -0.25 0.00 -0.56 0.00 0.00 57.45 54.06 1isk n PHE 82 Cb 0.56 0.39 -0.08 0.00 1.52 0.00 0.00 39.48 41.87 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 -3.03 2.46 -0.12 1.97 -4.23 0.73 -2.23 115.64 111.18 1isk s THR 83 Ca 0.32 -1.82 -0.05 0.00 -1.18 0.00 0.00 61.69 58.97 1isk s THR 83 Cb 0.00 -2.93 0.06 0.00 1.34 0.00 0.00 72.50 70.97 1isk s THR 83 CO 0.23 -0.09 0.25 0.68 -0.54 0.00 0.00 174.62 175.16 1isk s VAL 84 N -2.56 -0.27 -0.24 2.29 -7.23 0.19 -1.56 120.40 111.03 1isk s VAL 84 Ca 0.38 0.24 -0.11 0.00 -1.81 0.00 0.00 61.98 60.68 1isk s VAL 84 Cb 0.03 -0.41 -0.05 0.00 0.56 0.00 0.00 36.38 36.50 1isk s VAL 84 CO 0.21 0.10 0.17 -0.55 -0.31 0.00 0.00 175.10 174.72 1isk s SER 85 N 1.99 6.13 -0.12 4.85 0.15 0.18 -0.70 113.70 126.18 1isk s SER 85 Ca -0.03 0.13 -0.05 0.00 0.70 0.00 0.00 55.95 56.71 1isk s SER 85 Cb -0.11 -2.11 0.06 0.00 -1.71 0.00 0.00 66.02 62.14 1isk s SER 85 CO -0.08 0.06 0.26 0.72 1.20 0.00 0.00 173.24 175.40 1isk s PHE 86 N 1.05 -0.40 -0.25 3.44 -0.71 -0.33 -0.37 117.98 120.41 1isk s PHE 86 Ca 0.08 0.93 -0.28 0.00 -1.04 0.00 0.00 56.93 56.62 1isk s PHE 86 Cb -0.13 0.00 0.01 0.00 -1.21 0.00 0.00 43.02 41.68 1isk s PHE 86 CO 0.04 -0.32 0.98 -2.00 -1.34 0.00 0.00 175.22 172.59 1isk s GLU 87 N 2.01 4.19 0.26 1.99 2.12 -1.26 -1.49 118.70 126.51 1isk s GLU 87 Ca -0.03 1.16 0.02 0.00 0.36 0.00 0.00 54.97 56.49 1isk s GLU 87 Cb -0.11 -3.66 0.05 0.00 0.26 0.00 0.00 34.13 30.66 1isk s GLU 87 CO -0.09 -0.66 0.36 0.66 -0.54 0.00 0.00 175.26 174.99 1isk n TYR 88 N 6.34 -2.93 -1.51 5.30 4.01 0.18 -4.88 117.16 123.67 1isk n TYR 88 Ca 0.10 -0.79 -0.25 0.00 -0.16 0.00 0.00 57.90 56.80 1isk n TYR 88 Cb 0.47 -0.26 -0.19 0.00 -0.31 0.00 0.00 39.34 39.06 1isk n TYR 88 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1isk n GLN 89 N -1.62 0.12 -3.76 -0.72 10.64 -1.26 -0.53 117.38 120.25 1isk n GLN 89 Ca 0.07 -0.12 -0.26 0.00 -1.83 0.00 0.00 57.00 54.86 1isk n GLN 89 Cb 0.24 -1.55 0.02 0.00 -0.86 0.00 0.00 30.24 28.09 1isk n GLN 89 CO 0.00 0.00 0.00 0.41 -1.83 0.00 0.00 177.06 175.64 1isk n GLY 90 N 5.88 -0.53 3.71 2.61 0.00 -1.26 -4.96 105.19 110.66 1isk n GLY 90 Ca 0.64 0.26 -0.03 0.00 0.00 0.00 0.00 46.02 46.88 1isk n GLY 90 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1isk s ARG 91 N -6.10 1.04 -0.15 1.61 0.52 0.31 -5.11 118.95 111.07 1isk s ARG 91 Ca 0.17 -0.56 -0.01 0.00 -0.52 0.00 0.00 55.73 54.81 1isk s ARG 91 Cb -0.06 0.36 0.04 0.00 0.52 0.00 0.00 34.95 35.81 1isk s ARG 91 CO 0.85 -0.47 -0.06 0.21 0.02 0.00 0.00 175.30 175.85 1isk s LYS 92 N -3.13 1.45 0.01 3.54 2.20 -0.30 0.48 119.74 123.99 1isk s LYS 92 Ca 0.12 -0.42 0.08 0.00 -0.36 0.00 0.00 55.97 55.39 1isk s LYS 92 Cb -0.00 -1.86 -0.03 0.00 -1.51 0.00 0.00 37.83 34.43 1isk s LYS 92 CO 0.00 -0.38 -0.23 0.99 -0.36 0.00 0.00 175.35 175.38 1isk s THR 93 N 1.66 2.35 -0.16 3.43 2.01 -0.56 0.55 115.64 124.93 1isk s THR 93 Ca 0.02 -1.17 0.00 0.00 0.31 0.00 0.00 61.69 60.85 1isk s THR 93 Cb -0.14 -1.90 0.03 0.00 0.01 0.00 0.00 72.50 70.50 1isk s THR 93 CO -0.08 0.46 -0.10 0.54 -0.69 0.00 0.00 174.62 174.75 1isk s VAL 94 N -0.75 1.38 0.31 3.82 0.11 -0.48 -1.18 120.40 123.61 1isk s VAL 94 Ca 0.12 -0.65 0.06 0.00 -2.93 0.00 0.00 61.98 58.58 1isk s VAL 94 Cb -0.10 -1.40 -0.02 0.00 -1.53 0.00 0.00 36.38 33.33 1isk s VAL 94 CO 0.01 0.31 0.42 -0.69 -3.33 0.00 0.00 175.10 171.83 1isk s VAL 95 N 1.54 4.40 -0.50 2.04 1.01 0.12 0.34 120.40 129.35 1isk s VAL 95 Ca 0.03 -1.02 0.05 0.00 0.00 0.00 0.00 61.98 61.04 1isk s VAL 95 Cb -0.14 -3.53 0.20 0.00 0.00 0.00 0.00 36.38 32.91 1isk s VAL 95 CO -0.09 -0.21 0.46 0.00 0.00 0.00 0.00 175.10 175.26 1isk n ALA 96 N -1.55 3.03 -1.64 5.51 0.00 0.12 0.57 120.51 126.55 1isk n ALA 96 Ca -0.03 -3.67 -0.32 0.00 0.00 0.00 0.00 53.44 49.42 1isk n ALA 96 Cb 0.58 -0.84 0.02 0.00 0.00 0.00 0.00 19.45 19.21 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 -0.83 3.22 -0.17 0.00 0.04 -0.95 -4.78 135.00 131.53 1isk s PRO 97 Ca 0.32 1.08 0.01 0.00 0.04 0.00 0.00 61.00 62.45 1isk s PRO 97 Cb 0.06 -2.02 0.02 0.00 0.04 0.00 0.00 34.50 32.59 1isk s PRO 97 CO -0.15 -0.88 -0.20 0.42 0.04 0.00 0.00 177.00 176.23 1isk s ILE 98 N -2.72 2.12 -0.03 0.56 1.01 0.72 -1.84 121.20 121.01 1isk s ILE 98 Ca 0.61 -0.93 -0.13 0.00 0.00 0.00 0.00 60.65 60.20 1isk s ILE 98 Cb -0.15 -1.88 -0.05 0.00 0.01 0.00 0.00 42.46 40.39 1isk s ILE 98 CO 0.44 0.54 0.34 -1.81 0.00 0.00 0.00 174.94 174.44 1isk s ASP 99 N 1.20 6.70 -0.28 3.58 1.01 0.67 -1.34 116.67 128.20 1isk s ASP 99 Ca 0.03 0.83 0.00 0.00 0.71 0.00 0.00 52.55 54.12 1isk s ASP 99 Cb -0.14 -2.20 0.17 0.00 1.01 0.00 0.00 42.92 41.76 1isk s ASP 99 CO -0.11 0.35 0.50 -2.28 0.21 0.00 0.00 175.17 173.85 1isk s HIS 100 N -1.06 -1.34 0.08 4.23 5.65 0.42 -0.02 115.29 123.25 1isk s HIS 100 Ca 0.21 1.12 0.03 0.00 0.25 0.00 0.00 55.06 56.68 1isk s HIS 100 Cb -0.15 0.25 -0.03 0.00 -1.18 0.00 0.00 32.58 31.46 1isk s HIS 100 CO 0.11 -0.89 -0.09 -0.59 -0.65 0.00 0.00 174.74 172.63 1isk s PHE 101 N 2.71 0.90 -0.03 3.88 -0.12 -0.48 -0.88 117.98 123.97 1isk s PHE 101 Ca 0.15 -0.64 0.06 0.00 -0.05 0.00 0.00 56.93 56.45 1isk s PHE 101 Cb -0.14 -0.51 -0.02 0.00 -0.63 0.00 0.00 43.02 41.72 1isk s PHE 101 CO -0.22 -0.06 -0.22 1.03 -0.05 0.00 0.00 175.22 175.70 1isk s ARG 102 N -2.51 2.25 0.16 1.99 0.52 -0.14 -0.24 118.95 120.98 1isk s ARG 102 Ca 0.01 -0.85 -0.11 0.00 -0.52 0.00 0.00 55.73 54.26 1isk s ARG 102 Cb -0.04 -2.16 0.00 0.00 0.52 0.00 0.00 34.95 33.27 1isk s ARG 102 CO -0.01 0.58 0.32 -0.59 0.02 0.00 0.00 175.30 175.62 1isk s PHE 103 N -0.64 0.23 -0.50 -0.53 -0.12 -0.44 -3.33 117.98 112.65 1isk s PHE 103 Ca 0.10 -0.60 0.03 0.00 -0.05 0.00 0.00 56.93 56.42 1isk s PHE 103 Cb -0.10 0.05 0.13 0.00 -0.63 0.00 0.00 43.02 42.47 1isk s PHE 103 CO -0.00 -0.73 0.26 1.21 -0.05 0.00 0.00 175.22 175.91 1isk s ASN 104 N -2.92 4.04 0.00 1.98 3.04 -0.45 -4.66 114.94 115.97 1isk s ASN 104 Ca 0.13 -2.90 0.00 0.00 0.04 0.00 0.00 52.86 50.13 1isk s ASN 104 Cb 0.03 -1.39 0.00 0.00 -1.54 0.00 0.00 41.25 38.35 1isk s ASN 104 CO -0.03 -0.24 0.00 0.61 -3.04 0.00 0.00 177.10 174.40 1isk n GLY 105 N 3.22 0.04 0.32 1.21 0.00 -1.26 0.20 105.19 108.91 1isk n GLY 105 Ca 0.07 0.01 -0.09 0.00 0.00 0.00 0.00 46.02 46.01 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 -0.60 -0.82 4.61 0.00 -2.03 0.31 119.26 120.74 1isk h ALA 106 Ca 0.00 0.01 0.31 0.00 0.00 0.00 0.00 54.91 55.24 1isk h ALA 106 Cb 0.00 1.05 -0.15 0.00 0.00 0.00 0.00 17.79 18.69 1isk h ALA 106 CO 0.00 -0.81 0.33 0.41 0.00 0.00 0.00 179.25 179.19 1isk n GLY 107 N -1.25 -0.74 2.32 0.00 0.00 0.53 -4.87 105.19 101.18 1isk n GLY 107 Ca -0.02 0.70 0.00 0.00 0.00 0.00 0.00 46.02 46.70 1isk n GLY 107 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1isk n LYS 108 N -4.92 0.00 -2.99 1.61 3.00 0.11 -4.60 118.16 110.37 1isk n LYS 108 Ca 0.28 0.00 -0.41 0.00 -0.00 0.00 0.00 58.31 58.18 1isk n LYS 108 Cb 0.94 0.00 -0.05 0.00 0.00 0.00 0.00 35.03 35.92 1isk n LYS 108 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.40 177.48 1isk s VAL 109 N -0.47 4.93 -0.21 3.15 1.01 -1.26 -1.34 120.40 126.21 1isk s VAL 109 Ca 0.00 1.43 0.02 0.00 0.00 0.00 0.00 61.98 63.43 1isk s VAL 109 Cb 0.00 -4.05 0.01 0.00 0.00 0.00 0.00 36.38 32.34 1isk s VAL 109 CO 0.00 0.05 0.51 0.52 0.00 0.00 0.00 175.10 176.18 1isk n VAL 110 N 4.80 0.00 -3.71 2.92 0.31 -1.22 0.24 118.33 121.67 1isk n VAL 110 Ca 0.02 -0.50 -0.13 0.00 -0.01 0.00 0.00 64.34 63.73 1isk n VAL 110 Cb 0.49 1.03 -0.13 0.00 -0.91 0.00 0.00 33.84 34.32 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 -0.23 -0.12 -0.05 4.52 0.01 -1.21 -0.86 113.70 115.75 1isk s SER 111 Ca 0.02 0.57 -0.04 0.00 1.31 0.00 0.00 55.95 57.81 1isk s SER 111 Cb 0.01 0.51 0.01 0.00 0.21 0.00 0.00 66.02 66.77 1isk s SER 111 CO 0.03 -0.19 0.12 -0.04 0.41 0.00 0.00 173.24 173.57 1isk s MET 112 N 1.58 0.13 -0.06 12.44 1.00 0.01 -0.97 119.30 133.43 1isk s MET 112 Ca -0.07 0.19 -0.06 0.00 0.00 0.00 0.00 55.69 55.76 1isk s MET 112 Cb -0.11 0.03 0.01 0.00 0.00 0.00 0.00 34.83 34.77 1isk s MET 112 CO -0.09 -0.04 0.16 -0.98 0.00 0.00 0.00 175.02 174.07 1isk s ARG 113 N 0.21 0.20 -0.01 2.03 1.70 -0.05 0.76 118.95 123.79 1isk s ARG 113 Ca -0.01 0.18 0.00 0.00 -0.47 0.00 0.00 55.73 55.43 1isk s ARG 113 Cb -0.02 0.10 0.01 0.00 -0.57 0.00 0.00 34.95 34.47 1isk s ARG 113 CO -0.01 -0.03 0.01 0.00 -1.08 0.00 0.00 175.30 174.20 1isk s ALA 114 N -0.01 0.04 -0.07 7.88 0.00 -0.43 -0.44 121.76 128.73 1isk s ALA 114 Ca -0.01 0.11 0.05 0.00 0.00 0.00 0.00 51.96 52.12 1isk s ALA 114 Cb -0.02 -0.10 -0.01 0.00 0.00 0.00 0.00 23.12 23.00 1isk s ALA 114 CO 0.00 -0.04 -0.24 -0.51 0.00 0.00 0.00 175.76 174.97 1isk s LEU 115 N 0.41 2.06 0.34 0.00 1.02 -0.45 -3.74 118.68 118.30 1isk s LEU 115 Ca -0.03 -0.51 -0.03 0.00 0.02 0.00 0.00 54.13 53.58 1isk s LEU 115 Cb -0.05 -1.34 0.00 0.00 0.02 0.00 0.00 46.19 44.82 1isk s LEU 115 CO -0.01 0.21 0.46 0.72 0.02 0.00 0.00 176.35 177.75 1isk s PHE 116 N -0.01 1.06 0.15 0.29 -0.71 -1.26 -0.20 117.98 117.30 1isk s PHE 116 Ca -0.08 -1.29 0.00 0.00 -1.04 0.00 0.00 56.93 54.53 1isk s PHE 116 Cb -0.15 -0.10 0.00 0.00 -1.21 0.00 0.00 43.02 41.56 1isk s PHE 116 CO 0.05 -1.11 0.00 0.41 -1.34 0.00 0.00 175.22 173.23 1isk n GLY 117 N -0.55 -1.91 2.70 1.99 0.00 -1.26 -4.93 105.19 101.23 1isk n GLY 117 Ca 0.01 -1.29 -0.06 0.00 0.00 0.00 0.00 46.02 44.68 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 -2.46 -1.33 0.00 1.61 -0.58 -1.26 -3.10 120.64 113.52 1isk n GLU 118 Ca 0.00 0.89 0.00 0.00 -0.42 0.00 0.00 57.16 57.63 1isk n GLU 118 Cb 0.29 -4.61 0.00 0.00 -0.57 0.00 0.00 31.44 26.55 1isk n GLU 118 CO 0.00 0.00 0.00 1.63 -0.48 0.00 0.00 177.13 178.28 1isk n LYS 119 N -2.23 0.00 0.05 3.49 5.02 -1.26 -4.81 118.16 118.43 1isk n LYS 119 Ca -0.03 0.00 0.11 0.00 -2.02 0.00 0.00 58.31 56.37 1isk n LYS 119 Cb 0.55 -0.59 0.44 0.00 -0.02 0.00 0.00 35.03 35.41 1isk n LYS 119 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 1isk n ASN 120 N 0.00 0.31 -4.84 4.39 3.02 -1.18 -4.69 115.26 112.27 1isk n ASN 120 Ca 0.00 0.56 -0.38 0.00 -0.03 0.00 0.00 54.58 54.73 1isk n ASN 120 Cb 0.00 -0.63 -0.06 0.00 -0.61 0.00 0.00 39.78 38.48 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 5.14 -0.40 2.41 1.09 -1.26 0.16 121.20 125.24 1isk s ILE 121 Ca 0.08 0.70 0.01 0.00 -1.10 0.00 0.00 60.65 60.34 1isk s ILE 121 Cb 0.12 -3.64 0.14 0.00 -1.06 0.00 0.00 42.46 38.01 1isk s ILE 121 CO 0.41 0.58 0.22 -1.00 -0.10 0.00 0.00 174.94 175.05 1isk s HIS 122 N -0.97 1.39 0.84 3.97 3.76 0.15 -4.96 115.29 119.47 1isk s HIS 122 Ca 0.22 -2.05 -0.11 0.00 -0.15 0.00 0.00 55.06 52.97 1isk s HIS 122 Cb -0.16 -1.43 0.10 0.00 1.11 0.00 0.00 32.58 32.20 1isk s HIS 122 CO 0.11 -0.80 1.13 0.00 -0.85 0.00 0.00 174.74 174.32 1isk s ALA 123 N 0.69 1.86 0.00 -1.40 0.00 -1.26 -1.38 121.76 120.28 1isk s ALA 123 Ca 0.18 0.48 0.00 0.00 0.00 0.00 0.00 51.96 52.62 1isk s ALA 123 Cb -0.24 -3.38 0.00 0.00 0.00 0.00 0.00 23.12 19.51 1isk s ALA 123 CO 0.01 -2.26 0.00 0.41 0.00 0.00 0.00 175.76 173.92 1isk n GLY 124 N -0.37 -0.97 2.62 0.00 0.00 0.19 -4.85 105.19 101.80 1isk n GLY 124 Ca 0.11 -1.00 0.00 0.00 0.00 0.00 0.00 46.02 45.13 1isk n GLY 124 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32