#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 -8.86 -4.95 3.17 4.05 -1.26 -3.56 115.26 103.86 1isk n ASN 2 Ca 0.00 1.24 -0.26 0.00 0.45 0.00 0.00 54.58 56.01 1isk n ASN 2 Cb 0.00 -4.56 -0.03 0.00 1.23 0.00 0.00 39.78 36.42 1isk n ASN 2 CO 0.00 0.00 0.00 0.42 -3.05 0.00 0.00 177.26 174.63 1isk s THR 3 N -1.95 5.32 0.12 -0.44 -4.23 -1.26 -4.70 115.64 108.51 1isk s THR 3 Ca 0.00 -0.69 0.14 0.00 -1.18 0.00 0.00 61.69 59.96 1isk s THR 3 Cb 0.00 -3.75 0.03 0.00 1.34 0.00 0.00 72.50 70.12 1isk s THR 3 CO 0.00 -0.10 1.58 1.55 -0.54 0.00 0.00 174.62 177.11 1isk h PRO 4 N 2.11 0.00 -0.18 3.99 0.13 -1.93 -1.29 132.00 134.83 1isk h PRO 4 Ca -0.49 0.00 -0.05 0.00 -0.87 0.00 0.00 66.00 64.59 1isk h PRO 4 Cb 1.20 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.32 1isk h PRO 4 CO 0.68 0.56 -0.10 1.05 -0.23 0.00 0.00 178.00 179.96 1isk h GLU 5 N 0.00 0.39 -0.04 0.86 4.11 -1.97 0.39 114.58 118.32 1isk h GLU 5 Ca -0.01 -0.18 -0.02 0.00 0.07 0.00 0.00 59.36 59.23 1isk h GLU 5 Cb 1.18 -0.01 -0.00 0.00 0.50 0.00 0.00 28.75 30.42 1isk h GLU 5 CO 0.07 0.70 -0.04 1.25 0.07 0.00 0.00 179.01 181.06 1isk h HIS 6 N 0.07 0.11 0.97 2.06 2.76 -1.97 -0.05 115.15 119.10 1isk h HIS 6 Ca 0.04 -0.04 -0.05 0.00 -2.20 0.00 0.00 60.37 58.13 1isk h HIS 6 Cb 0.59 -0.02 0.01 0.00 1.55 0.00 0.00 27.41 29.53 1isk h HIS 6 CO 0.07 0.58 -0.47 0.52 -1.30 0.00 0.00 177.93 177.33 1isk h MET 7 N -0.39 -1.26 -0.81 5.26 2.86 -1.27 -0.04 114.93 119.28 1isk h MET 7 Ca 0.00 0.09 0.11 0.00 -2.06 0.00 0.00 59.70 57.84 1isk h MET 7 Cb 0.57 0.29 -0.08 0.00 0.06 0.00 0.00 31.60 32.43 1isk h MET 7 CO 0.01 -0.84 0.44 1.15 1.06 0.00 0.00 176.91 178.73 1isk h THR 8 N -1.32 0.84 -0.91 2.22 2.02 -0.33 0.86 112.91 116.29 1isk h THR 8 Ca -0.13 -0.24 0.05 0.00 0.77 0.00 0.00 66.41 66.86 1isk h THR 8 Cb 1.00 0.08 -0.06 0.00 -1.74 0.00 0.00 68.15 67.42 1isk h THR 8 CO 0.22 0.13 0.58 0.00 0.37 0.00 0.00 175.52 176.82 1isk h ALA 9 N 1.48 1.25 -0.28 6.16 0.00 -0.83 0.11 119.26 127.14 1isk h ALA 9 Ca 0.41 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 55.29 1isk h ALA 9 Cb 0.45 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.95 1isk h ALA 9 CO -0.29 0.37 0.13 0.28 0.00 0.00 0.00 179.25 179.75 1isk h VAL 10 N 1.08 1.15 -0.92 0.00 2.07 0.11 0.12 116.25 119.86 1isk h VAL 10 Ca 0.39 -0.44 0.05 0.00 0.82 0.00 0.00 66.70 67.52 1isk h VAL 10 Cb 0.12 0.93 -0.06 0.00 -1.52 0.00 0.00 31.29 30.76 1isk h VAL 10 CO -0.16 0.16 0.59 0.58 0.02 0.00 0.00 177.57 178.76 1isk h VAL 11 N 0.32 1.10 0.73 2.57 2.07 -0.13 0.24 116.25 123.15 1isk h VAL 11 Ca 0.10 -0.38 -0.04 0.00 0.82 0.00 0.00 66.70 67.20 1isk h VAL 11 Cb 0.12 -0.10 0.01 0.00 -1.52 0.00 0.00 31.29 29.80 1isk h VAL 11 CO -0.01 0.20 -0.35 -0.61 0.02 0.00 0.00 177.57 176.82 1isk h GLN 12 N 1.10 -0.94 -0.84 1.57 4.15 -0.29 -0.07 115.11 119.79 1isk h GLN 12 Ca 0.39 0.06 0.18 0.00 0.77 0.00 0.00 58.65 60.05 1isk h GLN 12 Cb 0.10 0.21 -0.06 0.00 0.21 0.00 0.00 27.48 27.94 1isk h GLN 12 CO -0.15 -0.61 0.56 -0.09 -1.93 0.00 0.00 178.83 176.61 1isk h ARG 13 N -1.17 0.40 -0.16 1.69 2.43 -0.51 -0.14 114.38 116.92 1isk h ARG 13 Ca -0.10 -0.02 -0.03 0.00 -0.81 0.00 0.00 59.98 59.01 1isk h ARG 13 Cb 0.77 -0.09 -0.01 0.00 -0.42 0.00 0.00 29.97 30.23 1isk h ARG 13 CO 0.16 0.27 -0.03 -0.92 -1.51 0.00 0.00 179.97 177.94 1isk h TYR 14 N 0.42 0.35 -0.18 2.20 5.03 -0.29 -0.84 116.97 123.65 1isk h TYR 14 Ca 0.43 -0.07 0.04 0.00 2.58 0.00 0.00 58.73 61.70 1isk h TYR 14 Cb 1.03 -0.09 -0.04 0.00 1.55 0.00 0.00 36.73 39.19 1isk h TYR 14 CO -0.00 0.58 -0.05 0.28 -1.32 0.00 0.00 178.16 177.64 1isk h VAL 15 N 0.02 0.80 0.29 1.81 2.07 0.74 0.35 116.25 122.33 1isk h VAL 15 Ca 0.04 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.56 1isk h VAL 15 Cb 0.46 0.80 -0.02 0.00 -1.52 0.00 0.00 31.29 31.00 1isk h VAL 15 CO 0.02 0.00 -0.31 0.00 0.02 0.00 0.00 177.57 177.29 1isk h ALA 16 N 1.16 -0.65 -1.00 1.67 0.00 -1.19 0.00 119.26 119.26 1isk h ALA 16 Ca 0.09 -0.10 0.19 0.00 0.00 0.00 0.00 54.91 55.09 1isk h ALA 16 Cb 0.15 0.45 -0.11 0.00 0.00 0.00 0.00 17.79 18.29 1isk h ALA 16 CO -0.20 -0.90 0.61 0.00 0.00 0.00 0.00 179.25 178.76 1isk h ALA 17 N -0.08 1.66 0.40 0.00 0.00 -0.73 0.29 119.26 120.79 1isk h ALA 17 Ca -0.01 0.08 -0.01 0.00 0.00 0.00 0.00 54.91 54.97 1isk h ALA 17 Cb 0.59 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.29 1isk h ALA 17 CO -0.07 -0.05 -0.27 1.25 0.00 0.00 0.00 179.25 180.10 1isk h LEU 18 N 0.76 -0.69 -2.70 0.00 5.85 0.86 0.32 115.31 119.70 1isk h LEU 18 Ca 0.58 0.05 -0.00 0.00 0.84 0.00 0.00 57.88 59.34 1isk h LEU 18 Cb 0.90 0.21 -0.00 0.00 0.37 0.00 0.00 40.66 42.14 1isk h LEU 18 CO -0.39 -0.42 -0.01 -1.13 -0.34 0.00 0.00 178.44 176.16 1isk h ASN 19 N -0.65 0.00 1.61 1.25 -1.24 0.75 0.38 115.58 117.67 1isk h ASN 19 Ca -0.04 0.00 -0.05 0.00 0.71 0.00 0.00 56.30 56.92 1isk h ASN 19 Cb 0.55 0.00 -0.01 0.00 0.73 0.00 0.00 38.32 39.59 1isk h ASN 19 CO 0.02 0.01 -0.40 0.00 -1.29 0.00 0.00 177.43 175.77 1isk h ALA 20 N 1.99 0.80 0.00 1.57 0.00 0.13 -3.47 119.26 120.27 1isk h ALA 20 Ca -0.00 -0.22 0.00 0.00 0.00 0.00 0.00 54.91 54.69 1isk h ALA 20 Cb 0.05 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.83 1isk h ALA 20 CO 0.00 0.29 0.00 0.41 0.00 0.00 0.00 179.25 179.95 1isk n GLY 21 N 1.18 0.43 3.56 0.00 0.00 0.13 -4.97 105.19 105.51 1isk n GLY 21 Ca 0.02 -0.96 -0.39 0.00 0.00 0.00 0.00 46.02 44.69 1isk n GLY 21 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1isk s ASP 22 N -2.87 6.11 -0.09 1.61 2.15 -0.39 -4.80 116.67 118.39 1isk s ASP 22 Ca 0.00 -0.87 -0.26 0.00 0.43 0.00 0.00 52.55 51.85 1isk s ASP 22 Cb 0.00 -2.56 -0.22 0.00 -0.30 0.00 0.00 42.92 39.84 1isk s ASP 22 CO 0.00 -1.85 0.93 -0.07 -0.17 0.00 0.00 175.17 174.01 1isk h LEU 23 N 13.84 -0.02 0.09 -1.34 3.38 -1.93 -0.68 115.31 128.65 1isk h LEU 23 Ca -0.01 -0.72 0.02 0.00 0.09 0.00 0.00 57.88 57.27 1isk h LEU 23 Cb 1.04 0.01 -0.04 0.00 0.09 0.00 0.00 40.66 41.75 1isk h LEU 23 CO 1.33 0.73 -0.33 0.44 0.09 0.00 0.00 178.44 180.71 1isk h ASP 24 N -0.81 -0.97 0.57 -0.43 3.32 -1.99 0.22 116.42 116.33 1isk h ASP 24 Ca -0.00 0.12 -0.02 0.00 0.02 0.00 0.00 57.03 57.14 1isk h ASP 24 Cb 0.74 0.37 -0.01 0.00 0.22 0.00 0.00 39.33 40.65 1isk h ASP 24 CO 0.00 -0.41 -0.37 1.23 -1.72 0.00 0.00 179.24 177.97 1isk h GLY 25 N -0.54 -0.98 -0.41 2.75 0.00 -1.96 -0.25 103.07 101.68 1isk h GLY 25 Ca 0.04 0.42 0.30 0.00 0.00 0.00 0.00 47.33 48.09 1isk h GLY 25 CO -0.22 -0.35 0.62 -2.22 0.00 0.00 0.00 176.54 174.37 1isk h ILE 26 N -0.90 0.39 -0.37 2.60 2.04 -0.90 1.05 117.51 121.42 1isk h ILE 26 Ca -0.07 -0.13 -0.05 0.00 1.00 0.00 0.00 64.86 65.61 1isk h ILE 26 Cb 0.74 -0.04 -0.01 0.00 -0.74 0.00 0.00 36.82 36.77 1isk h ILE 26 CO 0.05 0.07 0.02 0.58 0.00 0.00 0.00 178.15 178.88 1isk h VAL 27 N 0.39 1.25 0.00 1.67 2.07 0.19 -1.69 116.25 120.13 1isk h VAL 27 Ca 0.70 -0.94 0.00 0.00 0.82 0.00 0.00 66.70 67.28 1isk h VAL 27 Cb 1.60 1.14 0.00 0.00 -1.52 0.00 0.00 31.29 32.51 1isk h VAL 27 CO -0.51 0.31 0.00 0.00 0.02 0.00 0.00 177.57 177.40 1isk h ALA 28 N 0.88 1.00 -0.74 1.67 0.00 0.26 -2.56 119.26 119.78 1isk h ALA 28 Ca 0.11 0.00 0.05 0.00 0.00 0.00 0.00 54.91 55.06 1isk h ALA 28 Cb 0.43 0.00 -0.05 0.00 0.00 0.00 0.00 17.79 18.17 1isk h ALA 28 CO 0.01 0.00 0.45 1.25 0.00 0.00 0.00 179.25 180.96 1isk h LEU 29 N 0.00 0.71 0.00 0.00 6.46 0.82 -3.44 115.31 119.86 1isk h LEU 29 Ca 0.00 0.01 -0.40 0.00 -0.12 0.00 0.00 57.88 57.37 1isk h LEU 29 Cb 0.33 -0.14 -0.06 0.00 -0.73 0.00 0.00 40.66 40.05 1isk h LEU 29 CO 0.00 0.48 -0.26 2.22 -0.62 0.00 0.00 178.44 180.26 1isk n PHE 30 N -4.68 0.17 -0.51 1.25 1.16 -0.96 -4.78 117.46 109.11 1isk n PHE 30 Ca 0.09 -1.54 -0.18 0.00 -1.87 0.00 0.00 57.45 53.95 1isk n PHE 30 Cb 0.13 -0.24 0.15 0.00 -1.61 0.00 0.00 39.48 37.92 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 -2.08 -0.78 0.15 1.98 0.00 0.41 -4.93 120.51 115.26 1isk n ALA 31 Ca -0.13 -1.06 0.08 0.00 0.00 0.00 0.00 53.44 52.34 1isk n ALA 31 Cb 0.40 -0.88 -0.12 0.00 0.00 0.00 0.00 19.45 18.85 1isk n ALA 31 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 1isk n ASP 32 N -1.45 1.14 -0.54 0.00 5.68 -1.26 -4.33 116.55 115.79 1isk n ASP 32 Ca 0.06 -0.19 0.06 0.00 -0.50 0.00 0.00 54.79 54.22 1isk n ASP 32 Cb 0.35 1.59 0.19 0.00 -1.14 0.00 0.00 41.12 42.11 1isk n ASP 32 CO 0.00 0.00 0.00 0.47 -1.33 0.00 0.00 177.20 176.34 1isk n ASP 33 N -1.92 2.28 -4.77 -1.12 8.00 -1.26 -0.35 116.55 117.40 1isk n ASP 33 Ca -0.02 -3.51 -0.29 0.00 0.71 0.00 0.00 54.79 51.68 1isk n ASP 33 Cb 0.39 -0.51 0.14 0.00 -0.02 0.00 0.00 41.12 41.11 1isk n ASP 33 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1isk s ALA 34 N -3.07 1.72 -0.10 2.24 0.00 -1.26 -4.37 121.76 116.92 1isk s ALA 34 Ca 0.37 -0.52 0.02 0.00 0.00 0.00 0.00 51.96 51.83 1isk s ALA 34 Cb 0.34 -3.04 0.01 0.00 0.00 0.00 0.00 23.12 20.44 1isk s ALA 34 CO -0.01 -2.32 -0.15 0.95 0.00 0.00 0.00 175.76 174.23 1isk s THR 35 N -3.26 1.48 0.05 0.00 -4.23 0.06 -0.63 115.64 109.11 1isk s THR 35 Ca 0.64 -0.63 0.03 0.00 -1.18 0.00 0.00 61.69 60.55 1isk s THR 35 Cb -0.15 -1.35 -0.04 0.00 1.34 0.00 0.00 72.50 72.31 1isk s THR 35 CO 0.54 0.44 0.01 -0.69 -0.54 0.00 0.00 174.62 174.37 1isk s VAL 36 N 0.95 4.16 -0.27 2.29 1.01 0.76 0.23 120.40 129.53 1isk s VAL 36 Ca -0.08 -0.80 -0.03 0.00 0.00 0.00 0.00 61.98 61.07 1isk s VAL 36 Cb -0.15 -2.94 0.09 0.00 0.00 0.00 0.00 36.38 33.38 1isk s VAL 36 CO -0.01 0.22 0.10 -1.61 0.00 0.00 0.00 175.10 173.80 1isk s GLU 37 N -2.04 0.40 -0.08 2.72 2.02 0.25 -0.42 118.70 121.55 1isk s GLU 37 Ca 0.24 -0.63 -0.03 0.00 0.02 0.00 0.00 54.97 54.57 1isk s GLU 37 Cb -0.12 -1.62 0.04 0.00 0.10 0.00 0.00 34.13 32.53 1isk s GLU 37 CO 0.16 -0.92 0.14 0.34 0.02 0.00 0.00 175.26 175.01 1isk s ASP 38 N 1.92 0.64 0.00 -0.19 -1.08 -1.26 -1.39 116.67 115.30 1isk s ASP 38 Ca 0.07 0.30 0.00 0.00 -0.52 0.00 0.00 52.55 52.40 1isk s ASP 38 Cb -0.17 0.21 0.00 0.00 -1.46 0.00 0.00 42.92 41.51 1isk s ASP 38 CO -0.26 -0.23 0.07 -0.81 0.52 0.00 0.00 175.17 174.46 1isk n PRO 39 N 5.12 0.00 -3.88 4.34 -0.04 -1.26 -4.88 135.00 134.40 1isk n PRO 39 Ca -0.08 0.00 -0.11 0.00 -0.04 0.00 0.00 63.50 63.26 1isk n PRO 39 Cb 0.50 -0.41 -0.12 0.00 -0.04 0.00 0.00 33.50 33.43 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 -0.14 0.05 -1.05 0.52 1.01 -1.26 -3.82 120.40 115.70 1isk s VAL 40 Ca 0.00 -0.40 0.00 0.00 0.00 0.00 0.00 61.98 61.58 1isk s VAL 40 Cb 0.00 -0.26 0.00 0.00 0.00 0.00 0.00 36.38 36.12 1isk s VAL 40 CO 0.00 -0.22 0.00 0.61 0.00 0.00 0.00 175.10 175.49 1isk n GLY 41 N 2.24 0.19 2.64 4.51 0.00 -1.26 -4.81 105.19 108.70 1isk n GLY 41 Ca -0.18 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.52 1isk n GLY 41 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1isk n SER 42 N -1.10 5.76 -2.66 1.61 2.88 -1.26 -4.96 113.62 113.88 1isk n SER 42 Ca -0.12 -3.76 -0.03 0.00 -1.33 0.00 0.00 58.87 53.62 1isk n SER 42 Cb 0.49 -0.68 -0.03 0.00 -0.75 0.00 0.00 64.21 63.24 1isk n SER 42 CO 0.00 0.00 0.00 -0.62 -1.23 0.00 0.00 175.04 173.19 1isk n GLU 43 N -0.51 -4.11 -2.53 -1.46 1.02 -1.26 -4.81 120.64 106.99 1isk n GLU 43 Ca 0.45 3.16 -0.38 0.00 -0.02 0.00 0.00 57.16 60.37 1isk n GLU 43 Cb 0.51 -5.10 -0.04 0.00 -0.02 0.00 0.00 31.44 26.78 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 -1.04 4.33 0.25 3.49 0.04 -1.26 -4.83 135.00 135.97 1isk s PRO 44 Ca -0.17 1.61 0.06 0.00 0.04 0.00 0.00 61.00 62.53 1isk s PRO 44 Cb 0.01 -2.77 -0.03 0.00 0.04 0.00 0.00 34.50 31.75 1isk s PRO 44 CO 0.78 -0.01 0.31 1.03 0.04 0.00 0.00 177.00 179.15 1isk s ARG 45 N -2.12 3.28 -0.11 4.56 3.00 0.44 -4.94 118.95 123.07 1isk s ARG 45 Ca 0.53 -0.85 -0.09 0.00 0.00 0.00 0.00 55.73 55.32 1isk s ARG 45 Cb -0.25 -2.79 0.04 0.00 0.00 0.00 0.00 34.95 31.94 1isk s ARG 45 CO 0.32 0.41 0.29 -1.54 0.00 0.00 0.00 175.30 174.78 1isk s SER 46 N -3.94 -0.31 0.00 0.23 1.04 -1.26 -0.17 113.70 109.29 1isk s SER 46 Ca 0.34 0.59 0.00 0.00 0.48 0.00 0.00 55.95 57.36 1isk s SER 46 Cb -0.09 0.55 0.00 0.00 0.10 0.00 0.00 66.02 66.59 1isk s SER 46 CO 0.28 -0.13 0.00 0.61 0.98 0.00 0.00 173.24 174.98 1isk n GLY 47 N 3.41 0.93 0.68 7.32 0.00 0.20 -3.83 105.19 113.90 1isk n GLY 47 Ca -0.17 -1.39 0.49 0.00 0.00 0.00 0.00 46.02 44.95 1isk n GLY 47 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1isk n THR 48 N 1.93 0.00 0.18 2.61 -2.24 0.52 0.16 114.28 117.45 1isk n THR 48 Ca 0.00 1.43 -0.13 0.00 -2.27 0.00 0.00 64.05 63.08 1isk n THR 48 Cb 0.00 -2.40 -0.08 0.00 -2.10 0.00 0.00 70.33 65.75 1isk n THR 48 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1isk h ALA 49 N 0.92 -0.48 0.28 6.98 0.00 -1.84 -0.37 119.26 124.75 1isk h ALA 49 Ca 0.87 -0.19 -0.01 0.00 0.00 0.00 0.00 54.91 55.58 1isk h ALA 49 Cb 3.61 0.19 0.00 0.00 0.00 0.00 0.00 17.79 21.59 1isk h ALA 49 CO -0.01 -0.60 -0.14 0.00 0.00 0.00 0.00 179.25 178.51 1isk h ALA 50 N -0.36 -0.38 -0.87 0.00 0.00 0.14 0.45 119.26 118.25 1isk h ALA 50 Ca -0.05 -0.19 0.23 0.00 0.00 0.00 0.00 54.91 54.90 1isk h ALA 50 Cb 0.53 0.15 -0.15 0.00 0.00 0.00 0.00 17.79 18.32 1isk h ALA 50 CO 0.08 -0.52 0.16 0.82 0.00 0.00 0.00 179.25 179.79 1isk h ILE 51 N -0.76 0.27 -0.42 0.00 2.04 -0.20 0.76 117.51 119.19 1isk h ILE 51 Ca -0.04 -0.05 -0.12 0.00 1.00 0.00 0.00 64.86 65.65 1isk h ILE 51 Cb 0.50 0.10 -0.01 0.00 -0.74 0.00 0.00 36.82 36.68 1isk h ILE 51 CO 0.06 0.03 -0.21 -0.09 0.00 0.00 0.00 178.15 177.94 1isk h ARG 52 N 0.15 0.88 -0.36 2.37 2.43 -0.95 -0.25 114.38 118.65 1isk h ARG 52 Ca 0.53 -0.39 0.06 0.00 -0.81 0.00 0.00 59.98 59.37 1isk h ARG 52 Cb 1.07 -0.02 -0.05 0.00 -0.42 0.00 0.00 29.97 30.54 1isk h ARG 52 CO -0.70 1.04 0.05 0.93 -1.51 0.00 0.00 179.97 179.78 1isk h GLU 53 N 0.71 0.16 0.31 0.20 4.39 0.27 0.90 114.58 121.52 1isk h GLU 53 Ca 0.09 -0.01 -0.02 0.00 0.34 0.00 0.00 59.36 59.77 1isk h GLU 53 Cb 0.78 -0.04 0.00 0.00 -0.10 0.00 0.00 28.75 29.39 1isk h GLU 53 CO 0.06 0.11 -0.15 0.35 -1.16 0.00 0.00 179.01 178.22 1isk h PHE 54 N 0.17 -0.39 -1.69 4.33 3.04 -0.53 -1.41 116.94 120.45 1isk h PHE 54 Ca 0.17 -0.01 0.49 0.00 3.98 0.00 0.00 57.97 62.61 1isk h PHE 54 Cb 0.21 0.13 -0.07 0.00 2.56 0.00 0.00 35.95 38.78 1isk h PHE 54 CO -0.21 -0.24 1.22 1.88 -2.02 0.00 0.00 178.31 178.94 1isk h TYR 55 N -0.67 0.02 0.19 0.41 -1.99 -1.02 0.42 116.97 114.33 1isk h TYR 55 Ca -0.04 0.00 -0.01 0.00 2.00 0.00 0.00 58.73 60.68 1isk h TYR 55 Cb 0.32 -0.00 0.00 0.00 2.00 0.00 0.00 36.73 39.05 1isk h TYR 55 CO 0.06 -0.01 -0.09 0.00 -0.00 0.00 0.00 178.16 178.12 1isk h ALA 56 N 1.16 -0.25 -0.02 3.88 0.00 -0.76 -1.13 119.26 122.14 1isk h ALA 56 Ca 0.81 -0.13 0.01 0.00 0.00 0.00 0.00 54.91 55.60 1isk h ALA 56 Cb 3.24 0.10 -0.00 0.00 0.00 0.00 0.00 17.79 21.12 1isk h ALA 56 CO -0.02 -0.26 0.29 -0.97 0.00 0.00 0.00 179.25 178.29 1isk h ASN 57 N -1.03 0.00 0.00 0.00 -1.24 0.76 0.15 115.58 114.22 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 0.33 0.00 -0.00 0.00 0.73 0.00 0.00 38.32 39.38 1isk h ASN 57 CO 0.04 0.00 -0.06 -1.28 -1.29 0.00 0.00 177.43 174.84 1isk h SER 58 N 0.00 0.00 0.00 1.15 0.87 -0.33 -3.29 113.55 111.95 1isk h SER 58 Ca 0.01 -0.06 0.00 0.00 -1.23 0.00 0.00 61.79 60.51 1isk h SER 58 Cb 0.59 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.55 1isk h SER 58 CO -0.00 0.56 0.17 -0.07 -0.53 0.00 0.00 176.83 176.95 1isk h LEU 59 N -1.00 0.00 -1.59 2.23 3.38 -0.17 -1.19 115.31 116.97 1isk h LEU 59 Ca -0.00 0.00 0.28 0.00 0.09 0.00 0.00 57.88 58.25 1isk h LEU 59 Cb 0.11 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 40.82 1isk h LEU 59 CO -0.00 0.00 0.96 0.07 0.09 0.00 0.00 178.44 179.56 1isk h LYS 60 N 0.00 0.00 -5.42 1.13 2.10 -0.81 -3.36 116.57 110.21 1isk h LYS 60 Ca 0.00 0.00 -0.62 0.00 -2.00 0.00 0.00 60.65 58.03 1isk h LYS 60 Cb 0.33 0.00 -0.10 0.00 -0.90 0.00 0.00 32.23 31.56 1isk h LYS 60 CO 0.00 0.00 -0.47 -1.17 -2.00 0.00 0.00 179.45 175.81 1isk s LEU 61 N -7.20 4.28 -0.84 7.07 2.96 -0.45 -5.02 118.68 119.47 1isk s LEU 61 Ca -0.04 0.35 -0.25 0.00 -0.22 0.00 0.00 54.13 53.97 1isk s LEU 61 Cb 0.17 -2.12 0.00 0.00 0.50 0.00 0.00 46.19 44.75 1isk s LEU 61 CO 0.59 0.25 1.64 -2.16 -1.32 0.00 0.00 176.35 175.35 1isk s PRO 62 N -0.12 3.02 0.25 0.98 0.04 -1.26 -4.93 135.00 132.98 1isk s PRO 62 Ca 0.11 -0.35 0.03 0.00 0.04 0.00 0.00 61.00 60.83 1isk s PRO 62 Cb -0.12 -4.83 -0.05 0.00 0.04 0.00 0.00 34.50 29.54 1isk s PRO 62 CO 0.01 -2.63 0.03 -0.48 0.04 0.00 0.00 177.00 173.97 1isk s LEU 63 N 7.40 2.06 -0.15 -3.56 0.05 -1.26 -4.55 118.68 118.67 1isk s LEU 63 Ca 0.55 -1.29 -0.03 0.00 0.05 0.00 0.00 54.13 53.41 1isk s LEU 63 Cb -0.06 -0.22 0.05 0.00 -2.05 0.00 0.00 46.19 43.91 1isk s LEU 63 CO 0.04 -0.58 0.04 0.00 -0.55 0.00 0.00 176.35 175.30 1isk s ALA 64 N -3.48 0.78 0.29 1.48 0.00 0.11 -4.93 121.76 116.02 1isk s ALA 64 Ca 0.32 -0.44 -0.15 0.00 0.00 0.00 0.00 51.96 51.69 1isk s ALA 64 Cb 0.07 -1.02 -0.09 0.00 0.00 0.00 0.00 23.12 22.09 1isk s ALA 64 CO 0.11 -0.96 0.71 0.08 0.00 0.00 0.00 175.76 175.70 1isk s VAL 65 N 1.96 4.69 -0.18 0.00 1.01 -1.26 -1.09 120.40 125.53 1isk s VAL 65 Ca 0.01 0.95 -0.24 0.00 0.00 0.00 0.00 61.98 62.71 1isk s VAL 65 Cb -0.15 -3.65 0.06 0.00 0.00 0.00 0.00 36.38 32.64 1isk s VAL 65 CO -0.07 -0.11 0.62 -1.83 0.00 0.00 0.00 175.10 173.71 1isk s GLU 66 N -2.79 0.81 0.27 2.72 -1.05 -0.24 -4.97 118.70 113.44 1isk s GLU 66 Ca 0.51 0.66 -0.29 0.00 -0.15 0.00 0.00 54.97 55.70 1isk s GLU 66 Cb -0.11 0.39 -0.09 0.00 -0.44 0.00 0.00 34.13 33.87 1isk s GLU 66 CO 0.18 -0.15 1.14 -0.51 0.95 0.00 0.00 175.26 176.87 1isk s LEU 67 N -0.14 4.52 0.00 1.83 1.43 -1.26 -0.37 118.68 124.69 1isk s LEU 67 Ca -0.04 2.31 0.00 0.00 -1.03 0.00 0.00 54.13 55.37 1isk s LEU 67 Cb -0.03 -3.63 0.00 0.00 0.03 0.00 0.00 46.19 42.56 1isk s LEU 67 CO 0.03 -0.22 0.68 1.07 0.23 0.00 0.00 176.35 178.14 1isk n THR 68 N 1.35 0.00 0.00 5.49 5.66 -1.26 -4.88 114.28 120.64 1isk n THR 68 Ca -0.00 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.00 1isk n THR 68 Cb 0.44 0.75 0.00 0.00 -1.55 0.00 0.00 70.33 69.97 1isk n THR 68 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1isk n GLN 69 N 0.00 0.00 -3.33 1.09 10.64 -1.26 -5.07 117.38 119.46 1isk n GLN 69 Ca 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 57.00 55.17 1isk n GLN 69 Cb 0.58 0.00 0.00 0.00 -0.86 0.00 0.00 30.24 29.96 1isk n GLN 69 CO 0.00 0.00 0.00 0.39 -1.83 0.00 0.00 177.06 175.62 1isk n GLU 70 N -0.20 -2.32 -4.41 2.61 -0.58 -1.26 -5.07 120.64 109.42 1isk n GLU 70 Ca 0.00 0.00 -0.30 0.00 -0.42 0.00 0.00 57.16 56.44 1isk n GLU 70 Cb 0.00 0.00 -0.11 0.00 -0.57 0.00 0.00 31.44 30.76 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 -2.50 2.95 -0.85 2.62 1.01 -1.26 -1.88 120.40 120.48 1isk s VAL 71 Ca 0.00 -1.33 0.00 0.00 0.00 0.00 0.00 61.98 60.65 1isk s VAL 71 Cb 0.00 -2.32 0.21 0.00 0.00 0.00 0.00 36.38 34.27 1isk s VAL 71 CO 0.00 0.19 0.73 -1.14 0.00 0.00 0.00 175.10 174.88 1isk n ARG 72 N 1.05 2.47 -3.18 2.72 3.00 0.10 -4.88 116.66 117.94 1isk n ARG 72 Ca -0.15 -4.49 -0.39 0.00 -0.00 0.00 0.00 57.85 52.82 1isk n ARG 72 Cb 0.52 -2.38 -0.05 0.00 0.00 0.00 0.00 32.46 30.55 1isk n ARG 72 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1isk s ALA 73 N -1.46 3.45 0.00 5.13 0.00 -1.26 -0.24 121.76 127.37 1isk s ALA 73 Ca 0.27 0.03 0.00 0.00 0.00 0.00 0.00 51.96 52.26 1isk s ALA 73 Cb -0.06 -2.79 0.00 0.00 0.00 0.00 0.00 23.12 20.28 1isk s ALA 73 CO -0.13 0.08 0.00 0.28 0.00 0.00 0.00 175.76 175.98 1isk n VAL 74 N 3.12 0.00 -1.52 0.00 0.31 0.12 -4.87 118.33 115.49 1isk n VAL 74 Ca -0.05 0.00 -0.39 0.00 -0.01 0.00 0.00 64.34 63.88 1isk n VAL 74 Cb 0.51 0.00 -0.09 0.00 -0.91 0.00 0.00 33.84 33.36 1isk n VAL 74 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1isk n ALA 75 N -3.00 0.58 -3.05 3.52 0.00 -1.26 -1.47 120.51 115.83 1isk n ALA 75 Ca 0.00 -0.59 -0.16 0.00 0.00 0.00 0.00 53.44 52.69 1isk n ALA 75 Cb 0.00 -2.75 -0.03 0.00 0.00 0.00 0.00 19.45 16.67 1isk n ALA 75 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 1isk n ASN 76 N 13.15 -1.18 -4.27 0.00 2.85 -1.23 -4.84 115.26 119.74 1isk n ASN 76 Ca 0.50 -0.20 -0.20 0.00 -0.11 0.00 0.00 54.58 54.58 1isk n ASN 76 Cb 0.30 -1.10 -0.11 0.00 1.24 0.00 0.00 39.78 40.11 1isk n ASN 76 CO 0.00 0.00 0.00 -1.61 -2.11 0.00 0.00 177.26 173.54 1isk s GLU 77 N -5.26 1.10 -0.41 1.20 2.02 -0.54 -0.60 118.70 116.22 1isk s GLU 77 Ca 0.31 -1.27 0.05 0.00 0.02 0.00 0.00 54.97 54.08 1isk s GLU 77 Cb -0.18 -1.07 0.17 0.00 0.10 0.00 0.00 34.13 33.15 1isk s GLU 77 CO 0.38 0.21 0.50 0.00 0.02 0.00 0.00 175.26 176.38 1isk s ALA 78 N -2.00 -1.18 -0.45 5.21 0.00 0.77 0.12 121.76 124.24 1isk s ALA 78 Ca 0.10 -0.61 -0.08 0.00 0.00 0.00 0.00 51.96 51.38 1isk s ALA 78 Cb -0.06 -2.34 0.11 0.00 0.00 0.00 0.00 23.12 20.83 1isk s ALA 78 CO 0.04 -2.18 0.30 0.00 0.00 0.00 0.00 175.76 173.93 1isk s ALA 79 N 1.40 3.33 0.31 0.00 0.00 0.67 -1.02 121.76 126.45 1isk s ALA 79 Ca 0.19 -2.50 0.09 0.00 0.00 0.00 0.00 51.96 49.74 1isk s ALA 79 Cb -0.08 -2.71 -0.04 0.00 0.00 0.00 0.00 23.12 20.28 1isk s ALA 79 CO -0.05 -1.86 0.08 -0.59 0.00 0.00 0.00 175.76 173.34 1isk s PHE 80 N 1.32 2.70 -0.10 0.00 -0.71 0.14 0.00 117.98 121.32 1isk s PHE 80 Ca 0.06 -0.32 0.04 0.00 -1.04 0.00 0.00 56.93 55.67 1isk s PHE 80 Cb -0.25 -1.45 0.00 0.00 -1.21 0.00 0.00 43.02 40.11 1isk s PHE 80 CO -0.01 0.47 -0.24 0.00 -1.34 0.00 0.00 175.22 174.10 1isk s ALA 81 N -2.39 2.17 0.13 1.99 0.00 -0.79 0.24 121.76 123.12 1isk s ALA 81 Ca 0.35 -0.98 0.01 0.00 0.00 0.00 0.00 51.96 51.34 1isk s ALA 81 Cb -0.04 -0.83 -0.04 0.00 0.00 0.00 0.00 23.12 22.21 1isk s ALA 81 CO 0.21 0.25 -0.02 -0.59 0.00 0.00 0.00 175.76 175.62 1isk s PHE 82 N 0.40 1.02 0.18 0.00 -0.12 -0.64 -4.06 117.98 114.76 1isk s PHE 82 Ca -0.18 -1.01 0.04 0.00 -0.05 0.00 0.00 56.93 55.73 1isk s PHE 82 Cb -0.18 -0.59 -0.04 0.00 -0.63 0.00 0.00 43.02 41.59 1isk s PHE 82 CO 0.08 -0.24 0.23 0.95 -0.05 0.00 0.00 175.22 176.19 1isk s THR 83 N -3.71 4.93 -0.14 -4.49 -4.23 0.50 -2.19 115.64 106.32 1isk s THR 83 Ca 0.19 -0.94 -0.01 0.00 -1.18 0.00 0.00 61.69 59.75 1isk s THR 83 Cb 0.06 -3.56 0.04 0.00 1.34 0.00 0.00 72.50 70.37 1isk s THR 83 CO -0.00 -0.16 -0.04 0.68 -0.54 0.00 0.00 174.62 174.56 1isk s VAL 84 N -1.82 0.89 -0.26 2.29 -7.23 0.15 -1.08 120.40 113.35 1isk s VAL 84 Ca 0.33 -0.39 -0.17 0.00 -1.81 0.00 0.00 61.98 59.95 1isk s VAL 84 Cb -0.10 -1.05 -0.03 0.00 0.56 0.00 0.00 36.38 35.75 1isk s VAL 84 CO 0.26 0.19 0.46 -0.55 -0.31 0.00 0.00 175.10 175.15 1isk s SER 85 N 1.74 6.37 -0.18 4.85 0.15 -0.25 -1.03 113.70 125.35 1isk s SER 85 Ca 0.03 0.45 -0.16 0.00 0.70 0.00 0.00 55.95 56.96 1isk s SER 85 Cb -0.14 -2.25 0.05 0.00 -1.71 0.00 0.00 66.02 61.97 1isk s SER 85 CO -0.07 -0.23 0.47 0.72 1.20 0.00 0.00 173.24 175.33 1isk s PHE 86 N 2.12 -0.55 -0.04 3.44 -0.71 -0.50 -0.71 117.98 121.04 1isk s PHE 86 Ca 0.19 1.30 0.02 0.00 -1.04 0.00 0.00 56.93 57.40 1isk s PHE 86 Cb -0.16 0.20 0.01 0.00 -1.21 0.00 0.00 43.02 41.87 1isk s PHE 86 CO 0.09 -0.27 -0.06 -2.00 -1.34 0.00 0.00 175.22 171.64 1isk s GLU 87 N 0.43 0.84 -0.02 1.99 2.12 -1.26 -0.50 118.70 122.30 1isk s GLU 87 Ca -0.01 -0.17 -0.10 0.00 0.36 0.00 0.00 54.97 55.05 1isk s GLU 87 Cb -0.04 -0.82 0.01 0.00 0.26 0.00 0.00 34.13 33.54 1isk s GLU 87 CO -0.02 -0.01 0.21 1.52 -0.54 0.00 0.00 175.26 176.42 1isk s TYR 88 N 0.61 -0.09 -1.29 5.30 1.13 0.53 -4.89 117.35 118.64 1isk s TYR 88 Ca -0.09 0.14 -0.00 0.00 -1.41 0.00 0.00 57.07 55.72 1isk s TYR 88 Cb -0.12 0.02 -0.00 0.00 -1.10 0.00 0.00 41.96 40.76 1isk s TYR 88 CO 0.00 -0.28 0.72 1.04 -2.51 0.00 0.00 175.55 174.52 1isk n GLN 89 N 1.72 -4.98 -2.08 -3.49 1.13 -1.26 -0.48 117.38 107.94 1isk n GLN 89 Ca -0.20 0.64 -0.13 0.00 -1.94 0.00 0.00 57.00 55.37 1isk n GLN 89 Cb 0.56 -5.22 -0.02 0.00 0.11 0.00 0.00 30.24 25.67 1isk n GLN 89 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1isk n GLY 90 N -1.54 0.06 2.88 1.08 0.00 -1.26 -4.91 105.19 101.50 1isk n GLY 90 Ca -0.30 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.44 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 -4.37 1.38 0.30 1.61 0.52 0.36 -4.90 118.95 113.85 1isk s ARG 91 Ca 0.00 -0.62 -0.16 0.00 -0.52 0.00 0.00 55.73 54.43 1isk s ARG 91 Cb 0.00 -2.16 -0.09 0.00 0.52 0.00 0.00 34.95 33.22 1isk s ARG 91 CO 0.00 -0.50 0.73 0.21 0.02 0.00 0.00 175.30 175.76 1isk s LYS 92 N 1.60 4.04 -0.12 3.54 2.36 0.11 -0.35 119.74 130.92 1isk s LYS 92 Ca -0.01 0.70 -0.23 0.00 -2.55 0.00 0.00 55.97 53.88 1isk s LYS 92 Cb -0.16 -2.51 0.05 0.00 -1.05 0.00 0.00 37.83 34.16 1isk s LYS 92 CO -0.07 0.20 0.56 0.99 1.55 0.00 0.00 175.35 178.58 1isk s THR 93 N -1.90 0.01 -0.12 3.43 2.01 0.35 0.22 115.64 119.64 1isk s THR 93 Ca 0.52 -0.09 -0.01 0.00 0.31 0.00 0.00 61.69 62.42 1isk s THR 93 Cb -0.11 -0.83 0.03 0.00 0.01 0.00 0.00 72.50 71.60 1isk s THR 93 CO 0.18 -0.05 -0.03 0.54 -0.69 0.00 0.00 174.62 174.57 1isk s VAL 94 N -0.50 0.72 0.38 3.82 0.11 -0.08 -1.41 120.40 123.44 1isk s VAL 94 Ca -0.06 -0.22 0.05 0.00 -2.93 0.00 0.00 61.98 58.81 1isk s VAL 94 Cb -0.03 -0.89 -0.00 0.00 -1.53 0.00 0.00 36.38 33.93 1isk s VAL 94 CO 0.05 0.20 0.54 -0.69 -3.33 0.00 0.00 175.10 171.87 1isk s VAL 95 N 1.82 3.87 -0.40 2.04 1.01 -0.20 -0.45 120.40 128.10 1isk s VAL 95 Ca 0.03 -0.86 0.09 0.00 0.00 0.00 0.00 61.98 61.25 1isk s VAL 95 Cb -0.14 -3.36 0.30 0.00 0.00 0.00 0.00 36.38 33.18 1isk s VAL 95 CO -0.07 -0.17 0.70 0.00 0.00 0.00 0.00 175.10 175.55 1isk n ALA 96 N -1.80 1.64 -1.56 5.51 0.00 0.64 0.32 120.51 125.25 1isk n ALA 96 Ca 0.01 -3.06 -0.30 0.00 0.00 0.00 0.00 53.44 50.09 1isk n ALA 96 Cb 0.58 -0.94 0.08 0.00 0.00 0.00 0.00 19.45 19.17 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 -1.45 2.40 -0.21 0.00 0.04 -0.93 -4.72 135.00 130.13 1isk s PRO 97 Ca 0.36 0.75 -0.01 0.00 0.04 0.00 0.00 61.00 62.13 1isk s PRO 97 Cb 0.27 -1.95 0.01 0.00 0.04 0.00 0.00 34.50 32.87 1isk s PRO 97 CO -0.10 -1.42 -0.11 0.42 0.04 0.00 0.00 177.00 175.82 1isk s ILE 98 N -3.12 2.74 -0.20 0.56 1.01 0.10 -1.62 121.20 120.66 1isk s ILE 98 Ca 0.60 -0.78 -0.22 0.00 0.00 0.00 0.00 60.65 60.25 1isk s ILE 98 Cb -0.14 -2.24 -0.02 0.00 0.01 0.00 0.00 42.46 40.06 1isk s ILE 98 CO 0.54 0.43 0.67 -1.81 0.00 0.00 0.00 174.94 174.77 1isk s ASP 99 N 1.37 6.72 -0.34 3.58 1.01 0.14 0.50 116.67 129.64 1isk s ASP 99 Ca 0.04 0.88 -0.02 0.00 0.71 0.00 0.00 52.55 54.17 1isk s ASP 99 Cb -0.14 -2.37 0.07 0.00 1.01 0.00 0.00 42.92 41.49 1isk s ASP 99 CO -0.07 -0.31 0.08 -2.28 0.21 0.00 0.00 175.17 172.80 1isk s HIS 100 N 2.04 3.41 -0.12 4.23 5.65 0.14 -0.69 115.29 129.96 1isk s HIS 100 Ca 0.30 -2.12 -0.01 0.00 0.25 0.00 0.00 55.06 53.49 1isk s HIS 100 Cb -0.16 -2.57 -0.02 0.00 -1.18 0.00 0.00 32.58 28.65 1isk s HIS 100 CO 0.10 -0.87 -0.08 -0.06 -0.65 0.00 0.00 174.74 173.18 1isk s PHE 101 N 1.20 2.91 -0.23 3.88 0.08 -0.19 -0.48 117.98 125.15 1isk s PHE 101 Ca 0.01 -0.32 -0.02 0.00 0.12 0.00 0.00 56.93 56.72 1isk s PHE 101 Cb -0.21 -1.83 0.02 0.00 -0.57 0.00 0.00 43.02 40.43 1isk s PHE 101 CO -0.02 0.02 -0.08 -0.98 -0.10 0.00 0.00 175.22 174.05 1isk s ARG 102 N -0.02 3.00 0.21 0.44 1.70 -0.53 -0.16 118.95 123.58 1isk s ARG 102 Ca -0.01 -0.86 -0.14 0.00 -0.47 0.00 0.00 55.73 54.25 1isk s ARG 102 Cb -0.14 -2.92 -0.08 0.00 -0.57 0.00 0.00 34.95 31.25 1isk s ARG 102 CO 0.03 -0.31 0.60 -0.06 -1.08 0.00 0.00 175.30 174.48 1isk s PHE 103 N 1.36 3.52 0.32 5.89 0.40 0.23 -3.14 117.98 126.56 1isk s PHE 103 Ca 0.02 1.07 0.04 0.00 -0.60 0.00 0.00 56.93 57.46 1isk s PHE 103 Cb -0.15 -2.39 -0.04 0.00 0.51 0.00 0.00 43.02 40.95 1isk s PHE 103 CO -0.06 0.31 0.16 0.54 0.70 0.00 0.00 175.22 176.88 1isk s ASN 104 N -1.99 1.71 0.00 1.36 4.22 0.70 -4.76 114.94 116.18 1isk s ASN 104 Ca 0.44 -1.58 0.00 0.00 -2.14 0.00 0.00 52.86 49.58 1isk s ASN 104 Cb -0.13 0.40 0.00 0.00 1.28 0.00 0.00 41.25 42.80 1isk s ASN 104 CO 0.20 -0.90 0.00 0.61 -2.04 0.00 0.00 177.10 174.97 1isk n GLY 105 N -0.63 0.89 0.00 0.45 0.00 -1.26 -1.55 105.19 103.09 1isk n GLY 105 Ca 0.01 -0.01 0.00 0.00 0.00 0.00 0.00 46.02 46.02 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 0.00 0.00 -2.34 4.61 0.00 -1.26 -4.99 120.51 116.54 1isk n ALA 106 Ca 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 53.44 53.43 1isk n ALA 106 Cb 0.00 0.00 0.03 0.00 0.00 0.00 0.00 19.45 19.48 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 -0.71 0.09 3.15 0.00 0.00 -1.03 -4.60 105.19 102.09 1isk n GLY 107 Ca 0.00 -0.05 -0.34 0.00 0.00 0.00 0.00 46.02 45.64 1isk n GLY 107 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1isk s LYS 108 N 0.04 2.75 -0.14 1.61 1.02 -0.60 -4.89 119.74 119.52 1isk s LYS 108 Ca 0.03 -1.02 -0.29 0.00 0.02 0.00 0.00 55.97 54.70 1isk s LYS 108 Cb 0.13 -2.86 -0.02 0.00 -0.52 0.00 0.00 37.83 34.55 1isk s LYS 108 CO -0.04 -0.39 1.29 0.08 -0.92 0.00 0.00 175.35 175.38 1isk s VAL 109 N 1.27 4.21 -0.21 3.17 1.01 -1.26 -0.22 120.40 128.38 1isk s VAL 109 Ca -0.01 1.48 0.02 0.00 0.00 0.00 0.00 61.98 63.47 1isk s VAL 109 Cb -0.16 -3.95 -0.01 0.00 0.00 0.00 0.00 36.38 32.26 1isk s VAL 109 CO -0.07 -0.12 0.30 0.52 0.00 0.00 0.00 175.10 175.74 1isk n VAL 110 N 5.31 0.00 -3.77 2.92 0.31 -1.19 -0.45 118.33 121.46 1isk n VAL 110 Ca 0.14 -0.47 -0.14 0.00 -0.01 0.00 0.00 64.34 63.86 1isk n VAL 110 Cb 0.45 1.02 -0.15 0.00 -0.91 0.00 0.00 33.84 34.25 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 -0.81 -0.04 -0.11 4.52 0.01 -1.23 -0.76 113.70 115.28 1isk s SER 111 Ca 0.02 0.18 -0.04 0.00 1.31 0.00 0.00 55.95 57.43 1isk s SER 111 Cb 0.02 0.09 0.05 0.00 0.21 0.00 0.00 66.02 66.40 1isk s SER 111 CO 0.07 -0.12 0.15 -0.04 0.41 0.00 0.00 173.24 173.72 1isk s MET 112 N 0.92 0.05 -0.05 12.44 1.00 0.13 -1.45 119.30 132.35 1isk s MET 112 Ca -0.07 0.42 0.02 0.00 0.00 0.00 0.00 55.69 56.05 1isk s MET 112 Cb -0.10 -0.61 0.02 0.00 0.00 0.00 0.00 34.83 34.14 1isk s MET 112 CO -0.04 -0.40 -0.07 0.50 0.00 0.00 0.00 175.02 175.01 1isk s ARG 113 N 2.27 1.02 0.54 2.03 3.52 0.37 0.84 118.95 129.55 1isk s ARG 113 Ca 0.04 -0.20 0.04 0.00 -0.13 0.00 0.00 55.73 55.48 1isk s ARG 113 Cb -0.13 -0.95 0.05 0.00 -1.56 0.00 0.00 34.95 32.36 1isk s ARG 113 CO -0.07 -0.03 0.75 0.00 -0.81 0.00 0.00 175.30 175.15 1isk s ALA 114 N 0.74 4.16 -0.25 6.12 0.00 -0.49 0.28 121.76 132.32 1isk s ALA 114 Ca -0.11 -1.59 -0.03 0.00 0.00 0.00 0.00 51.96 50.22 1isk s ALA 114 Cb -0.14 -1.86 0.11 0.00 0.00 0.00 0.00 23.12 21.23 1isk s ALA 114 CO 0.01 -0.74 0.22 -0.51 0.00 0.00 0.00 175.76 174.74 1isk s LEU 115 N -4.69 -0.00 -0.09 0.00 1.02 0.18 -4.56 118.68 110.54 1isk s LEU 115 Ca 0.59 -0.63 0.03 0.00 0.02 0.00 0.00 54.13 54.14 1isk s LEU 115 Cb -0.09 0.25 0.01 0.00 0.02 0.00 0.00 46.19 46.38 1isk s LEU 115 CO 0.38 -0.37 -0.19 0.72 0.02 0.00 0.00 176.35 176.91 1isk s PHE 116 N 2.28 2.12 0.50 0.29 -0.71 -1.26 -0.73 117.98 120.48 1isk s PHE 116 Ca 0.08 -0.86 0.08 0.00 -1.04 0.00 0.00 56.93 55.18 1isk s PHE 116 Cb -0.15 -1.46 0.03 0.00 -1.21 0.00 0.00 43.02 40.23 1isk s PHE 116 CO -0.24 -0.38 0.53 0.20 -1.34 0.00 0.00 175.22 174.00 1isk s GLY 117 N 0.51 2.07 0.14 1.99 0.00 -1.26 -4.94 107.32 105.83 1isk s GLY 117 Ca -0.16 -1.75 -0.06 0.00 0.00 0.00 0.00 44.72 42.74 1isk s GLY 117 CO 0.06 -1.74 1.35 -2.09 0.00 0.00 0.00 173.10 170.68 1isk h GLU 118 N 0.65 0.55 -0.42 2.90 4.22 -2.00 -2.80 114.58 117.67 1isk h GLU 118 Ca -0.36 -0.48 0.00 0.00 0.08 0.00 0.00 59.36 58.60 1isk h GLU 118 Cb 1.29 0.11 0.00 0.00 0.50 0.00 0.00 28.75 30.65 1isk h GLU 118 CO 0.51 1.11 0.00 0.36 -2.18 0.00 0.00 179.01 178.81 1isk n LYS 119 N -3.85 1.87 -0.35 1.92 0.00 -1.26 -3.39 118.16 113.10 1isk n LYS 119 Ca -0.06 -1.08 0.11 0.00 -0.00 0.00 0.00 58.31 57.28 1isk n LYS 119 Cb 0.76 -1.37 0.29 0.00 -0.00 0.00 0.00 35.03 34.71 1isk n LYS 119 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.40 175.69 1isk n ASN 120 N 0.31 3.59 -4.26 -5.58 2.85 -1.06 -4.89 115.26 106.23 1isk n ASN 120 Ca 0.10 -2.02 -0.25 0.00 -0.11 0.00 0.00 54.58 52.30 1isk n ASN 120 Cb 0.34 -0.45 -0.14 0.00 1.24 0.00 0.00 39.78 40.77 1isk n ASN 120 CO 0.00 0.00 0.00 -0.63 -2.11 0.00 0.00 177.26 174.52 1isk s ILE 121 N -1.14 1.69 -0.28 -1.44 1.01 -1.22 -0.26 121.20 119.55 1isk s ILE 121 Ca 0.45 -1.32 -0.02 0.00 0.00 0.00 0.00 60.65 59.76 1isk s ILE 121 Cb 0.23 -1.49 0.09 0.00 0.01 0.00 0.00 42.46 41.31 1isk s ILE 121 CO 0.30 0.11 0.08 -1.00 0.00 0.00 0.00 174.94 174.44 1isk s HIS 122 N -0.92 1.40 0.75 3.97 3.76 0.41 -4.95 115.29 119.70 1isk s HIS 122 Ca 0.07 -1.44 -0.10 0.00 -0.15 0.00 0.00 55.06 53.44 1isk s HIS 122 Cb -0.09 -1.46 0.06 0.00 1.11 0.00 0.00 32.58 32.19 1isk s HIS 122 CO 0.03 -0.81 1.10 0.00 -0.85 0.00 0.00 174.74 174.21 1isk s ALA 123 N 1.72 2.87 0.00 -1.40 0.00 -1.26 -0.90 121.76 122.79 1isk s ALA 123 Ca 0.07 -0.65 0.00 0.00 0.00 0.00 0.00 51.96 51.38 1isk s ALA 123 Cb -0.17 -2.87 0.00 0.00 0.00 0.00 0.00 23.12 20.08 1isk s ALA 123 CO -0.23 -1.41 0.00 0.41 0.00 0.00 0.00 175.76 174.54 1isk n GLY 124 N -3.10 -2.30 0.00 0.00 0.00 0.13 -4.89 105.19 95.03 1isk n GLY 124 Ca 0.07 -1.22 0.00 0.00 0.00 0.00 0.00 46.02 44.87 1isk n GLY 124 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32