#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 -1.09 -4.33 7.83 0.23 -1.26 -4.94 115.26 111.70 1isk n ASN 2 Ca 0.00 -1.62 -0.21 0.00 -0.53 0.00 0.00 54.58 52.21 1isk n ASN 2 Cb 0.00 1.03 -0.11 0.00 -2.08 0.00 0.00 39.78 38.62 1isk n ASN 2 CO 0.00 0.00 0.00 0.42 -0.93 0.00 0.00 177.26 176.75 1isk s THR 3 N 0.02 1.78 0.15 5.53 -4.23 -1.26 -4.91 115.64 112.71 1isk s THR 3 Ca 0.10 -1.92 0.13 0.00 -1.18 0.00 0.00 61.69 58.81 1isk s THR 3 Cb 0.14 -1.83 -0.01 0.00 1.34 0.00 0.00 72.50 72.14 1isk s THR 3 CO -0.09 -0.34 1.55 1.55 -0.54 0.00 0.00 174.62 176.74 1isk h PRO 4 N 3.22 0.00 -0.10 3.99 0.13 -1.98 -1.22 132.00 136.03 1isk h PRO 4 Ca -0.42 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.70 1isk h PRO 4 Cb 1.21 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.33 1isk h PRO 4 CO 0.52 0.61 0.01 1.49 -0.23 0.00 0.00 178.00 180.40 1isk h GLU 5 N 0.00 0.18 -0.26 0.86 4.81 -1.97 0.16 114.58 118.36 1isk h GLU 5 Ca -0.01 -0.05 -0.15 0.00 -0.13 0.00 0.00 59.36 59.02 1isk h GLU 5 Cb 1.23 -0.02 -0.00 0.00 0.63 0.00 0.00 28.75 30.59 1isk h GLU 5 CO 0.08 0.40 -0.43 1.25 -0.73 0.00 0.00 179.01 179.58 1isk h HIS 6 N -0.07 0.94 0.41 0.92 2.76 -1.98 -1.35 115.15 116.77 1isk h HIS 6 Ca 0.03 -0.32 -0.01 0.00 -2.20 0.00 0.00 60.37 57.87 1isk h HIS 6 Cb 0.32 -0.18 -0.01 0.00 1.55 0.00 0.00 27.41 29.09 1isk h HIS 6 CO 0.02 1.11 -0.28 0.52 -1.30 0.00 0.00 177.93 178.01 1isk h MET 7 N 0.50 -0.65 -0.18 5.26 2.86 -1.16 0.39 114.93 121.94 1isk h MET 7 Ca 0.02 0.04 0.01 0.00 -2.06 0.00 0.00 59.70 57.72 1isk h MET 7 Cb 1.03 0.15 -0.02 0.00 0.06 0.00 0.00 31.60 32.82 1isk h MET 7 CO 0.10 -0.43 0.07 1.15 1.06 0.00 0.00 176.91 178.86 1isk h THR 8 N -0.67 0.97 -0.90 2.22 2.02 -0.72 -0.18 112.91 115.65 1isk h THR 8 Ca -0.04 -0.06 0.08 0.00 0.77 0.00 0.00 66.41 67.17 1isk h THR 8 Cb 0.57 0.80 -0.07 0.00 -1.74 0.00 0.00 68.15 67.70 1isk h THR 8 CO 0.02 0.03 0.55 0.00 0.37 0.00 0.00 175.52 176.49 1isk h ALA 9 N 1.10 1.28 -0.75 6.16 0.00 -1.07 0.99 119.26 126.97 1isk h ALA 9 Ca 0.07 0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.97 1isk h ALA 9 Cb 0.04 -0.21 -0.04 0.00 0.00 0.00 0.00 17.79 17.58 1isk h ALA 9 CO -0.07 0.24 0.37 0.28 0.00 0.00 0.00 179.25 180.07 1isk h VAL 10 N 0.96 1.23 -0.59 0.00 2.07 0.58 -1.28 116.25 119.22 1isk h VAL 10 Ca 0.41 -0.65 -0.03 0.00 0.82 0.00 0.00 66.70 67.26 1isk h VAL 10 Cb 0.29 0.26 -0.03 0.00 -1.52 0.00 0.00 31.29 30.29 1isk h VAL 10 CO -0.21 0.28 0.25 0.58 0.02 0.00 0.00 177.57 178.48 1isk h VAL 11 N 1.06 1.22 0.30 2.57 2.07 0.91 0.23 116.25 124.61 1isk h VAL 11 Ca 0.26 -0.68 -0.01 0.00 0.82 0.00 0.00 66.70 67.09 1isk h VAL 11 Cb 0.09 0.58 -0.01 0.00 -1.52 0.00 0.00 31.29 30.43 1isk h VAL 11 CO -0.04 0.27 -0.20 -0.61 0.02 0.00 0.00 177.57 177.02 1isk h GLN 12 N 0.81 -0.46 -0.25 1.57 4.15 -0.33 0.20 115.11 120.79 1isk h GLN 12 Ca 0.20 0.03 0.01 0.00 0.77 0.00 0.00 58.65 59.66 1isk h GLN 12 Cb 0.18 0.11 -0.02 0.00 0.21 0.00 0.00 27.48 27.96 1isk h GLN 12 CO -0.02 -0.31 0.14 -0.09 -1.93 0.00 0.00 178.83 176.63 1isk h ARG 13 N -0.48 0.29 -0.44 1.69 9.65 -1.10 0.11 114.38 124.10 1isk h ARG 13 Ca -0.03 -0.02 0.07 0.00 -1.10 0.00 0.00 59.98 58.90 1isk h ARG 13 Cb 0.41 -0.07 -0.06 0.00 -1.39 0.00 0.00 29.97 28.87 1isk h ARG 13 CO 0.02 0.19 0.12 -0.92 2.80 0.00 0.00 179.97 182.18 1isk h TYR 14 N 0.30 0.20 0.34 2.20 5.03 -0.32 0.42 116.97 125.14 1isk h TYR 14 Ca 0.10 0.02 -0.02 0.00 2.58 0.00 0.00 58.73 61.42 1isk h TYR 14 Cb -0.00 -0.02 0.00 0.00 1.55 0.00 0.00 36.73 38.26 1isk h TYR 14 CO -0.08 0.04 -0.16 0.28 -1.32 0.00 0.00 178.16 176.92 1isk h VAL 15 N 0.26 0.00 -1.57 1.81 2.07 -0.24 0.17 116.25 118.76 1isk h VAL 15 Ca 0.21 -0.06 0.51 0.00 0.82 0.00 0.00 66.70 68.19 1isk h VAL 15 Cb 0.25 0.00 -0.12 0.00 -1.52 0.00 0.00 31.29 29.90 1isk h VAL 15 CO -0.25 0.00 1.05 0.00 0.02 0.00 0.00 177.57 178.39 1isk n ALA 16 N -2.27 1.54 0.00 1.67 0.00 0.36 0.19 120.51 122.00 1isk n ALA 16 Ca -0.06 0.81 -0.12 0.00 0.00 0.00 0.00 53.44 54.07 1isk n ALA 16 Cb 0.18 -1.09 -0.10 0.00 0.00 0.00 0.00 19.45 18.45 1isk n ALA 16 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1isk h ALA 17 N 1.41 -0.09 -0.34 0.00 0.00 -0.53 -0.35 119.26 119.37 1isk h ALA 17 Ca 0.90 -0.28 0.07 0.00 0.00 0.00 0.00 54.91 55.61 1isk h ALA 17 Cb 3.14 0.03 -0.08 0.00 0.00 0.00 0.00 17.79 20.89 1isk h ALA 17 CO -0.33 -0.24 -0.19 1.25 0.00 0.00 0.00 179.25 179.75 1isk h LEU 18 N -0.71 -0.63 -0.68 0.00 5.85 0.52 0.61 115.31 120.26 1isk h LEU 18 Ca -0.01 0.14 0.01 0.00 0.84 0.00 0.00 57.88 58.86 1isk h LEU 18 Cb 0.59 0.33 -0.03 0.00 0.37 0.00 0.00 40.66 41.92 1isk h LEU 18 CO 0.01 -0.22 0.45 -1.13 -0.34 0.00 0.00 178.44 177.21 1isk h ASN 19 N -0.14 0.79 0.42 1.25 -0.73 -0.71 0.20 115.58 116.66 1isk h ASN 19 Ca 0.17 -0.03 0.00 0.00 1.87 0.00 0.00 56.30 58.32 1isk h ASN 19 Cb 0.40 -0.20 0.00 0.00 0.27 0.00 0.00 38.32 38.80 1isk h ASN 19 CO -0.42 0.58 0.00 0.00 -0.37 0.00 0.00 177.43 177.21 1isk n ALA 20 N -2.29 1.49 -2.85 1.57 0.00 -0.00 -4.86 120.51 113.56 1isk n ALA 20 Ca 0.06 0.02 -0.10 0.00 0.00 0.00 0.00 53.44 53.42 1isk n ALA 20 Cb 0.02 -1.24 0.05 0.00 0.00 0.00 0.00 19.45 18.28 1isk n ALA 20 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1isk n GLY 21 N -0.39 -0.04 3.00 0.00 0.00 0.19 -4.98 105.19 102.97 1isk n GLY 21 Ca 0.02 -0.13 -0.34 0.00 0.00 0.00 0.00 46.02 45.56 1isk n GLY 21 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1isk n ASP 22 N -2.27 4.11 0.25 1.61 2.03 -0.25 -4.91 116.55 117.12 1isk n ASP 22 Ca -0.17 -3.20 -0.16 0.00 0.52 0.00 0.00 54.79 51.78 1isk n ASP 22 Cb 0.60 -0.98 -0.08 0.00 -0.72 0.00 0.00 41.12 39.94 1isk n ASP 22 CO 0.00 0.00 0.00 -0.07 -1.92 0.00 0.00 177.20 175.21 1isk h LEU 23 N 5.66 -1.13 -1.10 -2.67 3.38 -1.93 0.29 115.31 117.81 1isk h LEU 23 Ca 0.17 0.10 0.30 0.00 0.09 0.00 0.00 57.88 58.53 1isk h LEU 23 Cb 0.77 0.38 -0.13 0.00 0.09 0.00 0.00 40.66 41.77 1isk h LEU 23 CO 0.86 -0.56 0.62 0.44 0.09 0.00 0.00 178.44 179.89 1isk h ASP 24 N -0.83 0.54 0.16 -0.43 3.45 -1.98 0.30 116.42 117.62 1isk h ASP 24 Ca -0.03 0.15 -0.01 0.00 0.43 0.00 0.00 57.03 57.57 1isk h ASP 24 Cb 0.74 0.08 0.00 0.00 -0.56 0.00 0.00 39.33 39.59 1isk h ASP 24 CO -0.07 -0.02 -0.08 1.23 -1.57 0.00 0.00 179.24 178.74 1isk h GLY 25 N 0.41 -0.22 -1.08 2.75 0.00 -1.58 0.12 103.07 103.47 1isk h GLY 25 Ca 0.69 0.08 0.43 0.00 0.00 0.00 0.00 47.33 48.53 1isk h GLY 25 CO -0.49 -0.08 0.92 -2.22 0.00 0.00 0.00 176.54 174.67 1isk h ILE 26 N -0.31 0.17 -0.09 2.60 2.04 0.24 1.62 117.51 123.78 1isk h ILE 26 Ca -0.02 -0.03 -0.08 0.00 1.00 0.00 0.00 64.86 65.73 1isk h ILE 26 Cb 0.16 0.07 0.00 0.00 -0.74 0.00 0.00 36.82 36.31 1isk h ILE 26 CO 0.04 0.02 -0.24 0.58 0.00 0.00 0.00 178.15 178.55 1isk h VAL 27 N 0.09 1.40 0.00 1.67 2.07 -0.38 -2.70 116.25 118.41 1isk h VAL 27 Ca 0.79 -1.56 0.00 0.00 0.82 0.00 0.00 66.70 66.75 1isk h VAL 27 Cb 2.62 2.18 0.00 0.00 -1.52 0.00 0.00 31.29 34.58 1isk h VAL 27 CO -0.31 0.45 0.00 0.00 0.02 0.00 0.00 177.57 177.73 1isk n ALA 28 N -2.47 1.39 0.07 1.67 0.00 0.51 -2.94 120.51 118.74 1isk n ALA 28 Ca -0.08 0.08 -0.03 0.00 0.00 0.00 0.00 53.44 53.41 1isk n ALA 28 Cb 0.44 -1.28 -0.01 0.00 0.00 0.00 0.00 19.45 18.59 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 -0.17-10.74 0.00 6.46 0.17 -3.47 115.31 107.57 1isk h LEU 29 Ca 0.00 0.01 -0.46 0.00 -0.12 0.00 0.00 57.88 57.31 1isk h LEU 29 Cb 0.19 0.04 0.11 0.00 -0.73 0.00 0.00 40.66 40.27 1isk h LEU 29 CO 0.00 -0.04 0.22 0.72 -0.62 0.00 0.00 178.44 178.72 1isk s PHE 30 N -2.48 1.65 1.05 1.25 -0.12 -1.15 -4.84 117.98 113.33 1isk s PHE 30 Ca -0.03 -0.04 -0.22 0.00 -0.05 0.00 0.00 56.93 56.59 1isk s PHE 30 Cb 0.00 -3.39 -0.02 0.00 -0.63 0.00 0.00 43.02 38.98 1isk s PHE 30 CO 0.09 -2.02 -0.66 0.00 -0.05 0.00 0.00 175.22 172.58 1isk n ALA 31 N -3.16 -4.48 0.50 1.99 0.00 0.12 -4.87 120.51 110.60 1isk n ALA 31 Ca 0.15 -1.30 0.10 0.00 0.00 0.00 0.00 53.44 52.39 1isk n ALA 31 Cb 0.60 -1.13 -0.14 0.00 0.00 0.00 0.00 19.45 18.79 1isk n ALA 31 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1isk n ASP 32 N 0.68 0.61 -0.12 0.00 8.00 -1.26 -4.17 116.55 120.29 1isk n ASP 32 Ca -0.00 -0.52 0.08 0.00 0.71 0.00 0.00 54.79 55.06 1isk n ASP 32 Cb 0.65 1.45 0.12 0.00 -0.02 0.00 0.00 41.12 43.32 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 -1.83 2.38 -3.89 -2.24 9.92 -1.26 -0.08 116.55 119.56 1isk n ASP 33 Ca 0.00 -2.81 -0.29 0.00 -0.53 0.00 0.00 54.79 51.16 1isk n ASP 33 Cb 0.42 -0.33 0.27 0.00 -0.64 0.00 0.00 41.12 40.84 1isk n ASP 33 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1isk s ALA 34 N -2.40 -0.65 -0.05 2.24 0.00 -1.26 -4.13 121.76 115.51 1isk s ALA 34 Ca 0.25 -0.55 0.03 0.00 0.00 0.00 0.00 51.96 51.69 1isk s ALA 34 Cb 0.22 -3.06 0.01 0.00 0.00 0.00 0.00 23.12 20.28 1isk s ALA 34 CO 0.03 -4.29 -0.13 0.95 0.00 0.00 0.00 175.76 172.32 1isk s THR 35 N -2.37 1.12 0.04 0.00 -4.23 0.86 -1.41 115.64 109.65 1isk s THR 35 Ca 0.69 -0.52 0.01 0.00 -1.18 0.00 0.00 61.69 60.69 1isk s THR 35 Cb -0.18 -1.00 -0.04 0.00 1.34 0.00 0.00 72.50 72.62 1isk s THR 35 CO 0.61 0.34 0.11 -0.69 -0.54 0.00 0.00 174.62 174.44 1isk s VAL 36 N 0.34 4.78 -0.39 2.29 1.01 0.14 0.31 120.40 128.87 1isk s VAL 36 Ca -0.08 -0.56 0.05 0.00 0.00 0.00 0.00 61.98 61.40 1isk s VAL 36 Cb -0.12 -3.27 0.17 0.00 0.00 0.00 0.00 36.38 33.16 1isk s VAL 36 CO 0.02 0.21 0.49 -0.70 0.00 0.00 0.00 175.10 175.13 1isk s GLU 37 N -2.17 0.73 -0.04 2.72 -6.30 0.72 0.40 118.70 114.75 1isk s GLU 37 Ca 0.28 -0.60 -0.16 0.00 -2.50 0.00 0.00 54.97 51.99 1isk s GLU 37 Cb -0.12 -0.35 0.03 0.00 0.00 0.00 0.00 34.13 33.69 1isk s GLU 37 CO 0.20 -1.20 0.36 0.16 0.02 0.00 0.00 175.26 174.80 1isk s ASP 38 N 1.60 -0.27 0.00 -1.70 -4.77 -1.26 -0.54 116.67 109.72 1isk s ASP 38 Ca 0.17 0.28 0.00 0.00 -3.30 0.00 0.00 52.55 49.69 1isk s ASP 38 Cb -0.10 0.43 0.00 0.00 -1.09 0.00 0.00 42.92 42.15 1isk s ASP 38 CO -0.04 -0.40 0.24 -0.81 0.70 0.00 0.00 175.17 174.85 1isk n PRO 39 N 1.56 0.00 -3.45 2.11 -0.04 -1.26 -4.99 135.00 128.93 1isk n PRO 39 Ca -0.20 0.45 -0.11 0.00 -0.04 0.00 0.00 63.50 63.60 1isk n PRO 39 Cb 0.56 -1.08 -0.02 0.00 -0.04 0.00 0.00 33.50 32.93 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 -1.38 0.00 0.00 0.52 1.01 -1.26 -3.51 120.40 115.78 1isk s VAL 40 Ca 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 61.98 61.96 1isk s VAL 40 Cb 0.00 -1.03 0.00 0.00 0.00 0.00 0.00 36.38 35.35 1isk s VAL 40 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 175.10 175.71 1isk n GLY 41 N -0.36 3.42 0.00 4.51 0.00 -1.26 -5.04 105.19 106.46 1isk n GLY 41 Ca -0.15 -1.06 0.00 0.00 0.00 0.00 0.00 46.02 44.81 1isk n GLY 41 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1isk n SER 42 N 0.00 0.00 -2.08 1.61 7.64 -1.26 -5.10 113.62 114.44 1isk n SER 42 Ca 0.00 0.00 -0.02 0.00 1.01 0.00 0.00 58.87 59.86 1isk n SER 42 Cb 0.00 0.00 0.01 0.00 -1.01 0.00 0.00 64.21 63.21 1isk n SER 42 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 1isk n GLU 43 N -0.84 -0.57 -0.35 1.43 1.02 -1.26 -4.91 120.64 115.16 1isk n GLU 43 Ca 0.00 0.68 -0.07 0.00 -0.02 0.00 0.00 57.16 57.75 1isk n GLU 43 Cb 0.00 -3.03 0.05 0.00 -0.02 0.00 0.00 31.44 28.45 1isk n GLU 43 CO 0.00 0.00 0.00 -0.35 1.18 0.00 0.00 177.13 177.96 1isk n PRO 44 N -1.54 -0.90 -3.70 3.49 -0.04 -1.26 -4.77 135.00 126.28 1isk n PRO 44 Ca -0.01 -0.45 -0.14 0.00 -0.04 0.00 0.00 63.50 62.86 1isk n PRO 44 Cb 0.51 -0.36 -0.08 0.00 -0.04 0.00 0.00 33.50 33.54 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 -3.64 0.74 -0.10 0.54 1.81 0.16 -4.97 118.95 113.50 1isk s ARG 45 Ca 0.17 0.03 -0.08 0.00 -1.72 0.00 0.00 55.73 54.14 1isk s ARG 45 Cb -0.01 0.34 0.03 0.00 -0.45 0.00 0.00 34.95 34.86 1isk s ARG 45 CO 0.13 -0.20 0.25 -1.54 -0.68 0.00 0.00 175.30 173.26 1isk s SER 46 N -1.06 -0.27 0.00 0.23 1.04 -1.26 0.27 113.70 112.65 1isk s SER 46 Ca -0.11 0.52 0.00 0.00 0.48 0.00 0.00 55.95 56.84 1isk s SER 46 Cb -0.04 0.49 0.00 0.00 0.10 0.00 0.00 66.02 66.57 1isk s SER 46 CO 0.05 -0.11 0.00 0.61 0.98 0.00 0.00 173.24 174.77 1isk n GLY 47 N 3.29 1.90 0.43 7.32 0.00 -0.50 -4.50 105.19 113.12 1isk n GLY 47 Ca -0.16 -1.19 0.21 0.00 0.00 0.00 0.00 46.02 44.88 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 0.15 0.37 2.61 1.03 -0.72 0.19 112.91 116.54 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 0.35 0.00 0.00 -1.07 0.00 0.00 68.15 67.43 1isk h THR 48 CO 0.00 0.00 -0.18 0.00 -0.01 0.00 0.00 175.52 175.33 1isk h ALA 49 N 0.98 -0.89 -1.01 0.00 0.00 -1.87 0.06 119.26 116.54 1isk h ALA 49 Ca 0.27 -0.11 0.04 0.00 0.00 0.00 0.00 54.91 55.11 1isk h ALA 49 Cb 1.82 0.19 -0.06 0.00 0.00 0.00 0.00 17.79 19.74 1isk h ALA 49 CO -0.00 -0.85 0.66 0.00 0.00 0.00 0.00 179.25 179.06 1isk h ALA 50 N -1.65 1.34 -0.07 0.00 0.00 -1.23 -1.03 119.26 116.62 1isk h ALA 50 Ca -0.05 -0.04 0.04 0.00 0.00 0.00 0.00 54.91 54.85 1isk h ALA 50 Cb 0.39 -0.35 -0.05 0.00 0.00 0.00 0.00 17.79 17.77 1isk h ALA 50 CO 0.08 0.55 -0.29 0.82 0.00 0.00 0.00 179.25 180.42 1isk h ILE 51 N 1.27 0.35 -0.58 0.00 2.04 -0.72 0.10 117.51 119.97 1isk h ILE 51 Ca 0.40 0.00 0.05 0.00 1.00 0.00 0.00 64.86 66.31 1isk h ILE 51 Cb 0.02 0.35 -0.05 0.00 -0.74 0.00 0.00 36.82 36.40 1isk h ILE 51 CO -0.13 0.00 0.31 -0.09 0.00 0.00 0.00 178.15 178.24 1isk h ARG 52 N -0.39 0.57 -0.51 2.37 1.12 -0.34 0.32 114.38 117.52 1isk h ARG 52 Ca 0.08 -0.03 0.09 0.00 -1.11 0.00 0.00 59.98 59.01 1isk h ARG 52 Cb 0.51 -0.13 -0.07 0.00 -0.01 0.00 0.00 29.97 30.27 1isk h ARG 52 CO -0.29 0.38 0.10 1.49 -3.11 0.00 0.00 179.97 178.54 1isk h GLU 53 N 0.59 0.23 0.50 0.20 4.81 -0.13 0.46 114.58 121.24 1isk h GLU 53 Ca 0.25 -0.01 -0.02 0.00 -0.13 0.00 0.00 59.36 59.45 1isk h GLU 53 Cb 0.14 -0.05 0.00 0.00 0.63 0.00 0.00 28.75 29.48 1isk h GLU 53 CO -0.16 0.15 -0.24 0.35 -0.73 0.00 0.00 179.01 178.38 1isk h PHE 54 N 0.24 -0.63 -1.55 0.92 3.04 -0.07 -1.17 116.94 117.72 1isk h PHE 54 Ca 0.26 -0.01 0.46 0.00 3.98 0.00 0.00 57.97 62.65 1isk h PHE 54 Cb 0.35 0.21 -0.07 0.00 2.56 0.00 0.00 35.95 39.00 1isk h PHE 54 CO -0.23 -0.39 1.10 1.88 -2.02 0.00 0.00 178.31 178.65 1isk h TYR 55 N -0.83 0.09 0.11 0.41 0.05 -0.81 0.57 116.97 116.55 1isk h TYR 55 Ca -0.07 0.00 -0.01 0.00 0.05 0.00 0.00 58.73 58.71 1isk h TYR 55 Cb 0.52 -0.02 0.00 0.00 1.01 0.00 0.00 36.73 38.24 1isk h TYR 55 CO 0.06 -0.02 -0.06 0.00 -1.05 0.00 0.00 178.16 177.09 1isk h ALA 56 N 1.26 -0.15 -0.19 3.88 0.00 -0.72 -0.41 119.26 122.92 1isk h ALA 56 Ca 0.76 -0.25 0.06 0.00 0.00 0.00 0.00 54.91 55.48 1isk h ALA 56 Cb 2.95 0.06 -0.01 0.00 0.00 0.00 0.00 17.79 20.79 1isk h ALA 56 CO -0.07 -0.25 0.30 -0.91 0.00 0.00 0.00 179.25 178.32 1isk h ASN 57 N -0.83 0.00 0.00 0.00 2.35 0.13 0.33 115.58 117.57 1isk h ASN 57 Ca -0.02 0.00 -0.03 0.00 -0.55 0.00 0.00 56.30 55.70 1isk h ASN 57 Cb 0.56 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 38.92 1isk h ASN 57 CO 0.03 0.00 -0.18 0.28 -1.65 0.00 0.00 177.43 175.91 1isk h SER 58 N 0.00 0.00 0.28 5.81 0.02 -0.74 -3.26 113.55 115.66 1isk h SER 58 Ca 0.09 -0.85 0.00 0.00 -0.84 0.00 0.00 61.79 60.19 1isk h SER 58 Cb 0.69 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.23 1isk h SER 58 CO -0.00 1.03 0.00 -0.07 -1.14 0.00 0.00 176.83 176.65 1isk h LEU 59 N -1.00 0.00 -2.61 5.07 4.07 0.51 -1.26 115.31 120.09 1isk h LEU 59 Ca -0.05 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.91 1isk h LEU 59 Cb 0.96 0.00 -0.00 0.00 1.08 0.00 0.00 40.66 42.70 1isk h LEU 59 CO -0.03 0.00 0.12 0.11 -1.08 0.00 0.00 178.44 177.56 1isk h LYS 60 N 0.00 0.00 -5.84 1.13 1.57 -0.45 -3.40 116.57 109.58 1isk h LYS 60 Ca 0.00 0.00 -0.61 0.00 -1.87 0.00 0.00 60.65 58.17 1isk h LYS 60 Cb 0.14 0.00 -0.07 0.00 0.08 0.00 0.00 32.23 32.38 1isk h LYS 60 CO 0.00 0.00 -0.25 -1.17 -0.57 0.00 0.00 179.45 177.46 1isk s LEU 61 N -6.12 4.40 -1.19 2.94 2.96 -0.48 -4.97 118.68 116.23 1isk s LEU 61 Ca -0.04 0.80 -0.10 0.00 -0.22 0.00 0.00 54.13 54.57 1isk s LEU 61 Cb 0.12 -2.49 -0.07 0.00 0.50 0.00 0.00 46.19 44.25 1isk s LEU 61 CO 0.37 0.26 2.37 -0.81 -1.32 0.00 0.00 176.35 177.23 1isk n PRO 62 N 2.35 2.62 -3.92 0.98 -0.04 -1.26 -4.86 135.00 130.86 1isk n PRO 62 Ca -0.14 -1.89 -0.22 0.00 -0.04 0.00 0.00 63.50 61.21 1isk n PRO 62 Cb 0.52 -2.73 -0.05 0.00 -0.04 0.00 0.00 33.50 31.21 1isk n PRO 62 CO 0.00 0.00 0.00 -0.48 -0.04 0.00 0.00 175.50 174.98 1isk s LEU 63 N 0.53 3.39 -0.16 1.53 0.05 -1.26 -4.80 118.68 117.96 1isk s LEU 63 Ca 0.53 -0.69 -0.00 0.00 0.05 0.00 0.00 54.13 54.01 1isk s LEU 63 Cb 0.14 -1.93 0.04 0.00 -2.05 0.00 0.00 46.19 42.38 1isk s LEU 63 CO -0.03 -0.38 -0.07 0.00 -0.55 0.00 0.00 176.35 175.32 1isk s ALA 64 N -2.40 1.52 -0.06 1.48 0.00 -0.04 -4.94 121.76 117.33 1isk s ALA 64 Ca 0.41 -0.82 -0.13 0.00 0.00 0.00 0.00 51.96 51.42 1isk s ALA 64 Cb -0.03 -1.09 -0.05 0.00 0.00 0.00 0.00 23.12 21.94 1isk s ALA 64 CO 0.25 -0.70 0.34 0.08 0.00 0.00 0.00 175.76 175.73 1isk s VAL 65 N 1.62 5.18 -0.10 0.00 1.01 -1.26 -1.15 120.40 125.70 1isk s VAL 65 Ca 0.02 0.68 -0.30 0.00 0.00 0.00 0.00 61.98 62.37 1isk s VAL 65 Cb -0.15 -3.65 0.09 0.00 0.00 0.00 0.00 36.38 32.68 1isk s VAL 65 CO -0.08 0.54 0.80 -0.70 0.00 0.00 0.00 175.10 175.66 1isk s GLU 66 N -0.70 0.88 0.87 2.72 2.12 -0.46 -4.83 118.70 119.30 1isk s GLU 66 Ca 0.21 0.25 -0.13 0.00 0.36 0.00 0.00 54.97 55.66 1isk s GLU 66 Cb -0.15 0.41 0.12 0.00 0.26 0.00 0.00 34.13 34.77 1isk s GLU 66 CO 0.10 -0.27 1.18 -0.51 -0.54 0.00 0.00 175.26 175.22 1isk s LEU 67 N -1.09 2.30 0.00 2.70 1.43 -1.26 0.04 118.68 122.80 1isk s LEU 67 Ca -0.07 0.80 0.00 0.00 -1.03 0.00 0.00 54.13 53.83 1isk s LEU 67 Cb -0.00 -3.17 0.00 0.00 0.03 0.00 0.00 46.19 43.04 1isk s LEU 67 CO 0.06 -2.26 0.00 1.07 0.23 0.00 0.00 176.35 175.45 1isk n THR 68 N -3.55 0.00 0.00 5.49 5.66 -1.26 -4.78 114.28 115.84 1isk n THR 68 Ca 0.08 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.08 1isk n THR 68 Cb 0.60 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 69.38 1isk n THR 68 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1isk n GLN 69 N -1.03 0.00 -3.65 1.09 3.00 -1.23 -5.11 117.38 110.44 1isk n GLN 69 Ca 0.00 0.00 0.02 0.00 -0.01 0.00 0.00 57.00 57.01 1isk n GLN 69 Cb 0.00 -0.05 0.01 0.00 0.00 0.00 0.00 30.24 30.20 1isk n GLN 69 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.06 176.21 1isk n GLU 70 N 0.00 0.16 -4.26 -1.09 0.28 -1.26 -5.03 120.64 109.44 1isk n GLU 70 Ca 0.00 -0.66 -0.25 0.00 -0.16 0.00 0.00 57.16 56.09 1isk n GLU 70 Cb 0.00 1.09 -0.17 0.00 1.43 0.00 0.00 31.44 33.79 1isk n GLU 70 CO 0.00 0.00 0.00 0.08 -0.16 0.00 0.00 177.13 177.05 1isk s VAL 71 N -2.04 1.00 -0.60 3.84 1.01 -1.26 -1.60 120.40 120.75 1isk s VAL 71 Ca 0.25 -0.35 -0.08 0.00 0.00 0.00 0.00 61.98 61.81 1isk s VAL 71 Cb -0.01 -0.97 0.16 0.00 0.00 0.00 0.00 36.38 35.56 1isk s VAL 71 CO -0.00 0.34 0.46 -0.13 0.00 0.00 0.00 175.10 175.77 1isk s ARG 72 N 1.12 2.73 -0.28 2.72 1.81 0.90 -4.93 118.95 123.01 1isk s ARG 72 Ca -0.06 -2.18 -0.21 0.00 -1.72 0.00 0.00 55.73 51.56 1isk s ARG 72 Cb -0.14 -3.96 -0.01 0.00 -0.45 0.00 0.00 34.95 30.39 1isk s ARG 72 CO -0.01 -1.20 0.65 0.00 -0.68 0.00 0.00 175.30 174.05 1isk s ALA 73 N 0.60 3.57 -0.17 2.13 0.00 -1.26 -0.49 121.76 126.14 1isk s ALA 73 Ca 0.12 -0.53 -0.33 0.00 0.00 0.00 0.00 51.96 51.22 1isk s ALA 73 Cb -0.21 -3.09 0.14 0.00 0.00 0.00 0.00 23.12 19.96 1isk s ALA 73 CO -0.04 -0.97 1.16 0.08 0.00 0.00 0.00 175.76 175.99 1isk s VAL 74 N 2.60 0.00 -1.27 0.00 1.01 0.61 -4.76 120.40 118.58 1isk s VAL 74 Ca 0.26 0.00 -0.03 0.00 0.00 0.00 0.00 61.98 62.21 1isk s VAL 74 Cb -0.15 -1.00 0.01 0.00 0.00 0.00 0.00 36.38 35.24 1isk s VAL 74 CO 0.10 0.00 0.99 0.00 0.00 0.00 0.00 175.10 176.19 1isk n ALA 75 N 0.02 -1.82 -2.24 5.51 0.00 -1.26 -0.82 120.51 119.90 1isk n ALA 75 Ca -0.02 0.04 -0.06 0.00 0.00 0.00 0.00 53.44 53.40 1isk n ALA 75 Cb 0.59 -3.15 -0.01 0.00 0.00 0.00 0.00 19.45 16.88 1isk n ALA 75 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.50 177.77 1isk n ASN 76 N -3.07 -2.25 -3.77 0.00 0.23 -1.26 -4.87 115.26 100.27 1isk n ASN 76 Ca -0.21 0.32 -0.13 0.00 -0.53 0.00 0.00 54.58 54.03 1isk n ASN 76 Cb 0.64 -2.05 -0.14 0.00 -2.08 0.00 0.00 39.78 36.15 1isk n ASN 76 CO 0.00 0.00 0.00 -1.83 -0.93 0.00 0.00 177.26 174.50 1isk s GLU 77 N -4.57 0.14 -0.35 -3.83 -1.05 -0.00 -0.84 118.70 108.20 1isk s GLU 77 Ca 0.00 0.33 -0.11 0.00 -0.15 0.00 0.00 54.97 55.04 1isk s GLU 77 Cb 0.00 -0.08 0.00 0.00 -0.44 0.00 0.00 34.13 33.62 1isk s GLU 77 CO 0.00 -0.11 0.21 0.00 0.95 0.00 0.00 175.26 176.30 1isk s ALA 78 N 0.79 3.36 -0.39 -0.84 0.00 0.47 -0.28 121.76 124.86 1isk s ALA 78 Ca -0.06 -1.52 -0.04 0.00 0.00 0.00 0.00 51.96 50.33 1isk s ALA 78 Cb -0.08 -2.57 0.09 0.00 0.00 0.00 0.00 23.12 20.56 1isk s ALA 78 CO -0.04 -1.13 0.18 0.00 0.00 0.00 0.00 175.76 174.77 1isk s ALA 79 N 1.63 3.13 0.36 0.00 0.00 0.36 0.24 121.76 127.49 1isk s ALA 79 Ca 0.04 -2.29 0.08 0.00 0.00 0.00 0.00 51.96 49.80 1isk s ALA 79 Cb -0.18 -2.39 -0.06 0.00 0.00 0.00 0.00 23.12 20.49 1isk s ALA 79 CO 0.08 -1.66 0.02 -0.59 0.00 0.00 0.00 175.76 173.60 1isk s PHE 80 N 1.24 2.53 -0.25 0.00 -0.71 0.17 -0.07 117.98 120.88 1isk s PHE 80 Ca 0.04 -0.51 0.02 0.00 -1.04 0.00 0.00 56.93 55.45 1isk s PHE 80 Cb -0.22 -1.59 0.06 0.00 -1.21 0.00 0.00 43.02 40.06 1isk s PHE 80 CO -0.02 0.45 -0.10 0.00 -1.34 0.00 0.00 175.22 174.21 1isk s ALA 81 N -2.58 2.43 0.49 1.99 0.00 -0.63 0.14 121.76 123.59 1isk s ALA 81 Ca 0.35 -1.67 0.07 0.00 0.00 0.00 0.00 51.96 50.71 1isk s ALA 81 Cb 0.03 -1.55 0.02 0.00 0.00 0.00 0.00 23.12 21.61 1isk s ALA 81 CO 0.19 -1.20 0.47 -0.06 0.00 0.00 0.00 175.76 175.16 1isk s PHE 82 N 1.17 2.13 0.00 0.00 0.40 0.06 -3.52 117.98 118.22 1isk s PHE 82 Ca -0.08 -0.64 0.07 0.00 -0.60 0.00 0.00 56.93 55.67 1isk s PHE 82 Cb -0.20 -2.10 -0.02 0.00 0.51 0.00 0.00 43.02 41.21 1isk s PHE 82 CO -0.05 -0.43 -0.21 0.95 0.70 0.00 0.00 175.22 176.17 1isk s THR 83 N -2.60 1.70 -0.22 0.64 -4.23 0.11 -2.20 115.64 108.84 1isk s THR 83 Ca 0.46 -1.01 0.02 0.00 -1.18 0.00 0.00 61.69 59.98 1isk s THR 83 Cb -0.04 -1.43 0.04 0.00 1.34 0.00 0.00 72.50 72.41 1isk s THR 83 CO 0.28 0.40 -0.15 0.68 -0.54 0.00 0.00 174.62 175.29 1isk s VAL 84 N -0.59 2.14 -0.20 2.29 -7.23 0.12 -1.35 120.40 115.57 1isk s VAL 84 Ca 0.08 -1.29 -0.15 0.00 -1.81 0.00 0.00 61.98 58.81 1isk s VAL 84 Cb -0.08 -2.09 -0.04 0.00 0.56 0.00 0.00 36.38 34.73 1isk s VAL 84 CO -0.00 0.25 0.37 -0.55 -0.31 0.00 0.00 175.10 174.85 1isk s SER 85 N 1.20 6.40 -0.10 4.85 0.15 -0.30 -0.53 113.70 125.37 1isk s SER 85 Ca -0.02 0.47 -0.30 0.00 0.70 0.00 0.00 55.95 56.80 1isk s SER 85 Cb -0.17 -2.21 0.11 0.00 -1.71 0.00 0.00 66.02 62.04 1isk s SER 85 CO -0.09 -0.05 0.89 0.72 1.20 0.00 0.00 173.24 175.91 1isk s PHE 86 N 1.25 -0.44 -0.09 3.44 -0.71 -0.52 -0.86 117.98 120.05 1isk s PHE 86 Ca 0.18 0.66 0.04 0.00 -1.04 0.00 0.00 56.93 56.76 1isk s PHE 86 Cb -0.15 0.46 -0.01 0.00 -1.21 0.00 0.00 43.02 42.12 1isk s PHE 86 CO 0.07 -0.46 -0.21 -2.00 -1.34 0.00 0.00 175.22 171.29 1isk s GLU 87 N -1.59 2.94 0.40 1.99 2.12 -1.26 -0.99 118.70 122.31 1isk s GLU 87 Ca -0.03 -0.83 0.08 0.00 0.36 0.00 0.00 54.97 54.55 1isk s GLU 87 Cb -0.00 -2.34 -0.03 0.00 0.26 0.00 0.00 34.13 32.01 1isk s GLU 87 CO 0.01 0.28 0.33 0.71 -0.54 0.00 0.00 175.26 176.05 1isk s TYR 88 N 0.10 2.73 -0.53 5.30 1.51 0.03 -4.96 117.35 121.53 1isk s TYR 88 Ca -0.10 -0.47 -0.27 0.00 -1.01 0.00 0.00 57.07 55.22 1isk s TYR 88 Cb -0.16 -2.06 -0.27 0.00 -0.11 0.00 0.00 41.96 39.37 1isk s TYR 88 CO 0.06 -0.01 1.81 0.00 -1.11 0.00 0.00 175.55 176.30 1isk n GLN 89 N -1.46 0.58 0.00 -0.62 10.64 -1.26 -1.18 117.38 124.08 1isk n GLN 89 Ca 0.02 -1.51 0.00 0.00 -1.83 0.00 0.00 57.00 53.68 1isk n GLN 89 Cb 0.62 -3.01 0.00 0.00 -0.86 0.00 0.00 30.24 26.98 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 5.18 0.31 0.00 2.61 0.00 -1.26 -5.15 105.19 106.88 1isk n GLY 90 Ca 0.46 -0.01 0.00 0.00 0.00 0.00 0.00 46.02 46.47 1isk n GLY 90 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1isk n ARG 91 N 0.00 -3.47 -3.33 1.61 5.12 -0.32 -5.11 116.66 111.16 1isk n ARG 91 Ca 0.00 0.00 -0.30 0.00 -1.93 0.00 0.00 57.85 55.62 1isk n ARG 91 Cb 0.00 0.00 -0.04 0.00 -1.16 0.00 0.00 32.46 31.26 1isk n ARG 91 CO 0.00 0.00 0.00 0.15 -1.93 0.00 0.00 177.63 175.85 1isk s LYS 92 N -2.00 3.70 0.02 5.56 1.02 0.74 -0.79 119.74 127.99 1isk s LYS 92 Ca 0.00 0.14 -0.25 0.00 0.02 0.00 0.00 55.97 55.88 1isk s LYS 92 Cb 0.00 -2.63 0.06 0.00 -0.52 0.00 0.00 37.83 34.74 1isk s LYS 92 CO 0.00 0.23 0.57 0.99 -0.92 0.00 0.00 175.35 176.22 1isk s THR 93 N -2.01 0.02 -0.18 2.17 2.01 -0.16 0.19 115.64 117.68 1isk s THR 93 Ca 0.46 -0.14 -0.03 0.00 0.31 0.00 0.00 61.69 62.29 1isk s THR 93 Cb -0.11 -0.96 0.06 0.00 0.01 0.00 0.00 72.50 71.50 1isk s THR 93 CO 0.27 -0.08 0.04 0.54 -0.69 0.00 0.00 174.62 174.70 1isk s VAL 94 N -2.05 0.47 0.68 3.82 0.11 0.08 -1.45 120.40 122.06 1isk s VAL 94 Ca -0.07 -0.46 -0.08 0.00 -2.93 0.00 0.00 61.98 58.44 1isk s VAL 94 Cb -0.01 -0.95 0.04 0.00 -1.53 0.00 0.00 36.38 33.93 1isk s VAL 94 CO 0.02 -0.16 1.01 -0.69 -3.33 0.00 0.00 175.10 171.94 1isk s VAL 95 N 1.89 2.84 -0.41 2.04 1.01 0.31 -1.11 120.40 126.97 1isk s VAL 95 Ca -0.00 -0.05 0.08 0.00 0.00 0.00 0.00 61.98 62.01 1isk s VAL 95 Cb -0.16 -3.21 0.25 0.00 0.00 0.00 0.00 36.38 33.25 1isk s VAL 95 CO -0.08 -0.23 0.58 0.00 0.00 0.00 0.00 175.10 175.37 1isk n ALA 96 N -2.87 1.81 -1.55 5.51 0.00 0.15 0.16 120.51 123.72 1isk n ALA 96 Ca 0.07 -3.07 -0.30 0.00 0.00 0.00 0.00 53.44 50.14 1isk n ALA 96 Cb 0.59 -0.90 0.10 0.00 0.00 0.00 0.00 19.45 19.25 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 -0.87 1.89 -0.19 0.00 0.04 -0.93 -4.71 135.00 130.23 1isk s PRO 97 Ca 0.35 0.57 -0.01 0.00 0.04 0.00 0.00 61.00 61.94 1isk s PRO 97 Cb 0.18 -1.90 0.00 0.00 0.04 0.00 0.00 34.50 32.82 1isk s PRO 97 CO -0.13 -1.74 -0.12 0.42 0.04 0.00 0.00 177.00 175.47 1isk s ILE 98 N -3.18 2.82 -0.27 0.56 1.01 -0.04 -0.76 121.20 121.34 1isk s ILE 98 Ca 0.61 -0.69 -0.15 0.00 0.00 0.00 0.00 60.65 60.42 1isk s ILE 98 Cb -0.14 -2.23 -0.04 0.00 0.01 0.00 0.00 42.46 40.06 1isk s ILE 98 CO 0.54 0.49 0.38 -1.81 0.00 0.00 0.00 174.94 174.54 1isk s ASP 99 N 1.17 6.27 -0.41 3.58 -0.00 0.12 0.12 116.67 127.52 1isk s ASP 99 Ca 0.02 0.31 -0.02 0.00 -0.00 0.00 0.00 52.55 52.85 1isk s ASP 99 Cb -0.14 -2.22 0.11 0.00 -0.00 0.00 0.00 42.92 40.67 1isk s ASP 99 CO -0.04 -0.19 0.20 -2.28 -0.00 0.00 0.00 175.17 172.85 1isk s HIS 100 N 2.07 3.60 0.13 4.23 2.46 0.80 -0.65 115.29 127.93 1isk s HIS 100 Ca 0.15 -2.50 -0.21 0.00 0.47 0.00 0.00 55.06 52.98 1isk s HIS 100 Cb -0.16 -3.19 -0.07 0.00 -0.13 0.00 0.00 32.58 29.02 1isk s HIS 100 CO 0.10 -0.97 0.66 -0.06 -2.47 0.00 0.00 174.74 172.01 1isk s PHE 101 N 1.07 3.81 -0.37 3.88 0.40 0.14 -1.50 117.98 125.40 1isk s PHE 101 Ca 0.09 1.40 -0.01 0.00 -0.60 0.00 0.00 56.93 57.81 1isk s PHE 101 Cb -0.22 -2.60 0.09 0.00 0.51 0.00 0.00 43.02 40.80 1isk s PHE 101 CO -0.05 0.51 0.13 1.03 0.70 0.00 0.00 175.22 177.55 1isk s ARG 102 N -1.31 2.02 -0.28 0.44 0.52 0.76 -0.39 118.95 120.70 1isk s ARG 102 Ca 0.34 -1.70 -0.29 0.00 -0.52 0.00 0.00 55.73 53.56 1isk s ARG 102 Cb -0.20 -3.43 0.01 0.00 0.52 0.00 0.00 34.95 31.86 1isk s ARG 102 CO 0.22 -0.94 1.07 -0.06 0.02 0.00 0.00 175.30 175.61 1isk s PHE 103 N 1.13 3.21 0.00 -0.53 0.40 -0.02 -1.45 117.98 120.72 1isk s PHE 103 Ca 0.05 1.29 0.00 0.00 -0.60 0.00 0.00 56.93 57.68 1isk s PHE 103 Cb -0.21 -3.53 0.00 0.00 0.51 0.00 0.00 43.02 39.78 1isk s PHE 103 CO -0.04 -0.69 0.00 -1.71 0.70 0.00 0.00 175.22 173.48 1isk n ASN 104 N 6.67 0.00 -1.66 1.36 2.85 -0.62 -4.82 115.26 119.04 1isk n ASN 104 Ca 0.12 0.00 -0.18 0.00 -0.11 0.00 0.00 54.58 54.41 1isk n ASN 104 Cb 0.47 0.00 -0.07 0.00 1.24 0.00 0.00 39.78 41.42 1isk n ASN 104 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 1isk n GLY 105 N 0.00 1.43 2.50 8.20 0.00 -1.26 -1.29 105.19 114.76 1isk n GLY 105 Ca 0.00 0.00 -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 0.64 -1.00 0.00 4.61 0.00 -1.26 -4.45 120.51 119.05 1isk n ALA 106 Ca -0.19 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.25 1isk n ALA 106 Cb 0.61 -0.51 0.00 0.00 0.00 0.00 0.00 19.45 19.55 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 -0.50 0.00 0.00 0.00 0.00 -0.84 -5.06 105.19 98.79 1isk n GLY 107 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1isk n GLY 107 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 1isk n LYS 108 N -2.10 -1.32 -1.62 1.61 2.85 -0.41 -4.91 118.16 112.26 1isk n LYS 108 Ca 0.00 0.00 -0.51 0.00 -1.05 0.00 0.00 58.31 56.75 1isk n LYS 108 Cb 0.10 0.00 -0.06 0.00 -0.65 0.00 0.00 35.03 34.42 1isk n LYS 108 CO 0.00 0.00 0.00 0.28 -0.05 0.00 0.00 177.40 177.63 1isk n VAL 109 N 6.82 0.40 0.30 0.58 0.31 -1.26 -1.59 118.33 123.89 1isk n VAL 109 Ca 0.00 -0.16 0.04 0.00 -0.01 0.00 0.00 64.34 64.21 1isk n VAL 109 Cb 0.00 -1.71 0.04 0.00 -0.91 0.00 0.00 33.84 31.26 1isk n VAL 109 CO 0.00 0.00 0.00 0.52 -1.32 0.00 0.00 176.83 176.03 1isk n VAL 110 N 5.76 0.07 -3.15 2.52 0.31 -0.53 -0.71 118.33 122.61 1isk n VAL 110 Ca 0.29 -0.53 0.04 0.00 -0.01 0.00 0.00 64.34 64.13 1isk n VAL 110 Cb 0.25 1.12 -0.01 0.00 -0.91 0.00 0.00 33.84 34.29 1isk n VAL 110 CO 0.00 0.00 0.00 -0.55 -1.32 0.00 0.00 176.83 174.96 1isk s SER 111 N -0.69 -1.36 -0.11 4.52 0.15 -1.19 -0.10 113.70 114.92 1isk s SER 111 Ca 0.10 0.72 0.03 0.00 0.70 0.00 0.00 55.95 57.50 1isk s SER 111 Cb 0.07 2.09 -0.00 0.00 -1.71 0.00 0.00 66.02 66.47 1isk s SER 111 CO 0.10 -0.25 -0.22 0.00 1.20 0.00 0.00 173.24 174.07 1isk s MET 112 N 2.86 3.11 0.35 5.44 0.23 0.15 -0.17 119.30 131.26 1isk s MET 112 Ca 0.18 -0.85 0.04 0.00 -1.03 0.00 0.00 55.69 54.03 1isk s MET 112 Cb -0.14 -2.36 -0.05 0.00 -1.53 0.00 0.00 34.83 30.75 1isk s MET 112 CO -0.21 0.18 0.07 1.03 -2.03 0.00 0.00 175.02 174.06 1isk s ARG 113 N 0.36 1.72 0.10 3.16 3.00 -0.56 -0.20 118.95 126.53 1isk s ARG 113 Ca -0.17 -1.98 0.02 0.00 0.00 0.00 0.00 55.73 53.60 1isk s ARG 113 Cb -0.18 -0.84 -0.04 0.00 0.00 0.00 0.00 34.95 33.90 1isk s ARG 113 CO 0.08 -0.25 -0.08 0.00 0.00 0.00 0.00 175.30 175.05 1isk s ALA 114 N -3.27 1.04 -0.14 2.13 0.00 0.30 -0.14 121.76 121.68 1isk s ALA 114 Ca 0.33 -1.31 -0.04 0.00 0.00 0.00 0.00 51.96 50.94 1isk s ALA 114 Cb 0.07 0.12 0.05 0.00 0.00 0.00 0.00 23.12 23.36 1isk s ALA 114 CO 0.15 -0.17 0.07 -1.17 0.00 0.00 0.00 175.76 174.63 1isk s LEU 115 N -2.89 0.49 0.00 0.00 0.20 0.12 -4.20 118.68 112.40 1isk s LEU 115 Ca 0.10 -0.47 0.04 0.00 0.69 0.00 0.00 54.13 54.49 1isk s LEU 115 Cb 0.03 -0.31 0.04 0.00 -0.43 0.00 0.00 46.19 45.52 1isk s LEU 115 CO -0.03 -0.31 0.32 0.49 -0.29 0.00 0.00 176.35 176.53 1isk n PHE 116 N 5.23 -1.71 -3.39 5.38 3.01 -1.26 -0.86 117.46 123.85 1isk n PHE 116 Ca -0.07 -1.21 -0.04 0.00 1.01 0.00 0.00 57.45 57.14 1isk n PHE 116 Cb 0.49 -0.27 0.01 0.00 -0.01 0.00 0.00 39.48 39.70 1isk n PHE 116 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1isk n GLY 117 N 1.29 1.87 0.06 1.37 0.00 -1.26 -5.00 105.19 103.53 1isk n GLY 117 Ca 0.03 -1.18 -0.01 0.00 0.00 0.00 0.00 46.02 44.86 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 -0.20 0.74 -0.27 1.61 4.71 -1.26 -4.19 120.64 121.78 1isk n GLU 118 Ca -0.02 -0.09 0.11 0.00 -0.01 0.00 0.00 57.16 57.15 1isk n GLU 118 Cb 0.22 -1.50 0.26 0.00 -1.01 0.00 0.00 31.44 29.41 1isk n GLU 118 CO 0.00 0.00 0.00 0.36 0.09 0.00 0.00 177.13 177.58 1isk n LYS 119 N -2.52 2.60 -0.93 3.49 2.85 -1.26 -4.14 118.16 118.26 1isk n LYS 119 Ca -0.20 -2.44 -0.04 0.00 -1.05 0.00 0.00 58.31 54.58 1isk n LYS 119 Cb 0.89 -1.52 0.29 0.00 -0.65 0.00 0.00 35.03 34.04 1isk n LYS 119 CO 0.00 0.00 0.00 0.27 -0.05 0.00 0.00 177.40 177.62 1isk n ASN 120 N 1.51 4.69 -4.07 -5.58 6.94 -1.26 -4.87 115.26 112.63 1isk n ASN 120 Ca 0.21 -3.07 -0.22 0.00 -0.02 0.00 0.00 54.58 51.48 1isk n ASN 120 Cb 0.60 -0.72 -0.15 0.00 -2.36 0.00 0.00 39.78 37.15 1isk n ASN 120 CO 0.00 0.00 0.00 -0.63 -1.03 0.00 0.00 177.26 175.60 1isk s ILE 121 N -2.74 1.04 -0.30 1.53 1.01 -1.26 0.30 121.20 120.78 1isk s ILE 121 Ca 0.50 -0.52 0.02 0.00 0.00 0.00 0.00 60.65 60.65 1isk s ILE 121 Cb 0.40 -0.90 0.09 0.00 0.01 0.00 0.00 42.46 42.06 1isk s ILE 121 CO 0.13 0.31 0.03 -1.00 0.00 0.00 0.00 174.94 174.40 1isk s HIS 122 N -0.02 2.87 0.91 3.97 3.76 -0.27 -4.95 115.29 121.56 1isk s HIS 122 Ca -0.00 -2.33 -0.14 0.00 -0.15 0.00 0.00 55.06 52.44 1isk s HIS 122 Cb -0.08 -2.22 0.15 0.00 1.11 0.00 0.00 32.58 31.54 1isk s HIS 122 CO 0.01 -0.88 1.21 0.00 -0.85 0.00 0.00 174.74 174.22 1isk s ALA 123 N 1.22 2.13 0.00 -1.40 0.00 -1.26 -0.74 121.76 121.71 1isk s ALA 123 Ca 0.05 -0.80 0.00 0.00 0.00 0.00 0.00 51.96 51.21 1isk s ALA 123 Cb -0.19 -2.92 0.00 0.00 0.00 0.00 0.00 23.12 20.02 1isk s ALA 123 CO -0.12 -2.22 0.00 0.41 0.00 0.00 0.00 175.76 173.83 1isk n GLY 124 N -2.97 -2.58 0.70 0.00 0.00 0.13 -4.87 105.19 95.61 1isk n GLY 124 Ca 0.10 -1.31 0.09 0.00 0.00 0.00 0.00 46.02 44.90 1isk n GLY 124 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32