#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 0.18 -4.06 7.83 4.13 -1.26 -4.49 115.26 117.59 1isk n ASN 2 Ca 0.00 -2.90 -0.14 0.00 1.68 0.00 0.00 54.58 53.22 1isk n ASN 2 Cb 0.00 0.03 -0.12 0.00 -1.54 0.00 0.00 39.78 38.15 1isk n ASN 2 CO 0.00 0.00 0.00 0.28 0.28 0.00 0.00 177.26 177.82 1isk s THR 3 N -1.89 0.59 0.13 3.41 -1.32 -1.26 -4.91 115.64 110.38 1isk s THR 3 Ca 0.30 -1.03 -0.05 0.00 -1.21 0.00 0.00 61.69 59.69 1isk s THR 3 Cb 0.39 -0.63 -0.17 0.00 -1.51 0.00 0.00 72.50 70.58 1isk s THR 3 CO -0.03 -0.32 1.32 1.55 -2.21 0.00 0.00 174.62 174.93 1isk h PRO 4 N 4.60 0.48 0.06 7.08 0.13 -1.92 -1.32 132.00 141.10 1isk h PRO 4 Ca -0.36 -0.47 0.00 0.00 -0.87 0.00 0.00 66.00 64.31 1isk h PRO 4 Cb 1.20 0.12 -0.01 0.00 0.13 0.00 0.00 31.00 32.45 1isk h PRO 4 CO 0.41 1.11 -0.05 1.49 -0.23 0.00 0.00 178.00 180.73 1isk h GLU 5 N 0.29 -0.12 -0.17 0.86 4.22 -1.99 0.20 114.58 117.87 1isk h GLU 5 Ca -0.07 0.01 -0.03 0.00 0.08 0.00 0.00 59.36 59.35 1isk h GLU 5 Cb 1.51 0.03 -0.01 0.00 0.50 0.00 0.00 28.75 30.78 1isk h GLU 5 CO 0.16 -0.08 -0.02 1.25 -2.18 0.00 0.00 179.01 178.14 1isk h HIS 6 N -0.12 0.35 -0.38 0.92 2.76 -1.99 -1.29 115.15 115.40 1isk h HIS 6 Ca 0.00 -0.07 0.08 0.00 -2.20 0.00 0.00 60.37 58.19 1isk h HIS 6 Cb 0.12 -0.09 -0.08 0.00 1.55 0.00 0.00 27.41 28.92 1isk h HIS 6 CO -0.10 0.55 -0.14 0.52 -1.30 0.00 0.00 177.93 177.46 1isk h MET 7 N 0.05 -0.05 -0.26 5.26 2.86 -1.04 0.37 114.93 122.12 1isk h MET 7 Ca 0.05 0.00 -0.00 0.00 -2.06 0.00 0.00 59.70 57.69 1isk h MET 7 Cb 0.42 0.01 -0.01 0.00 0.06 0.00 0.00 31.60 32.08 1isk h MET 7 CO 0.01 -0.04 0.15 1.15 1.06 0.00 0.00 176.91 179.24 1isk h THR 8 N -0.06 1.11 -0.62 2.22 2.02 -0.54 -0.28 112.91 116.76 1isk h THR 8 Ca 0.19 -0.29 0.08 0.00 0.77 0.00 0.00 66.41 67.16 1isk h THR 8 Cb 0.34 0.84 -0.04 0.00 -1.74 0.00 0.00 68.15 67.55 1isk h THR 8 CO -0.42 0.11 0.41 0.00 0.37 0.00 0.00 175.52 175.99 1isk h ALA 9 N 1.03 1.88 -0.39 6.16 0.00 -0.28 0.41 119.26 128.06 1isk h ALA 9 Ca 0.09 -0.01 -0.14 0.00 0.00 0.00 0.00 54.91 54.85 1isk h ALA 9 Cb 0.05 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.70 1isk h ALA 9 CO -0.02 0.00 -0.30 0.28 0.00 0.00 0.00 179.25 179.22 1isk h VAL 10 N 0.54 1.28 -0.39 0.00 2.07 0.57 -0.87 116.25 119.45 1isk h VAL 10 Ca 0.28 -1.47 0.03 0.00 0.82 0.00 0.00 66.70 66.36 1isk h VAL 10 Cb 0.39 1.34 -0.03 0.00 -1.52 0.00 0.00 31.29 31.47 1isk h VAL 10 CO -0.08 0.49 0.19 0.58 0.02 0.00 0.00 177.57 178.77 1isk h VAL 11 N 0.71 0.98 0.65 2.57 2.07 0.75 0.23 116.25 124.21 1isk h VAL 11 Ca 0.07 -0.14 -0.03 0.00 0.82 0.00 0.00 66.70 67.43 1isk h VAL 11 Cb 0.89 0.55 0.01 0.00 -1.52 0.00 0.00 31.29 31.21 1isk h VAL 11 CO 0.08 0.07 -0.31 -0.61 0.02 0.00 0.00 177.57 176.82 1isk h GLN 12 N 0.40 -0.84 -0.94 1.57 5.75 -1.07 -0.10 115.11 119.89 1isk h GLN 12 Ca 0.16 0.06 0.26 0.00 -0.15 0.00 0.00 58.65 58.98 1isk h GLN 12 Cb 0.07 0.19 -0.14 0.00 1.07 0.00 0.00 27.48 28.67 1isk h GLN 12 CO -0.11 -0.56 0.41 -0.09 -2.65 0.00 0.00 178.83 175.84 1isk h ARG 13 N -0.97 0.32 0.58 1.69 2.43 -1.08 0.19 114.38 117.55 1isk h ARG 13 Ca -0.09 -0.02 -0.03 0.00 -0.81 0.00 0.00 59.98 59.03 1isk h ARG 13 Cb 0.66 -0.07 0.01 0.00 -0.42 0.00 0.00 29.97 30.15 1isk h ARG 13 CO 0.15 0.21 -0.28 -0.92 -1.51 0.00 0.00 179.97 177.61 1isk h TYR 14 N 0.32 -0.73 -0.86 2.20 3.20 -0.39 -1.36 116.97 119.35 1isk h TYR 14 Ca 0.62 -0.02 0.22 0.00 3.14 0.00 0.00 58.73 62.70 1isk h TYR 14 Cb 1.30 0.24 -0.14 0.00 1.54 0.00 0.00 36.73 39.67 1isk h TYR 14 CO -0.13 -0.42 0.23 0.28 -1.64 0.00 0.00 178.16 176.48 1isk h VAL 15 N -0.87 0.34 0.81 1.81 2.07 0.92 0.39 116.25 121.73 1isk h VAL 15 Ca -0.08 -0.08 -0.04 0.00 0.82 0.00 0.00 66.70 67.33 1isk h VAL 15 Cb 0.63 0.10 -0.00 0.00 -1.52 0.00 0.00 31.29 30.50 1isk h VAL 15 CO 0.13 0.04 -0.47 0.00 0.02 0.00 0.00 177.57 177.29 1isk h ALA 16 N 1.76 -1.24 -0.98 1.67 0.00 -0.92 0.23 119.26 119.78 1isk h ALA 16 Ca 0.53 -0.25 0.27 0.00 0.00 0.00 0.00 54.91 55.46 1isk h ALA 16 Cb 1.05 0.57 -0.05 0.00 0.00 0.00 0.00 17.79 19.36 1isk h ALA 16 CO -0.63 -1.21 0.68 0.00 0.00 0.00 0.00 179.25 178.09 1isk h ALA 17 N -1.11 2.67 0.43 0.00 0.00 0.21 0.46 119.26 121.93 1isk h ALA 17 Ca -0.11 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.77 1isk h ALA 17 Cb 0.95 0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.79 1isk h ALA 17 CO 0.13 -0.98 -0.21 1.25 0.00 0.00 0.00 179.25 179.44 1isk h LEU 18 N 0.15 -0.49 -1.94 0.00 5.85 0.76 -0.26 115.31 119.37 1isk h LEU 18 Ca 0.49 -0.10 0.00 0.00 0.84 0.00 0.00 57.88 59.12 1isk h LEU 18 Cb 1.69 0.13 0.00 0.00 0.37 0.00 0.00 40.66 42.84 1isk h LEU 18 CO -0.09 -0.09 0.00 -1.13 -0.34 0.00 0.00 178.44 176.79 1isk h ASN 19 N -1.00 0.00 0.96 1.25 -1.24 0.15 0.39 115.58 116.10 1isk h ASN 19 Ca -0.06 0.00 -0.18 0.00 0.71 0.00 0.00 56.30 56.78 1isk h ASN 19 Cb 0.56 0.00 -0.03 0.00 0.73 0.00 0.00 38.32 39.58 1isk h ASN 19 CO 0.10 0.00 -1.11 0.00 -1.29 0.00 0.00 177.43 175.13 1isk h ALA 20 N 2.01 0.62 -0.38 1.57 0.00 0.14 -3.48 119.26 119.74 1isk h ALA 20 Ca 0.00 -0.83 -0.02 0.00 0.00 0.00 0.00 54.91 54.05 1isk h ALA 20 Cb 0.01 0.12 0.00 0.00 0.00 0.00 0.00 17.79 17.93 1isk h ALA 20 CO 0.00 0.99 -0.03 0.41 0.00 0.00 0.00 179.25 180.62 1isk n GLY 21 N 1.36 0.43 2.55 0.00 0.00 0.14 -4.96 105.19 104.72 1isk n GLY 21 Ca -0.05 -0.80 -0.40 0.00 0.00 0.00 0.00 46.02 44.76 1isk n GLY 21 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1isk n ASP 22 N 1.68 7.74 -0.64 1.61 10.43 -0.55 -4.75 116.55 132.08 1isk n ASP 22 Ca -0.01 -3.37 0.49 0.00 2.57 0.00 0.00 54.79 54.47 1isk n ASP 22 Cb 0.51 -1.28 0.78 0.00 1.84 0.00 0.00 41.12 42.97 1isk n ASP 22 CO 0.00 0.00 0.00 -0.07 -1.07 0.00 0.00 177.20 176.06 1isk h LEU 23 N 4.95 0.07 0.32 0.64 3.38 -1.93 0.53 115.31 123.26 1isk h LEU 23 Ca 0.63 0.05 -0.02 0.00 0.09 0.00 0.00 57.88 58.64 1isk h LEU 23 Cb 0.31 0.06 0.00 0.00 0.09 0.00 0.00 40.66 41.12 1isk h LEU 23 CO 1.34 -0.09 -0.15 -2.24 0.09 0.00 0.00 178.44 177.39 1isk h ASP 24 N 0.00 -0.36 -0.87 -0.43 3.04 -1.96 0.24 116.42 116.08 1isk h ASP 24 Ca 0.93 0.01 0.21 0.00 -3.24 0.00 0.00 57.03 54.94 1isk h ASP 24 Cb 3.49 0.09 -0.13 0.00 -1.04 0.00 0.00 39.33 41.75 1isk h ASP 24 CO -0.17 -0.11 0.33 1.23 -2.04 0.00 0.00 179.24 178.48 1isk h GLY 25 N -0.71 1.43 1.04 7.15 0.00 -0.52 0.57 103.07 112.03 1isk h GLY 25 Ca -0.04 -0.12 -0.07 0.00 0.00 0.00 0.00 47.33 47.09 1isk h GLY 25 CO 0.07 -0.27 0.11 -2.22 0.00 0.00 0.00 176.54 174.22 1isk h ILE 26 N 0.35 1.26 0.00 2.60 2.04 -0.67 0.50 117.51 123.58 1isk h ILE 26 Ca 0.54 -1.00 -0.01 0.00 1.00 0.00 0.00 64.86 65.39 1isk h ILE 26 Cb 1.02 0.70 -0.00 0.00 -0.74 0.00 0.00 36.82 37.80 1isk h ILE 26 CO -0.55 0.37 -0.06 0.58 0.00 0.00 0.00 178.15 178.50 1isk h VAL 27 N 0.94 0.20 0.00 1.67 2.07 0.21 -1.27 116.25 120.06 1isk h VAL 27 Ca 0.19 -0.49 -0.05 0.00 0.82 0.00 0.00 66.70 67.18 1isk h VAL 27 Cb 0.42 1.40 -0.01 0.00 -1.52 0.00 0.00 31.29 31.58 1isk h VAL 27 CO 0.01 0.06 -1.34 0.00 0.02 0.00 0.00 177.57 176.32 1isk n ALA 28 N -2.15 2.42 0.41 1.67 0.00 0.12 -4.30 120.51 118.68 1isk n ALA 28 Ca -0.01 -0.39 -0.16 0.00 0.00 0.00 0.00 53.44 52.88 1isk n ALA 28 Cb 0.26 -0.97 -0.08 0.00 0.00 0.00 0.00 19.45 18.65 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 -0.93 0.00 0.00 6.46 0.12 -3.45 115.31 117.51 1isk h LEU 29 Ca -0.05 0.04 -0.21 0.00 -0.12 0.00 0.00 57.88 57.54 1isk h LEU 29 Cb 1.16 0.25 0.04 0.00 -0.73 0.00 0.00 40.66 41.38 1isk h LEU 29 CO 0.01 -0.64 0.07 2.22 -0.62 0.00 0.00 178.44 179.47 1isk n PHE 30 N -4.90 -3.26 -0.62 1.25 1.16 -1.16 -4.83 117.46 105.10 1isk n PHE 30 Ca -0.13 -0.77 -0.22 0.00 -1.87 0.00 0.00 57.45 54.47 1isk n PHE 30 Cb 0.42 -0.34 0.13 0.00 -1.61 0.00 0.00 39.48 38.08 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 -3.00 -1.52 0.21 1.98 0.00 0.11 -4.86 120.51 113.42 1isk n ALA 31 Ca -0.08 -1.05 0.09 0.00 0.00 0.00 0.00 53.44 52.41 1isk n ALA 31 Cb 0.27 -0.93 -0.14 0.00 0.00 0.00 0.00 19.45 18.65 1isk n ALA 31 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1isk n ASP 32 N -0.53 0.73 -0.25 0.00 8.00 -1.26 -4.25 116.55 118.99 1isk n ASP 32 Ca 0.03 -0.23 0.02 0.00 0.71 0.00 0.00 54.79 55.33 1isk n ASP 32 Cb 0.42 1.65 0.05 0.00 -0.02 0.00 0.00 41.12 43.22 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 -1.97 2.14 -4.13 -2.24 5.68 -1.26 -2.36 116.55 112.40 1isk n ASP 33 Ca -0.02 -1.80 -0.36 0.00 -0.50 0.00 0.00 54.79 52.12 1isk n ASP 33 Cb 0.44 -0.07 0.09 0.00 -1.14 0.00 0.00 41.12 40.44 1isk n ASP 33 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1isk n ALA 34 N 0.02 -4.94 -3.67 2.12 0.00 -1.26 -2.87 120.51 109.91 1isk n ALA 34 Ca 0.04 -1.23 -0.24 0.00 0.00 0.00 0.00 53.44 52.01 1isk n ALA 34 Cb 0.27 -1.17 -0.17 0.00 0.00 0.00 0.00 19.45 18.38 1isk n ALA 34 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 1isk s THR 35 N -2.12 0.92 -0.04 0.00 -4.23 -0.20 -0.94 115.64 109.03 1isk s THR 35 Ca 0.45 -0.30 -0.02 0.00 -1.18 0.00 0.00 61.69 60.64 1isk s THR 35 Cb -0.03 -0.91 -0.04 0.00 1.34 0.00 0.00 72.50 72.87 1isk s THR 35 CO 0.68 0.33 0.10 -0.69 -0.54 0.00 0.00 174.62 174.49 1isk s VAL 36 N 1.16 4.93 -0.37 2.29 1.01 -0.33 0.10 120.40 129.20 1isk s VAL 36 Ca -0.06 -0.23 0.14 0.00 0.00 0.00 0.00 61.98 61.82 1isk s VAL 36 Cb -0.14 -3.22 0.42 0.00 0.00 0.00 0.00 36.38 33.44 1isk s VAL 36 CO -0.02 0.43 0.93 1.21 0.00 0.00 0.00 175.10 177.65 1isk n GLU 37 N 1.42 1.63 -4.87 2.72 0.00 0.55 0.09 120.64 122.18 1isk n GLU 37 Ca -0.15 -3.60 -0.33 0.00 0.00 0.00 0.00 57.16 53.09 1isk n GLU 37 Cb 0.53 -1.58 -0.13 0.00 0.00 0.00 0.00 31.44 30.26 1isk n GLU 37 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 177.13 177.29 1isk s ASP 38 N -3.06 4.04 -0.03 4.31 -4.77 -1.26 -1.38 116.67 114.53 1isk s ASP 38 Ca 0.35 -0.20 -0.04 0.00 -3.30 0.00 0.00 52.55 49.36 1isk s ASP 38 Cb 0.41 -0.93 -0.02 0.00 -1.09 0.00 0.00 42.92 41.29 1isk s ASP 38 CO -0.04 0.33 0.31 1.55 0.70 0.00 0.00 175.17 178.02 1isk h PRO 39 N 5.47 -0.14 -4.82 2.11 0.13 -1.98 -3.48 132.00 129.28 1isk h PRO 39 Ca -0.45 0.01 -0.41 0.00 -0.87 0.00 0.00 66.00 64.28 1isk h PRO 39 Cb 1.16 0.03 -0.14 0.00 0.13 0.00 0.00 31.00 32.18 1isk h PRO 39 CO 0.51 -0.09 -0.53 0.08 -0.23 0.00 0.00 178.00 177.74 1isk s VAL 40 N -1.99 0.03 0.00 1.56 1.01 -1.25 -2.47 120.40 117.29 1isk s VAL 40 Ca -0.02 -2.00 0.00 0.00 0.00 0.00 0.00 61.98 59.96 1isk s VAL 40 Cb 0.00 -2.50 0.00 0.00 0.00 0.00 0.00 36.38 33.89 1isk s VAL 40 CO 0.06 0.00 0.00 0.61 0.00 0.00 0.00 175.10 175.77 1isk n GLY 41 N -0.53 1.03 1.29 4.51 0.00 -1.26 -4.95 105.19 105.26 1isk n GLY 41 Ca 0.05 -0.60 -0.12 0.00 0.00 0.00 0.00 46.02 45.35 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 -0.14 0.00 1.61 3.41 -1.26 -4.45 113.62 112.80 1isk n SER 42 Ca 0.00 -0.03 0.00 0.00 -0.26 0.00 0.00 58.87 58.58 1isk n SER 42 Cb 0.00 -0.28 0.00 0.00 -0.26 0.00 0.00 64.21 63.67 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 2.72 0.00 -2.54 4.33 1.02 -1.26 -5.16 120.64 119.75 1isk n GLU 43 Ca 0.25 0.00 -0.36 0.00 -0.02 0.00 0.00 57.16 57.03 1isk n GLU 43 Cb 0.03 0.00 -0.04 0.00 -0.02 0.00 0.00 31.44 31.41 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 0.00 4.05 -0.27 3.49 0.04 -1.26 -4.90 135.00 136.15 1isk s PRO 44 Ca 0.00 1.47 -0.12 0.00 0.04 0.00 0.00 61.00 62.39 1isk s PRO 44 Cb 0.00 -2.41 -0.05 0.00 0.04 0.00 0.00 34.50 32.08 1isk s PRO 44 CO 0.00 -0.23 0.23 1.03 0.04 0.00 0.00 177.00 178.07 1isk s ARG 45 N -2.72 3.99 0.15 4.56 1.81 0.11 -4.82 118.95 122.04 1isk s ARG 45 Ca 0.61 -0.22 -0.04 0.00 -1.72 0.00 0.00 55.73 54.35 1isk s ARG 45 Cb -0.20 -3.64 -0.05 0.00 -0.45 0.00 0.00 34.95 30.60 1isk s ARG 45 CO 0.25 -0.16 0.38 -1.54 -0.68 0.00 0.00 175.30 173.55 1isk s SER 46 N 1.60 6.48 0.00 0.23 1.04 -1.26 -1.18 113.70 120.61 1isk s SER 46 Ca 0.09 0.58 0.00 0.00 0.48 0.00 0.00 55.95 57.10 1isk s SER 46 Cb -0.16 -2.09 0.00 0.00 0.10 0.00 0.00 66.02 63.88 1isk s SER 46 CO 0.10 0.04 0.00 0.61 0.98 0.00 0.00 173.24 174.97 1isk n GLY 47 N 0.03 2.00 0.26 7.32 0.00 -0.12 -4.16 105.19 110.53 1isk n GLY 47 Ca -0.02 -1.77 0.14 0.00 0.00 0.00 0.00 46.02 44.36 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 0.38 0.30 2.61 1.35 -1.76 0.25 112.91 116.04 1isk h THR 48 Ca 0.00 -0.67 -0.01 0.00 -0.55 0.00 0.00 66.41 65.18 1isk h THR 48 Cb 0.00 1.49 0.00 0.00 -1.73 0.00 0.00 68.15 67.91 1isk h THR 48 CO 0.00 0.11 -0.14 0.00 -0.25 0.00 0.00 175.52 175.24 1isk h ALA 49 N 1.89 -0.40 -0.71 6.62 0.00 -1.89 0.39 119.26 125.16 1isk h ALA 49 Ca -0.00 -0.15 -0.04 0.00 0.00 0.00 0.00 54.91 54.71 1isk h ALA 49 Cb 0.48 0.16 -0.03 0.00 0.00 0.00 0.00 17.79 18.39 1isk h ALA 49 CO 0.01 -0.41 0.28 0.00 0.00 0.00 0.00 179.25 179.14 1isk h ALA 50 N -0.82 0.92 0.20 0.00 0.00 -1.70 0.40 119.26 118.26 1isk h ALA 50 Ca -0.04 -0.18 -0.01 0.00 0.00 0.00 0.00 54.91 54.68 1isk h ALA 50 Cb 0.44 -0.28 0.00 0.00 0.00 0.00 0.00 17.79 17.96 1isk h ALA 50 CO 0.07 0.54 -0.09 0.82 0.00 0.00 0.00 179.25 180.58 1isk h ILE 51 N 1.01 0.00 -1.00 0.00 2.04 -0.58 -1.32 117.51 117.66 1isk h ILE 51 Ca 0.24 -0.06 0.28 0.00 1.00 0.00 0.00 64.86 66.31 1isk h ILE 51 Cb 0.21 0.00 -0.05 0.00 -0.74 0.00 0.00 36.82 36.24 1isk h ILE 51 CO -0.02 0.00 0.70 -0.09 0.00 0.00 0.00 178.15 178.74 1isk h ARG 52 N -0.33 0.10 0.67 2.37 2.43 -0.24 -0.12 114.38 119.27 1isk h ARG 52 Ca -0.03 -0.01 -0.03 0.00 -0.81 0.00 0.00 59.98 59.10 1isk h ARG 52 Cb 0.20 -0.02 0.01 0.00 -0.42 0.00 0.00 29.97 29.74 1isk h ARG 52 CO 0.04 0.07 -0.32 0.93 -1.51 0.00 0.00 179.97 179.18 1isk h GLU 53 N 0.10 -0.87 0.42 0.20 4.39 -0.05 0.40 114.58 119.18 1isk h GLU 53 Ca 0.49 0.06 -0.01 0.00 0.34 0.00 0.00 59.36 60.24 1isk h GLU 53 Cb 1.77 0.20 -0.02 0.00 -0.10 0.00 0.00 28.75 30.60 1isk h GLU 53 CO -0.07 -0.55 -0.37 0.74 -1.16 0.00 0.00 179.01 177.61 1isk h PHE 54 N -1.02 -0.99 -0.08 4.33 -1.00 0.13 0.21 116.94 118.51 1isk h PHE 54 Ca -0.09 0.00 0.02 0.00 2.81 0.00 0.00 57.97 60.71 1isk h PHE 54 Cb 0.72 0.38 -0.00 0.00 3.61 0.00 0.00 35.95 40.65 1isk h PHE 54 CO -0.01 -0.52 0.08 1.88 -1.61 0.00 0.00 178.31 178.13 1isk h TYR 55 N -0.79 0.00 0.19 -0.55 0.05 -1.24 -0.95 116.97 113.67 1isk h TYR 55 Ca -0.04 0.00 -0.01 0.00 0.05 0.00 0.00 58.73 58.73 1isk h TYR 55 Cb 0.69 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.44 1isk h TYR 55 CO -0.18 0.00 -0.09 0.00 -1.05 0.00 0.00 178.16 176.84 1isk h ALA 56 N 1.91 -0.26 -0.97 3.88 0.00 0.88 0.14 119.26 124.85 1isk h ALA 56 Ca 0.04 -0.21 0.16 0.00 0.00 0.00 0.00 54.91 54.90 1isk h ALA 56 Cb 0.20 0.10 -0.09 0.00 0.00 0.00 0.00 17.79 18.00 1isk h ALA 56 CO -0.00 -0.33 0.61 -0.91 0.00 0.00 0.00 179.25 178.62 1isk h ASN 57 N -0.89 0.75 0.35 0.00 2.35 -0.04 0.36 115.58 118.46 1isk h ASN 57 Ca -0.03 0.06 -0.02 0.00 -0.55 0.00 0.00 56.30 55.77 1isk h ASN 57 Cb 0.51 -0.08 0.00 0.00 0.05 0.00 0.00 38.32 38.80 1isk h ASN 57 CO 0.04 0.34 -0.17 0.28 -1.65 0.00 0.00 177.43 176.28 1isk h SER 58 N 0.77 -0.40 0.00 5.81 0.02 -1.19 -2.82 113.55 115.75 1isk h SER 58 Ca 0.51 -0.15 0.00 0.00 -0.84 0.00 0.00 61.79 61.31 1isk h SER 58 Cb 0.77 0.10 0.00 0.00 0.14 0.00 0.00 62.40 63.42 1isk h SER 58 CO -0.28 0.03 0.26 -0.07 -1.14 0.00 0.00 176.83 175.64 1isk h LEU 59 N -0.94 0.00 -1.82 5.07 3.38 0.08 -1.47 115.31 119.61 1isk h LEU 59 Ca -0.05 0.00 0.50 0.00 0.09 0.00 0.00 57.88 58.42 1isk h LEU 59 Cb 0.53 0.00 -0.07 0.00 0.09 0.00 0.00 40.66 41.21 1isk h LEU 59 CO 0.08 0.00 1.33 0.50 0.09 0.00 0.00 178.44 180.44 1isk h LYS 60 N 0.00 0.00 -5.69 1.13 3.64 -0.04 -3.35 116.57 112.25 1isk h LYS 60 Ca 0.00 0.00 -0.62 0.00 -1.27 0.00 0.00 60.65 58.76 1isk h LYS 60 Cb 0.53 0.00 -0.08 0.00 -0.41 0.00 0.00 32.23 32.27 1isk h LYS 60 CO 0.00 0.00 -0.33 -1.17 -2.27 0.00 0.00 179.45 175.68 1isk s LEU 61 N -7.64 4.36 -1.04 5.20 2.96 -0.56 -4.97 118.68 116.98 1isk s LEU 61 Ca -0.05 0.63 -0.07 0.00 -0.22 0.00 0.00 54.13 54.43 1isk s LEU 61 Cb 0.24 -2.35 -0.09 0.00 0.50 0.00 0.00 46.19 44.49 1isk s LEU 61 CO 0.81 0.26 2.52 -0.81 -1.32 0.00 0.00 176.35 177.80 1isk n PRO 62 N 2.59 2.58 -1.14 0.98 -0.04 -1.26 -4.88 135.00 133.83 1isk n PRO 62 Ca -0.15 -1.62 -0.17 0.00 -0.04 0.00 0.00 63.50 61.52 1isk n PRO 62 Cb 0.53 -2.49 0.12 0.00 -0.04 0.00 0.00 33.50 31.61 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 3.75 0.00 -3.43 1.53 -0.00 -1.26 -4.52 117.00 113.07 1isk n LEU 63 Ca 0.55 -0.87 -0.16 0.00 -0.00 0.00 0.00 56.01 55.53 1isk n LEU 63 Cb 0.25 -0.58 -0.11 0.00 -0.00 0.00 0.00 43.42 42.98 1isk n LEU 63 CO 0.68 -1.03 -0.16 0.00 -0.00 0.00 0.00 177.39 176.87 1isk s ALA 64 N -3.92 -0.51 0.44 1.47 0.00 0.10 -4.92 121.76 114.43 1isk s ALA 64 Ca 0.43 0.19 -0.12 0.00 0.00 0.00 0.00 51.96 52.46 1isk s ALA 64 Cb -0.01 -1.57 -0.07 0.00 0.00 0.00 0.00 23.12 21.47 1isk s ALA 64 CO 0.30 -1.40 0.84 0.08 0.00 0.00 0.00 175.76 175.58 1isk s VAL 65 N 2.38 4.72 0.11 0.00 1.01 -1.26 -0.81 120.40 126.55 1isk s VAL 65 Ca 0.09 0.77 -0.25 0.00 0.00 0.00 0.00 61.98 62.59 1isk s VAL 65 Cb -0.15 -3.74 0.08 0.00 0.00 0.00 0.00 36.38 32.57 1isk s VAL 65 CO -0.20 -0.60 0.70 -0.70 0.00 0.00 0.00 175.10 174.30 1isk s GLU 66 N -3.99 1.13 0.18 2.72 2.12 -0.28 -4.86 118.70 115.72 1isk s GLU 66 Ca 0.53 -0.42 -0.00 0.00 0.36 0.00 0.00 54.97 55.44 1isk s GLU 66 Cb -0.10 0.52 -0.04 0.00 0.26 0.00 0.00 34.13 34.76 1isk s GLU 66 CO 0.33 -0.50 0.35 -0.51 -0.54 0.00 0.00 175.26 174.39 1isk s LEU 67 N -2.66 4.26 0.00 2.70 2.01 -1.26 -0.28 118.68 123.45 1isk s LEU 67 Ca 0.03 0.35 0.00 0.00 0.01 0.00 0.00 54.13 54.52 1isk s LEU 67 Cb -0.01 -3.11 0.00 0.00 0.01 0.00 0.00 46.19 43.08 1isk s LEU 67 CO -0.11 -0.00 0.00 1.07 1.01 0.00 0.00 176.35 178.32 1isk n THR 68 N -0.52 0.00 0.00 5.49 5.66 -1.26 -4.90 114.28 118.75 1isk n THR 68 Ca -0.05 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 60.95 1isk n THR 68 Cb 0.53 -0.00 0.00 0.00 -1.55 0.00 0.00 70.33 69.31 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 -2.31 0.00 -3.07 1.09 3.00 -1.24 -5.10 117.38 109.74 1isk n GLN 69 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.99 1isk n GLN 69 Cb 0.00 -0.04 0.00 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 -2.71 -4.80 -1.09 0.28 -1.25 -5.03 120.64 106.04 1isk n GLU 70 Ca 0.00 0.00 -0.28 0.00 -0.16 0.00 0.00 57.16 56.72 1isk n GLU 70 Cb 0.00 0.00 -0.14 0.00 1.43 0.00 0.00 31.44 32.73 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 -2.18 1.90 -0.39 3.84 1.01 -1.26 -1.54 120.40 121.78 1isk s VAL 71 Ca 0.00 -1.28 0.03 0.00 0.00 0.00 0.00 61.98 60.73 1isk s VAL 71 Cb 0.00 -1.64 0.11 0.00 0.00 0.00 0.00 36.38 34.86 1isk s VAL 71 CO 0.00 0.30 0.13 -0.13 0.00 0.00 0.00 175.10 175.40 1isk s ARG 72 N -1.17 1.47 -0.02 2.72 3.00 0.14 -4.92 118.95 120.18 1isk s ARG 72 Ca 0.10 -1.97 -0.17 0.00 0.00 0.00 0.00 55.73 53.68 1isk s ARG 72 Cb -0.09 -2.96 -0.05 0.00 0.00 0.00 0.00 34.95 31.84 1isk s ARG 72 CO 0.02 -1.02 0.48 0.00 0.00 0.00 0.00 175.30 174.79 1isk s ALA 73 N 0.63 3.59 0.00 2.13 0.00 -1.26 -0.34 121.76 126.51 1isk s ALA 73 Ca 0.13 -0.12 0.00 0.00 0.00 0.00 0.00 51.96 51.97 1isk s ALA 73 Cb -0.21 -2.55 0.00 0.00 0.00 0.00 0.00 23.12 20.35 1isk s ALA 73 CO -0.08 0.30 0.00 0.28 0.00 0.00 0.00 175.76 176.26 1isk n VAL 74 N 2.41 0.00 -1.52 0.00 0.31 0.14 -4.95 118.33 114.71 1isk n VAL 74 Ca -0.10 0.00 -0.27 0.00 -0.01 0.00 0.00 64.34 63.95 1isk n VAL 74 Cb 0.52 0.00 -0.13 0.00 -0.91 0.00 0.00 33.84 33.31 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 0.66 -2.38 3.52 0.00 -1.26 -1.38 120.51 116.67 1isk n ALA 75 Ca 0.00 -0.85 -0.01 0.00 0.00 0.00 0.00 53.44 52.59 1isk n ALA 75 Cb 0.00 -2.74 -0.00 0.00 0.00 0.00 0.00 19.45 16.71 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 11.97 -1.05 -4.42 0.00 3.02 -1.26 -4.85 115.26 118.68 1isk n ASN 76 Ca 0.57 0.45 -0.22 0.00 -0.03 0.00 0.00 54.58 55.35 1isk n ASN 76 Cb 0.26 -1.06 -0.10 0.00 -0.61 0.00 0.00 39.78 38.27 1isk n ASN 76 CO 0.00 0.00 0.00 -1.61 -2.62 0.00 0.00 177.26 173.03 1isk s GLU 77 N -4.77 1.54 -0.24 3.52 0.41 -0.48 -0.40 118.70 118.27 1isk s GLU 77 Ca 0.00 -1.69 -0.02 0.00 -0.41 0.00 0.00 54.97 52.84 1isk s GLU 77 Cb 0.00 -1.51 0.13 0.00 -1.78 0.00 0.00 34.13 30.97 1isk s GLU 77 CO 0.00 0.27 0.37 0.00 -0.49 0.00 0.00 175.26 175.41 1isk s ALA 78 N -2.67 -1.02 -0.23 5.21 0.00 -0.35 0.25 121.76 122.94 1isk s ALA 78 Ca 0.27 0.78 0.02 0.00 0.00 0.00 0.00 51.96 53.02 1isk s ALA 78 Cb -0.03 -1.68 0.05 0.00 0.00 0.00 0.00 23.12 21.46 1isk s ALA 78 CO 0.12 -1.30 -0.09 0.00 0.00 0.00 0.00 175.76 174.48 1isk s ALA 79 N 2.52 2.22 0.28 0.00 0.00 0.54 -1.25 121.76 126.07 1isk s ALA 79 Ca 0.12 -1.48 0.06 0.00 0.00 0.00 0.00 51.96 50.67 1isk s ALA 79 Cb -0.15 -1.45 -0.06 0.00 0.00 0.00 0.00 23.12 21.46 1isk s ALA 79 CO -0.17 -1.08 -0.05 -0.59 0.00 0.00 0.00 175.76 173.87 1isk s PHE 80 N 1.28 1.94 -0.19 0.00 -0.71 0.11 0.25 117.98 120.65 1isk s PHE 80 Ca -0.06 -0.72 -0.01 0.00 -1.04 0.00 0.00 56.93 55.11 1isk s PHE 80 Cb -0.18 -1.11 0.01 0.00 -1.21 0.00 0.00 43.02 40.52 1isk s PHE 80 CO -0.06 0.26 -0.15 0.00 -1.34 0.00 0.00 175.22 173.92 1isk s ALA 81 N -3.04 2.49 0.41 1.99 0.00 -0.59 -0.12 121.76 122.90 1isk s ALA 81 Ca 0.30 -1.21 0.07 0.00 0.00 0.00 0.00 51.96 51.12 1isk s ALA 81 Cb 0.04 -1.35 -0.08 0.00 0.00 0.00 0.00 23.12 21.73 1isk s ALA 81 CO 0.12 -0.38 0.01 -0.59 0.00 0.00 0.00 175.76 174.92 1isk s PHE 82 N 1.35 2.50 0.17 0.00 -0.71 -0.54 -3.69 117.98 117.06 1isk s PHE 82 Ca 0.05 -0.67 0.07 0.00 -1.04 0.00 0.00 56.93 55.34 1isk s PHE 82 Cb -0.13 -1.75 -0.04 0.00 -1.21 0.00 0.00 43.02 39.88 1isk s PHE 82 CO -0.10 0.44 0.00 0.95 -1.34 0.00 0.00 175.22 175.17 1isk s THR 83 N -2.73 3.75 -0.04 -4.49 -4.23 0.61 -1.97 115.64 106.54 1isk s THR 83 Ca 0.35 -1.39 0.01 0.00 -1.18 0.00 0.00 61.69 59.48 1isk s THR 83 Cb 0.10 -2.88 0.02 0.00 1.34 0.00 0.00 72.50 71.08 1isk s THR 83 CO 0.18 -0.09 -0.03 0.68 -0.54 0.00 0.00 174.62 174.82 1isk s VAL 84 N -1.70 0.44 -0.51 2.29 -7.23 0.17 -1.13 120.40 112.74 1isk s VAL 84 Ca 0.27 -0.05 -0.08 0.00 -1.81 0.00 0.00 61.98 60.32 1isk s VAL 84 Cb -0.09 -0.49 0.13 0.00 0.56 0.00 0.00 36.38 36.48 1isk s VAL 84 CO 0.19 0.21 0.37 -0.55 -0.31 0.00 0.00 175.10 175.00 1isk s SER 85 N 1.06 5.64 0.56 4.85 0.15 0.01 0.16 113.70 126.14 1isk s SER 85 Ca -0.09 -2.12 -0.10 0.00 0.70 0.00 0.00 55.95 54.34 1isk s SER 85 Cb -0.14 -1.97 -0.04 0.00 -1.71 0.00 0.00 66.02 62.15 1isk s SER 85 CO -0.01 -0.62 0.94 -0.36 1.20 0.00 0.00 173.24 174.40 1isk s PHE 86 N 1.04 3.59 -0.35 3.44 0.08 0.14 0.02 117.98 125.95 1isk s PHE 86 Ca 0.09 1.16 0.05 0.00 0.12 0.00 0.00 56.93 58.35 1isk s PHE 86 Cb -0.24 -2.59 0.17 0.00 -0.57 0.00 0.00 43.02 39.79 1isk s PHE 86 CO -0.02 -0.52 0.52 -2.00 -0.10 0.00 0.00 175.22 173.10 1isk s GLU 87 N -4.89 0.63 -0.06 0.44 2.12 -1.22 -1.32 118.70 114.40 1isk s GLU 87 Ca 0.53 -0.11 0.01 0.00 0.36 0.00 0.00 54.97 55.76 1isk s GLU 87 Cb -0.11 -0.13 0.02 0.00 0.26 0.00 0.00 34.13 34.18 1isk s GLU 87 CO 0.48 -1.12 -0.05 -0.47 -0.54 0.00 0.00 175.26 173.56 1isk s TYR 88 N 2.15 0.87 -1.24 5.30 5.04 -0.32 -4.50 117.35 124.65 1isk s TYR 88 Ca 0.13 -0.28 -0.13 0.00 -2.44 0.00 0.00 57.07 54.36 1isk s TYR 88 Cb -0.10 -0.77 -0.00 0.00 0.35 0.00 0.00 41.96 41.44 1isk s TYR 88 CO -0.16 -0.24 0.66 1.04 -1.34 0.00 0.00 175.55 175.51 1isk n GLN 89 N 4.23 -2.20 -2.02 4.97 1.13 -1.26 0.22 117.38 122.45 1isk n GLN 89 Ca -0.21 0.45 -0.18 0.00 -1.94 0.00 0.00 57.00 55.11 1isk n GLN 89 Cb 0.51 -4.31 -0.04 0.00 0.11 0.00 0.00 30.24 26.50 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 -1.78 0.51 3.15 1.08 0.00 -1.26 -4.92 105.19 101.97 1isk n GLY 90 Ca -0.18 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.46 1isk n GLY 90 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1isk s ARG 91 N -4.38 2.26 -0.28 1.61 3.52 0.13 -4.62 118.95 117.20 1isk s ARG 91 Ca 0.00 -1.92 -0.16 0.00 -0.13 0.00 0.00 55.73 53.52 1isk s ARG 91 Cb 0.00 -3.73 -0.03 0.00 -1.56 0.00 0.00 34.95 29.63 1isk s ARG 91 CO 0.00 -1.13 0.41 0.15 -0.81 0.00 0.00 175.30 173.92 1isk s LYS 92 N 1.01 3.98 0.14 5.12 1.02 0.11 -1.18 119.74 129.95 1isk s LYS 92 Ca 0.09 0.06 0.08 0.00 0.02 0.00 0.00 55.97 56.22 1isk s LYS 92 Cb -0.23 -3.67 -0.04 0.00 -0.52 0.00 0.00 37.83 33.37 1isk s LYS 92 CO -0.03 -0.32 -0.19 0.99 -0.92 0.00 0.00 175.35 174.88 1isk s THR 93 N 2.13 1.75 -0.25 2.17 2.01 -0.43 0.32 115.64 123.34 1isk s THR 93 Ca 0.16 -1.79 -0.01 0.00 0.31 0.00 0.00 61.69 60.36 1isk s THR 93 Cb -0.16 -1.74 0.08 0.00 0.01 0.00 0.00 72.50 70.69 1isk s THR 93 CO 0.10 -0.25 0.04 -0.69 -0.69 0.00 0.00 174.62 173.14 1isk s VAL 94 N -1.79 0.90 0.37 3.82 1.01 0.16 0.27 120.40 125.14 1isk s VAL 94 Ca 0.12 -1.07 0.07 0.00 0.00 0.00 0.00 61.98 61.11 1isk s VAL 94 Cb -0.07 -1.48 -0.02 0.00 0.00 0.00 0.00 36.38 34.82 1isk s VAL 94 CO 0.06 -0.38 0.38 -0.69 0.00 0.00 0.00 175.10 174.46 1isk s VAL 95 N 1.65 3.33 -0.40 2.92 1.01 0.12 0.36 120.40 129.38 1isk s VAL 95 Ca 0.03 -1.25 0.07 0.00 0.00 0.00 0.00 61.98 60.83 1isk s VAL 95 Cb -0.18 -3.15 0.24 0.00 0.00 0.00 0.00 36.38 33.29 1isk s VAL 95 CO -0.15 -0.10 0.51 0.00 0.00 0.00 0.00 175.10 175.36 1isk n ALA 96 N -1.53 2.55 -1.65 5.51 0.00 0.11 0.45 120.51 125.94 1isk n ALA 96 Ca 0.01 -3.43 -0.32 0.00 0.00 0.00 0.00 53.44 49.70 1isk n ALA 96 Cb 0.60 -0.81 0.02 0.00 0.00 0.00 0.00 19.45 19.26 1isk n ALA 96 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 1isk s PRO 97 N -1.10 3.26 -0.26 0.00 0.04 -0.83 -4.74 135.00 131.37 1isk s PRO 97 Ca 0.35 1.10 -0.05 0.00 0.04 0.00 0.00 61.00 62.44 1isk s PRO 97 Cb 0.15 -2.03 0.00 0.00 0.04 0.00 0.00 34.50 32.67 1isk s PRO 97 CO -0.12 -0.85 0.03 0.42 0.04 0.00 0.00 177.00 176.52 1isk s ILE 98 N -2.65 3.73 -0.16 0.56 1.01 -0.48 -1.46 121.20 121.75 1isk s ILE 98 Ca 0.61 -0.61 -0.10 0.00 0.00 0.00 0.00 60.65 60.55 1isk s ILE 98 Cb -0.15 -2.84 -0.05 0.00 0.01 0.00 0.00 42.46 39.43 1isk s ILE 98 CO 0.42 0.22 0.18 -1.81 0.00 0.00 0.00 174.94 173.95 1isk s ASP 99 N 1.49 6.35 -0.08 3.58 1.11 0.83 0.24 116.67 130.18 1isk s ASP 99 Ca 0.04 0.40 -0.03 0.00 0.18 0.00 0.00 52.55 53.14 1isk s ASP 99 Cb -0.16 -2.11 0.04 0.00 1.07 0.00 0.00 42.92 41.76 1isk s ASP 99 CO 0.00 0.24 0.16 -1.38 1.18 0.00 0.00 175.17 175.37 1isk s HIS 100 N -0.13 -0.18 0.32 4.23 -3.43 0.63 0.04 115.29 116.78 1isk s HIS 100 Ca 0.13 0.56 0.05 0.00 -0.80 0.00 0.00 55.06 55.00 1isk s HIS 100 Cb -0.12 -0.15 -0.03 0.00 -1.43 0.00 0.00 32.58 30.84 1isk s HIS 100 CO 0.02 -0.22 0.21 -0.59 -2.00 0.00 0.00 174.74 172.16 1isk s PHE 101 N 1.70 1.67 -0.16 0.38 -0.12 -0.38 -0.66 117.98 120.40 1isk s PHE 101 Ca -0.04 -1.52 0.01 0.00 -0.05 0.00 0.00 56.93 55.34 1isk s PHE 101 Cb -0.12 -0.80 0.02 0.00 -0.63 0.00 0.00 43.02 41.49 1isk s PHE 101 CO -0.06 -0.68 -0.17 0.50 -0.05 0.00 0.00 175.22 174.75 1isk s ARG 102 N -3.64 2.62 -0.22 1.99 3.00 0.80 -1.21 118.95 122.29 1isk s ARG 102 Ca 0.37 -0.69 -0.17 0.00 -1.00 0.00 0.00 55.73 54.23 1isk s ARG 102 Cb 0.03 -2.31 -0.03 0.00 0.00 0.00 0.00 34.95 32.64 1isk s ARG 102 CO 0.22 -0.20 0.48 0.12 0.00 0.00 0.00 175.30 175.91 1isk s PHE 103 N 1.34 3.34 0.00 5.12 2.19 0.46 -2.39 117.98 128.03 1isk s PHE 103 Ca 0.04 0.67 0.00 0.00 0.33 0.00 0.00 56.93 57.97 1isk s PHE 103 Cb -0.13 -2.64 0.00 0.00 -1.31 0.00 0.00 43.02 38.94 1isk s PHE 103 CO -0.11 -0.14 0.00 0.09 1.83 0.00 0.00 175.22 176.90 1isk n ASN 104 N 4.95 0.00 -2.22 6.13 4.13 -0.45 -4.73 115.26 123.06 1isk n ASN 104 Ca -0.06 0.00 0.00 0.00 1.68 0.00 0.00 54.58 56.20 1isk n ASN 104 Cb 0.50 0.00 0.00 0.00 -1.54 0.00 0.00 39.78 38.74 1isk n ASN 104 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1isk n GLY 105 N 0.00 -0.43 2.26 7.41 0.00 -1.14 0.87 105.19 114.17 1isk n GLY 105 Ca 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 46.00 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 -2.16 -0.81 -1.76 4.61 0.00 -1.26 -4.41 120.51 114.72 1isk n ALA 106 Ca 0.00 0.02 -0.04 0.00 0.00 0.00 0.00 53.44 53.42 1isk n ALA 106 Cb 0.43 -0.60 -0.04 0.00 0.00 0.00 0.00 19.45 19.24 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 -0.45 0.04 2.96 0.00 0.00 0.25 -5.15 105.19 102.84 1isk n GLY 107 Ca -0.02 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.00 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 0.00 0.00 -2.12 1.61 4.81 0.17 -4.01 118.16 118.61 1isk n LYS 108 Ca -0.14 0.00 -0.42 0.00 -0.87 0.00 0.00 58.31 56.87 1isk n LYS 108 Cb 0.48 0.00 -0.03 0.00 0.02 0.00 0.00 35.03 35.50 1isk n LYS 108 CO 0.00 0.00 0.00 0.08 1.17 0.00 0.00 177.40 178.65 1isk s VAL 109 N 0.00 3.53 0.00 3.15 1.01 -1.26 -1.34 120.40 125.48 1isk s VAL 109 Ca 0.00 0.90 0.00 0.00 0.00 0.00 0.00 61.98 62.88 1isk s VAL 109 Cb 0.00 -3.58 0.00 0.00 0.00 0.00 0.00 36.38 32.80 1isk s VAL 109 CO 0.00 -0.01 0.00 0.52 0.00 0.00 0.00 175.10 175.61 1isk n VAL 110 N 4.80 0.00 -1.66 2.92 0.31 -1.01 0.09 118.33 123.79 1isk n VAL 110 Ca 0.14 0.00 -0.47 0.00 -0.01 0.00 0.00 64.34 64.01 1isk n VAL 110 Cb 0.43 -0.58 -0.04 0.00 -0.91 0.00 0.00 33.84 32.73 1isk n VAL 110 CO 0.00 0.00 0.00 -0.24 -1.32 0.00 0.00 176.83 175.27 1isk n SER 111 N -1.19 2.86 -3.71 4.52 2.88 -1.25 -1.04 113.62 116.70 1isk n SER 111 Ca 0.00 1.09 -0.11 0.00 -1.33 0.00 0.00 58.87 58.52 1isk n SER 111 Cb 0.00 -1.39 -0.11 0.00 -0.75 0.00 0.00 64.21 61.96 1isk n SER 111 CO 0.00 0.00 0.00 -0.32 -1.23 0.00 0.00 175.04 173.49 1isk s MET 112 N 0.82 0.38 0.02 -1.46 0.00 0.29 -0.14 119.30 119.21 1isk s MET 112 Ca 0.79 0.72 -0.16 0.00 0.00 0.00 0.00 55.69 57.05 1isk s MET 112 Cb -0.72 0.01 0.03 0.00 0.00 0.00 0.00 34.83 34.14 1isk s MET 112 CO 0.39 -0.14 0.34 0.50 0.00 0.00 0.00 175.02 176.11 1isk s ARG 113 N 1.18 0.79 0.42 4.11 3.52 0.16 0.21 118.95 129.33 1isk s ARG 113 Ca -0.08 -0.33 0.07 0.00 -0.13 0.00 0.00 55.73 55.26 1isk s ARG 113 Cb -0.08 0.35 -0.07 0.00 -1.56 0.00 0.00 34.95 33.59 1isk s ARG 113 CO -0.10 -0.24 0.02 0.00 -0.81 0.00 0.00 175.30 174.17 1isk s ALA 114 N -2.01 3.26 -0.28 6.12 0.00 -0.48 -0.27 121.76 128.11 1isk s ALA 114 Ca -0.09 -2.17 0.00 0.00 0.00 0.00 0.00 51.96 49.70 1isk s ALA 114 Cb -0.02 0.13 0.15 0.00 0.00 0.00 0.00 23.12 23.37 1isk s ALA 114 CO 0.00 -0.12 0.39 -0.51 0.00 0.00 0.00 175.76 175.52 1isk s LEU 115 N -3.73 -0.68 -0.13 0.00 1.43 0.14 -4.20 118.68 111.49 1isk s LEU 115 Ca 0.34 -0.23 0.01 0.00 -1.03 0.00 0.00 54.13 53.22 1isk s LEU 115 Cb 0.09 1.05 -0.01 0.00 0.03 0.00 0.00 46.19 47.35 1isk s LEU 115 CO 0.17 -0.34 -0.16 0.72 0.23 0.00 0.00 176.35 176.97 1isk s PHE 116 N 2.53 2.74 0.19 0.29 -0.71 -1.26 -1.39 117.98 120.37 1isk s PHE 116 Ca 0.11 -0.89 0.03 0.00 -1.04 0.00 0.00 56.93 55.14 1isk s PHE 116 Cb -0.13 -1.83 0.03 0.00 -1.21 0.00 0.00 43.02 39.88 1isk s PHE 116 CO -0.26 -0.36 0.26 0.41 -1.34 0.00 0.00 175.22 173.93 1isk n GLY 117 N 3.72 1.95 1.12 1.99 0.00 -1.26 -4.97 105.19 107.73 1isk n GLY 117 Ca -0.19 -2.16 0.08 0.00 0.00 0.00 0.00 46.02 43.75 1isk n GLY 117 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1isk n GLU 118 N -1.41 3.34 -0.72 1.61 4.07 -1.26 -4.29 120.64 121.98 1isk n GLU 118 Ca 0.05 -2.70 0.06 0.00 -0.06 0.00 0.00 57.16 54.51 1isk n GLU 118 Cb 0.19 -1.76 0.16 0.00 -0.06 0.00 0.00 31.44 29.97 1isk n GLU 118 CO 0.00 0.00 0.00 1.63 -0.06 0.00 0.00 177.13 178.70 1isk n LYS 119 N 0.30 1.17 -2.25 5.31 4.76 -1.26 -4.65 118.16 121.54 1isk n LYS 119 Ca 0.21 -2.88 -0.00 0.00 -2.87 0.00 0.00 58.31 52.77 1isk n LYS 119 Cb 0.81 -1.23 0.04 0.00 -1.84 0.00 0.00 35.03 32.81 1isk n LYS 119 CO 0.00 0.00 0.00 0.09 -1.37 0.00 0.00 177.40 176.12 1isk n ASN 120 N -0.78 0.58 -4.04 4.39 4.13 -1.26 -5.07 115.26 113.20 1isk n ASN 120 Ca 0.15 -2.05 -0.21 0.00 1.68 0.00 0.00 54.58 54.15 1isk n ASN 120 Cb 0.78 -0.13 -0.15 0.00 -1.54 0.00 0.00 39.78 38.73 1isk n ASN 120 CO 0.00 0.00 0.00 -0.63 0.28 0.00 0.00 177.26 176.91 1isk s ILE 121 N -1.65 0.91 -0.43 2.41 1.01 -1.26 0.04 121.20 122.23 1isk s ILE 121 Ca 0.23 -0.44 0.02 0.00 0.00 0.00 0.00 60.65 60.45 1isk s ILE 121 Cb 0.33 -0.79 0.14 0.00 0.01 0.00 0.00 42.46 42.14 1isk s ILE 121 CO -0.09 0.27 0.24 -1.00 0.00 0.00 0.00 174.94 174.37 1isk s HIS 122 N 0.05 1.79 0.46 3.97 3.76 0.16 -4.95 115.29 120.53 1isk s HIS 122 Ca -0.01 -2.31 -0.18 0.00 -0.15 0.00 0.00 55.06 52.41 1isk s HIS 122 Cb -0.08 -1.73 -0.09 0.00 1.11 0.00 0.00 32.58 31.79 1isk s HIS 122 CO 0.00 -0.79 0.95 0.00 -0.85 0.00 0.00 174.74 174.06 1isk s ALA 123 N 0.43 3.08 0.00 -1.40 0.00 -1.26 -0.67 121.76 121.94 1isk s ALA 123 Ca 0.18 0.25 0.00 0.00 0.00 0.00 0.00 51.96 52.39 1isk s ALA 123 Cb -0.23 -3.10 0.00 0.00 0.00 0.00 0.00 23.12 19.79 1isk s ALA 123 CO -0.00 -0.04 0.00 0.41 0.00 0.00 0.00 175.76 176.13 1isk n GLY 124 N -1.10 -0.62 0.53 0.00 0.00 0.15 -4.94 105.19 99.20 1isk n GLY 124 Ca 0.06 -0.98 0.14 0.00 0.00 0.00 0.00 46.02 45.24 1isk n GLY 124 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32