#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 -2.38 -4.91 6.12 0.23 -1.26 -4.90 115.26 108.15 1isk n ASN 2 Ca 0.00 -3.07 -0.28 0.00 -0.53 0.00 0.00 54.58 50.70 1isk n ASN 2 Cb 0.00 1.64 -0.03 0.00 -2.08 0.00 0.00 39.78 39.31 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 0.44 5.05 0.12 5.53 -4.23 -1.26 -4.77 115.64 116.52 1isk s THR 3 Ca 0.27 -0.05 -0.08 0.00 -1.18 0.00 0.00 61.69 60.65 1isk s THR 3 Cb 0.25 -3.76 -0.18 0.00 1.34 0.00 0.00 72.50 70.15 1isk s THR 3 CO -0.17 -0.36 1.29 1.55 -0.54 0.00 0.00 174.62 176.39 1isk h PRO 4 N 1.51 0.58 0.00 3.99 0.13 -1.94 -1.96 132.00 134.31 1isk h PRO 4 Ca -0.48 -0.56 -0.08 0.00 -0.87 0.00 0.00 66.00 64.01 1isk h PRO 4 Cb 1.19 0.15 -0.01 0.00 0.13 0.00 0.00 31.00 32.46 1isk h PRO 4 CO 0.65 1.18 -0.36 1.05 -0.23 0.00 0.00 178.00 180.30 1isk h GLU 5 N 0.35 0.00 0.09 0.86 4.11 -1.97 0.79 114.58 118.81 1isk h GLU 5 Ca -0.08 0.00 -0.00 0.00 0.07 0.00 0.00 59.36 59.34 1isk h GLU 5 Cb 1.53 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.79 1isk h GLU 5 CO 0.17 0.36 -0.04 1.25 0.07 0.00 0.00 179.01 180.81 1isk h HIS 6 N 0.00 -0.11 -0.73 2.06 2.76 -1.95 -0.41 115.15 116.76 1isk h HIS 6 Ca -0.00 -0.00 0.13 0.00 -2.20 0.00 0.00 60.37 58.29 1isk h HIS 6 Cb 0.70 0.04 -0.09 0.00 1.55 0.00 0.00 27.41 29.61 1isk h HIS 6 CO 0.00 -0.07 0.31 0.00 -1.30 0.00 0.00 177.93 176.87 1isk h MET 7 N -0.47 0.46 -0.38 5.26 -0.00 -1.41 0.13 114.93 118.51 1isk h MET 7 Ca -0.01 -0.03 -0.05 0.00 -0.00 0.00 0.00 59.70 59.61 1isk h MET 7 Cb 0.09 -0.10 -0.01 0.00 -0.00 0.00 0.00 31.60 31.57 1isk h MET 7 CO 0.02 0.31 0.04 1.15 -0.00 0.00 0.00 176.91 178.42 1isk h THR 8 N 0.48 1.25 -0.40 -0.10 2.02 -0.97 -1.44 112.91 113.74 1isk h THR 8 Ca 0.39 -0.91 0.04 0.00 0.77 0.00 0.00 66.41 66.70 1isk h THR 8 Cb 0.55 1.10 -0.02 0.00 -1.74 0.00 0.00 68.15 68.04 1isk h THR 8 CO -0.36 0.31 0.27 0.00 0.37 0.00 0.00 175.52 176.10 1isk h ALA 9 N 0.90 1.90 -0.05 6.16 0.00 0.33 -0.93 119.26 127.57 1isk h ALA 9 Ca 0.11 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 54.98 1isk h ALA 9 Cb 0.40 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 18.10 1isk h ALA 9 CO 0.01 0.04 -0.04 0.28 0.00 0.00 0.00 179.25 179.54 1isk h VAL 10 N 0.37 1.36 -0.89 0.00 2.07 -0.30 -1.27 116.25 117.59 1isk h VAL 10 Ca 0.17 -1.14 0.14 0.00 0.82 0.00 0.00 66.70 66.68 1isk h VAL 10 Cb 0.20 2.01 -0.09 0.00 -1.52 0.00 0.00 31.29 31.88 1isk h VAL 10 CO -0.04 0.31 0.49 0.58 0.02 0.00 0.00 177.57 178.94 1isk h VAL 11 N -0.30 0.78 0.04 2.57 2.07 -0.28 0.45 116.25 121.59 1isk h VAL 11 Ca 0.01 -0.25 -0.00 0.00 0.82 0.00 0.00 66.70 67.28 1isk h VAL 11 Cb 0.52 -0.00 0.00 0.00 -1.52 0.00 0.00 31.29 30.29 1isk h VAL 11 CO 0.01 0.13 -0.02 -0.61 0.02 0.00 0.00 177.57 177.10 1isk h GLN 12 N 0.72 -0.05 -0.44 1.57 -0.00 -1.09 -0.96 115.11 114.86 1isk h GLN 12 Ca 0.47 0.00 0.03 0.00 -0.00 0.00 0.00 58.65 59.16 1isk h GLN 12 Cb 0.61 0.01 -0.02 0.00 0.00 0.00 0.00 27.48 28.08 1isk h GLN 12 CO -0.33 0.16 0.29 -0.09 0.00 0.00 0.00 178.83 178.86 1isk h ARG 13 N -0.26 0.47 -0.16 1.69 2.43 0.01 -1.27 114.38 117.29 1isk h ARG 13 Ca -0.01 -0.03 -0.03 0.00 -0.81 0.00 0.00 59.98 59.10 1isk h ARG 13 Cb 0.24 -0.11 -0.00 0.00 -0.42 0.00 0.00 29.97 29.68 1isk h ARG 13 CO 0.01 0.31 -0.04 -0.92 -1.51 0.00 0.00 179.97 177.82 1isk h TYR 14 N 0.48 0.34 -0.31 2.20 5.03 0.20 0.16 116.97 125.06 1isk h TYR 14 Ca 0.18 -0.07 0.03 0.00 2.58 0.00 0.00 58.73 61.44 1isk h TYR 14 Cb 0.11 -0.08 -0.03 0.00 1.55 0.00 0.00 36.73 38.28 1isk h TYR 14 CO -0.00 0.57 0.13 0.28 -1.32 0.00 0.00 178.16 177.83 1isk h VAL 15 N 0.00 0.95 0.36 1.81 2.07 -0.50 0.24 116.25 121.18 1isk h VAL 15 Ca 0.04 -0.10 -0.02 0.00 0.82 0.00 0.00 66.70 67.44 1isk h VAL 15 Cb 0.46 0.64 0.00 0.00 -1.52 0.00 0.00 31.29 30.88 1isk h VAL 15 CO 0.02 0.05 -0.17 0.00 0.02 0.00 0.00 177.57 177.48 1isk h ALA 16 N 1.18 -0.48 -0.83 1.67 0.00 -1.20 -1.17 119.26 118.42 1isk h ALA 16 Ca 0.13 -0.13 0.18 0.00 0.00 0.00 0.00 54.91 55.10 1isk h ALA 16 Cb 0.08 0.19 -0.11 0.00 0.00 0.00 0.00 17.79 17.94 1isk h ALA 16 CO -0.12 -0.74 0.34 0.00 0.00 0.00 0.00 179.25 178.74 1isk h ALA 17 N 0.07 1.25 0.23 0.00 0.00 -0.34 0.24 119.26 120.72 1isk h ALA 17 Ca -0.05 0.14 0.00 0.00 0.00 0.00 0.00 54.91 55.00 1isk h ALA 17 Cb 0.41 0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.31 1isk h ALA 17 CO 0.08 -0.27 -0.23 1.25 0.00 0.00 0.00 179.25 180.08 1isk h LEU 18 N 0.43 -0.61 -2.35 0.00 5.85 -0.09 0.68 115.31 119.21 1isk h LEU 18 Ca 0.49 0.06 0.03 0.00 0.84 0.00 0.00 57.88 59.30 1isk h LEU 18 Cb 0.84 0.21 -0.00 0.00 0.37 0.00 0.00 40.66 42.08 1isk h LEU 18 CO -0.47 -0.34 0.14 -1.13 -0.34 0.00 0.00 178.44 176.30 1isk h ASN 19 N -0.49 0.00 0.91 1.25 -0.00 0.30 0.38 115.58 117.93 1isk h ASN 19 Ca -0.00 0.00 -0.22 0.00 -0.00 0.00 0.00 56.30 56.07 1isk h ASN 19 Cb 0.46 0.00 -0.03 0.00 -0.00 0.00 0.00 38.32 38.74 1isk h ASN 19 CO -0.05 0.00 -1.14 0.00 -0.00 0.00 0.00 177.43 176.24 1isk h ALA 20 N 1.83 0.46 -0.26 1.57 0.00 0.16 -3.48 119.26 119.53 1isk h ALA 20 Ca 0.05 -1.01 0.00 0.00 0.00 0.00 0.00 54.91 53.95 1isk h ALA 20 Cb 0.32 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.10 1isk h ALA 20 CO -0.00 1.29 0.00 0.41 0.00 0.00 0.00 179.25 180.95 1isk n GLY 21 N 1.39 0.96 3.40 0.00 0.00 0.22 -5.04 105.19 106.12 1isk n GLY 21 Ca -0.04 -0.16 -0.45 0.00 0.00 0.00 0.00 46.02 45.38 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 -2.20 6.43 0.00 1.61 3.68 -0.22 -4.90 116.67 121.06 1isk s ASP 22 Ca 0.00 -1.79 0.00 0.00 2.13 0.00 0.00 52.55 52.89 1isk s ASP 22 Cb 0.00 -2.34 0.00 0.00 -1.45 0.00 0.00 42.92 39.13 1isk s ASP 22 CO 0.00 -1.06 0.19 -0.11 0.13 0.00 0.00 175.17 174.33 1isk n LEU 23 N 6.22 1.14 -0.35 -1.34 -0.00 -1.26 -1.19 117.00 120.22 1isk n LEU 23 Ca 0.07 0.37 0.14 0.00 -0.00 0.00 0.00 56.01 56.59 1isk n LEU 23 Cb 0.46 -0.24 0.34 0.00 -0.00 0.00 0.00 43.42 43.97 1isk n LEU 23 CO 0.52 -0.24 1.19 -0.78 -0.00 0.00 0.00 177.39 178.08 1isk h ASP 24 N 0.00 0.76 0.97 1.96 -0.00 -1.94 0.23 116.42 118.40 1isk h ASP 24 Ca 0.00 0.10 -0.05 0.00 -0.00 0.00 0.00 57.03 57.08 1isk h ASP 24 Cb 0.00 -0.04 0.01 0.00 -0.00 0.00 0.00 39.33 39.30 1isk h ASP 24 CO 0.00 0.25 -0.47 1.23 -0.00 0.00 0.00 179.24 180.25 1isk h GLY 25 N 0.73 -1.38 0.57 -0.78 0.00 -1.96 0.36 103.07 100.61 1isk h GLY 25 Ca 0.58 0.51 0.19 0.00 0.00 0.00 0.00 47.33 48.62 1isk h GLY 25 CO -0.38 -0.50 0.53 -2.22 0.00 0.00 0.00 176.54 173.97 1isk h ILE 26 N -1.31 0.53 0.00 2.60 2.04 -0.26 1.34 117.51 122.45 1isk h ILE 26 Ca -0.13 0.00 -0.19 0.00 1.00 0.00 0.00 64.86 65.54 1isk h ILE 26 Cb 1.01 0.62 -0.03 0.00 -0.74 0.00 0.00 36.82 37.68 1isk h ILE 26 CO 0.21 0.00 -0.91 0.58 0.00 0.00 0.00 178.15 178.03 1isk h VAL 27 N 0.00 1.65 0.00 1.67 2.07 -0.26 -2.99 116.25 118.39 1isk h VAL 27 Ca 0.32 -3.12 0.00 0.00 0.82 0.00 0.00 66.70 64.71 1isk h VAL 27 Cb 1.37 2.69 0.00 0.00 -1.52 0.00 0.00 31.29 33.83 1isk h VAL 27 CO -0.00 0.89 -0.29 0.00 0.02 0.00 0.00 177.57 178.19 1isk n ALA 28 N -2.37 2.84 0.33 1.67 0.00 0.41 -4.04 120.51 119.35 1isk n ALA 28 Ca -0.00 -0.20 -0.13 0.00 0.00 0.00 0.00 53.44 53.11 1isk n ALA 28 Cb 0.87 -1.30 -0.06 0.00 0.00 0.00 0.00 19.45 18.96 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 -0.72 0.00 0.00 6.46 0.20 -3.45 115.31 117.81 1isk h LEU 29 Ca 0.00 0.02 -0.25 0.00 -0.12 0.00 0.00 57.88 57.54 1isk h LEU 29 Cb 0.58 0.19 0.08 0.00 -0.73 0.00 0.00 40.66 40.78 1isk h LEU 29 CO 0.00 -0.51 0.17 2.22 -0.62 0.00 0.00 178.44 179.70 1isk n PHE 30 N -4.32 -3.68 -0.56 1.25 1.16 -1.25 -4.90 117.46 105.16 1isk n PHE 30 Ca -0.11 -0.78 -0.19 0.00 -1.87 0.00 0.00 57.45 54.51 1isk n PHE 30 Cb 0.33 -0.51 0.14 0.00 -1.61 0.00 0.00 39.48 37.83 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 -3.28 -0.98 0.57 1.98 0.00 -0.34 -4.92 120.51 113.54 1isk n ALA 31 Ca -0.11 -1.03 0.07 0.00 0.00 0.00 0.00 53.44 52.37 1isk n ALA 31 Cb 0.32 -0.89 -0.09 0.00 0.00 0.00 0.00 19.45 18.79 1isk n ALA 31 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 1isk n ASP 32 N -1.03 0.86 -0.65 0.00 2.03 -1.26 -4.34 116.55 112.17 1isk n ASP 32 Ca 0.05 -0.68 0.06 0.00 0.52 0.00 0.00 54.79 54.74 1isk n ASP 32 Cb 0.37 1.16 0.14 0.00 -0.72 0.00 0.00 41.12 42.07 1isk n ASP 32 CO 0.00 0.00 0.00 0.47 -1.92 0.00 0.00 177.20 175.75 1isk n ASP 33 N -1.51 1.59 -3.96 1.67 8.00 -1.26 -2.78 116.55 118.30 1isk n ASP 33 Ca 0.02 -3.24 -0.30 0.00 0.71 0.00 0.00 54.79 51.97 1isk n ASP 33 Cb 0.28 -0.44 0.21 0.00 -0.02 0.00 0.00 41.12 41.15 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 -2.33 1.50 -0.10 2.24 0.00 -1.26 -4.48 121.76 117.34 1isk s ALA 34 Ca 0.33 -1.11 0.01 0.00 0.00 0.00 0.00 51.96 51.19 1isk s ALA 34 Cb 0.33 -2.82 0.02 0.00 0.00 0.00 0.00 23.12 20.65 1isk s ALA 34 CO -0.06 -2.98 -0.13 0.95 0.00 0.00 0.00 175.76 173.54 1isk s THR 35 N -3.51 1.33 -0.10 0.00 -4.23 0.88 -1.51 115.64 108.50 1isk s THR 35 Ca 0.73 -0.54 -0.10 0.00 -1.18 0.00 0.00 61.69 60.60 1isk s THR 35 Cb -0.06 -1.24 -0.05 0.00 1.34 0.00 0.00 72.50 72.49 1isk s THR 35 CO 0.54 0.41 0.24 -0.69 -0.54 0.00 0.00 174.62 174.58 1isk s VAL 36 N 1.08 5.34 -0.43 2.29 1.01 0.16 -1.22 120.40 128.63 1isk s VAL 36 Ca -0.05 0.44 0.09 0.00 0.00 0.00 0.00 61.98 62.45 1isk s VAL 36 Cb -0.15 -3.53 0.31 0.00 0.00 0.00 0.00 36.38 33.02 1isk s VAL 36 CO -0.02 0.56 0.70 -0.62 0.00 0.00 0.00 175.10 175.71 1isk n GLU 37 N 2.29 1.35 -4.46 2.72 1.02 0.85 0.30 120.64 124.71 1isk n GLU 37 Ca -0.17 -3.66 -0.34 0.00 -0.02 0.00 0.00 57.16 52.98 1isk n GLU 37 Cb 0.54 -1.68 -0.11 0.00 -0.02 0.00 0.00 31.44 30.17 1isk n GLU 37 CO 0.00 0.00 0.00 0.34 1.18 0.00 0.00 177.13 178.65 1isk s ASP 38 N -2.18 4.84 -0.07 1.62 2.15 -1.26 -1.40 116.67 120.36 1isk s ASP 38 Ca 0.40 -0.05 -0.27 0.00 0.43 0.00 0.00 52.55 53.07 1isk s ASP 38 Cb 0.26 -1.55 -0.23 0.00 -0.30 0.00 0.00 42.92 41.10 1isk s ASP 38 CO -0.09 0.26 1.03 1.55 -0.17 0.00 0.00 175.17 177.75 1isk h PRO 39 N 5.99 0.05 0.00 4.34 0.13 -1.88 -3.48 132.00 137.15 1isk h PRO 39 Ca -0.40 -0.05 -0.32 0.00 -0.87 0.00 0.00 66.00 64.36 1isk h PRO 39 Cb 1.19 0.01 -0.05 0.00 0.13 0.00 0.00 31.00 32.28 1isk h PRO 39 CO 0.58 0.79 -0.20 0.28 -0.23 0.00 0.00 178.00 179.21 1isk n VAL 40 N -4.67 0.00 0.32 1.56 0.31 -1.15 0.14 118.33 114.84 1isk n VAL 40 Ca -0.09 -1.19 0.13 0.00 -0.01 0.00 0.00 64.34 63.18 1isk n VAL 40 Cb 0.40 0.04 0.71 0.00 -0.91 0.00 0.00 33.84 34.08 1isk n VAL 40 CO 0.00 0.00 0.00 1.23 -1.32 0.00 0.00 176.83 176.74 1isk h GLY 41 N 0.51 0.00 -7.22 2.92 0.00 -1.80 -3.39 103.07 94.09 1isk h GLY 41 Ca -0.20 0.00 -0.11 0.00 0.00 0.00 0.00 47.33 47.01 1isk h GLY 41 CO 0.33 0.00 0.66 -1.26 0.00 0.00 0.00 176.54 176.27 1isk n SER 42 N -2.77 0.69 -1.31 0.19 2.88 -1.26 -2.35 113.62 109.69 1isk n SER 42 Ca -0.02 -1.23 0.00 0.00 -1.33 0.00 0.00 58.87 56.29 1isk n SER 42 Cb 0.42 -1.29 0.00 0.00 -0.75 0.00 0.00 64.21 62.59 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 7.67 0.00 -1.56 -1.46 1.02 -1.26 -4.73 120.64 120.32 1isk n GLU 43 Ca 0.53 0.44 -0.30 0.00 -0.02 0.00 0.00 57.16 57.81 1isk n GLU 43 Cb 0.34 -1.31 0.10 0.00 -0.02 0.00 0.00 31.44 30.55 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 -1.71 1.85 0.00 3.49 0.04 -0.99 -4.71 135.00 132.98 1isk s PRO 44 Ca 0.00 0.54 -0.02 0.00 0.04 0.00 0.00 61.00 61.56 1isk s PRO 44 Cb 0.00 -1.90 -0.01 0.00 0.04 0.00 0.00 34.50 32.63 1isk s PRO 44 CO 0.00 -1.76 0.03 1.03 0.04 0.00 0.00 177.00 176.34 1isk s ARG 45 N -5.19 0.24 -0.01 4.56 0.52 0.15 -5.00 118.95 114.22 1isk s ARG 45 Ca 0.61 -0.31 0.00 0.00 -0.52 0.00 0.00 55.73 55.52 1isk s ARG 45 Cb -0.14 0.10 0.01 0.00 0.52 0.00 0.00 34.95 35.43 1isk s ARG 45 CO 0.54 -0.05 0.01 -1.54 0.02 0.00 0.00 175.30 174.28 1isk s SER 46 N -0.87 0.04 0.00 0.23 1.04 -1.26 0.41 113.70 113.28 1isk s SER 46 Ca -0.10 0.01 0.00 0.00 0.48 0.00 0.00 55.95 56.35 1isk s SER 46 Cb -0.06 -0.03 0.00 0.00 0.10 0.00 0.00 66.02 66.03 1isk s SER 46 CO -0.00 -0.05 0.00 0.61 0.98 0.00 0.00 173.24 174.78 1isk n GLY 47 N 3.49 1.27 0.09 7.32 0.00 -0.57 -4.19 105.19 112.60 1isk n GLY 47 Ca -0.18 -1.63 0.07 0.00 0.00 0.00 0.00 46.02 44.28 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 1.38 1.32 0.05 2.61 -2.24 -1.12 0.11 114.28 116.39 1isk n THR 48 Ca 0.00 0.54 -0.02 0.00 -2.27 0.00 0.00 64.05 62.29 1isk n THR 48 Cb 0.00 -1.50 -0.01 0.00 -2.10 0.00 0.00 70.33 66.72 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 2.09 -0.34 -0.05 6.98 0.00 -1.89 0.41 119.26 126.47 1isk h ALA 49 Ca 0.00 -0.03 -0.08 0.00 0.00 0.00 0.00 54.91 54.80 1isk h ALA 49 Cb 0.08 0.06 -0.01 0.00 0.00 0.00 0.00 17.79 17.92 1isk h ALA 49 CO 0.00 -0.33 -0.34 0.00 0.00 0.00 0.00 179.25 178.58 1isk h ALA 50 N -1.65 1.35 0.10 0.00 0.00 -1.68 -0.11 119.26 117.27 1isk h ALA 50 Ca -0.02 -0.33 -0.00 0.00 0.00 0.00 0.00 54.91 54.56 1isk h ALA 50 Cb 0.12 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.84 1isk h ALA 50 CO 0.03 0.47 -0.05 0.82 0.00 0.00 0.00 179.25 180.52 1isk h ILE 51 N 0.08 0.00 -0.98 0.00 2.04 -0.44 -0.72 117.51 117.48 1isk h ILE 51 Ca 0.01 -0.06 0.25 0.00 1.00 0.00 0.00 64.86 66.06 1isk h ILE 51 Cb 0.65 0.00 -0.07 0.00 -0.74 0.00 0.00 36.82 36.66 1isk h ILE 51 CO 0.05 0.00 0.66 -0.09 0.00 0.00 0.00 178.15 178.77 1isk h ARG 52 N -0.20 0.28 0.50 2.37 2.43 -0.94 0.21 114.38 119.03 1isk h ARG 52 Ca -0.01 -0.02 -0.02 0.00 -0.81 0.00 0.00 59.98 59.12 1isk h ARG 52 Cb 0.10 -0.06 0.00 0.00 -0.42 0.00 0.00 29.97 29.59 1isk h ARG 52 CO 0.02 0.18 -0.24 1.49 -1.51 0.00 0.00 179.97 179.92 1isk h GLU 53 N 0.29 -0.64 -0.17 0.20 4.81 -0.99 0.20 114.58 118.28 1isk h GLU 53 Ca 0.52 0.04 0.05 0.00 -0.13 0.00 0.00 59.36 59.84 1isk h GLU 53 Cb 1.51 0.15 -0.05 0.00 0.63 0.00 0.00 28.75 30.98 1isk h GLU 53 CO -0.17 -0.43 -0.15 0.35 -0.73 0.00 0.00 179.01 177.88 1isk h PHE 54 N -0.74 -0.39 -0.46 0.92 3.04 -0.28 -0.06 116.94 118.98 1isk h PHE 54 Ca -0.07 0.02 0.08 0.00 3.98 0.00 0.00 57.97 61.99 1isk h PHE 54 Cb 0.51 0.20 -0.02 0.00 2.56 0.00 0.00 35.95 39.20 1isk h PHE 54 CO 0.09 -0.22 0.31 1.88 -2.02 0.00 0.00 178.31 178.35 1isk h TYR 55 N -0.17 0.28 0.00 0.41 0.05 -0.67 0.46 116.97 117.32 1isk h TYR 55 Ca 0.11 0.01 0.00 0.00 0.05 0.00 0.00 58.73 58.89 1isk h TYR 55 Cb 0.33 -0.09 0.00 0.00 1.01 0.00 0.00 36.73 37.98 1isk h TYR 55 CO -0.29 0.14 0.00 0.00 -1.05 0.00 0.00 178.16 176.96 1isk n ALA 56 N -2.54 -0.28 0.29 3.88 0.00 0.72 -0.53 120.51 122.04 1isk n ALA 56 Ca 0.07 0.00 0.16 0.00 0.00 0.00 0.00 53.44 53.67 1isk n ALA 56 Cb 0.34 0.00 0.78 0.00 0.00 0.00 0.00 19.45 20.57 1isk n ALA 56 CO 0.00 0.00 0.00 -2.95 0.00 0.00 0.00 177.50 174.55 1isk h ASN 57 N 0.00 0.00 0.31 0.00 -1.07 -0.98 0.66 115.58 114.49 1isk h ASN 57 Ca 0.00 0.00 -0.02 0.00 0.07 0.00 0.00 56.30 56.35 1isk h ASN 57 Cb 0.00 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 36.25 1isk h ASN 57 CO 0.00 0.00 -0.15 -1.28 0.07 0.00 0.00 177.43 176.07 1isk h SER 58 N 0.00 -0.35 -0.02 6.14 0.87 0.02 -3.18 113.55 117.03 1isk h SER 58 Ca 0.04 -0.01 0.00 0.00 -1.23 0.00 0.00 61.79 60.59 1isk h SER 58 Cb 0.79 0.09 -0.00 0.00 -0.44 0.00 0.00 62.40 62.84 1isk h SER 58 CO -0.00 0.10 0.05 -0.07 -0.53 0.00 0.00 176.83 176.38 1isk h LEU 59 N -1.10 0.00 -1.61 2.23 3.38 0.67 -0.74 115.31 118.13 1isk h LEU 59 Ca -0.04 0.00 0.11 0.00 0.09 0.00 0.00 57.88 58.04 1isk h LEU 59 Cb 0.34 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.08 1isk h LEU 59 CO 0.07 0.00 0.61 0.50 0.09 0.00 0.00 178.44 179.71 1isk h LYS 60 N 0.00 0.00 -6.56 1.13 1.63 -0.91 -3.39 116.57 108.46 1isk h LYS 60 Ca 0.01 0.00 -0.52 0.00 -0.85 0.00 0.00 60.65 59.29 1isk h LYS 60 Cb 0.12 0.00 -0.02 0.00 -0.60 0.00 0.00 32.23 31.73 1isk h LYS 60 CO -0.00 0.00 0.38 -1.17 -3.45 0.00 0.00 179.45 175.21 1isk s LEU 61 N -6.54 4.49 -1.09 5.20 2.96 -0.28 -4.93 118.68 118.47 1isk s LEU 61 Ca -0.03 1.83 -0.18 0.00 -0.22 0.00 0.00 54.13 55.52 1isk s LEU 61 Cb 0.12 -3.59 -0.07 0.00 0.50 0.00 0.00 46.19 43.15 1isk s LEU 61 CO 0.40 -0.11 2.07 -0.81 -1.32 0.00 0.00 176.35 176.58 1isk n PRO 62 N 2.85 2.14 -3.70 0.98 -0.04 -1.26 -4.84 135.00 131.13 1isk n PRO 62 Ca 0.03 -2.21 -0.19 0.00 -0.04 0.00 0.00 63.50 61.09 1isk n PRO 62 Cb 0.49 -3.10 -0.05 0.00 -0.04 0.00 0.00 33.50 30.80 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 6.89 0.00 -4.00 1.53 -0.00 -1.26 -4.19 117.00 115.98 1isk n LEU 63 Ca 0.51 -2.11 -0.09 0.00 -0.00 0.00 0.00 56.01 54.31 1isk n LEU 63 Cb 0.40 0.47 -0.08 0.00 -0.00 0.00 0.00 43.42 44.21 1isk n LEU 63 CO 0.97 -0.31 -0.09 0.00 -0.00 0.00 0.00 177.39 177.96 1isk s ALA 64 N -2.67 0.19 -0.01 1.47 0.00 0.13 -4.92 121.76 115.95 1isk s ALA 64 Ca 0.07 -1.00 0.00 0.00 0.00 0.00 0.00 51.96 51.03 1isk s ALA 64 Cb 0.00 0.83 0.01 0.00 0.00 0.00 0.00 23.12 23.96 1isk s ALA 64 CO 0.05 -0.60 -0.01 0.08 0.00 0.00 0.00 175.76 175.28 1isk s VAL 65 N -3.98 0.13 -0.16 0.00 1.01 -1.26 -0.53 120.40 115.61 1isk s VAL 65 Ca 0.18 -0.03 -0.15 0.00 0.00 0.00 0.00 61.98 61.98 1isk s VAL 65 Cb 0.04 -0.14 0.04 0.00 0.00 0.00 0.00 36.38 36.32 1isk s VAL 65 CO -0.00 0.06 0.43 -0.70 0.00 0.00 0.00 175.10 174.88 1isk s GLU 66 N 0.21 0.50 -0.32 2.72 2.12 -0.39 -4.58 118.70 118.95 1isk s GLU 66 Ca -0.02 0.59 -0.28 0.00 0.36 0.00 0.00 54.97 55.63 1isk s GLU 66 Cb -0.04 0.24 0.01 0.00 0.26 0.00 0.00 34.13 34.61 1isk s GLU 66 CO -0.01 -0.06 1.01 -0.51 -0.54 0.00 0.00 175.26 175.16 1isk s LEU 67 N 0.23 3.96 -0.04 2.70 2.01 -1.26 -0.33 118.68 125.95 1isk s LEU 67 Ca -0.00 0.92 0.06 0.00 0.01 0.00 0.00 54.13 55.12 1isk s LEU 67 Cb -0.03 -3.43 -0.09 0.00 0.01 0.00 0.00 46.19 42.65 1isk s LEU 67 CO 0.01 -0.84 0.06 1.07 1.01 0.00 0.00 176.35 177.66 1isk n THR 68 N 5.84 0.29 0.00 5.49 5.66 -1.26 -4.92 114.28 125.38 1isk n THR 68 Ca 0.10 -0.23 0.00 0.00 -3.05 0.00 0.00 64.05 60.87 1isk n THR 68 Cb 0.47 -0.44 0.00 0.00 -1.55 0.00 0.00 70.33 68.82 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 -2.07 0.00 -3.82 1.09 6.02 -1.17 -5.10 117.38 112.33 1isk n GLN 69 Ca -0.07 0.00 0.03 0.00 -0.01 0.00 0.00 57.00 56.95 1isk n GLN 69 Cb 0.53 0.00 0.01 0.00 1.02 0.00 0.00 30.24 31.79 1isk n GLN 69 CO 0.00 0.00 0.00 -1.21 -1.01 0.00 0.00 177.06 174.84 1isk s GLU 70 N 0.14 0.30 -0.18 -1.09 0.41 -1.24 -5.01 118.70 112.03 1isk s GLU 70 Ca 0.00 -0.18 -0.01 0.00 -0.41 0.00 0.00 54.97 54.37 1isk s GLU 70 Cb 0.00 0.09 -0.00 0.00 -1.78 0.00 0.00 34.13 32.44 1isk s GLU 70 CO 0.00 -0.14 -0.12 0.08 -0.49 0.00 0.00 175.26 174.59 1isk s VAL 71 N -2.13 2.84 -1.07 2.63 1.01 -1.26 -1.14 120.40 121.28 1isk s VAL 71 Ca 0.23 -0.69 -0.11 0.00 0.00 0.00 0.00 61.98 61.41 1isk s VAL 71 Cb 0.02 -2.23 0.25 0.00 0.00 0.00 0.00 36.38 34.42 1isk s VAL 71 CO -0.03 0.49 1.09 -0.13 0.00 0.00 0.00 175.10 176.53 1isk s ARG 72 N 1.04 4.06 -0.14 2.72 1.81 0.10 -4.89 118.95 123.65 1isk s ARG 72 Ca -0.01 -2.94 -0.21 0.00 -1.72 0.00 0.00 55.73 50.85 1isk s ARG 72 Cb -0.15 -4.62 -0.03 0.00 -0.45 0.00 0.00 34.95 29.71 1isk s ARG 72 CO -0.03 -1.34 0.63 0.00 -0.68 0.00 0.00 175.30 173.89 1isk s ALA 73 N -0.47 3.46 0.00 2.13 0.00 -1.26 -0.08 121.76 125.54 1isk s ALA 73 Ca 0.30 -0.11 0.00 0.00 0.00 0.00 0.00 51.96 52.15 1isk s ALA 73 Cb -0.09 -2.92 0.00 0.00 0.00 0.00 0.00 23.12 20.12 1isk s ALA 73 CO -0.07 -0.31 0.00 1.55 0.00 0.00 0.00 175.76 176.93 1isk n VAL 74 N 4.20 0.00 -1.50 0.00 3.14 0.94 -4.95 118.33 120.16 1isk n VAL 74 Ca -0.02 0.00 -0.31 0.00 -2.96 0.00 0.00 64.34 61.05 1isk n VAL 74 Cb 0.51 0.00 -0.18 0.00 -1.06 0.00 0.00 33.84 33.11 1isk n VAL 74 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 1isk n ALA 75 N -3.00 0.69 -2.58 1.55 0.00 -1.26 -0.34 120.51 115.57 1isk n ALA 75 Ca 0.00 -0.59 -0.08 0.00 0.00 0.00 0.00 53.44 52.77 1isk n ALA 75 Cb 0.00 -2.41 -0.01 0.00 0.00 0.00 0.00 19.45 17.03 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 8.79 -0.99 -4.41 0.00 3.02 -1.26 -4.83 115.26 115.58 1isk n ASN 76 Ca 0.65 0.11 -0.22 0.00 -0.03 0.00 0.00 54.58 55.08 1isk n ASN 76 Cb 0.12 -0.95 -0.10 0.00 -0.61 0.00 0.00 39.78 38.23 1isk n ASN 76 CO 0.00 0.00 0.00 -0.70 -2.62 0.00 0.00 177.26 173.94 1isk s GLU 77 N -4.64 1.49 -0.42 3.52 -6.30 0.53 -0.87 118.70 112.02 1isk s GLU 77 Ca 0.15 -1.64 0.05 0.00 -2.50 0.00 0.00 54.97 51.04 1isk s GLU 77 Cb -0.09 -1.51 0.17 0.00 0.00 0.00 0.00 34.13 32.71 1isk s GLU 77 CO 0.18 0.28 0.51 0.00 0.02 0.00 0.00 175.26 176.26 1isk s ALA 78 N -2.51 -1.00 -0.63 6.30 0.00 0.14 -0.04 121.76 124.02 1isk s ALA 78 Ca 0.25 -0.79 -0.15 0.00 0.00 0.00 0.00 51.96 51.26 1isk s ALA 78 Cb -0.04 -2.30 0.16 0.00 0.00 0.00 0.00 23.12 20.94 1isk s ALA 78 CO 0.11 -2.16 0.58 0.00 0.00 0.00 0.00 175.76 174.28 1isk s ALA 79 N 1.20 3.78 0.10 0.00 0.00 0.89 -0.16 121.76 127.57 1isk s ALA 79 Ca 0.22 -2.82 0.07 0.00 0.00 0.00 0.00 51.96 49.44 1isk s ALA 79 Cb -0.07 -3.32 -0.04 0.00 0.00 0.00 0.00 23.12 19.70 1isk s ALA 79 CO -0.06 -2.10 -0.13 -0.59 0.00 0.00 0.00 175.76 172.87 1isk s PHE 80 N 1.08 2.67 -0.19 0.00 -0.12 0.55 0.03 117.98 122.00 1isk s PHE 80 Ca 0.08 -0.19 -0.05 0.00 -0.05 0.00 0.00 56.93 56.72 1isk s PHE 80 Cb -0.23 -1.42 -0.02 0.00 -0.63 0.00 0.00 43.02 40.72 1isk s PHE 80 CO -0.01 0.40 -0.01 0.00 -0.05 0.00 0.00 175.22 175.54 1isk s ALA 81 N -1.16 3.01 0.30 1.99 0.00 -0.30 0.23 121.76 125.83 1isk s ALA 81 Ca 0.19 -0.96 0.04 0.00 0.00 0.00 0.00 51.96 51.23 1isk s ALA 81 Cb -0.11 -1.72 -0.06 0.00 0.00 0.00 0.00 23.12 21.23 1isk s ALA 81 CO 0.12 -0.09 0.04 -0.59 0.00 0.00 0.00 175.76 175.24 1isk s PHE 82 N 0.89 1.86 0.02 0.00 -0.71 -0.58 -3.06 117.98 116.39 1isk s PHE 82 Ca 0.01 -0.94 0.04 0.00 -1.04 0.00 0.00 56.93 54.99 1isk s PHE 82 Cb -0.14 -1.17 -0.03 0.00 -1.21 0.00 0.00 43.02 40.46 1isk s PHE 82 CO 0.02 0.00 -0.08 0.95 -1.34 0.00 0.00 175.22 174.77 1isk s THR 83 N -3.33 3.55 -0.11 -4.49 -4.23 0.56 -2.00 115.64 105.60 1isk s THR 83 Ca 0.35 -0.86 0.03 0.00 -1.18 0.00 0.00 61.69 60.03 1isk s THR 83 Cb 0.08 -2.55 -0.00 0.00 1.34 0.00 0.00 72.50 71.36 1isk s THR 83 CO 0.14 0.36 -0.22 0.68 -0.54 0.00 0.00 174.62 175.04 1isk s VAL 84 N -1.02 2.23 -0.23 2.29 -7.23 0.14 -1.26 120.40 115.31 1isk s VAL 84 Ca 0.17 -0.96 -0.06 0.00 -1.81 0.00 0.00 61.98 59.33 1isk s VAL 84 Cb -0.11 -1.87 -0.02 0.00 0.56 0.00 0.00 36.38 34.94 1isk s VAL 84 CO 0.08 0.55 0.02 -0.44 -0.31 0.00 0.00 175.10 175.00 1isk s SER 85 N 0.37 4.74 0.00 4.85 0.01 0.32 -0.16 113.70 123.83 1isk s SER 85 Ca -0.17 -0.29 -0.02 0.00 1.31 0.00 0.00 55.95 56.78 1isk s SER 85 Cb -0.18 -1.83 -0.01 0.00 0.21 0.00 0.00 66.02 64.21 1isk s SER 85 CO 0.08 -0.02 0.03 0.72 0.41 0.00 0.00 173.24 174.46 1isk s PHE 86 N 1.51 0.12 -0.22 2.43 -0.71 -0.61 0.18 117.98 120.69 1isk s PHE 86 Ca 0.06 -0.24 -0.03 0.00 -1.04 0.00 0.00 56.93 55.68 1isk s PHE 86 Cb -0.15 -0.10 -0.00 0.00 -1.21 0.00 0.00 43.02 41.57 1isk s PHE 86 CO 0.00 -0.16 -0.07 -2.00 -1.34 0.00 0.00 175.22 171.65 1isk s GLU 87 N -1.00 3.31 0.28 1.99 2.12 -1.26 -1.32 118.70 122.83 1isk s GLU 87 Ca -0.11 -0.66 0.01 0.00 0.36 0.00 0.00 54.97 54.57 1isk s GLU 87 Cb -0.07 -2.94 0.05 0.00 0.26 0.00 0.00 34.13 31.43 1isk s GLU 87 CO -0.00 -0.20 0.39 0.66 -0.54 0.00 0.00 175.26 175.57 1isk n TYR 88 N 4.77 -3.07 -1.52 5.30 4.01 0.15 -4.88 117.16 121.92 1isk n TYR 88 Ca -0.19 -0.77 -0.25 0.00 -0.16 0.00 0.00 57.90 56.54 1isk n TYR 88 Cb 0.51 -0.28 -0.16 0.00 -0.31 0.00 0.00 39.34 39.10 1isk n TYR 88 CO 0.00 0.00 0.00 0.94 -0.46 0.00 0.00 176.86 177.34 1isk n GLN 89 N -1.70 0.23 -3.78 -0.72 0.00 -1.26 -0.75 117.38 109.39 1isk n GLN 89 Ca 0.07 -0.20 -0.23 0.00 -0.00 0.00 0.00 57.00 56.64 1isk n GLN 89 Cb 0.24 -1.95 0.02 0.00 0.00 0.00 0.00 30.24 28.55 1isk n GLN 89 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 1isk n GLY 90 N 6.05 -0.27 3.44 1.69 0.00 -1.26 -4.97 105.19 109.86 1isk n GLY 90 Ca 0.60 0.13 -0.14 0.00 0.00 0.00 0.00 46.02 46.62 1isk n GLY 90 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1isk s ARG 91 N -6.16 1.19 -0.03 1.61 1.81 0.07 -5.06 118.95 112.37 1isk s ARG 91 Ca 0.02 -0.28 0.06 0.00 -1.72 0.00 0.00 55.73 53.80 1isk s ARG 91 Cb -0.01 0.55 -0.01 0.00 -0.45 0.00 0.00 34.95 35.03 1isk s ARG 91 CO 0.84 -0.48 -0.21 0.15 -0.68 0.00 0.00 175.30 174.92 1isk s LYS 92 N -3.00 1.92 -0.05 3.54 1.02 -0.15 0.34 119.74 123.36 1isk s LYS 92 Ca -0.02 -0.74 -0.09 0.00 0.02 0.00 0.00 55.97 55.14 1isk s LYS 92 Cb -0.01 -1.74 0.02 0.00 -0.52 0.00 0.00 37.83 35.59 1isk s LYS 92 CO -0.06 0.37 0.22 0.99 -0.92 0.00 0.00 175.35 175.95 1isk s THR 93 N -0.25 0.03 -0.09 2.17 2.01 -0.43 0.28 115.64 119.35 1isk s THR 93 Ca 0.02 -0.24 0.00 0.00 0.31 0.00 0.00 61.69 61.78 1isk s THR 93 Cb -0.10 -0.39 0.02 0.00 0.01 0.00 0.00 72.50 72.03 1isk s THR 93 CO 0.01 -0.13 -0.08 0.54 -0.69 0.00 0.00 174.62 174.27 1isk s VAL 94 N -0.45 0.97 0.42 3.82 0.11 -0.23 -1.57 120.40 123.48 1isk s VAL 94 Ca -0.06 -0.29 0.08 0.00 -2.93 0.00 0.00 61.98 58.78 1isk s VAL 94 Cb -0.04 -0.98 -0.00 0.00 -1.53 0.00 0.00 36.38 33.84 1isk s VAL 94 CO 0.01 0.35 0.49 -0.69 -3.33 0.00 0.00 175.10 171.93 1isk s VAL 95 N 1.43 2.83 -0.40 2.04 1.01 0.78 -0.06 120.40 128.03 1isk s VAL 95 Ca -0.01 -1.16 0.08 0.00 0.00 0.00 0.00 61.98 60.90 1isk s VAL 95 Cb -0.13 -2.98 0.26 0.00 0.00 0.00 0.00 36.38 33.53 1isk s VAL 95 CO -0.05 0.00 0.61 0.00 0.00 0.00 0.00 175.10 175.67 1isk n ALA 96 N -1.72 1.73 -1.57 5.51 0.00 0.14 0.24 120.51 124.84 1isk n ALA 96 Ca 0.06 -3.06 -0.31 0.00 0.00 0.00 0.00 53.44 50.14 1isk n ALA 96 Cb 0.60 -0.91 0.06 0.00 0.00 0.00 0.00 19.45 19.20 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 -1.01 2.70 -0.25 0.00 0.04 -0.85 -4.74 135.00 130.89 1isk s PRO 97 Ca 0.35 0.87 -0.02 0.00 0.04 0.00 0.00 61.00 62.23 1isk s PRO 97 Cb 0.20 -1.97 0.02 0.00 0.04 0.00 0.00 34.50 32.79 1isk s PRO 97 CO -0.13 -1.24 -0.05 0.42 0.04 0.00 0.00 177.00 176.04 1isk s ILE 98 N -3.08 3.05 -0.00 0.56 1.01 -0.50 -1.53 121.20 120.71 1isk s ILE 98 Ca 0.59 -0.91 -0.19 0.00 0.00 0.00 0.00 60.65 60.14 1isk s ILE 98 Cb -0.14 -2.52 -0.06 0.00 0.01 0.00 0.00 42.46 39.75 1isk s ILE 98 CO 0.55 0.23 0.56 -1.81 0.00 0.00 0.00 174.94 174.46 1isk s ASP 99 N 1.37 6.94 -0.43 3.58 -0.00 0.13 0.22 116.67 128.48 1isk s ASP 99 Ca 0.01 1.12 0.03 0.00 -0.00 0.00 0.00 52.55 53.72 1isk s ASP 99 Cb -0.16 -2.34 0.12 0.00 -0.00 0.00 0.00 42.92 40.54 1isk s ASP 99 CO -0.04 0.15 0.18 -1.00 -0.00 0.00 0.00 175.17 174.46 1isk s HIS 100 N -0.39 3.02 0.20 4.23 3.76 0.18 -0.33 115.29 125.97 1isk s HIS 100 Ca 0.29 -2.87 -0.12 0.00 -0.15 0.00 0.00 55.06 52.21 1isk s HIS 100 Cb -0.18 -2.60 -0.07 0.00 1.11 0.00 0.00 32.58 30.84 1isk s HIS 100 CO 0.16 -0.82 0.57 -0.06 -0.85 0.00 0.00 174.74 173.74 1isk s PHE 101 N 0.35 3.51 -0.14 1.40 0.40 0.78 -1.25 117.98 123.03 1isk s PHE 101 Ca 0.15 1.00 -0.01 0.00 -0.60 0.00 0.00 56.93 57.47 1isk s PHE 101 Cb -0.23 -2.34 0.04 0.00 0.51 0.00 0.00 43.02 41.00 1isk s PHE 101 CO -0.05 0.33 -0.03 0.50 0.70 0.00 0.00 175.22 176.67 1isk s ARG 102 N -2.41 1.19 -0.16 0.44 3.52 0.41 0.29 118.95 122.22 1isk s ARG 102 Ca 0.43 -0.33 -0.27 0.00 -0.13 0.00 0.00 55.73 55.44 1isk s ARG 102 Cb -0.13 -1.74 -0.01 0.00 -1.56 0.00 0.00 34.95 31.51 1isk s ARG 102 CO 0.20 -0.40 0.89 0.12 -0.81 0.00 0.00 175.30 175.30 1isk s PHE 103 N 1.74 3.44 0.00 5.12 5.36 -0.05 -2.12 117.98 131.47 1isk s PHE 103 Ca 0.02 1.36 0.00 0.00 -0.96 0.00 0.00 56.93 57.35 1isk s PHE 103 Cb -0.14 -3.08 0.00 0.00 -0.34 0.00 0.00 43.02 39.46 1isk s PHE 103 CO -0.07 -0.26 0.00 -1.71 -1.46 0.00 0.00 175.22 171.72 1isk n ASN 104 N 5.27 0.00 -1.64 6.13 5.15 -0.59 -4.81 115.26 124.77 1isk n ASN 104 Ca 0.06 -0.13 -0.21 0.00 -0.60 0.00 0.00 54.58 53.70 1isk n ASN 104 Cb 0.48 0.00 -0.09 0.00 -0.53 0.00 0.00 39.78 39.65 1isk n ASN 104 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1isk n GLY 105 N 0.00 1.87 2.45 8.20 0.00 -1.26 -1.37 105.19 115.08 1isk n GLY 105 Ca 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 46.02 46.01 1isk n GLY 105 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1isk n ALA 106 N 1.22 -0.96 0.00 4.61 0.00 -1.26 -4.44 120.51 119.67 1isk n ALA 106 Ca -0.21 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.23 1isk n ALA 106 Cb 0.69 -0.51 0.00 0.00 0.00 0.00 0.00 19.45 19.63 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 -0.49 0.00 0.00 0.00 0.00 -0.96 -5.12 105.19 98.62 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 0.28 0.00 0.00 0.00 173.32 173.60 1isk n LYS 108 N -1.94 -1.35 -1.61 1.61 5.02 -0.47 -4.90 118.16 114.52 1isk n LYS 108 Ca 0.00 0.00 -0.52 0.00 -2.02 0.00 0.00 58.31 55.77 1isk n LYS 108 Cb 0.09 0.00 -0.06 0.00 -0.02 0.00 0.00 35.03 35.04 1isk n LYS 108 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 1isk n VAL 109 N 6.79 0.36 0.48 -0.18 0.31 -1.26 -1.54 118.33 123.30 1isk n VAL 109 Ca 0.00 -0.15 0.05 0.00 -0.01 0.00 0.00 64.34 64.24 1isk n VAL 109 Cb 0.00 -1.61 0.00 0.00 -0.91 0.00 0.00 33.84 31.32 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 5.72 0.00 -3.64 2.52 0.31 -0.90 -1.20 118.33 121.15 1isk n VAL 110 Ca 0.30 -0.40 -0.09 0.00 -0.01 0.00 0.00 64.34 64.15 1isk n VAL 110 Cb 0.22 1.14 -0.07 0.00 -0.91 0.00 0.00 33.84 34.22 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 -1.39 -0.87 -0.17 4.52 0.15 -1.22 -0.09 113.70 114.64 1isk s SER 111 Ca 0.09 1.47 -0.11 0.00 0.70 0.00 0.00 55.95 58.11 1isk s SER 111 Cb 0.09 1.40 0.05 0.00 -1.71 0.00 0.00 66.02 65.85 1isk s SER 111 CO 0.26 -0.24 0.41 0.00 1.20 0.00 0.00 173.24 174.88 1isk s MET 112 N 1.26 0.42 0.01 5.44 0.00 -0.36 -0.45 119.30 125.62 1isk s MET 112 Ca -0.07 0.72 0.03 0.00 0.00 0.00 0.00 55.69 56.37 1isk s MET 112 Cb -0.05 0.06 -0.01 0.00 0.00 0.00 0.00 34.83 34.83 1isk s MET 112 CO -0.14 -0.13 -0.08 1.03 0.00 0.00 0.00 175.02 175.70 1isk s ARG 113 N 1.03 0.63 0.39 3.16 3.00 -0.38 -0.10 118.95 126.68 1isk s ARG 113 Ca -0.07 -0.42 0.07 0.00 0.00 0.00 0.00 55.73 55.32 1isk s ARG 113 Cb -0.07 -0.58 -0.00 0.00 0.00 0.00 0.00 34.95 34.30 1isk s ARG 113 CO -0.09 0.15 0.48 0.00 0.00 0.00 0.00 175.30 175.84 1isk s ALA 114 N -0.48 4.29 -0.22 2.13 0.00 0.37 0.49 121.76 128.34 1isk s ALA 114 Ca 0.00 -1.65 -0.04 0.00 0.00 0.00 0.00 51.96 50.27 1isk s ALA 114 Cb -0.05 -1.48 0.09 0.00 0.00 0.00 0.00 23.12 21.68 1isk s ALA 114 CO 0.00 -0.17 0.17 -0.51 0.00 0.00 0.00 175.76 175.25 1isk s LEU 115 N -4.22 0.16 0.00 0.00 1.02 0.13 -3.18 118.68 112.59 1isk s LEU 115 Ca 0.49 -0.65 0.05 0.00 0.02 0.00 0.00 54.13 54.05 1isk s LEU 115 Cb -0.08 0.04 0.05 0.00 0.02 0.00 0.00 46.19 46.22 1isk s LEU 115 CO 0.31 -0.37 0.43 0.49 0.02 0.00 0.00 176.35 177.23 1isk n PHE 116 N 5.29 -2.48 -3.77 0.29 3.01 -1.26 -1.41 117.46 117.13 1isk n PHE 116 Ca -0.06 -1.19 -0.02 0.00 1.01 0.00 0.00 57.45 57.19 1isk n PHE 116 Cb 0.47 -0.30 -0.00 0.00 -0.01 0.00 0.00 39.48 39.64 1isk n PHE 116 CO 0.00 0.00 0.00 0.20 1.01 0.00 0.00 176.76 177.97 1isk s GLY 117 N -3.44 -0.17 0.00 1.37 0.00 -1.26 -5.00 107.32 98.82 1isk s GLY 117 Ca 0.33 0.11 0.25 0.00 0.00 0.00 0.00 44.72 45.41 1isk s GLY 117 CO 0.21 0.83 1.37 -1.84 0.00 0.00 0.00 173.10 173.67 1isk n GLU 118 N -0.55 0.44 -0.40 2.90 0.00 -1.26 -3.67 120.64 118.10 1isk n GLU 118 Ca -0.05 -0.29 0.08 0.00 0.00 0.00 0.00 57.16 56.90 1isk n GLU 118 Cb 0.61 -1.49 0.24 0.00 0.00 0.00 0.00 31.44 30.80 1isk n GLU 118 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.13 178.30 1isk n LYS 119 N -1.03 3.00 -0.39 3.44 3.00 -1.26 -4.34 118.16 120.59 1isk n LYS 119 Ca 0.08 -2.68 0.07 0.00 -0.00 0.00 0.00 58.31 55.79 1isk n LYS 119 Cb 0.35 -1.73 0.16 0.00 0.00 0.00 0.00 35.03 33.81 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 -0.21 1.88 -4.25 3.14 4.05 -1.24 -5.02 115.26 113.61 1isk n ASN 120 Ca 0.19 -3.33 -0.23 0.00 0.45 0.00 0.00 54.58 51.67 1isk n ASN 120 Cb 0.80 -0.45 -0.13 0.00 1.23 0.00 0.00 39.78 41.23 1isk n ASN 120 CO 0.00 0.00 0.00 -0.63 -3.05 0.00 0.00 177.26 173.58 1isk s ILE 121 N -2.74 1.55 -0.26 -1.44 1.01 -1.26 0.26 121.20 118.32 1isk s ILE 121 Ca 0.33 -1.45 -0.04 0.00 0.00 0.00 0.00 60.65 59.50 1isk s ILE 121 Cb 0.31 -1.42 0.10 0.00 0.01 0.00 0.00 42.46 41.46 1isk s ILE 121 CO -0.02 -0.08 0.16 -1.00 0.00 0.00 0.00 174.94 174.00 1isk s HIS 122 N -1.15 0.12 0.78 3.97 3.76 0.92 -4.96 115.29 118.72 1isk s HIS 122 Ca 0.04 -0.57 -0.10 0.00 -0.15 0.00 0.00 55.06 54.28 1isk s HIS 122 Cb -0.10 -0.75 0.08 0.00 1.11 0.00 0.00 32.58 32.92 1isk s HIS 122 CO 0.03 -0.77 1.13 0.00 -0.85 0.00 0.00 174.74 174.28 1isk s ALA 123 N 2.17 2.81 0.00 -1.40 0.00 -1.26 -1.07 121.76 123.01 1isk s ALA 123 Ca 0.08 -0.75 0.00 0.00 0.00 0.00 0.00 51.96 51.29 1isk s ALA 123 Cb -0.16 -2.84 0.00 0.00 0.00 0.00 0.00 23.12 20.13 1isk s ALA 123 CO -0.29 -1.57 0.00 0.41 0.00 0.00 0.00 175.76 174.31 1isk n GLY 124 N -3.20 -0.83 0.80 0.00 0.00 0.14 -4.91 105.19 97.19 1isk n GLY 124 Ca 0.08 -1.23 0.10 0.00 0.00 0.00 0.00 46.02 44.98 1isk n GLY 124 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32