#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 0.00 -4.23 7.83 2.85 -1.26 -4.72 115.26 115.72 1isk n ASN 2 Ca 0.00 0.00 -0.17 0.00 -0.11 0.00 0.00 54.58 54.30 1isk n ASN 2 Cb 0.00 0.00 -0.11 0.00 1.24 0.00 0.00 39.78 40.91 1isk n ASN 2 CO 0.00 0.00 0.00 0.28 -2.11 0.00 0.00 177.26 175.43 1isk s THR 3 N 0.00 1.26 0.22 -0.44 -1.32 -1.26 -4.99 115.64 109.11 1isk s THR 3 Ca 0.00 -1.70 0.09 0.00 -1.21 0.00 0.00 61.69 58.88 1isk s THR 3 Cb 0.00 -1.49 -0.09 0.00 -1.51 0.00 0.00 72.50 69.41 1isk s THR 3 CO 0.00 -0.44 1.50 1.55 -2.21 0.00 0.00 174.62 175.02 1isk h PRO 4 N 3.54 0.00 -0.29 7.08 0.13 -1.96 -1.30 132.00 139.19 1isk h PRO 4 Ca -0.39 0.00 -0.07 0.00 -0.87 0.00 0.00 66.00 64.66 1isk h PRO 4 Cb 1.19 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.32 1isk h PRO 4 CO 0.51 0.75 -0.10 1.49 -0.23 0.00 0.00 178.00 180.41 1isk h GLU 5 N 0.00 0.58 -0.13 0.86 4.57 -1.97 0.30 114.58 118.79 1isk h GLU 5 Ca -0.01 -0.24 -0.07 0.00 -1.18 0.00 0.00 59.36 57.87 1isk h GLU 5 Cb 1.33 -0.03 -0.00 0.00 -0.16 0.00 0.00 28.75 29.89 1isk h GLU 5 CO 0.10 0.80 -0.18 1.25 -1.18 0.00 0.00 179.01 179.80 1isk h HIS 6 N 0.34 0.44 0.81 0.92 2.76 -1.98 0.05 115.15 118.50 1isk h HIS 6 Ca 0.07 -0.14 -0.04 0.00 -2.20 0.00 0.00 60.37 58.06 1isk h HIS 6 Cb 0.60 -0.09 0.01 0.00 1.55 0.00 0.00 27.41 29.48 1isk h HIS 6 CO 0.06 0.78 -0.39 0.52 -1.30 0.00 0.00 177.93 177.60 1isk h MET 7 N -0.04 -1.05 -1.00 5.26 2.86 -1.22 -0.50 114.93 119.25 1isk h MET 7 Ca 0.02 0.07 0.11 0.00 -2.06 0.00 0.00 59.70 57.84 1isk h MET 7 Cb 0.73 0.24 -0.08 0.00 0.06 0.00 0.00 31.60 32.55 1isk h MET 7 CO 0.04 -0.70 0.63 1.15 1.06 0.00 0.00 176.91 179.09 1isk h THR 8 N -1.14 0.95 -0.53 2.22 2.02 -0.50 -0.19 112.91 115.74 1isk h THR 8 Ca -0.11 -0.35 0.05 0.00 0.77 0.00 0.00 66.41 66.77 1isk h THR 8 Cb 0.84 -0.16 -0.05 0.00 -1.74 0.00 0.00 68.15 67.04 1isk h THR 8 CO 0.18 0.19 0.27 0.00 0.37 0.00 0.00 175.52 176.53 1isk h ALA 9 N 1.52 0.68 -0.29 6.16 0.00 -0.83 0.18 119.26 126.67 1isk h ALA 9 Ca 0.48 0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.42 1isk h ALA 9 Cb 0.43 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.13 1isk h ALA 9 CO -0.25 -0.07 0.19 0.28 0.00 0.00 0.00 179.25 179.40 1isk h VAL 10 N 0.52 1.07 -0.43 0.00 2.07 0.63 0.99 116.25 121.11 1isk h VAL 10 Ca 0.23 -0.14 0.05 0.00 0.82 0.00 0.00 66.70 67.67 1isk h VAL 10 Cb 0.14 0.64 -0.05 0.00 -1.52 0.00 0.00 31.29 30.50 1isk h VAL 10 CO -0.16 0.07 0.15 0.58 0.02 0.00 0.00 177.57 178.24 1isk h VAL 11 N 0.39 0.87 0.42 2.57 2.07 -0.36 0.16 116.25 122.39 1isk h VAL 11 Ca 0.11 -0.11 -0.01 0.00 0.82 0.00 0.00 66.70 67.51 1isk h VAL 11 Cb -0.04 0.52 -0.01 0.00 -1.52 0.00 0.00 31.29 30.24 1isk h VAL 11 CO -0.03 0.06 -0.29 -0.61 0.02 0.00 0.00 177.57 176.72 1isk h GLN 12 N 0.32 -0.67 -0.99 1.57 5.75 -0.12 0.28 115.11 121.25 1isk h GLN 12 Ca 0.20 0.05 0.16 0.00 -0.15 0.00 0.00 58.65 58.91 1isk h GLN 12 Cb 0.18 0.15 -0.10 0.00 1.07 0.00 0.00 27.48 28.79 1isk h GLN 12 CO -0.20 -0.45 0.60 -0.09 -2.65 0.00 0.00 178.83 176.05 1isk h ARG 13 N -0.69 0.81 -0.29 1.69 2.43 -0.41 0.31 114.38 118.23 1isk h ARG 13 Ca -0.04 -0.05 -0.05 0.00 -0.81 0.00 0.00 59.98 59.03 1isk h ARG 13 Cb 0.58 -0.18 -0.01 0.00 -0.42 0.00 0.00 29.97 29.94 1isk h ARG 13 CO 0.02 0.53 -0.02 -0.92 -1.51 0.00 0.00 179.97 178.08 1isk h TYR 14 N 0.83 0.57 -0.06 2.20 3.20 -0.09 0.21 116.97 123.84 1isk h TYR 14 Ca 0.54 -0.11 0.03 0.00 3.14 0.00 0.00 58.73 62.33 1isk h TYR 14 Cb 0.74 -0.15 -0.03 0.00 1.54 0.00 0.00 36.73 38.83 1isk h TYR 14 CO -0.01 0.68 -0.11 0.28 -1.64 0.00 0.00 178.16 177.35 1isk h VAL 15 N 0.30 0.70 0.75 1.81 2.07 0.11 0.38 116.25 122.37 1isk h VAL 15 Ca 0.08 0.00 -0.04 0.00 0.82 0.00 0.00 66.70 67.56 1isk h VAL 15 Cb 0.47 0.70 0.01 0.00 -1.52 0.00 0.00 31.29 30.94 1isk h VAL 15 CO 0.02 0.00 -0.36 0.00 0.02 0.00 0.00 177.57 177.25 1isk h ALA 16 N 0.85 -1.18 -1.07 1.67 0.00 -0.95 -1.08 119.26 117.51 1isk h ALA 16 Ca 0.06 -0.22 0.37 0.00 0.00 0.00 0.00 54.91 55.12 1isk h ALA 16 Cb 0.25 0.39 -0.15 0.00 0.00 0.00 0.00 17.79 18.28 1isk h ALA 16 CO -0.16 -1.11 0.62 0.00 0.00 0.00 0.00 179.25 178.61 1isk h ALA 17 N -1.46 2.19 0.65 0.00 0.00 -0.45 0.62 119.26 120.80 1isk h ALA 17 Ca -0.10 0.19 -0.03 0.00 0.00 0.00 0.00 54.91 54.97 1isk h ALA 17 Cb 0.77 0.21 0.01 0.00 0.00 0.00 0.00 17.79 18.78 1isk h ALA 17 CO 0.17 -0.85 -0.31 1.25 0.00 0.00 0.00 179.25 179.51 1isk h LEU 18 N 0.19 -0.74 -1.92 0.00 5.85 0.18 1.27 115.31 120.13 1isk h LEU 18 Ca 0.78 0.00 0.00 0.00 0.84 0.00 0.00 57.88 59.50 1isk h LEU 18 Cb 2.02 0.19 0.00 0.00 0.37 0.00 0.00 40.66 43.24 1isk h LEU 18 CO -0.60 -0.48 0.01 -1.13 -0.34 0.00 0.00 178.44 175.90 1isk h ASN 19 N -0.97 0.00 0.44 1.25 -0.73 0.13 0.35 115.58 116.05 1isk h ASN 19 Ca -0.09 0.00 -0.22 0.00 1.87 0.00 0.00 56.30 57.86 1isk h ASN 19 Cb 0.70 0.00 -0.04 0.00 0.27 0.00 0.00 38.32 39.25 1isk h ASN 19 CO 0.15 0.00 -1.74 0.00 -0.37 0.00 0.00 177.43 175.47 1isk n ALA 20 N -1.87 1.82 -2.44 1.57 0.00 0.13 -4.94 120.51 114.79 1isk n ALA 20 Ca -0.02 -0.76 -0.03 0.00 0.00 0.00 0.00 53.44 52.63 1isk n ALA 20 Cb 0.05 -0.75 0.01 0.00 0.00 0.00 0.00 19.45 18.77 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 1.50 0.49 3.47 0.00 0.00 0.42 -5.00 105.19 106.07 1isk n GLY 21 Ca -0.16 -0.45 -0.43 0.00 0.00 0.00 0.00 46.02 44.98 1isk n GLY 21 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1isk s ASP 22 N -3.15 6.25 -0.02 1.61 1.01 -0.37 -4.93 116.67 117.08 1isk s ASP 22 Ca 0.04 -0.74 -0.01 0.00 0.71 0.00 0.00 52.55 52.55 1isk s ASP 22 Cb -0.02 -2.32 -0.01 0.00 1.01 0.00 0.00 42.92 41.59 1isk s ASP 22 CO 0.12 -0.93 0.13 -0.07 0.21 0.00 0.00 175.17 174.63 1isk h LEU 23 N 9.90 -0.03 -1.49 1.23 3.38 -1.94 0.23 115.31 126.58 1isk h LEU 23 Ca -0.27 0.00 0.22 0.00 0.09 0.00 0.00 57.88 57.92 1isk h LEU 23 Cb 1.09 0.01 -0.07 0.00 0.09 0.00 0.00 40.66 41.78 1isk h LEU 23 CO 0.97 0.10 0.62 -0.78 0.09 0.00 0.00 178.44 179.44 1isk h ASP 24 N -0.28 0.41 0.05 -0.43 -0.00 -1.98 0.22 116.42 114.41 1isk h ASP 24 Ca -0.00 0.05 -0.00 0.00 -0.00 0.00 0.00 57.03 57.07 1isk h ASP 24 Cb 0.03 -0.02 0.00 0.00 -0.00 0.00 0.00 39.33 39.34 1isk h ASP 24 CO 0.01 0.15 -0.02 1.23 -0.00 0.00 0.00 179.24 180.60 1isk h GLY 25 N 0.40 -0.07 -0.89 -0.78 0.00 -1.97 0.04 103.07 99.80 1isk h GLY 25 Ca 0.50 0.03 0.40 0.00 0.00 0.00 0.00 47.33 48.25 1isk h GLY 25 CO -0.20 -0.03 0.69 -2.22 0.00 0.00 0.00 176.54 174.78 1isk h ILE 26 N -0.13 0.15 -0.16 2.60 2.04 -0.62 1.58 117.51 122.97 1isk h ILE 26 Ca -0.01 -0.05 -0.04 0.00 1.00 0.00 0.00 64.86 65.76 1isk h ILE 26 Cb 0.05 -0.00 -0.00 0.00 -0.74 0.00 0.00 36.82 36.13 1isk h ILE 26 CO 0.01 0.02 -0.07 0.58 0.00 0.00 0.00 178.15 178.69 1isk h VAL 27 N 0.14 1.31 0.00 1.67 2.07 -0.60 -2.24 116.25 118.60 1isk h VAL 27 Ca 0.80 -1.11 0.00 0.00 0.82 0.00 0.00 66.70 67.21 1isk h VAL 27 Cb 2.21 1.71 0.00 0.00 -1.52 0.00 0.00 31.29 33.69 1isk h VAL 27 CO -0.56 0.33 0.00 0.00 0.02 0.00 0.00 177.57 177.35 1isk h ALA 28 N 0.68 1.00 0.33 1.67 0.00 0.41 -2.52 119.26 120.83 1isk h ALA 28 Ca 0.04 0.00 -0.02 0.00 0.00 0.00 0.00 54.91 54.93 1isk h ALA 28 Cb 0.54 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.33 1isk h ALA 28 CO 0.02 0.00 -0.16 1.25 0.00 0.00 0.00 179.25 180.36 1isk h LEU 29 N 0.00 -0.38 0.00 0.00 6.46 0.44 -3.46 115.31 118.38 1isk h LEU 29 Ca 0.00 -0.14 -0.33 0.00 -0.12 0.00 0.00 57.88 57.29 1isk h LEU 29 Cb 0.17 0.10 -0.01 0.00 -0.73 0.00 0.00 40.66 40.19 1isk h LEU 29 CO 0.00 -0.06 -0.11 2.22 -0.62 0.00 0.00 178.44 179.87 1isk n PHE 30 N -5.17 -1.72 -0.58 1.25 1.16 -0.95 -4.81 117.46 106.65 1isk n PHE 30 Ca -0.10 -1.40 -0.20 0.00 -1.87 0.00 0.00 57.45 53.87 1isk n PHE 30 Cb 0.26 -0.31 0.14 0.00 -1.61 0.00 0.00 39.48 37.96 1isk n PHE 30 CO 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 176.76 174.89 1isk n ALA 31 N -2.43 -1.30 0.56 1.98 0.00 0.37 -4.89 120.51 114.81 1isk n ALA 31 Ca -0.10 -1.06 0.08 0.00 0.00 0.00 0.00 53.44 52.37 1isk n ALA 31 Cb 0.39 -0.93 -0.11 0.00 0.00 0.00 0.00 19.45 18.80 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 -0.96 0.86 -0.03 0.00 8.00 -1.26 -4.25 116.55 118.91 1isk n ASP 32 Ca 0.04 -0.63 0.03 0.00 0.71 0.00 0.00 54.79 54.94 1isk n ASP 32 Cb 0.40 1.24 0.04 0.00 -0.02 0.00 0.00 41.12 42.78 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 -1.62 2.11 -4.33 -2.24 5.68 -1.26 -1.25 116.55 113.65 1isk n ASP 33 Ca 0.01 -2.29 -0.29 0.00 -0.50 0.00 0.00 54.79 51.73 1isk n ASP 33 Cb 0.32 -0.12 0.26 0.00 -1.14 0.00 0.00 41.12 40.45 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 -0.73 -3.41 -4.06 2.12 0.00 -1.26 -3.93 120.51 109.24 1isk n ALA 34 Ca 0.04 -1.32 -0.32 0.00 0.00 0.00 0.00 53.44 51.84 1isk n ALA 34 Cb 0.36 -1.89 -0.16 0.00 0.00 0.00 0.00 19.45 17.75 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 -2.34 1.97 -0.09 0.00 -4.23 0.08 -1.40 115.64 109.62 1isk s THR 35 Ca 0.67 -0.88 -0.11 0.00 -1.18 0.00 0.00 61.69 60.19 1isk s THR 35 Cb -0.23 -1.78 -0.05 0.00 1.34 0.00 0.00 72.50 71.78 1isk s THR 35 CO 0.65 0.53 0.26 -0.69 -0.54 0.00 0.00 174.62 174.82 1isk s VAL 36 N 1.29 5.30 -0.42 2.29 1.01 0.15 -1.35 120.40 128.66 1isk s VAL 36 Ca 0.04 0.48 0.09 0.00 0.00 0.00 0.00 61.98 62.60 1isk s VAL 36 Cb -0.13 -3.55 0.31 0.00 0.00 0.00 0.00 36.38 33.01 1isk s VAL 36 CO -0.12 0.55 0.69 -0.62 0.00 0.00 0.00 175.10 175.61 1isk n GLU 37 N 2.30 1.28 -4.32 2.72 1.02 0.11 0.24 120.64 123.98 1isk n GLU 37 Ca -0.16 -3.60 -0.34 0.00 -0.02 0.00 0.00 57.16 53.03 1isk n GLU 37 Cb 0.53 -1.66 -0.11 0.00 -0.02 0.00 0.00 31.44 30.19 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 -2.17 5.06 -0.08 1.62 -1.08 -1.26 -1.28 116.67 117.48 1isk s ASP 38 Ca 0.40 -0.02 -0.24 0.00 -0.52 0.00 0.00 52.55 52.17 1isk s ASP 38 Cb 0.27 -1.74 -0.19 0.00 -1.46 0.00 0.00 42.92 39.80 1isk s ASP 38 CO -0.09 0.22 0.87 1.55 0.52 0.00 0.00 175.17 178.24 1isk h PRO 39 N 6.33 -0.07 0.00 4.34 0.13 -1.89 -3.48 132.00 137.35 1isk h PRO 39 Ca -0.37 0.00 -0.19 0.00 -0.87 0.00 0.00 66.00 64.57 1isk h PRO 39 Cb 1.18 0.02 -0.03 0.00 0.13 0.00 0.00 31.00 32.30 1isk h PRO 39 CO 0.62 0.54 -0.12 0.28 -0.23 0.00 0.00 178.00 179.10 1isk n VAL 40 N -4.79 0.00 0.33 1.56 0.31 -1.11 0.11 118.33 114.73 1isk n VAL 40 Ca -0.08 -0.72 0.13 0.00 -0.01 0.00 0.00 64.34 63.66 1isk n VAL 40 Cb 0.32 -0.12 0.69 0.00 -0.91 0.00 0.00 33.84 33.81 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 0.29 0.00 -7.21 2.92 0.00 -1.81 -3.39 103.07 93.87 1isk h GLY 41 Ca -0.12 0.00 -0.11 0.00 0.00 0.00 0.00 47.33 47.10 1isk h GLY 41 CO 0.20 0.00 0.64 -1.26 0.00 0.00 0.00 176.54 176.12 1isk n SER 42 N -2.84 0.66 -1.36 0.19 2.88 -1.26 -2.42 113.62 109.46 1isk n SER 42 Ca -0.01 -1.29 0.00 0.00 -1.33 0.00 0.00 58.87 56.23 1isk n SER 42 Cb 0.48 -1.30 0.00 0.00 -0.75 0.00 0.00 64.21 62.65 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 7.62 0.00 -1.53 -1.46 1.02 -1.26 -4.70 120.64 120.33 1isk n GLU 43 Ca 0.51 0.45 -0.29 0.00 -0.02 0.00 0.00 57.16 57.81 1isk n GLU 43 Cb 0.35 -1.36 0.18 0.00 -0.02 0.00 0.00 31.44 30.58 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 -1.54 0.39 -0.04 3.49 0.04 -1.02 -4.67 135.00 131.65 1isk s PRO 44 Ca 0.00 -0.00 -0.16 0.00 0.04 0.00 0.00 61.00 60.88 1isk s PRO 44 Cb 0.00 -1.78 0.03 0.00 0.04 0.00 0.00 34.50 32.79 1isk s PRO 44 CO 0.00 -2.65 0.35 1.03 0.04 0.00 0.00 177.00 175.77 1isk s ARG 45 N -5.49 0.66 -0.03 4.56 1.81 0.14 -4.99 118.95 115.61 1isk s ARG 45 Ca 0.68 -0.04 -0.03 0.00 -1.72 0.00 0.00 55.73 54.63 1isk s ARG 45 Cb -0.10 0.30 0.01 0.00 -0.45 0.00 0.00 34.95 34.71 1isk s ARG 45 CO 0.54 -0.17 0.09 -1.54 -0.68 0.00 0.00 175.30 173.53 1isk s SER 46 N -1.07 -0.09 0.00 0.23 1.04 -1.26 0.32 113.70 112.87 1isk s SER 46 Ca -0.11 0.17 0.00 0.00 0.48 0.00 0.00 55.95 56.49 1isk s SER 46 Cb -0.04 0.17 0.00 0.00 0.10 0.00 0.00 66.02 66.25 1isk s SER 46 CO 0.04 -0.03 0.00 0.61 0.98 0.00 0.00 173.24 174.84 1isk n GLY 47 N 3.06 -0.70 0.06 7.32 0.00 -0.49 -3.92 105.19 110.51 1isk n GLY 47 Ca -0.13 -1.53 0.06 0.00 0.00 0.00 0.00 46.02 44.43 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 -0.15 1.36 0.08 2.61 -2.24 -0.38 0.05 114.28 115.61 1isk n THR 48 Ca 0.00 0.46 -0.04 0.00 -2.27 0.00 0.00 64.05 62.21 1isk n THR 48 Cb 0.00 -1.40 -0.02 0.00 -2.10 0.00 0.00 70.33 66.81 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 2.15 -0.43 -0.23 6.98 0.00 -1.86 -0.44 119.26 125.44 1isk h ALA 49 Ca 0.00 -0.05 -0.14 0.00 0.00 0.00 0.00 54.91 54.72 1isk h ALA 49 Cb 0.11 0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.98 1isk h ALA 49 CO 0.00 -0.41 -0.44 0.00 0.00 0.00 0.00 179.25 178.40 1isk h ALA 50 N -1.58 0.80 0.23 0.00 0.00 -1.63 0.96 119.26 118.04 1isk h ALA 50 Ca -0.02 -0.46 -0.01 0.00 0.00 0.00 0.00 54.91 54.41 1isk h ALA 50 Cb 0.18 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.87 1isk h ALA 50 CO 0.04 0.66 -0.11 0.82 0.00 0.00 0.00 179.25 180.66 1isk h ILE 51 N 0.46 0.78 0.62 0.00 2.04 -0.51 0.40 117.51 121.30 1isk h ILE 51 Ca 0.03 -0.04 -0.03 0.00 1.00 0.00 0.00 64.86 65.82 1isk h ILE 51 Cb 0.96 0.80 0.01 0.00 -0.74 0.00 0.00 36.82 37.85 1isk h ILE 51 CO 0.09 0.01 -0.30 -0.09 0.00 0.00 0.00 178.15 177.86 1isk h ARG 52 N -0.33 -0.80 -0.93 2.37 1.12 -1.01 -1.45 114.38 113.35 1isk h ARG 52 Ca -0.03 0.05 0.26 0.00 -1.11 0.00 0.00 59.98 59.15 1isk h ARG 52 Cb 0.25 0.18 -0.14 0.00 -0.01 0.00 0.00 29.97 30.25 1isk h ARG 52 CO 0.05 -0.53 0.40 1.49 -3.11 0.00 0.00 179.97 178.27 1isk h GLU 53 N -1.04 0.31 0.87 0.20 4.81 -0.84 0.26 114.58 119.16 1isk h GLU 53 Ca -0.08 -0.02 -0.04 0.00 -0.13 0.00 0.00 59.36 59.08 1isk h GLU 53 Cb 0.64 -0.07 0.01 0.00 0.63 0.00 0.00 28.75 29.95 1isk h GLU 53 CO 0.14 0.21 -0.43 0.35 -0.73 0.00 0.00 179.01 178.55 1isk h PHE 54 N 0.32 -1.11 0.00 0.92 3.57 -0.12 -0.99 116.94 119.53 1isk h PHE 54 Ca 0.62 -0.02 0.00 0.00 3.53 0.00 0.00 57.97 62.09 1isk h PHE 54 Cb 1.28 0.37 0.00 0.00 2.79 0.00 0.00 35.95 40.39 1isk h PHE 54 CO -0.14 -0.69 0.02 1.88 -2.23 0.00 0.00 178.31 177.16 1isk h TYR 55 N -1.18 0.00 0.06 0.41 0.05 0.02 -0.32 116.97 116.00 1isk h TYR 55 Ca -0.12 0.00 -0.00 0.00 0.05 0.00 0.00 58.73 58.66 1isk h TYR 55 Cb 0.91 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.65 1isk h TYR 55 CO -0.02 0.00 -0.03 0.00 -1.05 0.00 0.00 178.16 177.06 1isk h ALA 56 N 1.95 -0.29 -0.88 3.88 0.00 0.22 0.14 119.26 124.27 1isk h ALA 56 Ca 0.00 -0.02 0.21 0.00 0.00 0.00 0.00 54.91 55.10 1isk h ALA 56 Cb 0.05 0.03 -0.06 0.00 0.00 0.00 0.00 17.79 17.81 1isk h ALA 56 CO 0.00 -0.28 0.59 -2.95 0.00 0.00 0.00 179.25 176.61 1isk h ASN 57 N -0.26 0.32 0.54 0.00 -1.07 -0.98 0.25 115.58 114.39 1isk h ASN 57 Ca -0.01 0.03 -0.03 0.00 0.07 0.00 0.00 56.30 56.37 1isk h ASN 57 Cb 0.07 -0.03 0.01 0.00 -2.07 0.00 0.00 38.32 36.30 1isk h ASN 57 CO 0.01 0.13 -0.26 0.28 0.07 0.00 0.00 177.43 177.66 1isk h SER 58 N 0.32 -0.61 0.00 6.14 0.02 -1.13 -2.90 113.55 115.39 1isk h SER 58 Ca 0.45 0.01 0.00 0.00 -0.84 0.00 0.00 61.79 61.41 1isk h SER 58 Cb 1.25 0.16 0.00 0.00 0.14 0.00 0.00 62.40 63.95 1isk h SER 58 CO -0.14 -0.20 0.28 -0.07 -1.14 0.00 0.00 176.83 175.56 1isk h LEU 59 N -1.18 0.00 -1.88 5.07 3.38 0.26 -1.48 115.31 119.49 1isk h LEU 59 Ca -0.07 0.00 0.53 0.00 0.09 0.00 0.00 57.88 58.42 1isk h LEU 59 Cb 0.56 0.00 -0.07 0.00 0.09 0.00 0.00 40.66 41.24 1isk h LEU 59 CO 0.12 0.00 1.38 0.50 0.09 0.00 0.00 178.44 180.53 1isk h LYS 60 N 0.00 0.00 -5.68 1.13 1.63 -0.32 -3.34 116.57 109.99 1isk h LYS 60 Ca 0.00 0.00 -0.58 0.00 -0.85 0.00 0.00 60.65 59.22 1isk h LYS 60 Cb 0.57 0.00 -0.09 0.00 -0.60 0.00 0.00 32.23 32.11 1isk h LYS 60 CO 0.00 0.00 -0.06 -1.17 -3.45 0.00 0.00 179.45 174.77 1isk s LEU 61 N -7.71 4.22 -0.66 5.20 2.96 -0.56 -4.95 118.68 117.18 1isk s LEU 61 Ca -0.05 0.80 -0.06 0.00 -0.22 0.00 0.00 54.13 54.60 1isk s LEU 61 Cb 0.25 -2.75 -0.13 0.00 0.50 0.00 0.00 46.19 44.06 1isk s LEU 61 CO 0.84 -0.10 2.65 -0.81 -1.32 0.00 0.00 176.35 177.61 1isk n PRO 62 N 4.20 2.20 -0.82 0.98 -0.04 -1.25 -4.88 135.00 135.38 1isk n PRO 62 Ca -0.05 -1.31 -0.17 0.00 -0.04 0.00 0.00 63.50 61.93 1isk n PRO 62 Cb 0.51 -2.27 0.13 0.00 -0.04 0.00 0.00 33.50 31.84 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 3.34 0.00 -3.38 1.53 -0.00 -1.26 -4.66 117.00 112.57 1isk n LEU 63 Ca 0.47 -0.75 -0.14 0.00 -0.00 0.00 0.00 56.01 55.59 1isk n LEU 63 Cb 0.41 -0.59 -0.09 0.00 -0.00 0.00 0.00 43.42 43.15 1isk n LEU 63 CO 0.49 -1.41 -0.13 0.00 -0.00 0.00 0.00 177.39 176.33 1isk s ALA 64 N -3.42 -0.72 0.37 1.47 0.00 0.95 -4.93 121.76 115.48 1isk s ALA 64 Ca 0.42 0.14 -0.10 0.00 0.00 0.00 0.00 51.96 52.42 1isk s ALA 64 Cb -0.03 -1.76 -0.07 0.00 0.00 0.00 0.00 23.12 21.27 1isk s ALA 64 CO 0.31 -1.55 0.72 0.08 0.00 0.00 0.00 175.76 175.33 1isk s VAL 65 N 2.43 4.81 -0.29 0.00 1.01 -1.26 -1.08 120.40 126.03 1isk s VAL 65 Ca 0.10 0.57 -0.18 0.00 0.00 0.00 0.00 61.98 62.47 1isk s VAL 65 Cb -0.14 -3.71 0.14 0.00 0.00 0.00 0.00 36.38 32.67 1isk s VAL 65 CO -0.26 -0.42 1.00 -1.83 0.00 0.00 0.00 175.10 173.59 1isk s GLU 66 N -3.63 0.38 0.64 2.72 -1.05 -0.34 -4.85 118.70 112.57 1isk s GLU 66 Ca 0.50 0.62 -0.16 0.00 -0.15 0.00 0.00 54.97 55.79 1isk s GLU 66 Cb -0.10 0.10 -0.01 0.00 -0.44 0.00 0.00 34.13 33.67 1isk s GLU 66 CO 0.29 -0.07 1.11 -1.17 0.95 0.00 0.00 175.26 176.36 1isk s LEU 67 N 1.13 3.45 0.00 1.83 0.20 -1.26 -0.35 118.68 123.68 1isk s LEU 67 Ca -0.07 2.01 0.00 0.00 0.69 0.00 0.00 54.13 56.77 1isk s LEU 67 Cb -0.04 -4.55 0.00 0.00 -0.43 0.00 0.00 46.19 41.17 1isk s LEU 67 CO -0.13 -1.53 0.60 1.07 -0.29 0.00 0.00 176.35 176.06 1isk n THR 68 N -2.21 0.00 0.00 3.68 5.66 -1.26 -4.82 114.28 115.33 1isk n THR 68 Ca 0.10 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.10 1isk n THR 68 Cb 0.52 0.30 0.00 0.00 -1.55 0.00 0.00 70.33 69.60 1isk n THR 68 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1isk n GLN 69 N 0.00 0.00 -3.75 1.09 6.02 -1.24 -5.03 117.38 114.46 1isk n GLN 69 Ca -0.17 0.00 -0.09 0.00 -0.01 0.00 0.00 57.00 56.74 1isk n GLN 69 Cb 0.52 0.00 -0.02 0.00 1.02 0.00 0.00 30.24 31.75 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 1.02 1.60 -0.27 -1.09 0.41 -1.26 -5.02 118.70 114.09 1isk s GLU 70 Ca 0.00 -0.87 0.01 0.00 -0.41 0.00 0.00 54.97 53.69 1isk s GLU 70 Cb 0.00 0.58 0.08 0.00 -1.78 0.00 0.00 34.13 33.01 1isk s GLU 70 CO 0.00 -0.72 0.01 0.08 -0.49 0.00 0.00 175.26 174.14 1isk s VAL 71 N -3.88 1.42 0.50 2.63 1.01 -1.26 -1.40 120.40 119.42 1isk s VAL 71 Ca 0.09 -1.43 -0.19 0.00 0.00 0.00 0.00 61.98 60.45 1isk s VAL 71 Cb -0.04 -1.87 -0.08 0.00 0.00 0.00 0.00 36.38 34.39 1isk s VAL 71 CO 0.01 -0.36 1.01 -0.13 0.00 0.00 0.00 175.10 175.63 1isk s ARG 72 N 1.40 3.86 -0.27 2.72 1.81 0.13 -4.86 118.95 123.73 1isk s ARG 72 Ca 0.02 1.18 -0.12 0.00 -1.72 0.00 0.00 55.73 55.09 1isk s ARG 72 Cb -0.18 -2.12 0.10 0.00 -0.45 0.00 0.00 34.95 32.30 1isk s ARG 72 CO -0.12 -0.36 0.61 0.00 -0.68 0.00 0.00 175.30 174.76 1isk s ALA 73 N -2.25 -1.79 0.00 2.13 0.00 -1.26 -0.03 121.76 118.56 1isk s ALA 73 Ca 0.63 2.20 0.00 0.00 0.00 0.00 0.00 51.96 54.79 1isk s ALA 73 Cb -0.13 -1.52 0.00 0.00 0.00 0.00 0.00 23.12 21.47 1isk s ALA 73 CO 0.23 -0.65 0.00 0.28 0.00 0.00 0.00 175.76 175.63 1isk n VAL 74 N 4.92 0.00 -1.26 0.00 0.31 0.11 -4.97 118.33 117.44 1isk n VAL 74 Ca -0.16 0.00 -0.22 0.00 -0.01 0.00 0.00 64.34 63.95 1isk n VAL 74 Cb 0.53 0.00 -0.18 0.00 -0.91 0.00 0.00 33.84 33.28 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 0.80 -2.81 3.52 0.00 -1.26 -1.54 120.51 116.22 1isk n ALA 75 Ca 0.00 -0.59 -0.05 0.00 0.00 0.00 0.00 53.44 52.81 1isk n ALA 75 Cb 0.00 -1.99 -0.01 0.00 0.00 0.00 0.00 19.45 17.45 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 5.56 0.11 -3.67 0.00 4.13 -1.26 -4.77 115.26 115.36 1isk n ASN 76 Ca 0.57 -0.19 -0.10 0.00 1.68 0.00 0.00 54.58 56.53 1isk n ASN 76 Cb 0.10 -0.24 -0.05 0.00 -1.54 0.00 0.00 39.78 38.05 1isk n ASN 76 CO 0.00 0.00 0.00 -0.70 0.28 0.00 0.00 177.26 176.84 1isk s GLU 77 N -3.72 1.01 -0.10 3.52 2.12 -0.59 -1.13 118.70 119.82 1isk s GLU 77 Ca 0.00 -0.70 -0.04 0.00 0.36 0.00 0.00 54.97 54.60 1isk s GLU 77 Cb -0.00 0.44 0.05 0.00 0.26 0.00 0.00 34.13 34.88 1isk s GLU 77 CO 0.15 -0.38 0.21 0.00 -0.54 0.00 0.00 175.26 174.70 1isk s ALA 78 N -3.61 -0.40 -0.26 6.30 0.00 -0.09 0.04 121.76 123.73 1isk s ALA 78 Ca 0.02 0.81 0.01 0.00 0.00 0.00 0.00 51.96 52.79 1isk s ALA 78 Cb 0.02 -0.74 0.07 0.00 0.00 0.00 0.00 23.12 22.48 1isk s ALA 78 CO -0.10 -0.39 -0.00 0.00 0.00 0.00 0.00 175.76 175.27 1isk s ALA 79 N 1.79 1.96 0.22 0.00 0.00 0.95 0.16 121.76 126.84 1isk s ALA 79 Ca -0.04 -1.57 0.11 0.00 0.00 0.00 0.00 51.96 50.47 1isk s ALA 79 Cb -0.11 -1.54 -0.05 0.00 0.00 0.00 0.00 23.12 21.42 1isk s ALA 79 CO -0.07 -1.37 -0.20 -0.59 0.00 0.00 0.00 175.76 173.53 1isk s PHE 80 N 1.39 2.36 -0.12 0.00 -0.71 0.67 0.17 117.98 121.74 1isk s PHE 80 Ca 0.00 -0.33 -0.00 0.00 -1.04 0.00 0.00 56.93 55.57 1isk s PHE 80 Cb -0.18 -1.12 -0.02 0.00 -1.21 0.00 0.00 43.02 40.49 1isk s PHE 80 CO -0.10 0.57 -0.12 0.00 -1.34 0.00 0.00 175.22 174.23 1isk s ALA 81 N -1.95 2.70 0.27 1.99 0.00 -0.49 0.34 121.76 124.62 1isk s ALA 81 Ca 0.24 -0.89 0.03 0.00 0.00 0.00 0.00 51.96 51.35 1isk s ALA 81 Cb -0.07 -1.23 -0.04 0.00 0.00 0.00 0.00 23.12 21.79 1isk s ALA 81 CO 0.12 0.31 0.19 -0.59 0.00 0.00 0.00 175.76 175.80 1isk s PHE 82 N 0.13 1.49 0.28 0.00 -0.71 -0.66 -3.72 117.98 114.79 1isk s PHE 82 Ca -0.06 -1.49 0.08 0.00 -1.04 0.00 0.00 56.93 54.43 1isk s PHE 82 Cb -0.15 -0.69 -0.04 0.00 -1.21 0.00 0.00 43.02 40.94 1isk s PHE 82 CO 0.04 -0.70 0.14 0.95 -1.34 0.00 0.00 175.22 174.31 1isk s THR 83 N -3.76 3.85 -0.07 -4.49 -4.23 0.53 -2.18 115.64 105.30 1isk s THR 83 Ca 0.39 -1.59 -0.03 0.00 -1.18 0.00 0.00 61.69 59.28 1isk s THR 83 Cb 0.05 -3.15 0.04 0.00 1.34 0.00 0.00 72.50 70.78 1isk s THR 83 CO 0.19 -0.32 0.14 0.68 -0.54 0.00 0.00 174.62 174.77 1isk s VAL 84 N -2.25 -0.13 -0.43 2.29 -7.23 0.19 -1.20 120.40 111.64 1isk s VAL 84 Ca 0.34 0.26 -0.09 0.00 -1.81 0.00 0.00 61.98 60.68 1isk s VAL 84 Cb -0.06 -0.24 0.09 0.00 0.56 0.00 0.00 36.38 36.72 1isk s VAL 84 CO 0.23 0.11 0.28 -0.55 -0.31 0.00 0.00 175.10 174.86 1isk s SER 85 N 1.64 5.65 0.48 4.85 0.15 -0.24 0.14 113.70 126.37 1isk s SER 85 Ca -0.04 -1.57 -0.04 0.00 0.70 0.00 0.00 55.95 54.99 1isk s SER 85 Cb -0.12 -1.99 -0.03 0.00 -1.71 0.00 0.00 66.02 62.17 1isk s SER 85 CO -0.05 -0.57 0.77 -0.36 1.20 0.00 0.00 173.24 174.23 1isk s PHE 86 N 1.42 3.52 -0.35 3.44 0.08 0.59 -0.03 117.98 126.63 1isk s PHE 86 Ca 0.04 0.73 0.05 0.00 0.12 0.00 0.00 56.93 57.87 1isk s PHE 86 Cb -0.24 -2.30 0.17 0.00 -0.57 0.00 0.00 43.02 40.09 1isk s PHE 86 CO 0.02 -0.29 0.50 -2.00 -0.10 0.00 0.00 175.22 173.35 1isk s GLU 87 N -4.72 0.64 -0.06 0.44 2.12 -1.22 -1.38 118.70 114.51 1isk s GLU 87 Ca 0.47 -0.21 0.01 0.00 0.36 0.00 0.00 54.97 55.60 1isk s GLU 87 Cb -0.10 -0.20 0.02 0.00 0.26 0.00 0.00 34.13 34.11 1isk s GLU 87 CO 0.44 -1.13 -0.08 1.52 -0.54 0.00 0.00 175.26 175.47 1isk s TYR 88 N 2.05 1.12 -1.21 5.30 -0.85 -0.27 -4.52 117.35 118.97 1isk s TYR 88 Ca 0.14 -0.41 -0.18 0.00 -0.52 0.00 0.00 57.07 56.10 1isk s TYR 88 Cb -0.10 -0.91 -0.00 0.00 0.38 0.00 0.00 41.96 41.33 1isk s TYR 88 CO -0.14 -0.28 0.69 1.04 -1.52 0.00 0.00 175.55 175.34 1isk n GLN 89 N 4.15 -1.60 -2.19 -3.49 1.13 -1.26 0.26 117.38 114.37 1isk n GLN 89 Ca -0.21 0.40 -0.16 0.00 -1.94 0.00 0.00 57.00 55.08 1isk n GLN 89 Cb 0.51 -4.03 -0.02 0.00 0.11 0.00 0.00 30.24 26.81 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 -1.80 0.01 3.12 1.08 0.00 -1.26 -4.92 105.19 101.41 1isk n GLY 90 Ca -0.15 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.51 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 -4.63 1.99 -0.24 1.61 6.06 0.14 -4.63 118.95 119.24 1isk s ARG 91 Ca 0.00 -1.83 -0.15 0.00 -2.50 0.00 0.00 55.73 51.25 1isk s ARG 91 Cb 0.00 -3.57 -0.04 0.00 0.06 0.00 0.00 34.95 31.40 1isk s ARG 91 CO 0.00 -1.07 0.39 0.21 -2.50 0.00 0.00 175.30 172.32 1isk s LYS 92 N 1.12 4.08 0.20 5.12 2.20 0.12 -1.11 119.74 131.47 1isk s LYS 92 Ca 0.08 0.11 0.08 0.00 -0.36 0.00 0.00 55.97 55.88 1isk s LYS 92 Cb -0.23 -3.60 -0.05 0.00 -1.51 0.00 0.00 37.83 32.44 1isk s LYS 92 CO -0.04 -0.18 -0.15 0.99 -0.36 0.00 0.00 175.35 175.61 1isk s THR 93 N 1.76 1.73 -0.22 3.43 2.01 -0.48 0.24 115.64 124.11 1isk s THR 93 Ca 0.17 -2.15 -0.03 0.00 0.31 0.00 0.00 61.69 59.98 1isk s THR 93 Cb -0.15 -1.99 0.07 0.00 0.01 0.00 0.00 72.50 70.44 1isk s THR 93 CO 0.09 -0.55 0.08 -0.69 -0.69 0.00 0.00 174.62 172.86 1isk s VAL 94 N -2.80 0.25 0.36 3.82 1.01 0.65 -0.30 120.40 123.39 1isk s VAL 94 Ca 0.21 -0.58 0.07 0.00 0.00 0.00 0.00 61.98 61.68 1isk s VAL 94 Cb -0.02 -0.96 -0.02 0.00 0.00 0.00 0.00 36.38 35.38 1isk s VAL 94 CO 0.07 -0.40 0.33 -0.69 0.00 0.00 0.00 175.10 174.40 1isk s VAL 95 N 1.97 3.31 -0.41 2.92 1.01 0.12 0.55 120.40 129.86 1isk s VAL 95 Ca 0.03 -1.35 0.08 0.00 0.00 0.00 0.00 61.98 60.75 1isk s VAL 95 Cb -0.17 -3.14 0.25 0.00 0.00 0.00 0.00 36.38 33.33 1isk s VAL 95 CO -0.17 -0.12 0.54 0.00 0.00 0.00 0.00 175.10 175.35 1isk n ALA 96 N -1.44 2.56 -1.55 5.51 0.00 0.10 0.53 120.51 126.22 1isk n ALA 96 Ca -0.00 -3.51 -0.29 0.00 0.00 0.00 0.00 53.44 49.64 1isk n ALA 96 Cb 0.60 -0.82 0.11 0.00 0.00 0.00 0.00 19.45 19.35 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 -1.28 1.67 -0.22 0.00 0.04 -0.93 -4.74 135.00 129.54 1isk s PRO 97 Ca 0.35 0.48 0.02 0.00 0.04 0.00 0.00 61.00 61.90 1isk s PRO 97 Cb 0.17 -1.88 0.04 0.00 0.04 0.00 0.00 34.50 32.86 1isk s PRO 97 CO -0.10 -1.88 -0.16 0.42 0.04 0.00 0.00 177.00 175.32 1isk s ILE 98 N -3.21 2.11 0.17 0.56 1.01 0.73 -1.65 121.20 120.92 1isk s ILE 98 Ca 0.62 -1.25 -0.20 0.00 0.00 0.00 0.00 60.65 59.82 1isk s ILE 98 Cb -0.15 -2.05 -0.08 0.00 0.01 0.00 0.00 42.46 40.20 1isk s ILE 98 CO 0.54 0.29 0.68 -1.81 0.00 0.00 0.00 174.94 174.64 1isk s ASP 99 N 1.21 7.11 -0.16 3.58 -0.00 0.15 0.42 116.67 128.97 1isk s ASP 99 Ca -0.01 1.40 -0.04 0.00 -0.00 0.00 0.00 52.55 53.90 1isk s ASP 99 Cb -0.16 -2.41 0.07 0.00 -0.00 0.00 0.00 42.92 40.42 1isk s ASP 99 CO -0.09 0.13 0.15 -2.28 -0.00 0.00 0.00 175.17 173.08 1isk s HIS 100 N -1.34 -0.05 -0.13 4.23 5.65 0.12 -0.23 115.29 123.53 1isk s HIS 100 Ca 0.38 0.07 -0.05 0.00 0.25 0.00 0.00 55.06 55.71 1isk s HIS 100 Cb -0.19 -0.49 -0.04 0.00 -1.18 0.00 0.00 32.58 30.69 1isk s HIS 100 CO 0.22 -0.49 0.04 -0.06 -0.65 0.00 0.00 174.74 173.79 1isk s PHE 101 N 2.24 3.23 -0.27 3.88 0.08 0.12 -1.48 117.98 125.78 1isk s PHE 101 Ca 0.04 0.13 0.00 0.00 0.12 0.00 0.00 56.93 57.23 1isk s PHE 101 Cb -0.15 -1.93 0.05 0.00 -0.57 0.00 0.00 43.02 40.42 1isk s PHE 101 CO -0.09 0.33 -0.06 0.50 -0.10 0.00 0.00 175.22 175.79 1isk s ARG 102 N -0.29 2.43 0.39 0.44 3.52 0.61 -0.92 118.95 125.12 1isk s ARG 102 Ca 0.07 -1.24 -0.27 0.00 -0.13 0.00 0.00 55.73 54.16 1isk s ARG 102 Cb -0.12 -3.02 -0.09 0.00 -1.56 0.00 0.00 34.95 30.16 1isk s ARG 102 CO 0.02 -0.56 1.33 -0.06 -0.81 0.00 0.00 175.30 175.23 1isk s PHE 103 N 1.20 2.82 -0.13 5.12 0.40 -0.28 -2.59 117.98 124.53 1isk s PHE 103 Ca -0.06 1.37 -0.04 0.00 -0.60 0.00 0.00 56.93 57.61 1isk s PHE 103 Cb -0.19 -3.73 -0.03 0.00 0.51 0.00 0.00 43.02 39.57 1isk s PHE 103 CO -0.04 -2.20 0.01 1.21 0.70 0.00 0.00 175.22 174.90 1isk s ASN 104 N -0.59 5.21 -0.50 1.36 2.47 0.14 -4.45 114.94 118.59 1isk s ASN 104 Ca 0.55 0.05 0.00 0.00 0.42 0.00 0.00 52.86 53.88 1isk s ASN 104 Cb -0.40 -1.69 0.00 0.00 -1.45 0.00 0.00 41.25 37.71 1isk s ASN 104 CO 0.52 0.27 0.00 0.61 -3.72 0.00 0.00 177.10 174.78 1isk n GLY 105 N 2.87 -0.44 2.46 1.21 0.00 -1.26 -0.21 105.19 109.83 1isk n GLY 105 Ca -0.18 0.00 -0.00 0.00 0.00 0.00 0.00 46.02 45.84 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 -2.25 -0.97 -0.00 4.61 0.00 -1.26 -4.59 120.51 116.04 1isk n ALA 106 Ca -0.07 0.00 -0.00 0.00 0.00 0.00 0.00 53.44 53.37 1isk n ALA 106 Cb 0.53 -0.51 -0.00 0.00 0.00 0.00 0.00 19.45 19.47 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 -0.01 3.56 0.00 0.00 0.71 -3.09 105.19 105.87 1isk n GLY 107 Ca -0.00 -0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.87 1isk n GLY 107 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1isk s LYS 108 N -2.01 0.87 -0.10 1.61 1.02 -0.67 -5.00 119.74 115.46 1isk s LYS 108 Ca -0.00 0.34 -0.30 0.00 0.02 0.00 0.00 55.97 56.03 1isk s LYS 108 Cb 0.00 0.41 -0.03 0.00 -0.52 0.00 0.00 37.83 37.69 1isk s LYS 108 CO 0.01 -0.25 1.34 0.08 -0.92 0.00 0.00 175.35 175.61 1isk s VAL 109 N -0.88 4.07 0.00 3.17 1.01 -1.26 0.29 120.40 126.79 1isk s VAL 109 Ca -0.06 1.34 0.00 0.00 0.00 0.00 0.00 61.98 63.26 1isk s VAL 109 Cb -0.01 -3.86 0.00 0.00 0.00 0.00 0.00 36.38 32.50 1isk s VAL 109 CO 0.06 -0.08 0.36 0.52 0.00 0.00 0.00 175.10 175.95 1isk n VAL 110 N 5.15 0.00 -4.24 2.92 0.31 -1.23 0.14 118.33 121.38 1isk n VAL 110 Ca 0.14 -0.46 -0.22 0.00 -0.01 0.00 0.00 64.34 63.79 1isk n VAL 110 Cb 0.45 1.06 -0.16 0.00 -0.91 0.00 0.00 33.84 34.27 1isk n VAL 110 CO 0.00 0.00 0.00 -0.44 -1.32 0.00 0.00 176.83 175.07 1isk s SER 111 N -0.21 1.26 -0.18 4.52 0.01 -1.07 -0.74 113.70 117.28 1isk s SER 111 Ca 0.00 -0.18 -0.09 0.00 1.31 0.00 0.00 55.95 56.99 1isk s SER 111 Cb 0.00 -0.57 0.07 0.00 0.21 0.00 0.00 66.02 65.73 1isk s SER 111 CO 0.00 -0.04 0.42 0.00 0.41 0.00 0.00 173.24 174.03 1isk s MET 112 N 0.94 0.38 0.21 12.44 0.23 -0.46 -0.29 119.30 132.75 1isk s MET 112 Ca -0.11 0.88 -0.11 0.00 -1.03 0.00 0.00 55.69 55.32 1isk s MET 112 Cb -0.15 0.09 -0.00 0.00 -1.53 0.00 0.00 34.83 33.24 1isk s MET 112 CO 0.00 -0.19 0.39 1.03 -2.03 0.00 0.00 175.02 174.23 1isk s ARG 113 N 1.79 1.36 0.45 3.16 0.52 -0.55 0.06 118.95 125.73 1isk s ARG 113 Ca -0.07 -1.19 0.03 0.00 -0.52 0.00 0.00 55.73 53.98 1isk s ARG 113 Cb -0.09 0.43 -0.02 0.00 0.52 0.00 0.00 34.95 35.79 1isk s ARG 113 CO -0.13 -0.54 0.08 0.00 0.02 0.00 0.00 175.30 174.73 1isk s ALA 114 N -3.99 3.38 -0.25 2.13 0.00 0.29 0.14 121.76 123.46 1isk s ALA 114 Ca 0.20 -0.94 -0.06 0.00 0.00 0.00 0.00 51.96 51.16 1isk s ALA 114 Cb 0.01 0.46 0.12 0.00 0.00 0.00 0.00 23.12 23.72 1isk s ALA 114 CO 0.04 -0.21 0.49 -0.51 0.00 0.00 0.00 175.76 175.57 1isk s LEU 115 N -3.71 -0.88 0.00 0.00 1.02 0.17 -3.66 118.68 111.62 1isk s LEU 115 Ca 0.17 0.94 0.00 0.00 0.02 0.00 0.00 54.13 55.26 1isk s LEU 115 Cb 0.02 1.65 -0.00 0.00 0.02 0.00 0.00 46.19 47.88 1isk s LEU 115 CO 0.10 -0.25 0.02 2.22 0.02 0.00 0.00 176.35 178.46 1isk n PHE 116 N 5.40 0.19 -3.82 0.29 -1.74 -1.26 -0.19 117.46 116.33 1isk n PHE 116 Ca -0.07 -0.66 -0.06 0.00 -0.56 0.00 0.00 57.45 56.10 1isk n PHE 116 Cb 0.50 -0.05 0.00 0.00 1.52 0.00 0.00 39.48 41.45 1isk n PHE 116 CO 0.00 0.00 0.00 0.20 -0.56 0.00 0.00 176.76 176.40 1isk s GLY 117 N -1.69 0.02 -0.13 4.97 0.00 -1.26 -5.01 107.32 104.21 1isk s GLY 117 Ca 0.02 -0.29 0.07 0.00 0.00 0.00 0.00 44.72 44.52 1isk s GLY 117 CO 0.02 0.39 1.18 1.18 0.00 0.00 0.00 173.10 175.87 1isk n GLU 118 N -0.53 2.94 -0.10 2.90 -0.58 -1.26 -3.39 120.64 120.62 1isk n GLU 118 Ca -0.05 -1.65 0.03 0.00 -0.42 0.00 0.00 57.16 55.07 1isk n GLU 118 Cb 0.60 -1.88 0.05 0.00 -0.57 0.00 0.00 31.44 29.63 1isk n GLU 118 CO 0.00 0.00 0.00 1.17 -0.48 0.00 0.00 177.13 177.82 1isk n LYS 119 N 0.27 1.50 -2.73 3.49 4.81 -1.26 -4.68 118.16 119.56 1isk n LYS 119 Ca 0.16 -1.63 0.00 0.00 -0.87 0.00 0.00 58.31 55.97 1isk n LYS 119 Cb 0.78 -1.02 0.05 0.00 0.02 0.00 0.00 35.03 34.86 1isk n LYS 119 CO 0.00 0.00 0.00 0.09 1.17 0.00 0.00 177.40 178.66 1isk n ASN 120 N -0.67 1.39 -3.94 3.14 4.13 -1.22 -5.07 115.26 113.03 1isk n ASN 120 Ca 0.05 -2.03 -0.17 0.00 1.68 0.00 0.00 54.58 54.12 1isk n ASN 120 Cb 0.49 -0.41 -0.15 0.00 -1.54 0.00 0.00 39.78 38.16 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 -3.34 0.46 -0.39 2.41 1.01 -1.26 0.02 121.20 120.11 1isk s ILE 121 Ca 0.27 -0.20 0.01 0.00 0.00 0.00 0.00 60.65 60.73 1isk s ILE 121 Cb 0.33 -0.42 0.13 0.00 0.01 0.00 0.00 42.46 42.52 1isk s ILE 121 CO -0.05 0.15 0.21 -1.00 0.00 0.00 0.00 174.94 174.25 1isk s HIS 122 N 0.16 1.41 0.36 3.97 3.76 0.19 -4.95 115.29 120.19 1isk s HIS 122 Ca -0.02 -1.99 -0.14 0.00 -0.15 0.00 0.00 55.06 52.76 1isk s HIS 122 Cb -0.06 -1.47 -0.08 0.00 1.11 0.00 0.00 32.58 32.09 1isk s HIS 122 CO -0.00 -0.81 0.77 0.00 -0.85 0.00 0.00 174.74 173.84 1isk s ALA 123 N 0.82 3.30 0.00 -1.40 0.00 -1.26 -0.26 121.76 122.97 1isk s ALA 123 Ca 0.17 -0.01 0.00 0.00 0.00 0.00 0.00 51.96 52.12 1isk s ALA 123 Cb -0.23 -2.78 0.00 0.00 0.00 0.00 0.00 23.12 20.11 1isk s ALA 123 CO -0.03 0.20 0.00 0.41 0.00 0.00 0.00 175.76 176.33 1isk n GLY 124 N -0.71 -0.72 3.58 0.00 0.00 0.14 -4.95 105.19 102.53 1isk n GLY 124 Ca 0.03 -1.02 0.00 0.00 0.00 0.00 0.00 46.02 45.04 1isk n GLY 124 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32