#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1isk s ASN 2 N 0.00 -0.77 0.18 6.12 2.20 -1.26 -2.39 114.94 119.02 1isk s ASN 2 Ca 0.00 0.34 0.09 0.00 -0.94 0.00 0.00 52.86 52.35 1isk s ASN 2 Cb 0.00 1.59 -0.04 0.00 -2.00 0.00 0.00 41.25 40.79 1isk s ASN 2 CO 0.00 -0.14 -0.19 0.42 -2.94 0.00 0.00 177.10 174.25 1isk s THR 3 N 2.92 1.93 0.19 0.54 -4.23 -1.26 -4.94 115.64 110.79 1isk s THR 3 Ca 0.11 -1.97 0.05 0.00 -1.18 0.00 0.00 61.69 58.69 1isk s THR 3 Cb -0.09 -1.92 -0.12 0.00 1.34 0.00 0.00 72.50 71.71 1isk s THR 3 CO -0.17 -0.30 1.44 1.55 -0.54 0.00 0.00 174.62 176.60 1isk h PRO 4 N 3.16 0.15 0.27 3.99 0.13 -1.98 -0.99 132.00 136.73 1isk h PRO 4 Ca -0.42 -0.15 -0.01 0.00 -0.87 0.00 0.00 66.00 64.55 1isk h PRO 4 Cb 1.21 0.04 0.00 0.00 0.13 0.00 0.00 31.00 32.38 1isk h PRO 4 CO 0.51 0.87 -0.13 1.49 -0.23 0.00 0.00 178.00 180.51 1isk h GLU 5 N 0.09 -0.35 -0.58 0.86 4.22 -1.98 0.15 114.58 116.99 1isk h GLU 5 Ca -0.03 0.02 -0.07 0.00 0.08 0.00 0.00 59.36 59.37 1isk h GLU 5 Cb 1.39 0.08 -0.02 0.00 0.50 0.00 0.00 28.75 30.70 1isk h GLU 5 CO 0.12 -0.06 0.09 0.45 -2.18 0.00 0.00 179.01 177.42 1isk h HIS 6 N -0.62 1.03 0.63 0.92 3.86 -1.99 -1.20 115.15 117.77 1isk h HIS 6 Ca -0.04 -0.15 -0.02 0.00 -1.16 0.00 0.00 60.37 59.00 1isk h HIS 6 Cb 0.44 -0.28 -0.01 0.00 1.06 0.00 0.00 27.41 28.63 1isk h HIS 6 CO 0.01 0.90 -0.40 0.52 0.86 0.00 0.00 177.93 179.81 1isk h MET 7 N 0.86 -0.94 -0.85 2.45 2.86 -1.12 0.17 114.93 118.36 1isk h MET 7 Ca 0.18 0.06 0.10 0.00 -2.06 0.00 0.00 59.70 57.98 1isk h MET 7 Cb 0.43 0.21 -0.08 0.00 0.06 0.00 0.00 31.60 32.23 1isk h MET 7 CO 0.01 -0.63 0.49 1.15 1.06 0.00 0.00 176.91 178.99 1isk h THR 8 N -0.98 0.90 -0.71 2.22 2.02 -0.67 0.15 112.91 115.83 1isk h THR 8 Ca -0.08 -0.28 0.01 0.00 0.77 0.00 0.00 66.41 66.83 1isk h THR 8 Cb 0.80 0.02 -0.04 0.00 -1.74 0.00 0.00 68.15 67.20 1isk h THR 8 CO 0.07 0.15 0.47 0.00 0.37 0.00 0.00 175.52 176.57 1isk h ALA 9 N 1.47 0.91 -0.01 6.16 0.00 -0.87 -0.12 119.26 126.80 1isk h ALA 9 Ca 0.41 -0.05 -0.06 0.00 0.00 0.00 0.00 54.91 55.21 1isk h ALA 9 Cb 0.40 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.89 1isk h ALA 9 CO -0.26 0.33 -0.29 -0.24 0.00 0.00 0.00 179.25 178.80 1isk h VAL 10 N 0.97 1.21 -0.29 0.00 3.04 0.12 -1.21 116.25 120.09 1isk h VAL 10 Ca 0.26 -1.01 -0.06 0.00 -1.01 0.00 0.00 66.70 64.87 1isk h VAL 10 Cb -0.11 1.53 -0.01 0.00 -2.01 0.00 0.00 31.29 30.70 1isk h VAL 10 CO -0.06 0.29 -0.07 0.58 -1.01 0.00 0.00 177.57 177.31 1isk h VAL 11 N 0.01 1.28 -0.28 1.51 2.07 0.83 0.54 116.25 122.22 1isk h VAL 11 Ca -0.00 -1.10 -0.02 0.00 0.82 0.00 0.00 66.70 66.41 1isk h VAL 11 Cb 0.52 1.40 -0.01 0.00 -1.52 0.00 0.00 31.29 31.68 1isk h VAL 11 CO 0.04 0.35 0.12 -0.61 0.02 0.00 0.00 177.57 177.49 1isk h GLN 12 N 0.32 0.42 -0.77 1.57 4.15 -0.62 -1.26 115.11 118.92 1isk h GLN 12 Ca 0.07 -0.07 -0.03 0.00 0.77 0.00 0.00 58.65 59.39 1isk h GLN 12 Cb 0.55 -0.07 -0.04 0.00 0.21 0.00 0.00 27.48 28.13 1isk h GLN 12 CO 0.03 0.44 0.38 -0.09 -1.93 0.00 0.00 178.83 177.65 1isk h ARG 13 N 0.31 1.10 0.40 1.69 9.65 -1.17 -1.41 114.38 124.96 1isk h ARG 13 Ca 0.10 -0.15 -0.02 0.00 -1.10 0.00 0.00 59.98 58.81 1isk h ARG 13 Cb 0.17 -0.20 0.00 0.00 -1.39 0.00 0.00 29.97 28.55 1isk h ARG 13 CO -0.01 0.84 -0.19 -0.92 2.80 0.00 0.00 179.97 182.49 1isk h TYR 14 N 1.09 -0.50 0.17 2.20 3.20 -0.53 -0.04 116.97 122.55 1isk h TYR 14 Ca 0.27 -0.01 0.02 0.00 3.14 0.00 0.00 58.73 62.14 1isk h TYR 14 Cb 0.10 0.17 -0.04 0.00 1.54 0.00 0.00 36.73 38.49 1isk h TYR 14 CO 0.01 -0.29 -0.36 0.28 -1.64 0.00 0.00 178.16 176.16 1isk h VAL 15 N -0.57 0.26 -0.73 1.81 2.07 -1.05 0.40 116.25 118.43 1isk h VAL 15 Ca -0.06 0.00 0.16 0.00 0.82 0.00 0.00 66.70 67.63 1isk h VAL 15 Cb 0.43 0.26 -0.12 0.00 -1.52 0.00 0.00 31.29 30.34 1isk h VAL 15 CO 0.09 0.00 0.05 0.00 0.02 0.00 0.00 177.57 177.73 1isk h ALA 16 N -0.06 0.80 -0.80 1.67 0.00 -1.19 0.66 119.26 120.35 1isk h ALA 16 Ca 0.02 0.21 -0.00 0.00 0.00 0.00 0.00 54.91 55.14 1isk h ALA 16 Cb 0.63 0.35 -0.04 0.00 0.00 0.00 0.00 17.79 18.73 1isk h ALA 16 CO -0.18 -0.40 0.48 0.00 0.00 0.00 0.00 179.25 179.15 1isk h ALA 17 N 1.66 1.01 0.26 0.00 0.00 0.09 0.21 119.26 122.50 1isk h ALA 17 Ca 0.40 -0.09 -0.00 0.00 0.00 0.00 0.00 54.91 55.22 1isk h ALA 17 Cb 0.69 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 18.15 1isk h ALA 17 CO -0.60 0.48 -0.21 1.25 0.00 0.00 0.00 179.25 180.17 1isk h LEU 18 N 1.09 -0.54 -2.11 0.00 5.85 0.45 0.14 115.31 120.19 1isk h LEU 18 Ca 0.29 0.04 -0.01 0.00 0.84 0.00 0.00 57.88 59.04 1isk h LEU 18 Cb -0.05 0.18 -0.00 0.00 0.37 0.00 0.00 40.66 41.16 1isk h LEU 18 CO -0.05 -0.32 -0.04 -1.13 -0.34 0.00 0.00 178.44 176.56 1isk h ASN 19 N -0.48 0.00 1.29 1.25 -1.24 -0.15 0.39 115.58 116.64 1isk h ASN 19 Ca -0.01 0.00 0.00 0.00 0.71 0.00 0.00 56.30 57.00 1isk h ASN 19 Cb 0.43 0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.48 1isk h ASN 19 CO -0.02 0.04 0.00 0.00 -1.29 0.00 0.00 177.43 176.16 1isk h ALA 20 N 1.96 1.00 -1.35 1.57 0.00 0.89 -3.47 119.26 119.86 1isk h ALA 20 Ca -0.00 0.00 -0.22 0.00 0.00 0.00 0.00 54.91 54.69 1isk h ALA 20 Cb 0.08 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 17.84 1isk h ALA 20 CO 0.01 0.00 -0.27 0.41 0.00 0.00 0.00 179.25 179.40 1isk n GLY 21 N 0.90 0.19 3.52 0.00 0.00 0.14 -4.93 105.19 105.01 1isk n GLY 21 Ca 0.04 -0.45 -0.43 0.00 0.00 0.00 0.00 46.02 45.19 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 -2.58 6.73 0.29 1.61 -1.08 -0.52 -4.78 116.67 116.33 1isk s ASP 22 Ca 0.00 -2.15 -0.01 0.00 -0.52 0.00 0.00 52.55 49.87 1isk s ASP 22 Cb 0.00 -2.50 0.43 0.00 -1.46 0.00 0.00 42.92 39.39 1isk s ASP 22 CO 0.00 -1.17 1.86 -0.07 0.52 0.00 0.00 175.17 176.31 1isk h LEU 23 N 11.56 0.78 0.32 -1.34 3.38 -1.91 0.26 115.31 128.35 1isk h LEU 23 Ca 0.28 -0.11 -0.02 0.00 0.09 0.00 0.00 57.88 58.12 1isk h LEU 23 Cb 0.95 -0.20 0.00 0.00 0.09 0.00 0.00 40.66 41.50 1isk h LEU 23 CO 1.32 0.73 -0.15 -2.24 0.09 0.00 0.00 178.44 178.18 1isk h ASP 24 N 0.83 -0.36 -0.87 -0.43 2.03 -1.97 -0.33 116.42 115.31 1isk h ASP 24 Ca 0.19 0.01 0.21 0.00 -0.73 0.00 0.00 57.03 56.71 1isk h ASP 24 Cb 0.21 0.09 -0.12 0.00 -0.83 0.00 0.00 39.33 38.68 1isk h ASP 24 CO -0.01 -0.02 0.36 1.23 -1.03 0.00 0.00 179.24 179.77 1isk h GLY 25 N -0.92 1.44 0.91 7.15 0.00 -1.95 0.49 103.07 110.19 1isk h GLY 25 Ca -0.04 -0.15 -0.05 0.00 0.00 0.00 0.00 47.33 47.09 1isk h GLY 25 CO 0.07 -0.24 0.02 -2.22 0.00 0.00 0.00 176.54 174.16 1isk h ILE 26 N 0.39 1.25 0.00 2.60 2.04 -0.55 0.44 117.51 123.68 1isk h ILE 26 Ca 0.53 -0.93 -0.00 0.00 1.00 0.00 0.00 64.86 65.46 1isk h ILE 26 Cb 0.98 1.19 -0.00 0.00 -0.74 0.00 0.00 36.82 38.25 1isk h ILE 26 CO -0.52 0.31 -0.01 0.58 0.00 0.00 0.00 178.15 178.51 1isk h VAL 27 N 0.40 0.04 0.00 1.67 2.07 0.13 -0.12 116.25 120.44 1isk h VAL 27 Ca 0.10 -0.21 -0.15 0.00 0.82 0.00 0.00 66.70 67.26 1isk h VAL 27 Cb 0.42 1.19 -0.03 0.00 -1.52 0.00 0.00 31.29 31.36 1isk h VAL 27 CO 0.01 0.01 -1.55 0.00 0.02 0.00 0.00 177.57 176.06 1isk n ALA 28 N -2.10 2.05 -0.30 1.67 0.00 0.14 -4.06 120.51 117.91 1isk n ALA 28 Ca -0.02 -0.59 0.06 0.00 0.00 0.00 0.00 53.44 52.89 1isk n ALA 28 Cb 0.16 -0.86 0.21 0.00 0.00 0.00 0.00 19.45 18.95 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 0.65-10.20 0.00 6.46 0.18 -3.43 115.31 108.97 1isk h LEU 29 Ca -0.17 0.07 -0.63 0.00 -0.12 0.00 0.00 57.88 57.03 1isk h LEU 29 Cb 1.52 -0.05 -0.09 0.00 -0.73 0.00 0.00 40.66 41.32 1isk h LEU 29 CO 0.03 0.32 -0.41 0.72 -0.62 0.00 0.00 178.44 178.49 1isk s PHE 30 N -5.99 1.76 1.05 1.25 -0.12 -1.19 -4.78 117.98 109.97 1isk s PHE 30 Ca -0.12 -0.89 -0.23 0.00 -0.05 0.00 0.00 56.93 55.64 1isk s PHE 30 Cb 0.21 -1.78 -0.06 0.00 -0.63 0.00 0.00 43.02 40.76 1isk s PHE 30 CO 0.78 -0.13 -0.81 0.00 -0.05 0.00 0.00 175.22 175.01 1isk n ALA 31 N -1.52 -5.02 0.31 1.99 0.00 0.11 -4.89 120.51 111.48 1isk n ALA 31 Ca -0.10 -1.30 0.11 0.00 0.00 0.00 0.00 53.44 52.16 1isk n ALA 31 Cb 0.65 -1.14 -0.07 0.00 0.00 0.00 0.00 19.45 18.89 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 1.17 0.47 -0.92 0.00 8.00 -1.26 -4.10 116.55 119.90 1isk n ASP 32 Ca -0.01 -0.12 -0.01 0.00 0.71 0.00 0.00 54.79 55.37 1isk n ASP 32 Cb 0.69 1.20 0.17 0.00 -0.02 0.00 0.00 41.12 43.15 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 -2.16 2.41 -4.37 -2.24 5.75 -1.26 -1.85 116.55 112.83 1isk n ASP 33 Ca -0.00 -3.86 -0.29 0.00 -0.01 0.00 0.00 54.79 50.62 1isk n ASP 33 Cb 0.50 -0.49 0.16 0.00 -1.03 0.00 0.00 41.12 40.25 1isk n ASP 33 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1isk s ALA 34 N -3.30 2.41 -0.03 2.12 0.00 -1.26 -4.40 121.76 117.31 1isk s ALA 34 Ca 0.41 -1.07 0.03 0.00 0.00 0.00 0.00 51.96 51.33 1isk s ALA 34 Cb 0.38 -2.80 -0.00 0.00 0.00 0.00 0.00 23.12 20.70 1isk s ALA 34 CO -0.05 -2.18 -0.11 0.95 0.00 0.00 0.00 175.76 174.38 1isk s THR 35 N -3.77 0.92 -0.02 0.00 -4.23 0.40 -1.20 115.64 107.74 1isk s THR 35 Ca 0.70 -0.45 0.04 0.00 -1.18 0.00 0.00 61.69 60.80 1isk s THR 35 Cb -0.06 -0.80 -0.03 0.00 1.34 0.00 0.00 72.50 72.95 1isk s THR 35 CO 0.51 0.28 -0.12 -0.69 -0.54 0.00 0.00 174.62 174.06 1isk s VAL 36 N 0.08 3.25 -0.40 2.29 1.01 -0.36 -0.15 120.40 126.13 1isk s VAL 36 Ca -0.02 -0.79 0.02 0.00 0.00 0.00 0.00 61.98 61.19 1isk s VAL 36 Cb -0.08 -2.33 0.12 0.00 0.00 0.00 0.00 36.38 34.08 1isk s VAL 36 CO 0.01 0.50 0.17 -0.70 0.00 0.00 0.00 175.10 175.07 1isk s GLU 37 N -1.04 1.25 -0.05 2.72 -6.30 0.27 0.24 118.70 115.79 1isk s GLU 37 Ca 0.14 -1.81 -0.02 0.00 -2.50 0.00 0.00 54.97 50.77 1isk s GLU 37 Cb -0.11 -2.53 0.04 0.00 0.00 0.00 0.00 34.13 31.53 1isk s GLU 37 CO 0.03 -1.07 0.09 0.34 0.02 0.00 0.00 175.26 174.68 1isk s ASP 38 N 0.71 0.83 0.00 -1.70 2.15 -1.26 0.38 116.67 117.78 1isk s ASP 38 Ca 0.14 0.17 0.00 0.00 0.43 0.00 0.00 52.55 53.29 1isk s ASP 38 Cb -0.22 0.02 0.00 0.00 -0.30 0.00 0.00 42.92 42.42 1isk s ASP 38 CO -0.08 -0.23 0.12 -0.81 -0.17 0.00 0.00 175.17 174.00 1isk n PRO 39 N 5.12 0.00 -3.69 4.34 -0.04 -1.26 -5.04 135.00 134.43 1isk n PRO 39 Ca -0.08 0.00 -0.14 0.00 -0.04 0.00 0.00 63.50 63.24 1isk n PRO 39 Cb 0.50 -0.62 -0.08 0.00 -0.04 0.00 0.00 33.50 33.26 1isk n PRO 39 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 1isk s VAL 40 N -0.25 0.05 0.00 0.52 1.01 -1.26 -3.32 120.40 117.15 1isk s VAL 40 Ca 0.00 -0.38 0.00 0.00 0.00 0.00 0.00 61.98 61.60 1isk s VAL 40 Cb 0.00 -0.78 0.00 0.00 0.00 0.00 0.00 36.38 35.60 1isk s VAL 40 CO 0.00 -0.21 0.00 0.61 0.00 0.00 0.00 175.10 175.50 1isk n GLY 41 N 1.00 -2.03 0.00 4.51 0.00 -1.26 -5.06 105.19 102.35 1isk n GLY 41 Ca -0.20 0.61 0.00 0.00 0.00 0.00 0.00 46.02 46.42 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 -1.62 0.00 0.00 1.61 3.41 -1.26 -5.12 113.62 110.64 1isk n SER 42 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.61 1isk n SER 42 Cb 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 63.95 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 0.00 0.00 -2.54 4.33 -0.58 -1.26 -5.16 120.64 115.43 1isk n GLU 43 Ca 0.00 0.00 -0.35 0.00 -0.42 0.00 0.00 57.16 56.39 1isk n GLU 43 Cb 0.00 0.00 -0.04 0.00 -0.57 0.00 0.00 31.44 30.83 1isk n GLU 43 CO 0.00 0.00 0.00 -1.25 -0.48 0.00 0.00 177.13 175.40 1isk s PRO 44 N 0.00 3.91 -0.32 3.49 0.04 -1.26 -4.96 135.00 135.90 1isk s PRO 44 Ca 0.00 1.41 -0.29 0.00 0.04 0.00 0.00 61.00 62.16 1isk s PRO 44 Cb 0.00 -2.23 -0.00 0.00 0.04 0.00 0.00 34.50 32.31 1isk s PRO 44 CO 0.00 -0.34 1.42 1.03 0.04 0.00 0.00 177.00 179.14 1isk s ARG 45 N -3.01 3.77 -0.07 4.56 0.52 0.14 -4.62 118.95 120.24 1isk s ARG 45 Ca 0.64 1.25 -0.06 0.00 -0.52 0.00 0.00 55.73 57.04 1isk s ARG 45 Cb -0.18 -3.96 -0.04 0.00 0.52 0.00 0.00 34.95 31.28 1isk s ARG 45 CO 0.22 -1.31 0.18 -1.54 0.02 0.00 0.00 175.30 172.87 1isk s SER 46 N 3.53 6.42 0.00 0.23 1.04 -1.26 -1.22 113.70 122.44 1isk s SER 46 Ca 0.62 0.48 0.00 0.00 0.48 0.00 0.00 55.95 57.52 1isk s SER 46 Cb -0.18 -2.07 0.00 0.00 0.10 0.00 0.00 66.02 63.88 1isk s SER 46 CO 0.27 0.35 0.00 0.61 0.98 0.00 0.00 173.24 175.46 1isk n GLY 47 N 1.64 2.02 0.66 7.32 0.00 -0.34 -4.32 105.19 112.17 1isk n GLY 47 Ca -0.17 -1.25 0.47 0.00 0.00 0.00 0.00 46.02 45.08 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 0.06 0.41 2.61 1.35 -1.63 1.00 112.91 116.71 1isk h THR 48 Ca 0.00 0.00 -0.02 0.00 -0.55 0.00 0.00 66.41 65.84 1isk h THR 48 Cb 0.00 0.07 0.00 0.00 -1.73 0.00 0.00 68.15 66.49 1isk h THR 48 CO 0.00 0.00 -0.19 0.00 -0.25 0.00 0.00 175.52 175.08 1isk h ALA 49 N 1.00 -0.54 -0.07 6.62 0.00 -1.87 0.21 119.26 124.61 1isk h ALA 49 Ca 0.82 -0.18 -0.01 0.00 0.00 0.00 0.00 54.91 55.55 1isk h ALA 49 Cb 3.44 0.21 -0.00 0.00 0.00 0.00 0.00 17.79 21.44 1isk h ALA 49 CO -0.01 -0.66 0.02 0.00 0.00 0.00 0.00 179.25 178.61 1isk h ALA 50 N -0.40 0.10 -0.30 0.00 0.00 0.63 0.31 119.26 119.60 1isk h ALA 50 Ca -0.06 -0.11 0.07 0.00 0.00 0.00 0.00 54.91 54.82 1isk h ALA 50 Cb 0.55 -0.03 -0.07 0.00 0.00 0.00 0.00 17.79 18.23 1isk h ALA 50 CO 0.09 -0.30 -0.21 0.82 0.00 0.00 0.00 179.25 179.65 1isk h ILE 51 N -0.06 0.43 -0.39 0.00 2.04 -0.50 0.12 117.51 119.14 1isk h ILE 51 Ca 0.02 0.00 -0.05 0.00 1.00 0.00 0.00 64.86 65.84 1isk h ILE 51 Cb 0.20 0.43 -0.02 0.00 -0.74 0.00 0.00 36.82 36.69 1isk h ILE 51 CO -0.00 0.00 0.04 -0.09 0.00 0.00 0.00 178.15 178.10 1isk h ARG 52 N -0.18 0.59 -0.23 2.37 1.12 -0.40 -0.98 114.38 116.65 1isk h ARG 52 Ca 0.16 -0.12 0.05 0.00 -1.11 0.00 0.00 59.98 58.96 1isk h ARG 52 Cb 0.43 -0.09 -0.05 0.00 -0.01 0.00 0.00 29.97 30.25 1isk h ARG 52 CO -0.41 0.58 -0.07 1.49 -3.11 0.00 0.00 179.97 178.45 1isk h GLU 53 N 0.57 -0.02 0.45 0.20 4.22 0.21 0.39 114.58 120.61 1isk h GLU 53 Ca 0.13 0.00 -0.02 0.00 0.08 0.00 0.00 59.36 59.54 1isk h GLU 53 Cb 0.30 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.55 1isk h GLU 53 CO 0.00 -0.01 -0.22 0.74 -2.18 0.00 0.00 179.01 177.35 1isk h PHE 54 N -0.02 -0.56 -0.23 0.92 -1.00 -0.82 -1.25 116.94 113.98 1isk h PHE 54 Ca 0.12 -0.01 0.07 0.00 2.81 0.00 0.00 57.97 60.95 1isk h PHE 54 Cb 0.19 0.19 -0.01 0.00 3.61 0.00 0.00 35.95 39.93 1isk h PHE 54 CO -0.25 -0.35 0.57 1.88 -1.61 0.00 0.00 178.31 178.55 1isk h TYR 55 N -1.01 0.00 0.00 -0.55 -1.99 -1.16 0.42 116.97 112.67 1isk h TYR 55 Ca -0.06 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.67 1isk h TYR 55 Cb 0.47 0.00 0.00 0.00 2.00 0.00 0.00 36.73 39.20 1isk h TYR 55 CO 0.02 0.00 -0.01 0.00 -0.00 0.00 0.00 178.16 178.17 1isk h ALA 56 N 1.08 0.00 -0.28 3.88 0.00 -0.12 -1.12 119.26 122.70 1isk h ALA 56 Ca 0.11 -0.03 0.08 0.00 0.00 0.00 0.00 54.91 55.07 1isk h ALA 56 Cb 1.25 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 19.03 1isk h ALA 56 CO -0.00 0.01 0.53 -0.97 0.00 0.00 0.00 179.25 178.82 1isk h ASN 57 N -0.22 0.00 0.00 0.00 -0.73 -0.41 0.17 115.58 114.39 1isk h ASN 57 Ca 0.00 0.00 -0.00 0.00 1.87 0.00 0.00 56.30 58.17 1isk h ASN 57 Cb 0.01 0.00 0.00 0.00 0.27 0.00 0.00 38.32 38.60 1isk h ASN 57 CO 0.00 0.00 -0.00 0.28 -0.37 0.00 0.00 177.43 177.34 1isk h SER 58 N 0.00 -0.00 0.00 1.15 0.02 -0.29 -3.26 113.55 111.16 1isk h SER 58 Ca 0.13 -0.34 0.00 0.00 -0.84 0.00 0.00 61.79 60.74 1isk h SER 58 Cb 1.19 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.73 1isk h SER 58 CO -0.00 0.67 0.20 -0.07 -1.14 0.00 0.00 176.83 176.49 1isk h LEU 59 N -1.00 0.00 -1.87 5.07 3.38 0.37 0.82 115.31 122.09 1isk h LEU 59 Ca -0.00 0.00 0.05 0.00 0.09 0.00 0.00 57.88 58.02 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 0.00 0.00 0.42 0.50 0.09 0.00 0.00 178.44 179.45 1isk h LYS 60 N 0.00 0.00 -5.66 1.13 3.64 -0.81 -3.39 116.57 111.48 1isk h LYS 60 Ca 0.00 0.00 -0.67 0.00 -1.27 0.00 0.00 60.65 58.71 1isk h LYS 60 Cb 0.40 0.00 -0.07 0.00 -0.41 0.00 0.00 32.23 32.15 1isk h LYS 60 CO 0.00 0.00 -0.46 -1.17 -2.27 0.00 0.00 179.45 175.55 1isk s LEU 61 N -6.28 4.39 -0.66 5.20 2.96 0.28 -4.98 118.68 119.59 1isk s LEU 61 Ca -0.03 0.50 -0.06 0.00 -0.22 0.00 0.00 54.13 54.31 1isk s LEU 61 Cb 0.11 -2.10 -0.13 0.00 0.50 0.00 0.00 46.19 44.57 1isk s LEU 61 CO 0.35 0.40 2.65 -0.81 -1.32 0.00 0.00 176.35 177.62 1isk n PRO 62 N 1.99 2.19 -3.47 0.98 -0.04 -1.26 -4.86 135.00 130.53 1isk n PRO 62 Ca -0.20 -1.30 -0.37 0.00 -0.04 0.00 0.00 63.50 61.59 1isk n PRO 62 Cb 0.55 -2.27 -0.06 0.00 -0.04 0.00 0.00 33.50 31.68 1isk n PRO 62 CO 0.00 0.00 0.00 -1.17 -0.04 0.00 0.00 175.50 174.29 1isk s LEU 63 N 0.07 4.31 -0.41 1.53 1.98 -1.26 -4.79 118.68 120.11 1isk s LEU 63 Ca 0.51 0.70 -0.07 0.00 -2.89 0.00 0.00 54.13 52.38 1isk s LEU 63 Cb 0.18 -2.51 0.09 0.00 0.66 0.00 0.00 46.19 44.61 1isk s LEU 63 CO -0.02 0.13 0.23 0.00 -1.89 0.00 0.00 176.35 174.79 1isk s ALA 64 N 0.13 3.22 0.12 5.97 0.00 -0.37 -4.91 121.76 125.91 1isk s ALA 64 Ca 0.21 -2.23 -0.08 0.00 0.00 0.00 0.00 51.96 49.85 1isk s ALA 64 Cb -0.14 -2.53 -0.06 0.00 0.00 0.00 0.00 23.12 20.38 1isk s ALA 64 CO 0.08 -1.67 0.42 0.08 0.00 0.00 0.00 175.76 174.67 1isk s VAL 65 N 1.33 5.09 -0.28 0.00 1.01 -1.26 -1.36 120.40 124.93 1isk s VAL 65 Ca 0.04 0.35 -0.23 0.00 0.00 0.00 0.00 61.98 62.13 1isk s VAL 65 Cb -0.23 -3.64 0.10 0.00 0.00 0.00 0.00 36.38 32.62 1isk s VAL 65 CO 0.00 0.17 0.89 -1.83 0.00 0.00 0.00 175.10 174.33 1isk s GLU 66 N -2.24 0.62 0.72 2.72 -1.05 -0.35 -4.70 118.70 114.41 1isk s GLU 66 Ca 0.37 0.80 -0.14 0.00 -0.15 0.00 0.00 54.97 55.86 1isk s GLU 66 Cb -0.13 0.26 0.03 0.00 -0.44 0.00 0.00 34.13 33.86 1isk s GLU 66 CO 0.20 -0.09 1.13 -0.51 0.95 0.00 0.00 175.26 176.95 1isk s LEU 67 N 0.57 3.25 0.00 1.83 1.43 -1.26 -0.37 118.68 124.14 1isk s LEU 67 Ca -0.01 2.05 0.00 0.00 -1.03 0.00 0.00 54.13 55.14 1isk s LEU 67 Cb -0.05 -4.55 0.00 0.00 0.03 0.00 0.00 46.19 41.62 1isk s LEU 67 CO -0.07 -1.96 0.00 1.07 0.23 0.00 0.00 176.35 175.62 1isk n THR 68 N -2.87 0.00 0.00 5.49 5.66 -1.21 -4.79 114.28 116.56 1isk n THR 68 Ca 0.11 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.11 1isk n THR 68 Cb 0.52 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 69.30 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 -3.66 1.09 3.00 -1.22 -4.96 117.38 111.62 1isk n GLN 69 Ca 0.00 0.00 -0.02 0.00 -0.01 0.00 0.00 57.00 56.97 1isk n GLN 69 Cb 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 30.24 30.23 1isk n GLN 69 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 177.06 175.23 1isk s GLU 70 N 0.00 0.75 -0.09 -1.09 -1.05 -1.26 -5.01 118.70 110.95 1isk s GLU 70 Ca 0.00 -0.39 -0.00 0.00 -0.15 0.00 0.00 54.97 54.42 1isk s GLU 70 Cb 0.00 0.27 0.02 0.00 -0.44 0.00 0.00 34.13 33.98 1isk s GLU 70 CO 0.00 -0.34 -0.06 0.08 0.95 0.00 0.00 175.26 175.89 1isk s VAL 71 N -2.84 0.84 -0.51 1.83 1.01 -1.26 -1.73 120.40 117.74 1isk s VAL 71 Ca 0.12 -0.20 -0.16 0.00 0.00 0.00 0.00 61.98 61.74 1isk s VAL 71 Cb 0.01 -0.88 0.09 0.00 0.00 0.00 0.00 36.38 35.61 1isk s VAL 71 CO -0.02 0.33 0.48 -0.13 0.00 0.00 0.00 175.10 175.75 1isk s ARG 72 N 1.57 3.00 -0.27 2.72 3.00 0.21 -4.87 118.95 124.32 1isk s ARG 72 Ca 0.01 -1.43 -0.10 0.00 0.00 0.00 0.00 55.73 54.21 1isk s ARG 72 Cb -0.13 -4.20 -0.04 0.00 0.00 0.00 0.00 34.95 30.58 1isk s ARG 72 CO -0.05 -1.19 0.15 0.00 0.00 0.00 0.00 175.30 174.20 1isk s ALA 73 N 1.80 3.42 -0.28 2.13 0.00 -1.26 0.33 121.76 127.90 1isk s ALA 73 Ca 0.05 -1.08 -0.35 0.00 0.00 0.00 0.00 51.96 50.58 1isk s ALA 73 Cb -0.26 -2.33 0.17 0.00 0.00 0.00 0.00 23.12 20.69 1isk s ALA 73 CO 0.06 -0.49 1.35 0.54 0.00 0.00 0.00 175.76 177.22 1isk s VAL 74 N 1.64 0.00 -1.17 0.00 0.11 0.59 -4.91 120.40 116.65 1isk s VAL 74 Ca 0.07 0.00 -0.08 0.00 -2.93 0.00 0.00 61.98 59.04 1isk s VAL 74 Cb -0.15 -1.00 -0.02 0.00 -1.53 0.00 0.00 36.38 33.67 1isk s VAL 74 CO 0.08 0.00 0.81 0.00 -3.33 0.00 0.00 175.10 172.66 1isk n ALA 75 N 0.17 -2.32 -2.46 1.54 0.00 -1.26 -0.57 120.51 115.61 1isk n ALA 75 Ca 0.03 -0.09 -0.01 0.00 0.00 0.00 0.00 53.44 53.36 1isk n ALA 75 Cb 0.57 -3.77 -0.00 0.00 0.00 0.00 0.00 19.45 16.25 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 -2.99 -0.97 -3.74 0.00 3.02 -1.26 -4.83 115.26 104.48 1isk n ASN 76 Ca -0.17 0.43 -0.19 0.00 -0.03 0.00 0.00 54.58 54.62 1isk n ASN 76 Cb 0.63 -0.97 -0.17 0.00 -0.61 0.00 0.00 39.78 38.67 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 -4.82 0.14 -0.16 3.52 2.02 0.26 -0.94 118.70 118.71 1isk s GLU 77 Ca 0.02 0.23 -0.05 0.00 0.02 0.00 0.00 54.97 55.19 1isk s GLU 77 Cb -0.01 -0.54 -0.03 0.00 0.10 0.00 0.00 34.13 33.64 1isk s GLU 77 CO 0.02 -0.25 0.00 0.00 0.02 0.00 0.00 175.26 175.06 1isk s ALA 78 N 1.69 3.18 0.31 5.21 0.00 -0.03 -0.30 121.76 131.81 1isk s ALA 78 Ca -0.01 -0.79 0.07 0.00 0.00 0.00 0.00 51.96 51.24 1isk s ALA 78 Cb -0.13 -1.70 -0.06 0.00 0.00 0.00 0.00 23.12 21.23 1isk s ALA 78 CO -0.03 0.22 -0.04 0.00 0.00 0.00 0.00 175.76 175.90 1isk s ALA 79 N 0.30 2.56 -0.23 0.00 0.00 0.15 -1.37 121.76 123.17 1isk s ALA 79 Ca -0.01 -2.00 -0.30 0.00 0.00 0.00 0.00 51.96 49.65 1isk s ALA 79 Cb -0.13 0.20 0.16 0.00 0.00 0.00 0.00 23.12 23.35 1isk s ALA 79 CO 0.02 -0.07 1.20 -0.59 0.00 0.00 0.00 175.76 176.32 1isk s PHE 80 N -2.93 -0.18 -0.25 0.00 -0.71 0.46 0.67 117.98 115.03 1isk s PHE 80 Ca 0.32 0.30 -0.07 0.00 -1.04 0.00 0.00 56.93 56.44 1isk s PHE 80 Cb 0.05 0.48 -0.02 0.00 -1.21 0.00 0.00 43.02 42.31 1isk s PHE 80 CO 0.14 -0.17 0.06 0.00 -1.34 0.00 0.00 175.22 173.90 1isk s ALA 81 N -1.12 3.10 0.33 1.99 0.00 -0.71 -0.32 121.76 125.03 1isk s ALA 81 Ca 0.04 -1.17 0.08 0.00 0.00 0.00 0.00 51.96 50.92 1isk s ALA 81 Cb -0.01 -2.03 -0.06 0.00 0.00 0.00 0.00 23.12 21.01 1isk s ALA 81 CO -0.04 -0.52 -0.06 -0.59 0.00 0.00 0.00 175.76 174.55 1isk s PHE 82 N 1.59 2.22 0.24 0.00 -0.71 -0.54 -3.32 117.98 117.46 1isk s PHE 82 Ca 0.06 -0.63 0.07 0.00 -1.04 0.00 0.00 56.93 55.39 1isk s PHE 82 Cb -0.15 -1.32 -0.04 0.00 -1.21 0.00 0.00 43.02 40.30 1isk s PHE 82 CO 0.03 0.41 0.19 0.95 -1.34 0.00 0.00 175.22 175.45 1isk s THR 83 N -2.82 4.43 -0.13 -4.49 -4.23 0.50 -1.92 115.64 106.98 1isk s THR 83 Ca 0.32 -1.39 -0.02 0.00 -1.18 0.00 0.00 61.69 59.42 1isk s THR 83 Cb 0.04 -3.38 0.04 0.00 1.34 0.00 0.00 72.50 70.54 1isk s THR 83 CO 0.15 -0.33 0.01 0.68 -0.54 0.00 0.00 174.62 174.59 1isk s VAL 84 N -2.10 0.49 -0.39 2.29 -7.23 0.15 -1.22 120.40 112.39 1isk s VAL 84 Ca 0.33 -0.22 -0.17 0.00 -1.81 0.00 0.00 61.98 60.11 1isk s VAL 84 Cb -0.08 -0.80 0.01 0.00 0.56 0.00 0.00 36.38 36.07 1isk s VAL 84 CO 0.25 0.05 0.46 -0.55 -0.31 0.00 0.00 175.10 175.00 1isk s SER 85 N 1.90 6.23 -0.03 4.85 0.15 -0.46 -1.07 113.70 125.27 1isk s SER 85 Ca 0.02 -0.40 -0.20 0.00 0.70 0.00 0.00 55.95 56.08 1isk s SER 85 Cb -0.14 -2.24 0.04 0.00 -1.71 0.00 0.00 66.02 61.97 1isk s SER 85 CO -0.07 -0.53 0.43 0.72 1.20 0.00 0.00 173.24 175.00 1isk s PHE 86 N 2.24 -0.35 -0.07 3.44 -0.71 -0.56 -1.23 117.98 120.74 1isk s PHE 86 Ca 0.15 0.58 0.04 0.00 -1.04 0.00 0.00 56.93 56.66 1isk s PHE 86 Cb -0.16 0.20 -0.01 0.00 -1.21 0.00 0.00 43.02 41.83 1isk s PHE 86 CO 0.14 -0.45 -0.20 -2.00 -1.34 0.00 0.00 175.22 171.37 1isk s GLU 87 N -1.20 2.74 0.45 1.99 2.12 -1.26 -0.56 118.70 122.98 1isk s GLU 87 Ca -0.12 -0.81 0.07 0.00 0.36 0.00 0.00 54.97 54.46 1isk s GLU 87 Cb -0.04 -2.32 -0.02 0.00 0.26 0.00 0.00 34.13 32.02 1isk s GLU 87 CO 0.06 0.39 0.26 0.71 -0.54 0.00 0.00 175.26 176.13 1isk s TYR 88 N -0.15 2.37 -0.58 5.30 1.51 -0.11 -4.96 117.35 120.73 1isk s TYR 88 Ca -0.03 -0.65 -0.27 0.00 -1.01 0.00 0.00 57.07 55.12 1isk s TYR 88 Cb -0.14 -1.97 -0.26 0.00 -0.11 0.00 0.00 41.96 39.48 1isk s TYR 88 CO 0.04 -0.02 1.83 1.04 -1.11 0.00 0.00 175.55 177.33 1isk n GLN 89 N -1.42 0.58 0.00 -0.62 1.13 -1.26 -1.19 117.38 114.61 1isk n GLN 89 Ca -0.01 -1.55 0.00 0.00 -1.94 0.00 0.00 57.00 53.49 1isk n GLN 89 Cb 0.64 -3.09 0.00 0.00 0.11 0.00 0.00 30.24 27.90 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 5.26 0.32 0.00 1.08 0.00 -1.26 -5.15 105.19 105.44 1isk n GLY 90 Ca 0.46 -0.01 0.00 0.00 0.00 0.00 0.00 46.02 46.47 1isk n GLY 90 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1isk n ARG 91 N 0.00 -3.79 -2.28 1.61 1.74 -0.33 -5.10 116.66 108.51 1isk n ARG 91 Ca 0.00 0.00 -0.31 0.00 -0.77 0.00 0.00 57.85 56.77 1isk n ARG 91 Cb 0.00 0.00 -0.01 0.00 -1.02 0.00 0.00 32.46 31.43 1isk n ARG 91 CO 0.00 0.00 0.00 0.21 -1.52 0.00 0.00 177.63 176.32 1isk s LYS 92 N -2.00 3.70 -0.14 5.56 2.20 0.14 -0.94 119.74 128.27 1isk s LYS 92 Ca 0.00 0.66 -0.24 0.00 -0.36 0.00 0.00 55.97 56.04 1isk s LYS 92 Cb 0.00 -2.19 0.06 0.00 -1.51 0.00 0.00 37.83 34.19 1isk s LYS 92 CO 0.00 -0.35 0.59 0.99 -0.36 0.00 0.00 175.35 176.22 1isk s THR 93 N -2.84 0.01 -0.18 3.43 2.01 0.27 0.23 115.64 118.57 1isk s THR 93 Ca 0.54 -0.07 -0.00 0.00 0.31 0.00 0.00 61.69 62.47 1isk s THR 93 Cb -0.10 -0.87 0.04 0.00 0.01 0.00 0.00 72.50 71.58 1isk s THR 93 CO 0.43 -0.04 -0.06 0.54 -0.69 0.00 0.00 174.62 174.80 1isk s VAL 94 N -0.43 1.25 0.43 3.82 0.11 -0.26 -1.50 120.40 123.83 1isk s VAL 94 Ca -0.06 -0.74 0.05 0.00 -2.93 0.00 0.00 61.98 58.30 1isk s VAL 94 Cb -0.03 -1.41 0.01 0.00 -1.53 0.00 0.00 36.38 33.42 1isk s VAL 94 CO 0.04 0.13 0.61 -0.69 -3.33 0.00 0.00 175.10 171.86 1isk s VAL 95 N 1.57 3.39 -0.38 2.04 1.01 -0.23 -0.52 120.40 127.28 1isk s VAL 95 Ca 0.00 -0.83 0.09 0.00 0.00 0.00 0.00 61.98 61.24 1isk s VAL 95 Cb -0.16 -3.20 0.28 0.00 0.00 0.00 0.00 36.38 33.31 1isk s VAL 95 CO -0.08 -0.10 0.59 0.00 0.00 0.00 0.00 175.10 175.52 1isk n ALA 96 N -1.95 2.30 -1.56 5.51 0.00 0.14 0.34 120.51 125.28 1isk n ALA 96 Ca 0.05 -3.41 -0.30 0.00 0.00 0.00 0.00 53.44 49.77 1isk n ALA 96 Cb 0.59 -0.85 0.08 0.00 0.00 0.00 0.00 19.45 19.27 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 -1.63 2.26 0.08 0.00 0.04 -0.81 -4.70 135.00 130.25 1isk s PRO 97 Ca 0.37 0.70 0.06 0.00 0.04 0.00 0.00 61.00 62.17 1isk s PRO 97 Cb 0.23 -1.93 -0.04 0.00 0.04 0.00 0.00 34.50 32.80 1isk s PRO 97 CO -0.10 -1.51 -0.08 0.42 0.04 0.00 0.00 177.00 175.77 1isk s ILE 98 N -3.14 3.49 0.00 0.56 1.01 -0.56 -1.46 121.20 121.11 1isk s ILE 98 Ca 0.60 -1.13 0.05 0.00 0.00 0.00 0.00 60.65 60.17 1isk s ILE 98 Cb -0.14 -2.61 -0.01 0.00 0.01 0.00 0.00 42.46 39.70 1isk s ILE 98 CO 0.54 0.17 -0.16 -1.81 0.00 0.00 0.00 174.94 173.69 1isk s ASP 99 N -2.04 1.87 -0.16 3.58 1.11 0.57 0.81 116.67 122.40 1isk s ASP 99 Ca 0.21 -0.34 -0.10 0.00 0.18 0.00 0.00 52.55 52.50 1isk s ASP 99 Cb -0.11 -0.19 0.05 0.00 1.07 0.00 0.00 42.92 43.74 1isk s ASP 99 CO 0.13 0.16 0.39 -1.00 1.18 0.00 0.00 175.17 176.03 1isk s HIS 100 N -0.49 -0.53 0.04 4.23 3.76 -0.49 -0.41 115.29 121.40 1isk s HIS 100 Ca 0.05 1.18 -0.01 0.00 -0.15 0.00 0.00 55.06 56.13 1isk s HIS 100 Cb -0.07 0.21 -0.03 0.00 1.11 0.00 0.00 32.58 33.80 1isk s HIS 100 CO -0.00 -0.29 -0.03 -0.59 -0.85 0.00 0.00 174.74 172.98 1isk s PHE 101 N 1.02 0.43 0.25 1.40 -0.12 -0.47 0.17 117.98 120.67 1isk s PHE 101 Ca -0.07 -0.89 0.08 0.00 -0.05 0.00 0.00 56.93 56.00 1isk s PHE 101 Cb -0.07 -0.32 -0.04 0.00 -0.63 0.00 0.00 43.02 41.96 1isk s PHE 101 CO -0.08 -0.32 0.12 0.50 -0.05 0.00 0.00 175.22 175.38 1isk s ARG 102 N -3.15 2.68 0.12 1.99 3.52 -0.22 -0.85 118.95 123.04 1isk s ARG 102 Ca -0.00 -1.18 0.08 0.00 -0.13 0.00 0.00 55.73 54.50 1isk s ARG 102 Cb 0.02 -2.41 -0.04 0.00 -1.56 0.00 0.00 34.95 30.96 1isk s ARG 102 CO -0.07 0.39 -0.19 -0.06 -0.81 0.00 0.00 175.30 174.56 1isk s PHE 103 N -2.18 1.73 0.52 5.12 0.40 -0.11 -3.30 117.98 120.16 1isk s PHE 103 Ca 0.32 -0.45 0.01 0.00 -0.60 0.00 0.00 56.93 56.22 1isk s PHE 103 Cb -0.07 -0.92 -0.00 0.00 0.51 0.00 0.00 43.02 42.53 1isk s PHE 103 CO 0.23 0.23 0.05 1.21 0.70 0.00 0.00 175.22 177.64 1isk s ASN 104 N -2.18 4.21 -0.03 1.36 3.84 0.14 -4.81 114.94 117.47 1isk s ASN 104 Ca 0.09 -1.62 -0.32 0.00 0.21 0.00 0.00 52.86 51.21 1isk s ASN 104 Cb -0.08 0.57 -0.16 0.00 -0.55 0.00 0.00 41.25 41.03 1isk s ASN 104 CO 0.05 -0.91 0.89 0.61 -2.79 0.00 0.00 177.10 174.94 1isk n GLY 105 N -1.35 -0.20 1.68 1.21 0.00 -1.26 0.61 105.19 105.89 1isk n GLY 105 Ca -0.18 0.62 0.00 0.00 0.00 0.00 0.00 46.02 46.46 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 1.35 0.00 -3.65 4.61 0.00 -1.26 -3.98 120.51 117.58 1isk n ALA 106 Ca 0.17 0.00 -0.27 0.00 0.00 0.00 0.00 53.44 53.33 1isk n ALA 106 Cb 0.06 -0.26 0.04 0.00 0.00 0.00 0.00 19.45 19.28 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 -2.84 -0.84 3.26 0.00 0.00 0.20 -4.97 105.19 99.99 1isk n GLY 107 Ca 0.00 0.40 -0.34 0.00 0.00 0.00 0.00 46.02 46.08 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 -5.83 3.24 -0.15 1.61 -0.14 -0.34 -4.81 119.74 113.32 1isk s LYS 108 Ca 0.36 -0.71 -0.29 0.00 -1.36 0.00 0.00 55.97 53.97 1isk s LYS 108 Cb -0.12 -2.77 -0.02 0.00 -1.68 0.00 0.00 37.83 33.25 1isk s LYS 108 CO 0.84 -0.11 1.24 0.08 -0.76 0.00 0.00 175.35 176.64 1isk s VAL 109 N 1.15 4.30 -0.13 3.17 1.01 -1.26 0.25 120.40 128.90 1isk s VAL 109 Ca 0.01 1.58 0.01 0.00 0.00 0.00 0.00 61.98 63.59 1isk s VAL 109 Cb -0.14 -4.02 0.00 0.00 0.00 0.00 0.00 36.38 32.22 1isk s VAL 109 CO -0.04 -0.12 0.34 0.52 0.00 0.00 0.00 175.10 175.80 1isk n VAL 110 N 5.24 0.00 -3.75 2.92 0.31 -1.21 0.07 118.33 121.91 1isk n VAL 110 Ca 0.13 -0.49 -0.13 0.00 -0.01 0.00 0.00 64.34 63.85 1isk n VAL 110 Cb 0.45 1.02 -0.11 0.00 -0.91 0.00 0.00 33.84 34.29 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 -0.54 -0.38 -0.01 4.52 0.01 -1.26 -0.45 113.70 115.60 1isk s SER 111 Ca 0.01 0.73 -0.21 0.00 1.31 0.00 0.00 55.95 57.79 1isk s SER 111 Cb 0.01 0.73 0.04 0.00 0.21 0.00 0.00 66.02 67.02 1isk s SER 111 CO 0.03 -0.13 0.47 0.00 0.41 0.00 0.00 173.24 174.02 1isk s MET 112 N 0.23 0.87 0.24 12.44 0.23 0.79 -1.05 119.30 133.06 1isk s MET 112 Ca -0.00 -0.07 -0.02 0.00 -1.03 0.00 0.00 55.69 54.57 1isk s MET 112 Cb -0.03 0.40 -0.03 0.00 -1.53 0.00 0.00 34.83 33.64 1isk s MET 112 CO 0.00 -0.27 0.25 -0.98 -2.03 0.00 0.00 175.02 171.99 1isk s ARG 113 N -1.54 1.43 -0.24 3.16 1.70 0.13 0.96 118.95 124.54 1isk s ARG 113 Ca -0.11 -1.65 -0.03 0.00 -0.47 0.00 0.00 55.73 53.48 1isk s ARG 113 Cb -0.02 0.33 0.11 0.00 -0.57 0.00 0.00 34.95 34.80 1isk s ARG 113 CO 0.05 -0.52 0.28 0.00 -1.08 0.00 0.00 175.30 174.03 1isk s ALA 114 N -3.90 -0.51 -0.97 7.88 0.00 0.16 -1.40 121.76 123.02 1isk s ALA 114 Ca 0.36 0.25 -0.23 0.00 0.00 0.00 0.00 51.96 52.34 1isk s ALA 114 Cb 0.04 -1.53 0.06 0.00 0.00 0.00 0.00 23.12 21.69 1isk s ALA 114 CO 0.15 -1.36 1.38 -0.51 0.00 0.00 0.00 175.76 175.43 1isk s LEU 115 N 2.38 3.68 -0.72 0.00 1.02 0.24 -3.98 118.68 121.31 1isk s LEU 115 Ca 0.09 -1.42 -0.05 0.00 0.02 0.00 0.00 54.13 52.76 1isk s LEU 115 Cb -0.15 -2.54 0.18 0.00 0.02 0.00 0.00 46.19 43.70 1isk s LEU 115 CO -0.19 -1.48 0.57 0.12 0.02 0.00 0.00 176.35 175.39 1isk s PHE 116 N 4.74 3.55 0.09 0.29 5.36 -1.26 -1.50 117.98 129.26 1isk s PHE 116 Ca 0.43 -2.59 -0.02 0.00 -0.96 0.00 0.00 56.93 53.79 1isk s PHE 116 Cb -0.02 -3.36 0.02 0.00 -0.34 0.00 0.00 43.02 39.33 1isk s PHE 116 CO -0.07 -0.86 0.11 0.41 -1.46 0.00 0.00 175.22 173.35 1isk n GLY 117 N 3.43 -1.38 2.28 13.12 0.00 -1.26 -4.92 105.19 116.45 1isk n GLY 117 Ca 0.11 -1.64 -0.27 0.00 0.00 0.00 0.00 46.02 44.22 1isk n GLY 117 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1isk n GLU 118 N -1.34 3.41 -0.25 1.61 4.71 -1.26 -4.48 120.64 123.04 1isk n GLU 118 Ca 0.01 -4.18 0.00 0.00 -0.01 0.00 0.00 57.16 52.99 1isk n GLU 118 Cb 0.05 -2.27 0.00 0.00 -1.01 0.00 0.00 31.44 28.21 1isk n GLU 118 CO 0.00 0.00 0.00 0.36 0.09 0.00 0.00 177.13 177.58 1isk n LYS 119 N -0.63 0.00 -2.50 3.49 2.85 -1.26 -4.83 118.16 115.28 1isk n LYS 119 Ca 0.44 -0.69 -0.11 0.00 -1.05 0.00 0.00 58.31 56.90 1isk n LYS 119 Cb 0.77 -0.46 0.04 0.00 -0.65 0.00 0.00 35.03 34.73 1isk n LYS 119 CO 0.00 0.00 0.00 0.09 -0.05 0.00 0.00 177.40 177.44 1isk n ASN 120 N 0.00 2.96 -4.32 -5.58 4.13 -1.26 -5.05 115.26 106.14 1isk n ASN 120 Ca 0.00 -2.78 -0.31 0.00 1.68 0.00 0.00 54.58 53.17 1isk n ASN 120 Cb 0.59 -0.43 -0.16 0.00 -1.54 0.00 0.00 39.78 38.25 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 -4.14 2.11 -0.31 2.41 1.01 -1.26 0.23 121.20 121.25 1isk s ILE 121 Ca 0.37 -1.10 -0.02 0.00 0.00 0.00 0.00 60.65 59.90 1isk s ILE 121 Cb 0.36 -1.73 0.10 0.00 0.01 0.00 0.00 42.46 41.20 1isk s ILE 121 CO -0.01 0.57 0.12 -1.00 0.00 0.00 0.00 174.94 174.62 1isk s HIS 122 N -0.63 1.26 1.33 3.97 3.76 0.32 -4.96 115.29 120.34 1isk s HIS 122 Ca 0.10 -1.51 -0.19 0.00 -0.15 0.00 0.00 55.06 53.31 1isk s HIS 122 Cb -0.10 -1.44 0.34 0.00 1.11 0.00 0.00 32.58 32.49 1isk s HIS 122 CO -0.01 -0.86 0.97 0.00 -0.85 0.00 0.00 174.74 173.99 1isk s ALA 123 N 1.66 -0.67 0.00 -1.40 0.00 -1.26 -1.10 121.76 118.99 1isk s ALA 123 Ca 0.10 -0.56 0.00 0.00 0.00 0.00 0.00 51.96 51.50 1isk s ALA 123 Cb -0.18 -3.06 0.00 0.00 0.00 0.00 0.00 23.12 19.89 1isk s ALA 123 CO -0.26 -4.33 0.00 0.41 0.00 0.00 0.00 175.76 171.58 1isk n GLY 124 N 1.13 0.39 0.00 0.00 0.00 0.13 -4.77 105.19 102.07 1isk n GLY 124 Ca 0.09 -1.05 0.01 0.00 0.00 0.00 0.00 46.02 45.07 1isk n GLY 124 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32