#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 -4.68 -4.61 7.83 6.94 -1.26 -4.95 115.26 114.53 1isk n ASN 2 Ca 0.00 -1.06 -0.26 0.00 -0.02 0.00 0.00 54.58 53.24 1isk n ASN 2 Cb 0.00 -1.75 -0.09 0.00 -2.36 0.00 0.00 39.78 35.58 1isk n ASN 2 CO 0.00 0.00 0.00 0.42 -1.03 0.00 0.00 177.26 176.65 1isk s THR 3 N -3.17 3.37 0.12 5.53 -4.23 -1.26 -4.95 115.64 111.05 1isk s THR 3 Ca 0.16 -1.64 -0.08 0.00 -1.18 0.00 0.00 61.69 58.96 1isk s THR 3 Cb -0.09 -2.70 -0.18 0.00 1.34 0.00 0.00 72.50 70.88 1isk s THR 3 CO 0.92 -0.15 1.30 1.55 -0.54 0.00 0.00 174.62 177.69 1isk h PRO 4 N 2.69 0.55 0.00 3.99 0.13 -1.92 -1.97 132.00 135.48 1isk h PRO 4 Ca -0.46 -0.54 -0.07 0.00 -0.87 0.00 0.00 66.00 64.06 1isk h PRO 4 Cb 1.21 0.14 -0.01 0.00 0.13 0.00 0.00 31.00 32.47 1isk h PRO 4 CO 0.56 1.17 -0.31 1.49 -0.23 0.00 0.00 178.00 180.68 1isk h GLU 5 N 0.33 0.00 0.07 0.86 4.22 -1.97 0.12 114.58 118.22 1isk h GLU 5 Ca -0.08 0.00 -0.00 0.00 0.08 0.00 0.00 59.36 59.36 1isk h GLU 5 Cb 1.54 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.79 1isk h GLU 5 CO 0.17 0.31 -0.03 1.25 -2.18 0.00 0.00 179.01 178.53 1isk h HIS 6 N 0.00 -0.08 -0.78 0.92 2.76 -1.96 -0.58 115.15 115.43 1isk h HIS 6 Ca -0.00 -0.00 0.14 0.00 -2.20 0.00 0.00 60.37 58.31 1isk h HIS 6 Cb 0.60 0.03 -0.10 0.00 1.55 0.00 0.00 27.41 29.50 1isk h HIS 6 CO 0.00 -0.05 0.34 0.00 -1.30 0.00 0.00 177.93 176.92 1isk h MET 7 N -0.46 0.47 -0.25 5.26 -0.00 -1.40 0.21 114.93 118.77 1isk h MET 7 Ca -0.01 -0.03 -0.04 0.00 -0.00 0.00 0.00 59.70 59.62 1isk h MET 7 Cb 0.07 -0.11 -0.01 0.00 -0.00 0.00 0.00 31.60 31.55 1isk h MET 7 CO 0.01 0.31 -0.02 1.15 -0.00 0.00 0.00 176.91 178.37 1isk h THR 8 N 0.49 1.26 -0.54 -0.10 2.02 -0.89 -1.50 112.91 113.66 1isk h THR 8 Ca 0.43 -0.95 0.07 0.00 0.77 0.00 0.00 66.41 66.73 1isk h THR 8 Cb 0.64 1.40 -0.03 0.00 -1.74 0.00 0.00 68.15 68.42 1isk h THR 8 CO -0.39 0.30 0.36 0.00 0.37 0.00 0.00 175.52 176.15 1isk h ALA 9 N 0.80 1.92 -0.04 6.16 0.00 0.29 -1.09 119.26 127.29 1isk h ALA 9 Ca 0.07 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.95 1isk h ALA 9 Cb 0.44 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 18.12 1isk h ALA 9 CO 0.02 -0.02 -0.02 0.28 0.00 0.00 0.00 179.25 179.51 1isk h VAL 10 N 0.46 1.33 -0.85 0.00 2.07 -0.27 -1.27 116.25 117.71 1isk h VAL 10 Ca 0.24 -1.03 0.16 0.00 0.82 0.00 0.00 66.70 66.89 1isk h VAL 10 Cb 0.35 1.94 -0.10 0.00 -1.52 0.00 0.00 31.29 31.96 1isk h VAL 10 CO -0.06 0.28 0.42 0.58 0.02 0.00 0.00 177.57 178.80 1isk h VAL 11 N -0.31 0.69 -0.07 2.57 2.07 -0.21 0.48 116.25 121.47 1isk h VAL 11 Ca 0.01 -0.20 -0.01 0.00 0.82 0.00 0.00 66.70 67.33 1isk h VAL 11 Cb 0.46 0.06 -0.00 0.00 -1.52 0.00 0.00 31.29 30.28 1isk h VAL 11 CO 0.01 0.11 0.02 -0.61 0.02 0.00 0.00 177.57 177.11 1isk h GLN 12 N 0.58 0.11 -0.58 1.57 -0.00 -1.10 -1.21 115.11 114.47 1isk h GLN 12 Ca 0.47 -0.02 0.02 0.00 -0.00 0.00 0.00 58.65 59.12 1isk h GLN 12 Cb 0.71 -0.02 -0.03 0.00 0.00 0.00 0.00 27.48 28.15 1isk h GLN 12 CO -0.39 0.27 0.38 -0.09 0.00 0.00 0.00 178.83 179.01 1isk h ARG 13 N -0.07 0.69 -0.04 1.69 9.65 0.14 -1.37 114.38 125.06 1isk h ARG 13 Ca 0.02 -0.04 -0.00 0.00 -1.10 0.00 0.00 59.98 58.86 1isk h ARG 13 Cb 0.21 -0.16 -0.00 0.00 -1.39 0.00 0.00 29.97 28.63 1isk h ARG 13 CO -0.00 0.46 0.01 -0.92 2.80 0.00 0.00 179.97 182.31 1isk h TYR 14 N 0.71 0.07 -0.42 2.20 5.03 0.23 0.13 116.97 124.92 1isk h TYR 14 Ca 0.23 -0.01 0.06 0.00 2.58 0.00 0.00 58.73 61.58 1isk h TYR 14 Cb 0.03 -0.02 -0.05 0.00 1.55 0.00 0.00 36.73 38.24 1isk h TYR 14 CO -0.00 0.31 0.14 0.28 -1.32 0.00 0.00 178.16 177.56 1isk h VAL 15 N -0.19 0.85 0.44 1.81 2.07 -0.70 0.30 116.25 120.83 1isk h VAL 15 Ca 0.01 -0.10 -0.02 0.00 0.82 0.00 0.00 66.70 67.41 1isk h VAL 15 Cb 0.28 0.53 0.00 0.00 -1.52 0.00 0.00 31.29 30.58 1isk h VAL 15 CO 0.00 0.05 -0.21 0.00 0.02 0.00 0.00 177.57 177.43 1isk h ALA 16 N 1.29 -0.59 -0.88 1.67 0.00 -1.16 -1.12 119.26 118.46 1isk h ALA 16 Ca 0.20 -0.13 0.18 0.00 0.00 0.00 0.00 54.91 55.16 1isk h ALA 16 Cb 0.20 0.23 -0.11 0.00 0.00 0.00 0.00 17.79 18.11 1isk h ALA 16 CO -0.22 -0.83 0.42 0.00 0.00 0.00 0.00 179.25 178.63 1isk h ALA 17 N -0.04 1.37 0.16 0.00 0.00 -0.22 0.30 119.26 120.83 1isk h ALA 17 Ca -0.06 0.12 0.01 0.00 0.00 0.00 0.00 54.91 54.98 1isk h ALA 17 Cb 0.46 0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.29 1isk h ALA 17 CO 0.10 -0.21 -0.21 1.25 0.00 0.00 0.00 179.25 180.18 1isk h LEU 18 N 0.52 -0.58 -2.61 0.00 5.85 0.14 0.93 115.31 119.57 1isk h LEU 18 Ca 0.51 0.06 -0.00 0.00 0.84 0.00 0.00 57.88 59.29 1isk h LEU 18 Cb 0.86 0.21 -0.00 0.00 0.37 0.00 0.00 40.66 42.10 1isk h LEU 18 CO -0.44 -0.31 -0.01 -1.13 -0.34 0.00 0.00 178.44 176.21 1isk h ASN 19 N -0.43 0.00 1.04 1.25 -0.73 0.31 0.39 115.58 117.41 1isk h ASN 19 Ca 0.01 0.00 0.00 0.00 1.87 0.00 0.00 56.30 58.18 1isk h ASN 19 Cb 0.42 0.00 0.00 0.00 0.27 0.00 0.00 38.32 39.01 1isk h ASN 19 CO -0.09 0.01 -0.68 0.00 -0.37 0.00 0.00 177.43 176.31 1isk h ALA 20 N 1.99 0.60 -1.99 1.57 0.00 0.20 -3.47 119.26 118.15 1isk h ALA 20 Ca -0.00 0.00 -0.03 0.00 0.00 0.00 0.00 54.91 54.88 1isk h ALA 20 Cb 0.06 0.00 0.01 0.00 0.00 0.00 0.00 17.79 17.87 1isk h ALA 20 CO 0.00 0.00 -0.07 0.41 0.00 0.00 0.00 179.25 179.59 1isk n GLY 21 N 1.26 0.54 3.00 0.00 0.00 0.30 -4.98 105.19 105.32 1isk n GLY 21 Ca 0.02 -0.49 -0.43 0.00 0.00 0.00 0.00 46.02 45.12 1isk n GLY 21 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1isk n ASP 22 N -0.30 5.93 -0.37 1.61 4.64 0.23 -4.78 116.55 123.51 1isk n ASP 22 Ca -0.02 -3.28 0.06 0.00 -1.38 0.00 0.00 54.79 50.17 1isk n ASP 22 Cb 0.51 -1.35 0.22 0.00 -1.04 0.00 0.00 41.12 39.46 1isk n ASP 22 CO 0.00 0.00 0.00 -0.07 -0.82 0.00 0.00 177.20 176.31 1isk h LEU 23 N 6.40 0.97 0.00 -2.67 3.38 -1.93 0.40 115.31 121.86 1isk h LEU 23 Ca 0.26 0.04 0.00 0.00 0.09 0.00 0.00 57.88 58.27 1isk h LEU 23 Cb 0.64 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 41.23 1isk h LEU 23 CO 1.40 0.55 0.00 -0.67 0.09 0.00 0.00 178.44 179.81 1isk n ASP 24 N -4.58 0.00 -0.42 -0.43 4.64 -1.26 -1.12 116.55 113.37 1isk n ASP 24 Ca 0.18 0.65 0.39 0.00 -1.38 0.00 0.00 54.79 54.64 1isk n ASP 24 Cb 0.30 -0.46 0.66 0.00 -1.04 0.00 0.00 41.12 40.58 1isk n ASP 24 CO 0.00 0.00 0.00 1.23 -0.82 0.00 0.00 177.20 177.61 1isk h GLY 25 N 0.00 0.00 0.28 0.27 0.00 -1.94 1.43 103.07 103.12 1isk h GLY 25 Ca 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 47.33 47.28 1isk h GLY 25 CO 0.00 0.00 -0.23 -2.22 0.00 0.00 0.00 176.54 174.09 1isk h ILE 26 N 0.00 1.65 0.00 2.60 2.04 -0.20 0.44 117.51 124.04 1isk h ILE 26 Ca 0.67 -2.22 0.00 0.00 1.00 0.00 0.00 64.86 64.31 1isk h ILE 26 Cb 3.10 3.13 0.00 0.00 -0.74 0.00 0.00 36.82 42.31 1isk h ILE 26 CO -0.01 0.60 0.00 0.52 0.00 0.00 0.00 178.15 179.26 1isk n VAL 27 N -4.50 1.19 -0.05 1.67 0.31 0.44 -1.59 118.33 115.81 1isk n VAL 27 Ca -0.11 0.30 -0.02 0.00 -0.01 0.00 0.00 64.34 64.50 1isk n VAL 27 Cb 0.54 -1.10 -0.12 0.00 -0.91 0.00 0.00 33.84 32.26 1isk n VAL 27 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1isk n ALA 28 N -1.50 1.97 -0.33 3.52 0.00 0.14 -4.40 120.51 119.90 1isk n ALA 28 Ca 0.03 -0.78 0.21 0.00 0.00 0.00 0.00 53.44 52.90 1isk n ALA 28 Cb 0.14 -0.24 0.46 0.00 0.00 0.00 0.00 19.45 19.80 1isk n ALA 28 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 1isk h LEU 29 N 0.00 0.54 0.00 0.00 3.38 0.90 -3.42 115.31 116.72 1isk h LEU 29 Ca -0.26 0.10 -0.38 0.00 0.09 0.00 0.00 57.88 57.43 1isk h LEU 29 Cb 1.51 0.02 -0.06 0.00 0.09 0.00 0.00 40.66 42.22 1isk h LEU 29 CO 0.01 0.10 -0.24 2.22 0.09 0.00 0.00 178.44 180.62 1isk n PHE 30 N -4.73 0.03 -0.88 1.13 1.16 -1.23 -4.82 117.46 108.12 1isk n PHE 30 Ca 0.26 -1.48 -0.36 0.00 -1.87 0.00 0.00 57.45 54.00 1isk n PHE 30 Cb 0.82 -0.23 0.09 0.00 -1.61 0.00 0.00 39.48 38.55 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 -2.13 -5.03 0.30 1.98 0.00 0.12 -4.88 120.51 110.86 1isk n ALA 31 Ca -0.12 -1.23 0.12 0.00 0.00 0.00 0.00 53.44 52.20 1isk n ALA 31 Cb 0.39 -1.14 0.03 0.00 0.00 0.00 0.00 19.45 18.73 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 1.44 0.71 -0.64 0.00 8.00 -1.26 -3.94 116.55 120.86 1isk n ASP 32 Ca -0.01 0.15 0.06 0.00 0.71 0.00 0.00 54.79 55.70 1isk n ASP 32 Cb 0.68 0.56 0.14 0.00 -0.02 0.00 0.00 41.12 42.48 1isk n ASP 32 CO 0.00 0.00 0.00 0.47 -0.39 0.00 0.00 177.20 177.28 1isk n ASP 33 N -2.37 1.57 -4.53 -2.24 10.43 -1.26 -1.03 116.55 117.13 1isk n ASP 33 Ca 0.01 -3.20 -0.29 0.00 2.57 0.00 0.00 54.79 53.88 1isk n ASP 33 Cb 0.50 -0.44 0.23 0.00 1.84 0.00 0.00 41.12 43.26 1isk n ASP 33 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 177.20 176.13 1isk s ALA 34 N -2.26 -0.02 -0.13 2.24 0.00 -1.25 -3.95 121.76 116.37 1isk s ALA 34 Ca 0.33 0.12 0.03 0.00 0.00 0.00 0.00 51.96 52.43 1isk s ALA 34 Cb 0.32 -3.33 0.01 0.00 0.00 0.00 0.00 23.12 20.12 1isk s ALA 34 CO -0.06 -3.63 -0.22 0.95 0.00 0.00 0.00 175.76 172.80 1isk s THR 35 N -2.47 2.12 -0.10 0.00 -4.23 0.98 -1.35 115.64 110.59 1isk s THR 35 Ca 0.68 -0.97 -0.04 0.00 -1.18 0.00 0.00 61.69 60.19 1isk s THR 35 Cb -0.25 -1.84 -0.04 0.00 1.34 0.00 0.00 72.50 71.71 1isk s THR 35 CO 0.63 0.55 0.05 -0.69 -0.54 0.00 0.00 174.62 174.62 1isk s VAL 36 N 0.74 4.75 -0.41 2.29 1.01 0.11 -1.27 120.40 127.62 1isk s VAL 36 Ca -0.09 -0.08 0.11 0.00 0.00 0.00 0.00 61.98 61.92 1isk s VAL 36 Cb -0.16 -3.03 0.39 0.00 0.00 0.00 0.00 36.38 33.58 1isk s VAL 36 CO -0.00 0.60 0.90 1.21 0.00 0.00 0.00 175.10 177.81 1isk n GLU 37 N 2.15 1.84 -4.68 2.72 0.00 0.14 -0.13 120.64 122.69 1isk n GLU 37 Ca -0.19 -3.81 -0.25 0.00 0.00 0.00 0.00 57.16 52.91 1isk n GLU 37 Cb 0.54 -1.76 -0.14 0.00 0.00 0.00 0.00 31.44 30.08 1isk n GLU 37 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 177.13 177.29 1isk s ASP 38 N -3.01 2.38 -0.02 4.31 -4.77 -1.26 -1.44 116.67 112.86 1isk s ASP 38 Ca 0.39 -0.49 -0.02 0.00 -3.30 0.00 0.00 52.55 49.13 1isk s ASP 38 Cb 0.38 -0.21 -0.01 0.00 -1.09 0.00 0.00 42.92 41.99 1isk s ASP 38 CO -0.07 0.17 0.29 1.55 0.70 0.00 0.00 175.17 177.80 1isk h PRO 39 N 5.02 -0.09 -3.29 2.11 0.13 -1.98 -3.48 132.00 130.43 1isk h PRO 39 Ca -0.41 0.01 -0.08 0.00 -0.87 0.00 0.00 66.00 64.64 1isk h PRO 39 Cb 1.16 0.02 -0.02 0.00 0.13 0.00 0.00 31.00 32.29 1isk h PRO 39 CO 0.45 -0.06 0.15 0.08 -0.23 0.00 0.00 178.00 178.39 1isk s VAL 40 N -1.80 0.00 0.00 1.56 1.01 -1.26 -3.38 120.40 116.53 1isk s VAL 40 Ca -0.01 -1.15 0.00 0.00 0.00 0.00 0.00 61.98 60.81 1isk s VAL 40 Cb 0.00 -2.79 0.00 0.00 0.00 0.00 0.00 36.38 33.59 1isk s VAL 40 CO 0.04 0.00 0.00 0.61 0.00 0.00 0.00 175.10 175.75 1isk n GLY 41 N -0.54 1.47 2.51 4.51 0.00 -1.26 -5.02 105.19 106.85 1isk n GLY 41 Ca -0.06 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.10 1isk n GLY 41 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1isk n SER 42 N 0.00 -6.97 -2.51 1.61 3.41 -1.26 -4.98 113.62 102.92 1isk n SER 42 Ca 0.00 1.06 -0.06 0.00 -0.26 0.00 0.00 58.87 59.61 1isk n SER 42 Cb 0.00 -2.98 0.03 0.00 -0.26 0.00 0.00 64.21 61.00 1isk n SER 42 CO 0.00 0.00 0.00 1.21 -0.16 0.00 0.00 175.04 176.09 1isk n GLU 43 N -3.37 -1.18 -2.29 4.33 2.13 -1.26 -5.00 120.64 114.00 1isk n GLU 43 Ca 0.01 0.68 -0.33 0.00 0.66 0.00 0.00 57.16 58.17 1isk n GLU 43 Cb 0.45 -4.07 -0.01 0.00 0.27 0.00 0.00 31.44 28.08 1isk n GLU 43 CO 0.00 0.00 0.00 -1.25 -0.41 0.00 0.00 177.13 175.47 1isk s PRO 44 N -3.59 3.58 0.36 5.31 0.04 -1.26 -5.00 135.00 134.43 1isk s PRO 44 Ca 0.20 1.25 0.07 0.00 0.04 0.00 0.00 61.00 62.56 1isk s PRO 44 Cb -0.03 -2.07 -0.01 0.00 0.04 0.00 0.00 34.50 32.44 1isk s PRO 44 CO 0.44 -0.61 0.46 1.03 0.04 0.00 0.00 177.00 178.37 1isk s ARG 45 N -3.72 2.96 -0.12 4.56 0.52 0.82 -4.91 118.95 119.06 1isk s ARG 45 Ca 0.65 -1.14 -0.16 0.00 -0.52 0.00 0.00 55.73 54.56 1isk s ARG 45 Cb -0.16 -2.73 0.04 0.00 0.52 0.00 0.00 34.95 32.62 1isk s ARG 45 CO 0.29 -0.03 0.41 -1.54 0.02 0.00 0.00 175.30 174.46 1isk s SER 46 N -4.19 -0.39 0.00 0.23 1.04 -1.26 0.05 113.70 109.17 1isk s SER 46 Ca 0.47 0.66 0.00 0.00 0.48 0.00 0.00 55.95 57.56 1isk s SER 46 Cb -0.09 0.71 0.00 0.00 0.10 0.00 0.00 66.02 66.75 1isk s SER 46 CO 0.31 -0.24 0.00 0.61 0.98 0.00 0.00 173.24 174.89 1isk n GLY 47 N 2.36 2.56 0.47 7.32 0.00 -0.46 -4.51 105.19 112.93 1isk n GLY 47 Ca -0.15 -1.31 0.25 0.00 0.00 0.00 0.00 46.02 44.81 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 0.18 0.41 2.61 1.35 -1.35 0.80 112.91 116.91 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 0.33 0.00 0.00 -1.73 0.00 0.00 68.15 66.75 1isk h THR 48 CO 0.00 0.00 -0.20 0.00 -0.25 0.00 0.00 175.52 175.07 1isk h ALA 49 N 1.03 -1.00 -0.45 6.62 0.00 -1.87 0.40 119.26 123.99 1isk h ALA 49 Ca 0.36 -0.12 0.05 0.00 0.00 0.00 0.00 54.91 55.20 1isk h ALA 49 Cb 2.04 0.21 -0.04 0.00 0.00 0.00 0.00 17.79 20.00 1isk h ALA 49 CO -0.00 -0.96 0.21 0.00 0.00 0.00 0.00 179.25 178.49 1isk h ALA 50 N -1.67 0.57 -0.93 0.00 0.00 -1.22 0.31 119.26 116.32 1isk h ALA 50 Ca -0.06 0.03 0.12 0.00 0.00 0.00 0.00 54.91 55.01 1isk h ALA 50 Cb 0.42 -0.03 -0.07 0.00 0.00 0.00 0.00 17.79 18.11 1isk h ALA 50 CO 0.09 -0.16 0.59 0.82 0.00 0.00 0.00 179.25 180.59 1isk h ILE 51 N 0.41 0.90 0.18 0.00 2.04 -0.94 0.26 117.51 120.36 1isk h ILE 51 Ca 0.20 -0.29 -0.01 0.00 1.00 0.00 0.00 64.86 65.77 1isk h ILE 51 Cb 0.14 -0.02 0.00 0.00 -0.74 0.00 0.00 36.82 36.21 1isk h ILE 51 CO -0.17 0.15 -0.08 0.03 0.00 0.00 0.00 178.15 178.08 1isk h ARG 52 N 0.84 -0.23 -1.07 2.37 3.08 0.16 -1.45 114.38 118.09 1isk h ARG 52 Ca 0.45 0.02 0.37 0.00 0.07 0.00 0.00 59.98 60.89 1isk h ARG 52 Cb 0.56 0.05 -0.15 0.00 0.08 0.00 0.00 29.97 30.51 1isk h ARG 52 CO -0.22 -0.15 0.62 1.49 -1.07 0.00 0.00 179.97 180.65 1isk h GLU 53 N -0.45 0.19 0.43 0.04 4.57 -0.28 0.51 114.58 119.59 1isk h GLU 53 Ca -0.02 -0.01 -0.02 0.00 -1.18 0.00 0.00 59.36 58.12 1isk h GLU 53 Cb 0.18 -0.04 0.00 0.00 -0.16 0.00 0.00 28.75 28.73 1isk h GLU 53 CO 0.04 0.13 -0.21 0.35 -1.18 0.00 0.00 179.01 178.14 1isk h PHE 54 N 0.20 -0.54 0.00 0.92 3.04 -0.52 -1.41 116.94 118.63 1isk h PHE 54 Ca 0.78 -0.01 0.00 0.00 3.98 0.00 0.00 57.97 62.71 1isk h PHE 54 Cb 2.00 0.18 0.00 0.00 2.56 0.00 0.00 35.95 40.69 1isk h PHE 54 CO -0.01 -0.34 0.17 1.88 -2.02 0.00 0.00 178.31 177.99 1isk h TYR 55 N -0.76 0.00 0.05 0.41 0.05 0.02 0.31 116.97 117.04 1isk h TYR 55 Ca -0.06 0.00 -0.00 0.00 0.05 0.00 0.00 58.73 58.72 1isk h TYR 55 Cb 0.45 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.19 1isk h TYR 55 CO 0.06 0.00 -0.02 0.00 -1.05 0.00 0.00 178.16 177.15 1isk h ALA 56 N 1.60 -0.15 0.00 3.88 0.00 0.15 -1.15 119.26 123.59 1isk h ALA 56 Ca 0.00 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.90 1isk h ALA 56 Cb 0.34 0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.15 1isk h ALA 56 CO 0.00 -0.14 -0.00 -2.95 0.00 0.00 0.00 179.25 176.16 1isk h ASN 57 N -0.37 0.00 0.09 0.00 -1.07 -0.77 0.15 115.58 113.61 1isk h ASN 57 Ca -0.01 0.00 -0.00 0.00 0.07 0.00 0.00 56.30 56.36 1isk h ASN 57 Cb 0.05 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 36.30 1isk h ASN 57 CO 0.01 0.00 -0.04 -1.28 0.07 0.00 0.00 177.43 176.19 1isk h SER 58 N 0.00 -0.10 -0.00 6.14 0.87 -0.48 -3.26 113.55 116.72 1isk h SER 58 Ca -0.00 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.56 1isk h SER 58 Cb 0.01 0.03 -0.00 0.00 -0.44 0.00 0.00 62.40 62.00 1isk h SER 58 CO 0.00 0.08 0.13 -0.07 -0.53 0.00 0.00 176.83 176.44 1isk h LEU 59 N -0.43 0.00 -1.61 2.23 4.07 -0.96 -1.49 115.31 117.12 1isk h LEU 59 Ca -0.01 0.00 0.34 0.00 0.08 0.00 0.00 57.88 58.28 1isk h LEU 59 Cb 0.09 0.00 -0.05 0.00 1.08 0.00 0.00 40.66 41.79 1isk h LEU 59 CO 0.02 0.00 1.06 0.50 -1.08 0.00 0.00 178.44 178.94 1isk h LYS 60 N 0.00 0.00 -6.76 1.13 1.63 -0.74 -3.38 116.57 108.45 1isk h LYS 60 Ca 0.00 0.00 -0.50 0.00 -0.85 0.00 0.00 60.65 59.30 1isk h LYS 60 Cb 0.26 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 31.89 1isk h LYS 60 CO -0.00 0.00 0.42 -1.17 -3.45 0.00 0.00 179.45 175.25 1isk s LEU 61 N -7.30 4.58 -1.16 5.20 2.96 -0.56 -4.91 118.68 117.48 1isk s LEU 61 Ca -0.04 2.11 -0.12 0.00 -0.22 0.00 0.00 54.13 55.86 1isk s LEU 61 Cb 0.19 -3.62 -0.07 0.00 0.50 0.00 0.00 46.19 43.19 1isk s LEU 61 CO 0.64 -0.04 2.30 -0.81 -1.32 0.00 0.00 176.35 177.12 1isk n PRO 62 N 1.51 2.50 -3.72 0.98 -0.04 -1.26 -4.83 135.00 130.13 1isk n PRO 62 Ca -0.01 -1.96 -0.23 0.00 -0.04 0.00 0.00 63.50 61.26 1isk n PRO 62 Cb 0.46 -2.82 -0.03 0.00 -0.04 0.00 0.00 33.50 31.07 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 5.21 0.00 -3.34 1.53 -0.00 -1.26 -4.53 117.00 114.61 1isk n LEU 63 Ca 0.55 -2.30 -0.11 0.00 -0.00 0.00 0.00 56.01 54.15 1isk n LEU 63 Cb 0.27 0.15 -0.07 0.00 -0.00 0.00 0.00 43.42 43.77 1isk n LEU 63 CO 0.86 -0.40 -0.08 0.00 -0.00 0.00 0.00 177.39 177.76 1isk s ALA 64 N -2.63 -1.02 0.12 1.47 0.00 0.15 -4.95 121.76 114.89 1isk s ALA 64 Ca 0.09 0.39 -0.25 0.00 0.00 0.00 0.00 51.96 52.19 1isk s ALA 64 Cb -0.01 -1.86 -0.07 0.00 0.00 0.00 0.00 23.12 21.18 1isk s ALA 64 CO 0.06 -1.55 0.78 0.08 0.00 0.00 0.00 175.76 175.13 1isk s VAL 65 N 2.51 4.51 -0.04 0.00 1.01 -1.26 -1.45 120.40 125.68 1isk s VAL 65 Ca 0.11 1.69 -0.25 0.00 0.00 0.00 0.00 61.98 63.54 1isk s VAL 65 Cb -0.14 -4.14 0.05 0.00 0.00 0.00 0.00 36.38 32.15 1isk s VAL 65 CO -0.25 0.45 0.54 -0.70 0.00 0.00 0.00 175.10 175.14 1isk s GLU 66 N -0.67 0.90 0.75 2.72 2.12 -0.56 -4.03 118.70 119.93 1isk s GLU 66 Ca 0.37 0.11 -0.09 0.00 0.36 0.00 0.00 54.97 55.73 1isk s GLU 66 Cb -0.22 0.42 0.08 0.00 0.26 0.00 0.00 34.13 34.66 1isk s GLU 66 CO 0.25 -0.27 1.08 -0.51 -0.54 0.00 0.00 175.26 175.28 1isk s LEU 67 N -1.19 2.72 0.00 2.70 1.43 -1.26 -0.90 118.68 122.17 1isk s LEU 67 Ca -0.12 0.52 0.00 0.00 -1.03 0.00 0.00 54.13 53.51 1isk s LEU 67 Cb -0.02 -3.09 0.00 0.00 0.03 0.00 0.00 46.19 43.11 1isk s LEU 67 CO 0.08 -1.76 0.00 1.07 0.23 0.00 0.00 176.35 175.96 1isk n THR 68 N -3.09 0.00 0.00 5.49 5.66 -1.26 -4.81 114.28 116.27 1isk n THR 68 Ca 0.09 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.09 1isk n THR 68 Cb 0.61 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 69.39 1isk n THR 68 CO 0.00 0.00 0.00 1.67 -3.05 0.00 0.00 175.07 173.69 1isk n GLN 69 N 0.00 0.00 -3.83 1.09 0.00 -1.25 -5.08 117.38 108.31 1isk n GLN 69 Ca 0.00 0.19 0.00 0.00 -0.00 0.00 0.00 57.00 57.19 1isk n GLN 69 Cb 0.00 -0.95 0.00 0.00 0.00 0.00 0.00 30.24 29.29 1isk n GLN 69 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.06 177.45 1isk n GLU 70 N -1.07 -3.13 -4.17 3.69 1.02 -1.22 -5.04 120.64 110.72 1isk n GLU 70 Ca 0.00 0.00 -0.16 0.00 -0.02 0.00 0.00 57.16 56.98 1isk n GLU 70 Cb 0.00 0.00 -0.13 0.00 -0.02 0.00 0.00 31.44 31.29 1isk n GLU 70 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 1isk s VAL 71 N -2.35 0.73 -0.55 2.62 1.01 -1.26 -1.64 120.40 118.95 1isk s VAL 71 Ca 0.00 -0.91 0.04 0.00 0.00 0.00 0.00 61.98 61.11 1isk s VAL 71 Cb 0.00 -0.71 0.14 0.00 0.00 0.00 0.00 36.38 35.81 1isk s VAL 71 CO 0.00 -0.16 0.31 -0.60 0.00 0.00 0.00 175.10 174.65 1isk s ARG 72 N -1.18 2.00 -0.08 2.72 3.52 0.10 -4.90 118.95 121.14 1isk s ARG 72 Ca -0.04 -2.71 -0.23 0.00 -0.13 0.00 0.00 55.73 52.62 1isk s ARG 72 Cb -0.08 -3.23 -0.04 0.00 -1.56 0.00 0.00 34.95 30.05 1isk s ARG 72 CO 0.01 -1.15 0.71 0.00 -0.81 0.00 0.00 175.30 174.05 1isk s ALA 73 N -0.47 3.35 0.00 6.12 0.00 -1.26 0.01 121.76 129.51 1isk s ALA 73 Ca 0.19 0.12 0.00 0.00 0.00 0.00 0.00 51.96 52.27 1isk s ALA 73 Cb -0.21 -2.97 0.00 0.00 0.00 0.00 0.00 23.12 19.94 1isk s ALA 73 CO -0.04 -0.14 0.00 1.55 0.00 0.00 0.00 175.76 177.13 1isk n VAL 74 N 3.85 0.00 -1.50 0.00 3.14 0.15 -4.95 118.33 119.02 1isk n VAL 74 Ca -0.01 0.00 -0.30 0.00 -2.96 0.00 0.00 64.34 61.07 1isk n VAL 74 Cb 0.51 0.00 -0.19 0.00 -1.06 0.00 0.00 33.84 33.10 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 0.76 -2.50 1.55 0.00 -1.26 -0.18 120.51 115.87 1isk n ALA 75 Ca 0.00 -0.60 -0.05 0.00 0.00 0.00 0.00 53.44 52.78 1isk n ALA 75 Cb 0.00 -2.37 -0.01 0.00 0.00 0.00 0.00 19.45 17.07 1isk n ALA 75 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 1isk n ASN 76 N 8.03 -0.97 -4.40 0.00 5.15 -1.26 -4.83 115.26 116.99 1isk n ASN 76 Ca 0.66 0.21 -0.21 0.00 -0.60 0.00 0.00 54.58 54.64 1isk n ASN 76 Cb 0.10 -0.94 -0.10 0.00 -0.53 0.00 0.00 39.78 38.32 1isk n ASN 76 CO 0.00 0.00 0.00 -0.70 1.40 0.00 0.00 177.26 177.96 1isk s GLU 77 N -4.61 1.48 -0.39 1.20 2.12 0.74 -1.02 118.70 118.21 1isk s GLU 77 Ca 0.11 -1.67 0.04 0.00 0.36 0.00 0.00 54.97 53.80 1isk s GLU 77 Cb -0.06 -1.39 0.16 0.00 0.26 0.00 0.00 34.13 33.10 1isk s GLU 77 CO 0.13 0.24 0.41 0.00 -0.54 0.00 0.00 175.26 175.50 1isk s ALA 78 N -2.78 -0.32 -0.53 6.30 0.00 0.14 0.29 121.76 124.87 1isk s ALA 78 Ca 0.26 -1.17 -0.16 0.00 0.00 0.00 0.00 51.96 50.88 1isk s ALA 78 Cb -0.02 -2.06 0.11 0.00 0.00 0.00 0.00 23.12 21.15 1isk s ALA 78 CO 0.10 -2.14 0.49 0.00 0.00 0.00 0.00 175.76 174.22 1isk s ALA 79 N 1.13 3.60 0.53 0.00 0.00 0.10 -0.34 121.76 126.79 1isk s ALA 79 Ca 0.21 -2.39 0.00 0.00 0.00 0.00 0.00 51.96 49.78 1isk s ALA 79 Cb -0.11 -3.24 -0.00 0.00 0.00 0.00 0.00 23.12 19.77 1isk s ALA 79 CO -0.05 -1.97 0.00 -0.59 0.00 0.00 0.00 175.76 173.14 1isk s PHE 80 N 1.72 1.75 -0.04 0.00 -0.71 0.57 0.01 117.98 121.27 1isk s PHE 80 Ca 0.04 -1.01 -0.03 0.00 -1.04 0.00 0.00 56.93 54.89 1isk s PHE 80 Cb -0.28 -1.58 0.02 0.00 -1.21 0.00 0.00 43.02 39.96 1isk s PHE 80 CO 0.04 0.19 0.11 0.00 -1.34 0.00 0.00 175.22 174.22 1isk s ALA 81 N -2.91 -0.25 0.36 1.99 0.00 -0.65 -0.32 121.76 119.99 1isk s ALA 81 Ca 0.00 0.36 0.07 0.00 0.00 0.00 0.00 51.96 52.40 1isk s ALA 81 Cb 0.00 -0.22 -0.03 0.00 0.00 0.00 0.00 23.12 22.87 1isk s ALA 81 CO 0.00 -0.07 0.24 1.97 0.00 0.00 0.00 175.76 177.91 1isk n PHE 82 N 3.28 -0.51 -4.36 0.00 -1.74 -0.69 -3.43 117.46 110.02 1isk n PHE 82 Ca -0.15 -2.80 -0.23 0.00 -0.56 0.00 0.00 57.45 53.70 1isk n PHE 82 Cb 0.58 0.20 -0.08 0.00 1.52 0.00 0.00 39.48 41.69 1isk n PHE 82 CO 0.00 0.00 0.00 0.95 -0.56 0.00 0.00 176.76 177.15 1isk s THR 83 N -3.30 3.08 -0.07 1.97 -4.23 -0.08 -2.26 115.64 110.75 1isk s THR 83 Ca 0.34 -2.08 -0.01 0.00 -1.18 0.00 0.00 61.69 58.76 1isk s THR 83 Cb 0.02 -2.66 0.03 0.00 1.34 0.00 0.00 72.50 71.23 1isk s THR 83 CO 0.24 -0.38 -0.01 0.68 -0.54 0.00 0.00 174.62 174.62 1isk s VAL 84 N -2.40 0.47 -0.31 2.29 -7.23 0.16 -1.50 120.40 111.88 1isk s VAL 84 Ca 0.31 0.05 -0.16 0.00 -1.81 0.00 0.00 61.98 60.38 1isk s VAL 84 Cb -0.06 -0.60 -0.02 0.00 0.56 0.00 0.00 36.38 36.27 1isk s VAL 84 CO 0.18 0.27 0.40 -0.44 -0.31 0.00 0.00 175.10 175.20 1isk s SER 85 N 1.84 6.24 -0.01 4.85 0.01 -0.53 -1.14 113.70 124.96 1isk s SER 85 Ca 0.03 0.03 -0.22 0.00 1.31 0.00 0.00 55.95 57.10 1isk s SER 85 Cb -0.12 -2.22 0.05 0.00 0.21 0.00 0.00 66.02 63.93 1isk s SER 85 CO -0.05 -0.30 0.49 0.72 0.41 0.00 0.00 173.24 174.51 1isk s PHE 86 N 2.11 -0.40 0.01 2.43 -0.71 -0.40 0.32 117.98 121.34 1isk s PHE 86 Ca 0.14 0.61 0.04 0.00 -1.04 0.00 0.00 56.93 56.69 1isk s PHE 86 Cb -0.16 0.26 -0.01 0.00 -1.21 0.00 0.00 43.02 41.90 1isk s PHE 86 CO 0.11 -0.53 -0.13 -1.83 -1.34 0.00 0.00 175.22 171.51 1isk s GLU 87 N -1.57 0.95 -0.02 1.99 -1.05 -1.26 -0.32 118.70 117.42 1isk s GLU 87 Ca -0.11 -0.54 0.02 0.00 -0.15 0.00 0.00 54.97 54.20 1isk s GLU 87 Cb -0.02 -0.93 0.00 0.00 -0.44 0.00 0.00 34.13 32.75 1isk s GLU 87 CO 0.05 0.24 -0.08 0.71 0.95 0.00 0.00 175.26 177.13 1isk s TYR 88 N -0.49 0.86 -1.42 4.83 2.02 0.17 -4.81 117.35 118.51 1isk s TYR 88 Ca 0.03 -0.21 -0.02 0.00 -0.37 0.00 0.00 57.07 56.50 1isk s TYR 88 Cb -0.06 -0.62 0.02 0.00 -0.40 0.00 0.00 41.96 40.90 1isk s TYR 88 CO 0.00 -0.09 0.55 1.04 -1.57 0.00 0.00 175.55 175.47 1isk n GLN 89 N 3.31 -3.79 -2.50 -0.62 1.13 -1.26 0.25 117.38 113.89 1isk n GLN 89 Ca -0.18 0.46 -0.20 0.00 -1.94 0.00 0.00 57.00 55.14 1isk n GLN 89 Cb 0.54 -4.78 -0.00 0.00 0.11 0.00 0.00 30.24 26.11 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 -1.83 -0.45 2.98 1.08 0.00 -1.26 -4.97 105.19 100.73 1isk n GLY 90 Ca -0.26 -0.02 -0.30 0.00 0.00 0.00 0.00 46.02 45.44 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 -5.12 1.89 0.27 1.61 6.06 0.14 -4.94 118.95 118.86 1isk s ARG 91 Ca 0.06 -0.86 -0.29 0.00 -2.50 0.00 0.00 55.73 52.14 1isk s ARG 91 Cb -0.03 -2.43 -0.09 0.00 0.06 0.00 0.00 34.95 32.46 1isk s ARG 91 CO 0.07 -0.47 1.04 0.21 -2.50 0.00 0.00 175.30 173.65 1isk s LYS 92 N 1.41 4.69 -0.09 5.12 2.36 0.18 0.42 119.74 133.83 1isk s LYS 92 Ca -0.02 1.67 -0.20 0.00 -2.55 0.00 0.00 55.97 54.86 1isk s LYS 92 Cb -0.17 -3.18 0.05 0.00 -1.05 0.00 0.00 37.83 33.48 1isk s LYS 92 CO -0.08 0.30 0.49 0.99 1.55 0.00 0.00 175.35 178.60 1isk s THR 93 N -1.21 0.02 -0.09 3.43 2.01 0.57 0.11 115.64 120.48 1isk s THR 93 Ca 0.44 -0.16 -0.01 0.00 0.31 0.00 0.00 61.69 62.27 1isk s THR 93 Cb -0.29 -0.76 0.03 0.00 0.01 0.00 0.00 72.50 71.49 1isk s THR 93 CO 0.37 -0.09 -0.03 0.54 -0.69 0.00 0.00 174.62 174.72 1isk s VAL 94 N -0.66 0.68 0.35 3.82 0.11 0.68 -1.27 120.40 124.10 1isk s VAL 94 Ca -0.08 -0.08 0.07 0.00 -2.93 0.00 0.00 61.98 58.97 1isk s VAL 94 Cb -0.03 -0.78 -0.01 0.00 -1.53 0.00 0.00 36.38 34.03 1isk s VAL 94 CO 0.04 0.30 0.43 -0.69 -3.33 0.00 0.00 175.10 171.86 1isk s VAL 95 N 1.85 3.69 -0.42 2.04 1.01 -0.29 -0.91 120.40 127.36 1isk s VAL 95 Ca 0.05 -1.11 0.07 0.00 0.00 0.00 0.00 61.98 60.99 1isk s VAL 95 Cb -0.12 -3.27 0.24 0.00 0.00 0.00 0.00 36.38 33.22 1isk s VAL 95 CO -0.07 -0.13 0.51 0.00 0.00 0.00 0.00 175.10 175.42 1isk n ALA 96 N -1.60 2.64 -1.56 5.51 0.00 0.12 0.37 120.51 126.00 1isk n ALA 96 Ca 0.01 -3.48 -0.30 0.00 0.00 0.00 0.00 53.44 49.66 1isk n ALA 96 Cb 0.59 -0.81 0.07 0.00 0.00 0.00 0.00 19.45 19.30 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 -1.11 2.48 0.23 0.00 0.04 -0.96 -4.75 135.00 130.93 1isk s PRO 97 Ca 0.35 0.78 0.08 0.00 0.04 0.00 0.00 61.00 62.26 1isk s PRO 97 Cb 0.15 -1.95 -0.04 0.00 0.04 0.00 0.00 34.50 32.69 1isk s PRO 97 CO -0.12 -1.38 0.02 0.42 0.04 0.00 0.00 177.00 175.98 1isk s ILE 98 N -3.10 3.65 0.02 0.56 1.01 -0.34 -1.70 121.20 121.29 1isk s ILE 98 Ca 0.59 -1.67 0.02 0.00 0.00 0.00 0.00 60.65 59.59 1isk s ILE 98 Cb -0.14 -2.91 -0.01 0.00 0.01 0.00 0.00 42.46 39.41 1isk s ILE 98 CO 0.55 -0.27 -0.06 -1.81 0.00 0.00 0.00 174.94 173.35 1isk s ASP 99 N -3.39 0.72 -0.40 3.58 1.01 0.56 -1.25 116.67 117.50 1isk s ASP 99 Ca 0.30 -0.32 0.01 0.00 0.71 0.00 0.00 52.55 53.25 1isk s ASP 99 Cb -0.08 -0.02 0.13 0.00 1.01 0.00 0.00 42.92 43.97 1isk s ASP 99 CO 0.20 -0.07 0.21 -1.00 0.21 0.00 0.00 175.17 174.72 1isk s HIS 100 N -0.74 1.69 0.04 4.23 3.76 0.18 -0.31 115.29 124.13 1isk s HIS 100 Ca -0.04 -2.15 -0.26 0.00 -0.15 0.00 0.00 55.06 52.46 1isk s HIS 100 Cb -0.06 -1.67 -0.05 0.00 1.11 0.00 0.00 32.58 31.91 1isk s HIS 100 CO 0.00 -0.81 0.80 -0.06 -0.85 0.00 0.00 174.74 173.82 1isk s PHE 101 N 0.71 3.72 -0.26 1.40 0.40 0.54 -1.51 117.98 122.98 1isk s PHE 101 Ca 0.16 1.51 -0.00 0.00 -0.60 0.00 0.00 56.93 58.00 1isk s PHE 101 Cb -0.23 -2.87 0.04 0.00 0.51 0.00 0.00 43.02 40.47 1isk s PHE 101 CO -0.04 0.22 -0.07 0.50 0.70 0.00 0.00 175.22 176.53 1isk s ARG 102 N 0.14 2.59 -0.37 0.44 3.52 0.13 0.28 118.95 125.68 1isk s ARG 102 Ca 0.41 -1.13 -0.26 0.00 -0.13 0.00 0.00 55.73 54.61 1isk s ARG 102 Cb -0.21 -2.98 0.01 0.00 -1.56 0.00 0.00 34.95 30.22 1isk s ARG 102 CO 0.24 -0.48 0.92 0.12 -0.81 0.00 0.00 175.30 175.28 1isk s PHE 103 N 1.25 3.08 0.00 5.12 2.19 -0.19 -2.81 117.98 126.61 1isk s PHE 103 Ca -0.03 0.77 0.00 0.00 0.33 0.00 0.00 56.93 58.00 1isk s PHE 103 Cb -0.18 -3.63 0.00 0.00 -1.31 0.00 0.00 43.02 37.90 1isk s PHE 103 CO -0.04 -0.82 0.00 -1.71 1.83 0.00 0.00 175.22 174.48 1isk n ASN 104 N 6.75 0.86 -2.33 6.13 5.15 0.46 -4.71 115.26 127.56 1isk n ASN 104 Ca 0.07 0.00 -0.00 0.00 -0.60 0.00 0.00 54.58 54.05 1isk n ASN 104 Cb 0.48 0.00 -0.00 0.00 -0.53 0.00 0.00 39.78 39.73 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 5.00 -0.44 3.51 8.20 0.00 -1.25 0.28 105.19 120.49 1isk n GLY 105 Ca 0.00 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.85 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 -2.32 -2.69 -0.45 4.61 0.00 -1.26 -4.14 120.51 114.26 1isk n ALA 106 Ca -0.00 -0.09 0.00 0.00 0.00 0.00 0.00 53.44 53.35 1isk n ALA 106 Cb 0.45 -1.18 0.00 0.00 0.00 0.00 0.00 19.45 18.71 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 -1.53 0.63 3.15 0.00 0.00 -0.25 -4.84 105.19 102.35 1isk n GLY 107 Ca -0.19 -0.11 0.04 0.00 0.00 0.00 0.00 46.02 45.76 1isk n GLY 107 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1isk s LYS 108 N -0.34 0.56 0.01 1.61 2.20 0.14 -4.98 119.74 118.94 1isk s LYS 108 Ca 0.00 0.79 -0.30 0.00 -0.36 0.00 0.00 55.97 56.10 1isk s LYS 108 Cb 0.00 0.41 -0.07 0.00 -1.51 0.00 0.00 37.83 36.65 1isk s LYS 108 CO 0.00 -0.82 1.74 0.08 -0.36 0.00 0.00 175.35 175.99 1isk s VAL 109 N 2.84 3.27 0.16 4.02 1.01 -1.26 -0.40 120.40 130.04 1isk s VAL 109 Ca 0.16 0.45 0.00 0.00 0.00 0.00 0.00 61.98 62.59 1isk s VAL 109 Cb -0.13 -3.29 0.00 0.00 0.00 0.00 0.00 36.38 32.96 1isk s VAL 109 CO -0.23 -0.03 0.00 0.52 0.00 0.00 0.00 175.10 175.36 1isk n VAL 110 N 5.30 0.36 -2.64 2.92 0.31 -1.12 0.11 118.33 123.56 1isk n VAL 110 Ca 0.18 0.12 -0.43 0.00 -0.01 0.00 0.00 64.34 64.19 1isk n VAL 110 Cb 0.42 -0.79 -0.02 0.00 -0.91 0.00 0.00 33.84 32.54 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 -5.13 6.85 -0.01 4.52 0.01 -1.19 -0.01 113.70 118.73 1isk s SER 111 Ca 0.00 0.89 0.00 0.00 1.31 0.00 0.00 55.95 58.15 1isk s SER 111 Cb 0.00 -2.54 0.02 0.00 0.21 0.00 0.00 66.02 63.71 1isk s SER 111 CO 0.00 -0.97 0.02 0.00 0.41 0.00 0.00 173.24 172.70 1isk s MET 112 N 3.85 -0.02 0.03 12.44 0.23 -0.39 0.22 119.30 135.64 1isk s MET 112 Ca 0.46 0.12 0.02 0.00 -1.03 0.00 0.00 55.69 55.26 1isk s MET 112 Cb -0.11 -0.16 -0.02 0.00 -1.53 0.00 0.00 34.83 33.01 1isk s MET 112 CO 0.19 -0.11 -0.07 0.50 -2.03 0.00 0.00 175.02 173.51 1isk s ARG 113 N 0.70 0.49 0.45 3.16 3.00 -0.57 0.26 118.95 126.44 1isk s ARG 113 Ca -0.06 -0.57 0.07 0.00 -1.00 0.00 0.00 55.73 54.17 1isk s ARG 113 Cb -0.08 -0.32 -0.02 0.00 0.00 0.00 0.00 34.95 34.53 1isk s ARG 113 CO -0.02 0.07 0.30 0.00 0.00 0.00 0.00 175.30 175.65 1isk s ALA 114 N -0.98 3.99 -0.29 6.12 0.00 -0.52 0.47 121.76 130.55 1isk s ALA 114 Ca -0.06 -1.75 0.03 0.00 0.00 0.00 0.00 51.96 50.17 1isk s ALA 114 Cb -0.07 -0.67 0.18 0.00 0.00 0.00 0.00 23.12 22.56 1isk s ALA 114 CO 0.00 -0.26 0.53 -0.51 0.00 0.00 0.00 175.76 175.52 1isk s LEU 115 N -4.08 -1.28 -0.13 0.00 1.43 -0.38 -4.47 118.68 109.76 1isk s LEU 115 Ca 0.40 0.15 0.01 0.00 -1.03 0.00 0.00 54.13 53.67 1isk s LEU 115 Cb -0.00 1.73 -0.01 0.00 0.03 0.00 0.00 46.19 47.94 1isk s LEU 115 CO 0.23 -0.31 -0.17 0.72 0.23 0.00 0.00 176.35 177.06 1isk s PHE 116 N 2.73 2.73 0.21 0.29 -0.71 -1.26 -1.20 117.98 120.78 1isk s PHE 116 Ca 0.12 -0.85 0.02 0.00 -1.04 0.00 0.00 56.93 55.18 1isk s PHE 116 Cb -0.12 -1.81 0.02 0.00 -1.21 0.00 0.00 43.02 39.90 1isk s PHE 116 CO -0.25 -0.33 0.13 0.41 -1.34 0.00 0.00 175.22 173.84 1isk n GLY 117 N 3.63 3.10 1.10 1.99 0.00 -1.26 -4.95 105.19 108.79 1isk n GLY 117 Ca -0.19 -2.23 0.03 0.00 0.00 0.00 0.00 46.02 43.63 1isk n GLY 117 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1isk n GLU 118 N -0.93 2.62 -0.16 1.61 -0.58 -1.26 -4.34 120.64 117.61 1isk n GLU 118 Ca -0.02 -2.97 0.07 0.00 -0.42 0.00 0.00 57.16 53.82 1isk n GLU 118 Cb 0.25 -1.88 0.14 0.00 -0.57 0.00 0.00 31.44 29.38 1isk n GLU 118 CO 0.00 0.00 0.00 0.36 -0.48 0.00 0.00 177.13 177.01 1isk n LYS 119 N -0.70 2.24 -2.67 3.49 -0.00 -1.26 -4.61 118.16 114.65 1isk n LYS 119 Ca 0.28 -2.34 -0.09 0.00 -0.00 0.00 0.00 58.31 56.16 1isk n LYS 119 Cb 1.00 -1.45 0.04 0.00 -0.00 0.00 0.00 35.03 34.63 1isk n LYS 119 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.40 177.67 1isk n ASN 120 N -0.78 1.00 -3.94 -5.58 0.23 -1.26 -5.07 115.26 99.85 1isk n ASN 120 Ca 0.13 -2.67 -0.17 0.00 -0.53 0.00 0.00 54.58 51.34 1isk n ASN 120 Cb 0.59 -0.32 -0.15 0.00 -2.08 0.00 0.00 39.78 37.81 1isk n ASN 120 CO 0.00 0.00 0.00 -0.63 -0.93 0.00 0.00 177.26 175.70 1isk s ILE 121 N -2.69 0.48 -0.02 1.53 1.01 -1.26 0.14 121.20 120.40 1isk s ILE 121 Ca 0.26 -0.20 0.04 0.00 0.00 0.00 0.00 60.65 60.75 1isk s ILE 121 Cb 0.45 -0.44 -0.01 0.00 0.01 0.00 0.00 42.46 42.47 1isk s ILE 121 CO 0.02 0.16 -0.14 -1.00 0.00 0.00 0.00 174.94 173.99 1isk s HIS 122 N 0.21 1.29 0.29 3.97 3.76 -0.09 -4.98 115.29 119.74 1isk s HIS 122 Ca -0.02 -0.28 0.09 0.00 -0.15 0.00 0.00 55.06 54.70 1isk s HIS 122 Cb -0.06 -0.85 -0.04 0.00 1.11 0.00 0.00 32.58 32.73 1isk s HIS 122 CO -0.00 -0.06 0.03 0.00 -0.85 0.00 0.00 174.74 173.87 1isk s ALA 123 N -0.20 3.25 0.00 -1.40 0.00 -1.26 -0.23 121.76 121.92 1isk s ALA 123 Ca 0.03 -1.71 0.00 0.00 0.00 0.00 0.00 51.96 50.27 1isk s ALA 123 Cb -0.07 -0.74 0.00 0.00 0.00 0.00 0.00 23.12 22.31 1isk s ALA 123 CO 0.00 0.20 0.00 0.41 0.00 0.00 0.00 175.76 176.37 1isk n GLY 124 N -0.96 0.14 0.00 0.00 0.00 0.12 -4.93 105.19 99.55 1isk n GLY 124 Ca -0.05 -1.22 0.00 0.00 0.00 0.00 0.00 46.02 44.75 1isk n GLY 124 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32