#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 -6.99 -4.83 3.17 4.13 -1.26 -2.31 115.26 107.16 1isk n ASN 2 Ca 0.00 0.54 -0.26 0.00 1.68 0.00 0.00 54.58 56.54 1isk n ASN 2 Cb 0.00 -3.74 -0.05 0.00 -1.54 0.00 0.00 39.78 34.45 1isk n ASN 2 CO 0.00 0.00 0.00 0.42 0.28 0.00 0.00 177.26 177.96 1isk s THR 3 N -2.24 4.65 0.19 3.41 -4.23 -1.26 -4.82 115.64 111.34 1isk s THR 3 Ca 0.00 -1.03 0.11 0.00 -1.18 0.00 0.00 61.69 59.58 1isk s THR 3 Cb 0.00 -3.40 -0.05 0.00 1.34 0.00 0.00 72.50 70.39 1isk s THR 3 CO 0.00 -0.13 1.52 1.55 -0.54 0.00 0.00 174.62 177.02 1isk h PRO 4 N 2.25 0.00 -0.19 3.99 0.13 -1.91 -1.14 132.00 135.13 1isk h PRO 4 Ca -0.48 0.00 -0.09 0.00 -0.87 0.00 0.00 66.00 64.56 1isk h PRO 4 Cb 1.20 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.33 1isk h PRO 4 CO 0.64 0.69 -0.23 0.93 -0.23 0.00 0.00 178.00 179.80 1isk h GLU 5 N 0.00 0.49 -0.16 0.86 5.08 -1.98 0.95 114.58 119.82 1isk h GLU 5 Ca -0.01 -0.27 -0.06 0.00 -1.00 0.00 0.00 59.36 58.02 1isk h GLU 5 Cb 1.28 0.02 -0.00 0.00 0.50 0.00 0.00 28.75 30.55 1isk h GLU 5 CO 0.09 0.86 -0.14 1.25 -1.00 0.00 0.00 179.01 180.07 1isk h HIS 6 N 0.16 0.46 0.97 4.33 2.76 -1.97 -0.40 115.15 121.45 1isk h HIS 6 Ca 0.03 -0.13 -0.05 0.00 -2.20 0.00 0.00 60.37 58.02 1isk h HIS 6 Cb 0.78 -0.10 0.01 0.00 1.55 0.00 0.00 27.41 29.66 1isk h HIS 6 CO 0.08 0.75 -0.47 0.52 -1.30 0.00 0.00 177.93 177.52 1isk h MET 7 N 0.03 -1.26 -0.83 5.26 2.86 -1.23 0.39 114.93 120.15 1isk h MET 7 Ca 0.03 0.09 0.10 0.00 -2.06 0.00 0.00 59.70 57.86 1isk h MET 7 Cb 0.67 0.29 -0.08 0.00 0.06 0.00 0.00 31.60 32.54 1isk h MET 7 CO 0.04 -0.84 0.47 1.15 1.06 0.00 0.00 176.91 178.79 1isk h THR 8 N -1.31 0.88 -0.69 2.22 2.02 -0.89 0.21 112.91 115.36 1isk h THR 8 Ca -0.13 -0.26 -0.03 0.00 0.77 0.00 0.00 66.41 66.76 1isk h THR 8 Cb 1.00 0.04 -0.03 0.00 -1.74 0.00 0.00 68.15 67.42 1isk h THR 8 CO 0.22 0.14 0.33 0.00 0.37 0.00 0.00 175.52 176.58 1isk h ALA 9 N 1.47 0.89 -0.79 6.16 0.00 -0.86 0.20 119.26 126.33 1isk h ALA 9 Ca 0.41 -0.15 0.03 0.00 0.00 0.00 0.00 54.91 55.21 1isk h ALA 9 Cb 0.41 -0.27 -0.05 0.00 0.00 0.00 0.00 17.79 17.88 1isk h ALA 9 CO -0.27 0.46 0.50 0.28 0.00 0.00 0.00 179.25 180.23 1isk h VAL 10 N 0.97 1.12 -0.31 0.00 2.07 0.17 0.16 116.25 120.43 1isk h VAL 10 Ca 0.24 -0.34 -0.03 0.00 0.82 0.00 0.00 66.70 67.39 1isk h VAL 10 Cb 0.12 0.05 -0.01 0.00 -1.52 0.00 0.00 31.29 29.93 1isk h VAL 10 CO -0.03 0.18 0.09 0.58 0.02 0.00 0.00 177.57 178.41 1isk h VAL 11 N 0.98 1.21 0.05 2.57 2.07 -0.45 0.17 116.25 122.86 1isk h VAL 11 Ca 0.32 -0.69 0.02 0.00 0.82 0.00 0.00 66.70 67.17 1isk h VAL 11 Cb 0.01 1.08 -0.03 0.00 -1.52 0.00 0.00 31.29 30.83 1isk h VAL 11 CO -0.11 0.23 -0.16 -0.61 0.02 0.00 0.00 177.57 176.94 1isk h GLN 12 N 0.34 -0.28 -0.87 1.57 4.15 -0.20 0.12 115.11 119.94 1isk h GLN 12 Ca 0.10 0.02 0.00 0.00 0.77 0.00 0.00 58.65 59.54 1isk h GLN 12 Cb 0.27 0.06 -0.04 0.00 0.21 0.00 0.00 27.48 27.98 1isk h GLN 12 CO -0.00 -0.18 0.56 -0.09 -1.93 0.00 0.00 178.83 177.18 1isk h ARG 13 N -0.29 1.16 0.23 1.69 2.43 -0.59 -1.40 114.38 117.61 1isk h ARG 13 Ca 0.03 -0.09 -0.00 0.00 -0.81 0.00 0.00 59.98 59.12 1isk h ARG 13 Cb 0.32 -0.25 -0.01 0.00 -0.42 0.00 0.00 29.97 29.61 1isk h ARG 13 CO -0.11 0.79 -0.18 -0.92 -1.51 0.00 0.00 179.97 178.04 1isk h TYR 14 N 1.19 -0.48 0.15 2.20 3.20 -0.04 -0.72 116.97 122.47 1isk h TYR 14 Ca 0.32 -0.00 0.02 0.00 3.14 0.00 0.00 58.73 62.20 1isk h TYR 14 Cb -0.10 0.18 -0.04 0.00 1.54 0.00 0.00 36.73 38.31 1isk h TYR 14 CO -0.01 -0.28 -0.35 0.28 -1.64 0.00 0.00 178.16 176.17 1isk h VAL 15 N -0.42 0.27 -0.87 1.81 2.07 -0.52 0.43 116.25 119.02 1isk h VAL 15 Ca -0.01 0.00 0.23 0.00 0.82 0.00 0.00 66.70 67.74 1isk h VAL 15 Cb 0.38 0.27 -0.14 0.00 -1.52 0.00 0.00 31.29 30.28 1isk h VAL 15 CO -0.02 0.00 0.23 0.00 0.02 0.00 0.00 177.57 177.81 1isk h ALA 16 N -0.01 1.25 -0.58 1.67 0.00 -1.10 0.96 119.26 121.46 1isk h ALA 16 Ca 0.02 0.22 -0.08 0.00 0.00 0.00 0.00 54.91 55.07 1isk h ALA 16 Cb 0.61 0.30 -0.02 0.00 0.00 0.00 0.00 17.79 18.68 1isk h ALA 16 CO -0.19 -0.45 0.05 0.00 0.00 0.00 0.00 179.25 178.67 1isk h ALA 17 N 1.76 0.77 -0.35 0.00 0.00 0.25 -0.45 119.26 121.24 1isk h ALA 17 Ca 0.54 -0.28 0.04 0.00 0.00 0.00 0.00 54.91 55.21 1isk h ALA 17 Cb 1.06 -0.22 -0.04 0.00 0.00 0.00 0.00 17.79 18.60 1isk h ALA 17 CO -0.64 0.56 0.13 1.25 0.00 0.00 0.00 179.25 180.56 1isk h LEU 18 N 0.88 0.15 -0.88 0.00 5.85 0.52 0.26 115.31 122.10 1isk h LEU 18 Ca 0.17 0.04 -0.04 0.00 0.84 0.00 0.00 57.88 58.89 1isk h LEU 18 Cb 0.48 0.02 -0.04 0.00 0.37 0.00 0.00 40.66 41.49 1isk h LEU 18 CO 0.02 0.13 0.34 -1.13 -0.34 0.00 0.00 178.44 177.46 1isk h ASN 19 N 0.29 1.06 0.64 1.25 -0.73 -0.19 0.43 115.58 118.33 1isk h ASN 19 Ca 0.16 -0.15 0.00 0.00 1.87 0.00 0.00 56.30 58.18 1isk h ASN 19 Cb 0.12 -0.27 0.00 0.00 0.27 0.00 0.00 38.32 38.44 1isk h ASN 19 CO -0.15 0.92 0.00 0.00 -0.37 0.00 0.00 177.43 177.83 1isk n ALA 20 N -2.43 1.60 -1.23 1.57 0.00 -0.20 -4.84 120.51 114.98 1isk n ALA 20 Ca 0.07 0.08 -0.03 0.00 0.00 0.00 0.00 53.44 53.56 1isk n ALA 20 Cb 0.17 -1.36 -0.01 0.00 0.00 0.00 0.00 19.45 18.25 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 -0.12 0.54 3.31 0.00 0.00 0.61 -4.91 105.19 104.62 1isk n GLY 21 Ca 0.02 -0.93 -0.37 0.00 0.00 0.00 0.00 46.02 44.74 1isk n GLY 21 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1isk n ASP 22 N 1.54 2.51 -0.10 1.61 9.92 0.57 -4.65 116.55 127.95 1isk n ASP 22 Ca -0.03 -2.66 -0.08 0.00 -0.53 0.00 0.00 54.79 51.49 1isk n ASP 22 Cb 0.16 -1.28 -0.00 0.00 -0.64 0.00 0.00 41.12 39.35 1isk n ASP 22 CO 0.00 0.00 0.00 0.25 0.13 0.00 0.00 177.20 177.58 1isk h LEU 23 N 15.84 0.32 0.37 0.64 7.12 -1.91 0.41 115.31 138.11 1isk h LEU 23 Ca 0.32 0.00 -0.02 0.00 0.13 0.00 0.00 57.88 58.32 1isk h LEU 23 Cb 0.77 -0.06 0.00 0.00 -0.53 0.00 0.00 40.66 40.84 1isk h LEU 23 CO 1.69 0.23 -0.18 -0.78 -0.13 0.00 0.00 178.44 179.28 1isk h ASP 24 N 0.41 -0.43 -1.25 1.25 3.58 -1.98 -0.35 116.42 117.65 1isk h ASP 24 Ca 0.14 0.01 0.38 0.00 0.42 0.00 0.00 57.03 57.98 1isk h ASP 24 Cb 0.01 0.11 -0.11 0.00 1.72 0.00 0.00 39.33 41.06 1isk h ASP 24 CO -0.07 -0.17 0.82 1.23 -2.88 0.00 0.00 179.24 178.17 1isk h GLY 25 N -0.77 1.07 0.92 -0.78 0.00 -1.93 1.12 103.07 102.70 1isk h GLY 25 Ca -0.05 -0.13 -0.14 0.00 0.00 0.00 0.00 47.33 47.01 1isk h GLY 25 CO 0.08 -0.25 -0.46 -2.22 0.00 0.00 0.00 176.54 173.69 1isk h ILE 26 N 0.17 1.34 0.00 2.60 2.04 -0.11 0.45 117.51 124.00 1isk h ILE 26 Ca 0.73 -1.73 0.00 0.00 1.00 0.00 0.00 64.86 64.86 1isk h ILE 26 Cb 2.25 2.02 0.00 0.00 -0.74 0.00 0.00 36.82 40.35 1isk h ILE 26 CO -0.32 0.53 0.00 0.58 0.00 0.00 0.00 178.15 178.94 1isk h VAL 27 N 0.23 0.00 0.00 1.67 2.07 0.28 -1.74 116.25 118.76 1isk h VAL 27 Ca -0.01 -0.23 -0.16 0.00 0.82 0.00 0.00 66.70 67.12 1isk h VAL 27 Cb 1.08 0.96 -0.03 0.00 -1.52 0.00 0.00 31.29 31.78 1isk h VAL 27 CO 0.10 0.00 -2.07 0.00 0.02 0.00 0.00 177.57 175.61 1isk n ALA 28 N -1.82 2.20 -0.04 1.67 0.00 0.14 -4.38 120.51 118.28 1isk n ALA 28 Ca 0.01 -0.84 -0.09 0.00 0.00 0.00 0.00 53.44 52.53 1isk n ALA 28 Cb 0.21 -0.55 -0.02 0.00 0.00 0.00 0.00 19.45 19.08 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 -0.80 0.00 0.00 6.46 0.84 -3.43 115.31 118.38 1isk h LEU 29 Ca -0.23 0.14 -0.20 0.00 -0.12 0.00 0.00 57.88 57.47 1isk h LEU 29 Cb 1.55 0.37 0.01 0.00 -0.73 0.00 0.00 40.66 41.86 1isk h LEU 29 CO 0.02 -0.29 -0.03 2.22 -0.62 0.00 0.00 178.44 179.74 1isk n PHE 30 N -5.38 -2.70 -0.43 1.25 1.16 -1.22 -4.98 117.46 105.16 1isk n PHE 30 Ca -0.01 -0.88 -0.15 0.00 -1.87 0.00 0.00 57.45 54.54 1isk n PHE 30 Cb 0.30 -0.23 0.15 0.00 -1.61 0.00 0.00 39.48 38.09 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 -2.72 -2.66 0.42 1.98 0.00 -0.72 -4.93 120.51 111.87 1isk n ALA 31 Ca -0.06 -0.77 0.05 0.00 0.00 0.00 0.00 53.44 52.66 1isk n ALA 31 Cb 0.25 -0.07 -0.07 0.00 0.00 0.00 0.00 19.45 19.56 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 -1.78 0.86 -0.07 0.00 9.92 -1.26 -4.40 116.55 119.82 1isk n ASP 32 Ca 0.07 -0.62 0.05 0.00 -0.53 0.00 0.00 54.79 53.75 1isk n ASP 32 Cb 0.30 1.09 0.07 0.00 -0.64 0.00 0.00 41.12 41.94 1isk n ASP 32 CO 0.00 0.00 0.00 -0.67 0.13 0.00 0.00 177.20 176.66 1isk n ASP 33 N -1.37 1.91 -4.53 -2.24 4.64 -1.26 -2.57 116.55 111.13 1isk n ASP 33 Ca 0.01 -2.45 -0.29 0.00 -1.38 0.00 0.00 54.79 50.68 1isk n ASP 33 Cb 0.19 -0.21 0.23 0.00 -1.04 0.00 0.00 41.12 40.29 1isk n ASP 33 CO 0.00 0.00 0.00 0.00 -0.82 0.00 0.00 177.20 176.38 1isk s ALA 34 N -1.75 -0.08 -0.09 -1.67 0.00 -1.26 -4.12 121.76 112.78 1isk s ALA 34 Ca 0.15 0.02 0.03 0.00 0.00 0.00 0.00 51.96 52.16 1isk s ALA 34 Cb 0.13 -3.29 0.01 0.00 0.00 0.00 0.00 23.12 19.97 1isk s ALA 34 CO 0.01 -3.63 -0.20 0.95 0.00 0.00 0.00 175.76 172.89 1isk s THR 35 N -2.50 1.75 0.06 0.00 -4.23 0.22 -1.38 115.64 109.55 1isk s THR 35 Ca 0.68 -0.83 0.02 0.00 -1.18 0.00 0.00 61.69 60.38 1isk s THR 35 Cb -0.24 -1.53 -0.04 0.00 1.34 0.00 0.00 72.50 72.02 1isk s THR 35 CO 0.63 0.49 0.08 -0.69 -0.54 0.00 0.00 174.62 174.60 1isk s VAL 36 N 0.49 4.61 -0.45 2.29 1.01 0.12 -0.52 120.40 127.95 1isk s VAL 36 Ca -0.17 -0.66 0.09 0.00 0.00 0.00 0.00 61.98 61.25 1isk s VAL 36 Cb -0.17 -3.19 0.33 0.00 0.00 0.00 0.00 36.38 33.35 1isk s VAL 36 CO 0.06 0.19 0.77 -0.62 0.00 0.00 0.00 175.10 175.50 1isk n GLU 37 N 0.66 1.69 -3.76 2.72 1.02 0.21 -0.02 120.64 123.16 1isk n GLU 37 Ca -0.10 -3.87 -0.15 0.00 -0.02 0.00 0.00 57.16 53.03 1isk n GLU 37 Cb 0.52 -1.83 -0.16 0.00 -0.02 0.00 0.00 31.44 29.95 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 -2.57 0.05 0.00 1.62 3.68 -1.26 -1.14 116.67 117.05 1isk s ASP 38 Ca 0.42 0.13 0.00 0.00 2.13 0.00 0.00 52.55 55.23 1isk s ASP 38 Cb 0.29 0.01 0.00 0.00 -1.45 0.00 0.00 42.92 41.78 1isk s ASP 38 CO -0.10 -0.14 0.00 -0.81 0.13 0.00 0.00 175.17 174.25 1isk n PRO 39 N 4.24 3.38 -4.31 4.34 -0.04 -1.26 -5.01 135.00 136.34 1isk n PRO 39 Ca -0.27 0.00 -0.29 0.00 -0.04 0.00 0.00 63.50 62.91 1isk n PRO 39 Cb 0.50 0.00 -0.11 0.00 -0.04 0.00 0.00 33.50 33.85 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 0.00 2.85 0.00 0.52 1.01 -1.26 -4.71 120.40 118.80 1isk s VAL 40 Ca 0.00 -1.57 0.00 0.00 0.00 0.00 0.00 61.98 60.41 1isk s VAL 40 Cb 0.00 -2.32 0.00 0.00 0.00 0.00 0.00 36.38 34.06 1isk s VAL 40 CO 0.00 0.06 0.00 0.61 0.00 0.00 0.00 175.10 175.77 1isk n GLY 41 N 0.66 -1.87 0.00 4.51 0.00 -1.26 -5.03 105.19 102.20 1isk n GLY 41 Ca -0.15 0.63 0.00 0.00 0.00 0.00 0.00 46.02 46.51 1isk n GLY 41 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1isk n SER 42 N 0.00 0.00 0.00 1.61 3.41 -1.26 -5.12 113.62 112.26 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 -1.84 -0.16 0.00 0.00 175.04 173.04 1isk n GLU 43 N 0.00 0.00 0.00 4.33 0.28 -1.26 -5.18 120.64 118.81 1isk n GLU 43 Ca 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 57.00 1isk n GLU 43 Cb 0.00 0.00 0.00 0.00 1.43 0.00 0.00 31.44 32.87 1isk n GLU 43 CO 0.00 0.00 0.00 -0.35 -0.16 0.00 0.00 177.13 176.62 1isk n PRO 44 N 0.00 -0.35 -4.06 3.44 -0.04 -1.26 -4.95 135.00 127.78 1isk n PRO 44 Ca 0.00 0.00 -0.10 0.00 -0.04 0.00 0.00 63.50 63.36 1isk n PRO 44 Cb 0.00 0.00 -0.11 0.00 -0.04 0.00 0.00 33.50 33.35 1isk n PRO 44 CO 0.00 0.00 0.00 1.03 -0.04 0.00 0.00 175.50 176.49 1isk s ARG 45 N -2.68 0.52 -0.06 0.54 0.52 0.98 -4.99 118.95 113.78 1isk s ARG 45 Ca 0.00 -0.93 -0.03 0.00 -0.52 0.00 0.00 55.73 54.25 1isk s ARG 45 Cb 0.00 -0.00 0.03 0.00 0.52 0.00 0.00 34.95 35.50 1isk s ARG 45 CO 0.00 -0.04 0.14 -1.54 0.02 0.00 0.00 175.30 173.88 1isk s SER 46 N -2.14 -0.11 0.00 0.23 1.04 -1.26 0.11 113.70 111.56 1isk s SER 46 Ca -0.04 0.29 0.00 0.00 0.48 0.00 0.00 55.95 56.68 1isk s SER 46 Cb -0.03 0.21 0.00 0.00 0.10 0.00 0.00 66.02 66.30 1isk s SER 46 CO -0.04 -0.12 0.00 0.61 0.98 0.00 0.00 173.24 174.67 1isk n GLY 47 N 3.88 2.48 0.09 7.32 0.00 -0.48 -4.49 105.19 113.99 1isk n GLY 47 Ca -0.23 -1.70 0.08 0.00 0.00 0.00 0.00 46.02 44.17 1isk n GLY 47 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1isk n THR 48 N 1.33 1.28 0.19 2.61 -2.24 -1.06 -0.16 114.28 116.23 1isk n THR 48 Ca 0.00 0.54 -0.08 0.00 -2.27 0.00 0.00 64.05 62.24 1isk n THR 48 Cb 0.00 -1.50 -0.04 0.00 -2.10 0.00 0.00 70.33 66.69 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 2.10 -0.72 -0.13 6.98 0.00 -1.88 -0.39 119.26 125.21 1isk h ALA 49 Ca 0.00 -0.11 -0.18 0.00 0.00 0.00 0.00 54.91 54.62 1isk h ALA 49 Cb 0.09 0.20 0.01 0.00 0.00 0.00 0.00 17.79 18.08 1isk h ALA 49 CO 0.00 -0.68 -0.61 0.00 0.00 0.00 0.00 179.25 177.96 1isk h ALA 50 N -1.49 0.25 -0.22 0.00 0.00 -1.72 -0.49 119.26 115.59 1isk h ALA 50 Ca -0.05 -0.54 0.06 0.00 0.00 0.00 0.00 54.91 54.37 1isk h ALA 50 Cb 0.40 -0.01 -0.06 0.00 0.00 0.00 0.00 17.79 18.11 1isk h ALA 50 CO 0.09 0.51 -0.19 0.82 0.00 0.00 0.00 179.25 180.48 1isk h ILE 51 N 0.31 0.49 0.35 0.00 2.04 -0.68 0.40 117.51 120.42 1isk h ILE 51 Ca -0.04 0.00 -0.02 0.00 1.00 0.00 0.00 64.86 65.80 1isk h ILE 51 Cb 1.25 0.49 0.00 0.00 -0.74 0.00 0.00 36.82 37.82 1isk h ILE 51 CO 0.13 0.00 -0.17 -0.09 0.00 0.00 0.00 178.15 178.02 1isk h ARG 52 N -0.20 -0.45 -1.82 2.37 2.43 -1.08 -0.88 114.38 114.74 1isk h ARG 52 Ca 0.13 0.03 0.53 0.00 -0.81 0.00 0.00 59.98 59.86 1isk h ARG 52 Cb 0.40 0.10 -0.08 0.00 -0.42 0.00 0.00 29.97 29.97 1isk h ARG 52 CO -0.34 -0.30 1.31 0.93 -1.51 0.00 0.00 179.97 180.06 1isk h GLU 53 N -0.62 0.00 0.07 0.20 5.08 -1.00 0.27 114.58 118.59 1isk h GLU 53 Ca -0.05 -0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.31 1isk h GLU 53 Cb 0.36 -0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.61 1isk h GLU 53 CO 0.08 0.00 -0.04 0.35 -1.00 0.00 0.00 179.01 178.40 1isk h PHE 54 N 0.00 -0.09 -0.79 4.33 3.57 -0.02 -0.20 116.94 123.74 1isk h PHE 54 Ca 0.88 -0.00 0.19 0.00 3.53 0.00 0.00 57.97 62.56 1isk h PHE 54 Cb 3.49 0.03 -0.13 0.00 2.79 0.00 0.00 35.95 42.13 1isk h PHE 54 CO -0.00 -0.06 0.15 1.88 -2.23 0.00 0.00 178.31 178.05 1isk h TYR 55 N -0.34 0.22 0.04 0.41 -1.99 0.42 0.20 116.97 115.92 1isk h TYR 55 Ca -0.01 0.05 -0.00 0.00 2.00 0.00 0.00 58.73 60.77 1isk h TYR 55 Cb 0.08 0.03 0.00 0.00 2.00 0.00 0.00 36.73 38.84 1isk h TYR 55 CO 0.04 -0.17 -0.02 0.00 -0.00 0.00 0.00 178.16 178.01 1isk h ALA 56 N 1.70 -0.05 -0.68 3.88 0.00 -0.68 0.18 119.26 123.60 1isk h ALA 56 Ca 0.46 -0.15 0.20 0.00 0.00 0.00 0.00 54.91 55.42 1isk h ALA 56 Cb 0.85 0.02 -0.03 0.00 0.00 0.00 0.00 17.79 18.64 1isk h ALA 56 CO -0.60 -0.38 0.60 -0.97 0.00 0.00 0.00 179.25 177.90 1isk h ASN 57 N -0.35 0.00 0.00 0.00 -1.24 0.95 0.38 115.58 115.32 1isk h ASN 57 Ca -0.01 0.00 -0.03 0.00 0.71 0.00 0.00 56.30 56.97 1isk h ASN 57 Cb 0.32 0.00 -0.00 0.00 0.73 0.00 0.00 38.32 39.37 1isk h ASN 57 CO 0.01 0.00 -0.26 0.28 -1.29 0.00 0.00 177.43 176.17 1isk h SER 58 N 0.00 0.00 0.00 1.15 0.02 -0.11 -3.29 113.55 111.32 1isk h SER 58 Ca 0.32 -0.37 0.00 0.00 -0.84 0.00 0.00 61.79 60.90 1isk h SER 58 Cb 1.53 0.00 0.00 0.00 0.14 0.00 0.00 62.40 64.07 1isk h SER 58 CO -0.00 0.83 0.31 -0.07 -1.14 0.00 0.00 176.83 176.76 1isk h LEU 59 N -1.00 0.00 -1.94 5.07 3.38 0.72 -1.51 115.31 120.02 1isk h LEU 59 Ca -0.05 0.00 0.56 0.00 0.09 0.00 0.00 57.88 58.49 1isk h LEU 59 Cb 0.56 0.00 -0.08 0.00 0.09 0.00 0.00 40.66 41.24 1isk h LEU 59 CO -0.03 0.00 1.41 0.29 0.09 0.00 0.00 178.44 180.20 1isk n LYS 60 N -2.86 0.00 -3.52 1.13 4.76 0.12 -4.04 118.16 113.75 1isk n LYS 60 Ca -0.02 1.07 -0.38 0.00 -2.87 0.00 0.00 58.31 56.11 1isk n LYS 60 Cb 0.36 -2.47 -0.06 0.00 -1.84 0.00 0.00 35.03 31.02 1isk n LYS 60 CO 0.00 0.00 0.00 -1.17 -1.37 0.00 0.00 177.40 174.86 1isk s LEU 61 N -7.75 4.40 -0.70 -0.35 2.96 -0.57 -4.96 118.68 111.71 1isk s LEU 61 Ca -0.05 0.82 -0.06 0.00 -0.22 0.00 0.00 54.13 54.62 1isk s LEU 61 Cb 0.26 -2.51 -0.13 0.00 0.50 0.00 0.00 46.19 44.31 1isk s LEU 61 CO 0.87 0.25 2.64 -0.81 -1.32 0.00 0.00 176.35 177.99 1isk n PRO 62 N 2.38 2.24 -1.05 0.98 -0.04 -1.26 -4.87 135.00 133.37 1isk n PRO 62 Ca -0.13 -1.34 -0.18 0.00 -0.04 0.00 0.00 63.50 61.82 1isk n PRO 62 Cb 0.52 -2.29 0.13 0.00 -0.04 0.00 0.00 33.50 31.82 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 3.37 0.00 -3.45 1.53 -0.00 -1.26 -4.79 117.00 112.41 1isk n LEU 63 Ca 0.48 -0.84 -0.19 0.00 -0.00 0.00 0.00 56.01 55.46 1isk n LEU 63 Cb 0.40 -0.60 -0.11 0.00 -0.00 0.00 0.00 43.42 43.10 1isk n LEU 63 CO 0.50 -1.16 -0.20 0.00 -0.00 0.00 0.00 177.39 176.54 1isk s ALA 64 N -3.84 -0.27 0.12 1.47 0.00 0.93 -4.93 121.76 115.25 1isk s ALA 64 Ca 0.44 -0.21 -0.13 0.00 0.00 0.00 0.00 51.96 52.06 1isk s ALA 64 Cb -0.02 -1.59 -0.07 0.00 0.00 0.00 0.00 23.12 21.45 1isk s ALA 64 CO 0.32 -1.53 0.51 0.08 0.00 0.00 0.00 175.76 175.13 1isk s VAL 65 N 2.32 4.92 -0.28 0.00 1.01 -1.26 -1.35 120.40 125.77 1isk s VAL 65 Ca 0.09 0.75 -0.22 0.00 0.00 0.00 0.00 61.98 62.59 1isk s VAL 65 Cb -0.15 -3.72 0.09 0.00 0.00 0.00 0.00 36.38 32.60 1isk s VAL 65 CO -0.26 0.28 0.78 -0.70 0.00 0.00 0.00 175.10 175.19 1isk s GLU 66 N -1.89 0.72 0.74 2.72 2.56 -0.50 -4.87 118.70 118.18 1isk s GLU 66 Ca 0.36 0.97 -0.11 0.00 0.00 0.00 0.00 54.97 56.19 1isk s GLU 66 Cb -0.15 0.29 0.04 0.00 2.00 0.00 0.00 34.13 36.31 1isk s GLU 66 CO 0.19 -0.11 1.08 -0.51 -0.56 0.00 0.00 175.26 175.35 1isk s LEU 67 N 0.75 3.09 0.00 2.70 1.43 -1.26 -0.08 118.68 125.31 1isk s LEU 67 Ca -0.03 1.78 0.00 0.00 -1.03 0.00 0.00 54.13 54.85 1isk s LEU 67 Cb -0.05 -4.52 0.00 0.00 0.03 0.00 0.00 46.19 41.65 1isk s LEU 67 CO -0.07 -1.84 0.00 1.07 0.23 0.00 0.00 176.35 175.74 1isk n THR 68 N -3.32 0.00 0.00 5.49 5.66 -1.25 -4.81 114.28 116.05 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 0.53 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 69.31 1isk n THR 68 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1isk n GLN 69 N 0.00 0.00 -3.66 1.09 6.02 -1.23 -5.00 117.38 114.60 1isk n GLN 69 Ca 0.00 0.00 -0.01 0.00 -0.01 0.00 0.00 57.00 56.98 1isk n GLN 69 Cb 0.00 0.00 -0.01 0.00 1.02 0.00 0.00 30.24 31.25 1isk n GLN 69 CO 0.00 0.00 0.00 -2.00 -1.01 0.00 0.00 177.06 174.05 1isk s GLU 70 N 0.24 0.64 -0.36 -1.09 -6.30 -1.26 -5.00 118.70 105.57 1isk s GLU 70 Ca 0.00 -0.35 -0.00 0.00 -2.50 0.00 0.00 54.97 52.12 1isk s GLU 70 Cb 0.00 0.22 0.13 0.00 0.00 0.00 0.00 34.13 34.48 1isk s GLU 70 CO 0.00 -0.29 0.19 0.08 0.02 0.00 0.00 175.26 175.25 1isk s VAL 71 N -2.70 0.62 0.55 3.70 1.01 -1.26 -1.38 120.40 120.94 1isk s VAL 71 Ca 0.13 -1.77 -0.17 0.00 0.00 0.00 0.00 61.98 60.17 1isk s VAL 71 Cb 0.03 -1.46 -0.06 0.00 0.00 0.00 0.00 36.38 34.89 1isk s VAL 71 CO -0.02 -0.87 1.03 0.00 0.00 0.00 0.00 175.10 175.24 1isk s ARG 72 N 1.10 3.62 -0.13 2.72 1.70 0.16 -4.83 118.95 123.30 1isk s ARG 72 Ca 0.15 1.16 -0.09 0.00 -0.47 0.00 0.00 55.73 56.48 1isk s ARG 72 Cb -0.21 -2.08 0.04 0.00 -0.57 0.00 0.00 34.95 32.13 1isk s ARG 72 CO -0.09 -0.56 0.32 0.00 -1.08 0.00 0.00 175.30 173.89 1isk s ALA 73 N -2.41 -0.79 0.00 7.88 0.00 -1.26 0.29 121.76 125.47 1isk s ALA 73 Ca 0.63 1.07 0.00 0.00 0.00 0.00 0.00 51.96 53.66 1isk s ALA 73 Cb -0.14 -0.64 0.00 0.00 0.00 0.00 0.00 23.12 22.34 1isk s ALA 73 CO 0.31 -0.19 0.00 0.28 0.00 0.00 0.00 175.76 176.16 1isk n VAL 74 N 3.55 0.00 -1.18 0.00 0.31 0.12 -4.92 118.33 116.21 1isk n VAL 74 Ca -0.18 0.00 -0.23 0.00 -0.01 0.00 0.00 64.34 63.91 1isk n VAL 74 Cb 0.56 0.00 -0.16 0.00 -0.91 0.00 0.00 33.84 33.33 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 0.62 -3.08 3.52 0.00 -1.26 -1.16 120.51 116.14 1isk n ALA 75 Ca 0.00 -0.47 -0.07 0.00 0.00 0.00 0.00 53.44 52.90 1isk n ALA 75 Cb 0.00 -1.85 -0.01 0.00 0.00 0.00 0.00 19.45 17.59 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 5.96 -0.04 -3.69 0.00 5.15 -0.98 -4.79 115.26 116.86 1isk n ASN 76 Ca 0.53 -0.26 -0.12 0.00 -0.60 0.00 0.00 54.58 54.13 1isk n ASN 76 Cb 0.07 -0.31 -0.07 0.00 -0.53 0.00 0.00 39.78 38.94 1isk n ASN 76 CO 0.00 0.00 0.00 -1.83 1.40 0.00 0.00 177.26 176.83 1isk s GLU 77 N -4.25 0.89 -0.09 1.20 -1.05 -0.31 -0.44 118.70 114.64 1isk s GLU 77 Ca 0.02 -0.39 -0.05 0.00 -0.15 0.00 0.00 54.97 54.41 1isk s GLU 77 Cb -0.01 0.39 0.04 0.00 -0.44 0.00 0.00 34.13 34.11 1isk s GLU 77 CO 0.20 -0.30 0.20 0.00 0.95 0.00 0.00 175.26 176.31 1isk s ALA 78 N -2.46 -0.44 -0.10 -0.84 0.00 -0.45 0.14 121.76 117.60 1isk s ALA 78 Ca -0.05 0.82 -0.01 0.00 0.00 0.00 0.00 51.96 52.72 1isk s ALA 78 Cb -0.01 -0.52 0.02 0.00 0.00 0.00 0.00 23.12 22.61 1isk s ALA 78 CO -0.02 -0.17 -0.05 0.00 0.00 0.00 0.00 175.76 175.51 1isk s ALA 79 N 1.06 1.12 0.18 0.00 0.00 0.14 -0.22 121.76 124.05 1isk s ALA 79 Ca -0.08 -0.40 0.07 0.00 0.00 0.00 0.00 51.96 51.55 1isk s ALA 79 Cb -0.09 -0.83 -0.04 0.00 0.00 0.00 0.00 23.12 22.15 1isk s ALA 79 CO -0.06 -0.39 -0.14 -0.59 0.00 0.00 0.00 175.76 174.58 1isk s PHE 80 N 1.70 1.61 -0.12 0.00 -0.71 0.46 0.39 117.98 121.32 1isk s PHE 80 Ca 0.03 -0.59 0.02 0.00 -1.04 0.00 0.00 56.93 55.35 1isk s PHE 80 Cb -0.13 -0.77 -0.00 0.00 -1.21 0.00 0.00 43.02 40.91 1isk s PHE 80 CO -0.07 0.29 -0.19 0.00 -1.34 0.00 0.00 175.22 173.91 1isk s ALA 81 N -2.86 2.38 0.30 1.99 0.00 -0.48 0.38 121.76 123.47 1isk s ALA 81 Ca 0.19 -0.97 0.03 0.00 0.00 0.00 0.00 51.96 51.21 1isk s ALA 81 Cb -0.01 -1.03 -0.04 0.00 0.00 0.00 0.00 23.12 22.04 1isk s ALA 81 CO 0.05 0.19 0.14 -0.59 0.00 0.00 0.00 175.76 175.56 1isk s PHE 82 N 0.47 1.60 0.24 0.00 -0.71 -0.64 -3.51 117.98 115.42 1isk s PHE 82 Ca -0.13 -1.32 0.08 0.00 -1.04 0.00 0.00 56.93 54.52 1isk s PHE 82 Cb -0.17 -0.88 -0.04 0.00 -1.21 0.00 0.00 43.02 40.72 1isk s PHE 82 CO 0.05 -0.46 0.06 0.95 -1.34 0.00 0.00 175.22 174.48 1isk s THR 83 N -3.62 3.83 -0.15 -4.49 -4.23 0.89 -2.43 115.64 105.44 1isk s THR 83 Ca 0.36 -1.65 -0.04 0.00 -1.18 0.00 0.00 61.69 59.18 1isk s THR 83 Cb 0.06 -3.03 0.07 0.00 1.34 0.00 0.00 72.50 70.93 1isk s THR 83 CO 0.16 -0.31 0.18 0.68 -0.54 0.00 0.00 174.62 174.79 1isk s VAL 84 N -2.14 -0.26 -0.24 2.29 -7.23 0.37 -1.42 120.40 111.77 1isk s VAL 84 Ca 0.31 0.05 -0.12 0.00 -1.81 0.00 0.00 61.98 60.41 1isk s VAL 84 Cb -0.07 -0.52 -0.05 0.00 0.56 0.00 0.00 36.38 36.30 1isk s VAL 84 CO 0.21 -0.08 0.25 -0.44 -0.31 0.00 0.00 175.10 174.73 1isk s SER 85 N 2.28 6.20 0.40 4.85 0.01 -0.45 -0.74 113.70 126.24 1isk s SER 85 Ca 0.05 0.22 0.08 0.00 1.31 0.00 0.00 55.95 57.60 1isk s SER 85 Cb -0.14 -2.15 -0.07 0.00 0.21 0.00 0.00 66.02 63.87 1isk s SER 85 CO -0.09 -0.02 0.04 -0.36 0.41 0.00 0.00 173.24 173.22 1isk s PHE 86 N 1.34 2.53 -0.13 2.43 0.40 -0.07 -0.05 117.98 124.44 1isk s PHE 86 Ca 0.11 -0.60 -0.08 0.00 -0.60 0.00 0.00 56.93 55.76 1isk s PHE 86 Cb -0.14 -1.75 0.05 0.00 0.51 0.00 0.00 43.02 41.68 1isk s PHE 86 CO 0.07 0.40 0.31 -2.00 0.70 0.00 0.00 175.22 174.70 1isk s GLU 87 N -3.75 0.29 -0.61 0.44 2.12 -1.26 -1.25 118.70 114.69 1isk s GLU 87 Ca 0.36 0.60 0.05 0.00 0.36 0.00 0.00 54.97 56.34 1isk s GLU 87 Cb 0.07 -0.04 0.18 0.00 0.26 0.00 0.00 34.13 34.60 1isk s GLU 87 CO 0.19 -0.14 0.47 0.98 -0.54 0.00 0.00 175.26 176.23 1isk n TYR 88 N 4.00 1.98 -3.41 5.30 4.19 0.70 -4.90 117.16 125.03 1isk n TYR 88 Ca -0.22 -3.99 -0.35 0.00 3.31 0.00 0.00 57.90 56.65 1isk n TYR 88 Cb 0.55 -0.36 0.03 0.00 0.49 0.00 0.00 39.34 40.05 1isk n TYR 88 CO 0.00 0.00 0.00 0.00 0.91 0.00 0.00 176.86 177.77 1isk n GLN 89 N 2.09 -1.73 0.00 2.98 10.64 -1.26 -1.33 117.38 128.78 1isk n GLN 89 Ca 0.24 1.20 0.00 0.00 -1.83 0.00 0.00 57.00 56.61 1isk n GLN 89 Cb 0.40 -1.89 0.00 0.00 -0.86 0.00 0.00 30.24 27.89 1isk n GLN 89 CO 0.00 0.00 0.00 0.41 -1.83 0.00 0.00 177.06 175.64 1isk n GLY 90 N -0.42 2.97 3.91 2.61 0.00 -1.26 -5.03 105.19 107.97 1isk n GLY 90 Ca -0.12 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.63 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 -0.12 3.53 -0.10 1.61 3.52 -0.44 -4.68 118.95 122.27 1isk s ARG 91 Ca 0.00 0.14 -0.23 0.00 -0.13 0.00 0.00 55.73 55.51 1isk s ARG 91 Cb 0.00 -2.40 0.05 0.00 -1.56 0.00 0.00 34.95 31.04 1isk s ARG 91 CO 0.00 -0.17 0.56 0.21 -0.81 0.00 0.00 175.30 175.08 1isk s LYS 92 N -4.70 0.83 0.12 5.12 2.20 0.06 -0.21 119.74 123.16 1isk s LYS 92 Ca 0.47 0.35 -0.00 0.00 -0.36 0.00 0.00 55.97 56.43 1isk s LYS 92 Cb -0.10 0.39 -0.04 0.00 -1.51 0.00 0.00 37.83 36.57 1isk s LYS 92 CO 0.44 -0.21 0.02 0.99 -0.36 0.00 0.00 175.35 176.23 1isk s THR 93 N -0.68 0.32 -0.40 3.43 2.01 -0.38 -0.45 115.64 119.49 1isk s THR 93 Ca -0.08 -1.91 0.03 0.00 0.31 0.00 0.00 61.69 60.05 1isk s THR 93 Cb -0.03 -1.93 0.16 0.00 0.01 0.00 0.00 72.50 70.71 1isk s THR 93 CO 0.05 -0.60 0.38 -0.69 -0.69 0.00 0.00 174.62 173.07 1isk s VAL 94 N -3.89 -0.10 0.20 3.82 1.01 0.19 -0.89 120.40 120.75 1isk s VAL 94 Ca 0.20 -1.73 -0.18 0.00 0.00 0.00 0.00 61.98 60.27 1isk s VAL 94 Cb 0.07 -0.86 -0.08 0.00 0.00 0.00 0.00 36.38 35.51 1isk s VAL 94 CO -0.00 -0.82 0.67 -0.69 0.00 0.00 0.00 175.10 174.26 1isk s VAL 95 N 0.78 4.67 -0.61 2.92 1.01 0.08 -0.68 120.40 128.58 1isk s VAL 95 Ca 0.25 1.12 0.06 0.00 0.00 0.00 0.00 61.98 63.41 1isk s VAL 95 Cb -0.08 -3.81 0.24 0.00 0.00 0.00 0.00 36.38 32.73 1isk s VAL 95 CO -0.09 0.20 0.67 0.00 0.00 0.00 0.00 175.10 175.89 1isk n ALA 96 N 0.70 3.73 -1.56 5.51 0.00 0.35 0.14 120.51 129.38 1isk n ALA 96 Ca -0.03 -4.51 -0.30 0.00 0.00 0.00 0.00 53.44 48.60 1isk n ALA 96 Cb 0.51 -0.90 0.09 0.00 0.00 0.00 0.00 19.45 19.15 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 -2.10 2.19 -0.21 0.00 0.04 -1.02 -4.74 135.00 129.16 1isk s PRO 97 Ca 0.37 0.68 0.01 0.00 0.04 0.00 0.00 61.00 62.10 1isk s PRO 97 Cb 0.12 -1.93 0.04 0.00 0.04 0.00 0.00 34.50 32.78 1isk s PRO 97 CO -0.05 -1.55 -0.11 0.42 0.04 0.00 0.00 177.00 175.74 1isk s ILE 98 N -3.14 1.76 0.41 0.56 1.01 -0.50 -1.62 121.20 119.67 1isk s ILE 98 Ca 0.60 -1.11 -0.18 0.00 0.00 0.00 0.00 60.65 59.96 1isk s ILE 98 Cb -0.14 -1.82 -0.10 0.00 0.01 0.00 0.00 42.46 40.41 1isk s ILE 98 CO 0.54 0.16 0.89 -1.81 0.00 0.00 0.00 174.94 174.72 1isk s ASP 99 N 1.34 6.83 -0.33 3.58 1.01 0.16 0.41 116.67 129.67 1isk s ASP 99 Ca -0.02 1.53 0.02 0.00 0.71 0.00 0.00 52.55 54.79 1isk s ASP 99 Cb -0.17 -2.48 0.15 0.00 1.01 0.00 0.00 42.92 41.44 1isk s ASP 99 CO -0.08 -0.35 0.37 -2.28 0.21 0.00 0.00 175.17 173.05 1isk s HIS 100 N -2.19 -0.57 0.29 4.23 5.65 0.67 -0.40 115.29 122.97 1isk s HIS 100 Ca 0.59 -0.34 -0.07 0.00 0.25 0.00 0.00 55.06 55.49 1isk s HIS 100 Cb -0.09 -0.33 -0.06 0.00 -1.18 0.00 0.00 32.58 30.91 1isk s HIS 100 CO 0.17 -0.97 0.58 -0.06 -0.65 0.00 0.00 174.74 173.81 1isk s PHE 101 N 1.96 3.47 -0.20 3.88 0.08 0.70 -0.96 117.98 126.90 1isk s PHE 101 Ca 0.13 0.74 0.00 0.00 0.12 0.00 0.00 56.93 57.92 1isk s PHE 101 Cb -0.14 -2.18 0.05 0.00 -0.57 0.00 0.00 43.02 40.18 1isk s PHE 101 CO -0.18 0.16 -0.07 -0.98 -0.10 0.00 0.00 175.22 174.05 1isk s ARG 102 N -3.43 1.70 0.37 0.44 3.03 -0.50 -1.34 118.95 119.22 1isk s ARG 102 Ca 0.46 -0.80 -0.13 0.00 2.03 0.00 0.00 55.73 57.28 1isk s ARG 102 Cb -0.11 -2.37 -0.08 0.00 -1.03 0.00 0.00 34.95 31.36 1isk s ARG 102 CO 0.28 -0.50 0.76 -0.06 -1.13 0.00 0.00 175.30 174.66 1isk s PHE 103 N 1.47 3.42 0.00 5.89 0.40 0.41 -3.63 117.98 125.93 1isk s PHE 103 Ca -0.02 1.15 0.00 0.00 -0.60 0.00 0.00 56.93 57.45 1isk s PHE 103 Cb -0.17 -2.50 0.00 0.00 0.51 0.00 0.00 43.02 40.86 1isk s PHE 103 CO -0.07 -0.01 0.00 0.09 0.70 0.00 0.00 175.22 175.92 1isk n ASN 104 N -0.83 0.00 0.00 1.36 3.02 -0.09 -4.74 115.26 113.98 1isk n ASN 104 Ca 0.03 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.58 1isk n ASN 104 Cb 0.54 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.71 1isk n ASN 104 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1isk n GLY 105 N 0.00 1.91 1.42 7.41 0.00 -1.17 0.18 105.19 114.94 1isk n GLY 105 Ca 0.00 0.09 0.07 0.00 0.00 0.00 0.00 46.02 46.18 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 6.26 3.17 0.00 4.61 0.00 -1.26 -4.74 120.51 128.55 1isk n ALA 106 Ca 0.00 -1.34 0.00 0.00 0.00 0.00 0.00 53.44 52.10 1isk n ALA 106 Cb 0.00 -1.05 0.00 0.00 0.00 0.00 0.00 19.45 18.40 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 0.84 1.00 0.00 0.00 0.00 0.48 -5.13 105.19 102.37 1isk n GLY 107 Ca 0.21 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.23 1isk n GLY 107 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1isk n LYS 108 N 0.00 -2.27 -2.21 1.61 3.00 -0.27 -4.94 118.16 113.08 1isk n LYS 108 Ca 0.00 0.00 -0.43 0.00 -0.00 0.00 0.00 58.31 57.88 1isk n LYS 108 Cb 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 35.03 35.01 1isk n LYS 108 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.40 177.48 1isk s VAL 109 N -2.42 3.90 0.00 3.15 1.01 -1.26 -0.92 120.40 123.87 1isk s VAL 109 Ca 0.00 1.07 0.00 0.00 0.00 0.00 0.00 61.98 63.05 1isk s VAL 109 Cb 0.00 -3.77 0.00 0.00 0.00 0.00 0.00 36.38 32.61 1isk s VAL 109 CO 0.00 -0.18 0.56 0.52 0.00 0.00 0.00 175.10 176.01 1isk n VAL 110 N 5.72 0.32 -3.53 2.92 0.31 -1.25 -1.76 118.33 121.06 1isk n VAL 110 Ca 0.16 -0.45 -0.16 0.00 -0.01 0.00 0.00 64.34 63.88 1isk n VAL 110 Cb 0.44 1.03 -0.05 0.00 -0.91 0.00 0.00 33.84 34.35 1isk n VAL 110 CO 0.00 0.00 0.00 -0.94 -1.32 0.00 0.00 176.83 174.57 1isk s SER 111 N -0.32 -0.58 -0.21 4.52 1.04 -1.24 -0.61 113.70 116.30 1isk s SER 111 Ca 0.00 0.59 -0.28 0.00 0.48 0.00 0.00 55.95 56.74 1isk s SER 111 Cb 0.00 0.49 0.14 0.00 0.10 0.00 0.00 66.02 66.74 1isk s SER 111 CO 0.00 -0.57 1.06 0.00 0.98 0.00 0.00 173.24 174.71 1isk s MET 112 N -1.38 0.49 0.27 4.02 0.23 0.33 -1.40 119.30 121.86 1isk s MET 112 Ca -0.08 0.25 0.04 0.00 -1.03 0.00 0.00 55.69 54.87 1isk s MET 112 Cb -0.00 0.23 -0.06 0.00 -1.53 0.00 0.00 34.83 33.48 1isk s MET 112 CO 0.06 -0.13 0.01 1.03 -2.03 0.00 0.00 175.02 173.96 1isk s ARG 113 N -0.67 1.47 -0.27 3.16 0.52 -0.13 0.65 118.95 123.68 1isk s ARG 113 Ca 0.01 -1.77 -0.01 0.00 -0.52 0.00 0.00 55.73 53.44 1isk s ARG 113 Cb -0.02 -0.78 0.08 0.00 0.52 0.00 0.00 34.95 34.75 1isk s ARG 113 CO -0.02 -0.10 0.06 0.00 0.02 0.00 0.00 175.30 175.26 1isk s ALA 114 N -3.31 1.41 -0.94 2.13 0.00 -0.30 -0.24 121.76 120.52 1isk s ALA 114 Ca 0.31 -1.33 -0.24 0.00 0.00 0.00 0.00 51.96 50.70 1isk s ALA 114 Cb 0.06 -1.46 0.04 0.00 0.00 0.00 0.00 23.12 21.76 1isk s ALA 114 CO 0.11 -1.46 1.43 -0.51 0.00 0.00 0.00 175.76 175.33 1isk s LEU 115 N 1.67 3.40 -0.86 0.00 1.02 0.17 -4.08 118.68 120.00 1isk s LEU 115 Ca 0.05 -1.14 0.00 0.00 0.02 0.00 0.00 54.13 53.06 1isk s LEU 115 Cb -0.17 -2.57 0.21 0.00 0.02 0.00 0.00 46.19 43.68 1isk s LEU 115 CO -0.18 -1.66 0.74 0.33 0.02 0.00 0.00 176.35 175.60 1isk n PHE 116 N 9.27 3.98 -0.61 0.29 7.35 -1.26 -1.41 117.46 135.06 1isk n PHE 116 Ca 0.25 -4.15 -0.12 0.00 -0.76 0.00 0.00 57.45 52.67 1isk n PHE 116 Cb 0.50 -1.01 0.10 0.00 0.35 0.00 0.00 39.48 39.42 1isk n PHE 116 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 1isk n GLY 117 N 2.16 -2.80 2.83 7.13 0.00 -1.26 -4.84 105.19 108.41 1isk n GLY 117 Ca 0.22 -1.43 -0.31 0.00 0.00 0.00 0.00 46.02 44.50 1isk n GLY 117 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 1isk n GLU 118 N -2.98 3.74 -1.61 1.61 -0.00 -1.26 -4.56 120.64 115.58 1isk n GLU 118 Ca 0.06 -4.75 -0.04 0.00 -0.00 0.00 0.00 57.16 52.43 1isk n GLU 118 Cb 0.24 -2.29 0.00 0.00 -0.00 0.00 0.00 31.44 29.39 1isk n GLU 118 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.13 178.30 1isk n LYS 119 N -0.24 0.47 -1.02 3.44 4.81 -1.26 -4.90 118.16 119.46 1isk n LYS 119 Ca 0.36 -1.27 -0.06 0.00 -0.87 0.00 0.00 58.31 56.47 1isk n LYS 119 Cb 0.38 0.34 -0.06 0.00 0.02 0.00 0.00 35.03 35.71 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 -0.43 -0.88 -4.56 3.14 3.02 -1.26 -5.09 115.26 109.20 1isk n ASN 120 Ca -0.20 -1.99 -0.34 0.00 -0.03 0.00 0.00 54.58 52.02 1isk n ASN 120 Cb 0.80 0.26 -0.11 0.00 -0.61 0.00 0.00 39.78 40.12 1isk n ASN 120 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 1isk s ILE 121 N 0.00 3.77 -0.46 2.41 1.09 -1.26 -0.50 121.20 126.25 1isk s ILE 121 Ca 0.02 -0.44 0.03 0.00 -1.10 0.00 0.00 60.65 59.16 1isk s ILE 121 Cb 0.02 -2.58 0.13 0.00 -1.06 0.00 0.00 42.46 38.97 1isk s ILE 121 CO -0.01 0.57 0.23 -1.00 -0.10 0.00 0.00 174.94 174.63 1isk s HIS 122 N -0.48 2.65 0.24 3.97 3.76 0.15 -4.95 115.29 120.63 1isk s HIS 122 Ca 0.07 -2.79 -0.07 0.00 -0.15 0.00 0.00 55.06 52.13 1isk s HIS 122 Cb -0.12 -2.39 -0.06 0.00 1.11 0.00 0.00 32.58 31.12 1isk s HIS 122 CO 0.02 -0.78 0.52 0.00 -0.85 0.00 0.00 174.74 173.65 1isk s ALA 123 N 0.15 3.63 0.00 -1.40 0.00 -1.26 0.55 121.76 123.43 1isk s ALA 123 Ca 0.16 -0.45 0.00 0.00 0.00 0.00 0.00 51.96 51.67 1isk s ALA 123 Cb -0.24 -2.32 0.00 0.00 0.00 0.00 0.00 23.12 20.55 1isk s ALA 123 CO -0.02 0.41 0.00 0.41 0.00 0.00 0.00 175.76 176.56 1isk n GLY 124 N -0.48 -1.02 0.00 0.00 0.00 0.40 -4.97 105.19 99.12 1isk n GLY 124 Ca -0.01 -1.02 0.00 0.00 0.00 0.00 0.00 46.02 44.99 1isk n GLY 124 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32