#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1i5n h ILE 5 N 0.00 0.55 0.00 2.12 2.10 -2.03 1.00 117.51 121.25 1i5n h ILE 5 Ca 0.00 0.00 -0.01 0.00 1.08 0.00 0.00 64.86 65.93 1i5n h ILE 5 Cb 0.00 0.67 -0.00 0.00 -1.09 0.00 0.00 36.82 36.40 1i5n h ILE 5 CO 0.00 0.00 -0.05 0.77 -1.08 0.00 0.00 178.15 177.79 1i5n h SER 6 N 0.00 0.00 0.15 2.19 4.64 -2.02 -1.47 113.55 117.03 1i5n h SER 6 Ca 0.26 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.58 1i5n h SER 6 Cb 1.15 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.24 1i5n h SER 6 CO -0.00 0.05 0.00 0.47 -0.87 0.00 0.00 176.83 176.48 1i5n n ASP 7 N -3.62 0.00 -0.21 4.97 10.43 0.34 -2.05 116.55 126.41 1i5n n ASP 7 Ca -0.02 0.44 0.05 0.00 2.57 0.00 0.00 54.79 57.82 1i5n n ASP 7 Cb 0.16 -0.45 -0.00 0.00 1.84 0.00 0.00 41.12 42.66 1i5n n ASP 7 CO 0.00 0.00 0.00 0.49 -1.07 0.00 0.00 177.20 176.62 1i5n n PHE 8 N -1.45 0.00 0.05 1.24 3.01 -0.55 -4.73 117.46 115.02 1i5n n PHE 8 Ca 0.01 0.00 -0.11 0.00 1.01 0.00 0.00 57.45 58.36 1i5n n PHE 8 Cb 0.05 0.00 -0.06 0.00 -0.01 0.00 0.00 39.48 39.46 1i5n n PHE 8 CO 0.00 0.00 0.00 1.88 1.01 0.00 0.00 176.76 179.65 1i5n h TYR 9 N 1.05 -0.17 -0.92 1.38 0.99 -1.52 -3.23 116.97 114.55 1i5n h TYR 9 Ca 0.00 0.01 0.21 0.00 2.00 0.00 0.00 58.73 60.94 1i5n h TYR 9 Cb 0.32 0.07 -0.12 0.00 1.00 0.00 0.00 36.73 38.01 1i5n h TYR 9 CO 0.00 -0.10 0.48 0.37 -0.00 0.00 0.00 178.16 178.90 1i5n h GLN 10 N -0.12 0.52 -0.57 4.88 5.75 -1.85 0.03 115.11 123.75 1i5n h GLN 10 Ca 0.02 -0.03 -0.05 0.00 -0.15 0.00 0.00 58.65 58.44 1i5n h GLN 10 Cb 0.15 -0.12 -0.02 0.00 1.07 0.00 0.00 27.48 28.56 1i5n h GLN 10 CO -0.06 0.35 0.14 1.15 -2.65 0.00 0.00 178.83 177.76 1i5n h THR 11 N 0.54 1.25 -0.34 2.39 2.02 -1.90 -1.65 112.91 115.21 1i5n h THR 11 Ca 0.56 -0.88 -0.03 0.00 0.77 0.00 0.00 66.41 66.83 1i5n h THR 11 Cb 0.99 0.73 -0.01 0.00 -1.74 0.00 0.00 68.15 68.11 1i5n h THR 11 CO -0.46 0.33 0.09 0.15 0.37 0.00 0.00 175.52 176.00 1i5n h PHE 12 N 0.81 0.56 -0.83 3.16 3.04 -1.22 -0.91 116.94 121.55 1i5n h PHE 12 Ca 0.18 -0.06 0.09 0.00 3.98 0.00 0.00 57.97 62.16 1i5n h PHE 12 Cb 0.34 -0.16 -0.07 0.00 2.56 0.00 0.00 35.95 38.62 1i5n h PHE 12 CO 0.02 0.56 0.48 0.74 -2.02 0.00 0.00 178.31 178.10 1i5n h PHE 13 N 0.39 0.88 -0.11 0.41 0.05 -0.86 0.42 116.94 118.12 1i5n h PHE 13 Ca 0.11 0.03 -0.01 0.00 3.82 0.00 0.00 57.97 61.91 1i5n h PHE 13 Cb 0.27 -0.27 -0.00 0.00 2.00 0.00 0.00 35.95 37.95 1i5n h PHE 13 CO 0.01 0.38 0.02 -0.44 -0.18 0.00 0.00 178.31 178.10 1i5n h ASP 14 N 0.83 0.17 -0.36 2.17 3.32 -1.04 -1.63 116.42 119.87 1i5n h ASP 14 Ca 0.39 -0.26 0.00 0.00 0.02 0.00 0.00 57.03 57.19 1i5n h ASP 14 Cb 0.32 -0.04 -0.02 0.00 0.22 0.00 0.00 39.33 39.81 1i5n h ASP 14 CO -0.23 0.38 0.24 -0.08 -1.72 0.00 0.00 179.24 177.83 1i5n h GLU 15 N -0.06 0.48 -0.83 3.56 4.81 -0.32 -2.60 114.58 119.63 1i5n h GLU 15 Ca 0.03 -0.03 -0.03 0.00 -0.13 0.00 0.00 59.36 59.20 1i5n h GLU 15 Cb 0.29 -0.11 -0.04 0.00 0.63 0.00 0.00 28.75 29.52 1i5n h GLU 15 CO 0.00 0.32 0.38 0.00 -0.73 0.00 0.00 179.01 178.98 1i5n h ALA 16 N 1.13 1.07 -0.67 2.92 0.00 -0.14 -0.08 119.26 123.49 1i5n h ALA 16 Ca 0.13 -0.17 0.03 0.00 0.00 0.00 0.00 54.91 54.90 1i5n h ALA 16 Cb -0.06 -0.33 -0.04 0.00 0.00 0.00 0.00 17.79 17.36 1i5n h ALA 16 CO -0.03 0.65 0.41 -0.44 0.00 0.00 0.00 179.25 179.84 1i5n h ASP 17 N 1.18 0.68 -0.19 0.00 3.32 -1.08 0.13 116.42 120.46 1i5n h ASP 17 Ca 0.28 0.00 -0.01 0.00 0.02 0.00 0.00 57.03 57.33 1i5n h ASP 17 Cb 0.14 -0.15 -0.01 0.00 0.22 0.00 0.00 39.33 39.54 1i5n h ASP 17 CO -0.03 0.47 0.09 -0.33 -1.72 0.00 0.00 179.24 177.72 1i5n h GLU 18 N 0.81 0.28 -0.55 3.56 4.39 -1.03 -0.90 114.58 121.13 1i5n h GLU 18 Ca 0.27 -0.04 -0.01 0.00 0.34 0.00 0.00 59.36 59.92 1i5n h GLU 18 Cb 0.02 -0.05 -0.03 0.00 -0.10 0.00 0.00 28.75 28.59 1i5n h GLU 18 CO -0.11 0.31 0.32 -0.07 -1.16 0.00 0.00 179.01 178.30 1i5n h LEU 19 N 0.18 0.68 -0.36 1.33 3.38 -0.63 -0.40 115.31 119.49 1i5n h LEU 19 Ca 0.07 -0.08 -0.00 0.00 0.09 0.00 0.00 57.88 57.96 1i5n h LEU 19 Cb 0.13 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 40.69 1i5n h LEU 19 CO -0.01 0.56 0.21 -0.07 0.09 0.00 0.00 178.44 179.22 1i5n h LEU 20 N 0.74 0.44 -0.45 1.67 3.38 -0.61 -2.61 115.31 117.88 1i5n h LEU 20 Ca 0.20 -0.06 0.05 0.00 0.09 0.00 0.00 57.88 58.15 1i5n h LEU 20 Cb 0.02 -0.11 -0.04 0.00 0.09 0.00 0.00 40.66 40.61 1i5n h LEU 20 CO -0.03 0.37 0.19 0.00 0.09 0.00 0.00 178.44 179.06 1i5n h ALA 21 N 1.09 0.55 0.00 1.53 0.00 -0.83 -0.51 119.26 121.09 1i5n h ALA 21 Ca 0.13 0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.08 1i5n h ALA 21 Cb 0.02 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.79 1i5n h ALA 21 CO -0.02 -0.18 0.00 -3.47 0.00 0.00 0.00 179.25 175.58 1i5n n ASP 22 N -4.96 0.42 0.00 0.00 2.03 -0.19 -2.71 116.55 111.14 1i5n n ASP 22 Ca 0.03 -0.35 0.00 0.00 0.52 0.00 0.00 54.79 55.00 1i5n n ASP 22 Cb 0.14 -0.09 0.00 0.00 -0.72 0.00 0.00 41.12 40.46 1i5n n ASP 22 CO 0.00 0.00 0.00 1.21 -1.92 0.00 0.00 177.20 176.49 1i5n n GLU 24 N 0.77 0.00 -0.27 -0.67 2.13 -0.20 -1.77 120.64 120.63 1i5n n GLU 24 Ca 0.00 0.00 -0.04 0.00 0.66 0.00 0.00 57.16 57.78 1i5n n GLU 24 Cb 0.07 0.00 0.07 0.00 0.27 0.00 0.00 31.44 31.85 1i5n n GLU 24 CO 0.00 0.00 0.00 0.37 -0.41 0.00 0.00 177.13 177.09 1i5n h GLN 25 N 0.00 0.98 -0.27 5.31 5.75 -1.79 0.22 115.11 125.31 1i5n h GLN 25 Ca 0.00 -0.06 -0.04 0.00 -0.15 0.00 0.00 58.65 58.40 1i5n h GLN 25 Cb 0.00 -0.22 -0.02 0.00 1.07 0.00 0.00 27.48 28.31 1i5n h GLN 25 CO 0.00 0.65 -0.01 0.45 -2.65 0.00 0.00 178.83 177.26 1i5n h HIS 26 N 1.01 0.42 -0.34 3.99 3.86 -1.64 -0.45 115.15 122.00 1i5n h HIS 26 Ca 0.28 -0.04 -0.17 0.00 -1.16 0.00 0.00 60.37 59.29 1i5n h HIS 26 Cb -0.09 -0.12 -0.00 0.00 1.06 0.00 0.00 27.41 28.25 1i5n h HIS 26 CO -0.02 0.44 -0.44 -0.07 0.86 0.00 0.00 177.93 178.70 1i5n h LEU 27 N 0.40 0.97 -1.56 2.43 3.38 -1.52 -2.80 115.31 116.60 1i5n h LEU 27 Ca 0.09 -0.49 -0.05 0.00 0.09 0.00 0.00 57.88 57.52 1i5n h LEU 27 Cb 0.29 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 40.76 1i5n h LEU 27 CO 0.01 1.27 -0.22 -0.07 0.09 0.00 0.00 178.44 179.52 1i5n h LEU 28 N 0.69 0.00 -0.43 1.67 3.38 -0.17 -2.43 115.31 118.01 1i5n h LEU 28 Ca 0.04 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.01 1i5n h LEU 28 Cb 1.04 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.79 1i5n h LEU 28 CO 0.10 0.22 -0.17 0.47 0.09 0.00 0.00 178.44 179.15 1i5n n ASP 29 N -4.28 0.84 -4.75 -0.43 8.00 -0.26 -4.93 116.55 110.76 1i5n n ASP 29 Ca -0.02 -0.83 -0.37 0.00 0.71 0.00 0.00 54.79 54.28 1i5n n ASP 29 Cb 0.28 0.04 0.04 0.00 -0.02 0.00 0.00 41.12 41.46 1i5n n ASP 29 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 1i5n s LEU 30 N -2.43 3.72 -0.25 0.64 1.43 -0.92 -5.02 118.68 115.86 1i5n s LEU 30 Ca 0.28 2.55 0.02 0.00 -1.03 0.00 0.00 54.13 55.95 1i5n s LEU 30 Cb 0.20 -4.48 0.06 0.00 0.03 0.00 0.00 46.19 41.99 1i5n s LEU 30 CO 0.48 -1.64 -0.10 -0.69 0.23 0.00 0.00 176.35 174.64 1i5n s VAL 31 N -1.45 1.94 0.00 -1.59 1.01 -1.26 -5.08 120.40 113.97 1i5n s VAL 31 Ca 0.76 -1.45 -0.05 0.00 0.00 0.00 0.00 61.98 61.24 1i5n s VAL 31 Cb -0.35 -2.08 -0.07 0.00 0.00 0.00 0.00 36.38 33.88 1i5n s VAL 31 CO 0.39 -0.02 0.62 -2.65 0.00 0.00 0.00 175.10 173.44 1i5n n PRO 32 N 4.52 0.00 -0.06 2.72 -0.02 -1.26 -5.04 135.00 135.86 1i5n n PRO 32 Ca -0.14 -0.21 -0.11 0.00 -2.02 0.00 0.00 63.50 61.02 1i5n n PRO 32 Cb 0.43 -1.33 -0.05 0.00 -0.02 0.00 0.00 33.50 32.54 1i5n n PRO 32 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1i5n n ALA 37 N 4.34 2.09 0.30 3.55 0.00 -1.26 -4.50 120.51 125.03 1i5n n ALA 37 Ca 0.08 -0.47 0.17 0.00 0.00 0.00 0.00 53.44 53.22 1i5n n ALA 37 Cb 0.21 0.32 0.96 0.00 0.00 0.00 0.00 19.45 20.94 1i5n n ALA 37 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 1i5n h GLU 38 N -0.30 0.00 0.00 0.00 5.08 -2.02 -1.06 114.58 116.28 1i5n h GLU 38 Ca -0.29 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.07 1i5n h GLU 38 Cb 1.30 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.55 1i5n h GLU 38 CO -0.14 0.02 -0.01 -0.56 -1.00 0.00 0.00 179.01 177.32 1i5n h GLN 39 N 0.00 0.00 0.00 2.33 3.07 -2.02 -1.60 115.11 116.88 1i5n h GLN 39 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.74 1i5n h GLN 39 Cb 0.06 0.00 0.00 0.00 0.08 0.00 0.00 27.48 27.62 1i5n h GLN 39 CO 0.00 0.01 -0.87 -0.07 0.09 0.00 0.00 178.83 177.99 1i5n h LEU 40 N 0.00 0.00 -0.33 0.06 3.38 -1.60 -3.41 115.31 113.40 1i5n h LEU 40 Ca -0.00 -0.01 0.06 0.00 0.09 0.00 0.00 57.88 58.03 1i5n h LEU 40 Cb 0.10 0.00 -0.08 0.00 0.09 0.00 0.00 40.66 40.77 1i5n h LEU 40 CO 0.00 0.00 -0.42 0.78 0.09 0.00 0.00 178.44 178.89 1i5n h ASN 41 N 0.00 -1.39 -1.01 -0.43 -0.26 -1.38 -1.67 115.58 109.45 1i5n h ASN 41 Ca 0.00 0.21 0.11 0.00 -0.56 0.00 0.00 56.30 56.05 1i5n h ASN 41 Cb 0.99 0.60 -0.08 0.00 -1.06 0.00 0.00 38.32 38.77 1i5n h ASN 41 CO 0.00 -0.38 0.64 0.00 -1.06 0.00 0.00 177.43 176.63 1i5n h ALA 42 N 0.34 1.49 -0.36 -0.83 0.00 -1.79 -0.09 119.26 118.03 1i5n h ALA 42 Ca 0.12 0.01 -0.04 0.00 0.00 0.00 0.00 54.91 55.00 1i5n h ALA 42 Cb 0.59 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 18.13 1i5n h ALA 42 CO -0.52 0.28 0.05 0.82 0.00 0.00 0.00 179.25 179.88 1i5n h ILE 43 N 1.04 1.24 -0.19 0.00 2.04 -1.63 -1.24 117.51 118.78 1i5n h ILE 43 Ca 0.48 -0.86 -0.01 0.00 1.00 0.00 0.00 64.86 65.47 1i5n h ILE 43 Cb 0.41 1.12 -0.01 0.00 -0.74 0.00 0.00 36.82 37.60 1i5n h ILE 43 CO -0.24 0.29 0.09 -0.26 0.00 0.00 0.00 178.15 178.03 1i5n h PHE 44 N 0.43 0.27 -0.36 1.37 0.04 -0.71 -1.07 116.94 116.90 1i5n h PHE 44 Ca 0.11 -0.01 0.07 0.00 2.80 0.00 0.00 57.97 60.94 1i5n h PHE 44 Cb 0.37 -0.08 -0.07 0.00 2.20 0.00 0.00 35.95 38.37 1i5n h PHE 44 CO 0.03 0.29 -0.10 -0.09 -0.60 0.00 0.00 178.31 177.84 1i5n h ARG 45 N 0.17 -0.01 -0.09 1.51 2.43 -0.94 0.35 114.38 117.80 1i5n h ARG 45 Ca 0.06 0.00 -0.00 0.00 -0.81 0.00 0.00 59.98 59.23 1i5n h ARG 45 Cb 0.12 0.00 -0.00 0.00 -0.42 0.00 0.00 29.97 29.67 1i5n h ARG 45 CO -0.01 -0.01 0.05 0.00 -1.51 0.00 0.00 179.97 178.50 1i5n h ALA 46 N 1.34 0.12 -0.41 2.80 0.00 -0.99 -1.92 119.26 120.20 1i5n h ALA 46 Ca 0.18 -0.04 0.03 0.00 0.00 0.00 0.00 54.91 55.07 1i5n h ALA 46 Cb 0.28 -0.04 -0.03 0.00 0.00 0.00 0.00 17.79 18.00 1i5n h ALA 46 CO -0.38 -0.35 0.20 0.00 0.00 0.00 0.00 179.25 178.72 1i5n h ALA 47 N 0.97 0.51 -0.25 0.00 0.00 -0.61 -0.64 119.26 119.23 1i5n h ALA 47 Ca 0.03 0.02 0.06 0.00 0.00 0.00 0.00 54.91 55.01 1i5n h ALA 47 Cb 0.06 -0.06 -0.06 0.00 0.00 0.00 0.00 17.79 17.74 1i5n h ALA 47 CO -0.01 -0.15 -0.12 1.25 0.00 0.00 0.00 179.25 180.22 1i5n h HIS 48 N 0.41 -0.27 -0.63 0.00 6.17 -0.12 0.15 115.15 120.86 1i5n h HIS 48 Ca 0.17 0.03 -0.02 0.00 0.71 0.00 0.00 60.37 61.26 1i5n h HIS 48 Cb 0.08 0.16 -0.03 0.00 2.52 0.00 0.00 27.41 30.14 1i5n h HIS 48 CO -0.10 -0.18 0.30 0.77 0.71 0.00 0.00 177.93 179.43 1i5n h SER 49 N -0.08 0.83 -0.39 3.26 0.02 -1.00 -0.60 113.55 115.59 1i5n h SER 49 Ca 0.13 -0.14 -0.02 0.00 -0.84 0.00 0.00 61.79 60.92 1i5n h SER 49 Cb 0.28 -0.21 -0.02 0.00 0.14 0.00 0.00 62.40 62.59 1i5n h SER 49 CO -0.30 0.73 0.16 0.40 -1.14 0.00 0.00 176.83 176.68 1i5n h ILE 50 N 0.87 1.19 -0.73 3.27 2.04 -0.53 -1.92 117.51 121.70 1i5n h ILE 50 Ca 0.22 -0.57 -0.06 0.00 1.00 0.00 0.00 64.86 65.45 1i5n h ILE 50 Cb 0.13 0.84 -0.03 0.00 -0.74 0.00 0.00 36.82 37.02 1i5n h ILE 50 CO -0.03 0.21 0.23 0.50 0.00 0.00 0.00 178.15 179.07 1i5n h LYS 51 N 0.48 1.13 0.31 2.37 3.64 -0.57 -0.54 116.57 123.40 1i5n h LYS 51 Ca 0.13 -0.24 -0.01 0.00 -1.27 0.00 0.00 60.65 59.26 1i5n h LYS 51 Cb 0.17 -0.16 -0.01 0.00 -0.41 0.00 0.00 32.23 31.82 1i5n h LYS 51 CO -0.01 0.96 -0.20 0.78 -2.27 0.00 0.00 179.45 178.71 1i5n h GLY 52 N 1.08 -0.52 1.38 5.01 0.00 -0.88 0.17 103.07 109.32 1i5n h GLY 52 Ca 0.24 0.22 -0.03 0.00 0.00 0.00 0.00 47.33 47.76 1i5n h GLY 52 CO -0.01 -0.20 0.23 -1.33 0.00 0.00 0.00 176.54 175.23 1i5n h GLY 53 N -0.50 0.85 1.05 4.60 0.00 -1.25 -1.20 103.07 106.62 1i5n h GLY 53 Ca -0.03 -0.42 -0.03 0.00 0.00 0.00 0.00 47.33 46.85 1i5n h GLY 53 CO 0.02 0.40 0.42 0.00 0.00 0.00 0.00 176.54 177.38 1i5n h ALA 54 N 1.47 1.12 -0.38 3.60 0.00 -0.64 -1.62 119.26 122.82 1i5n h ALA 54 Ca 0.19 -0.16 -0.15 0.00 0.00 0.00 0.00 54.91 54.79 1i5n h ALA 54 Cb 0.14 -0.34 -0.01 0.00 0.00 0.00 0.00 17.79 17.58 1i5n h ALA 54 CO -0.02 0.67 -0.36 0.78 0.00 0.00 0.00 179.25 180.32 1i5n h GLY 55 N 1.22 0.96 1.01 0.00 0.00 -0.45 0.84 103.07 106.66 1i5n h GLY 55 Ca 0.30 -0.96 -0.01 0.00 0.00 0.00 0.00 47.33 46.66 1i5n h GLY 55 CO -0.04 0.86 0.50 -0.84 0.00 0.00 0.00 176.54 177.03 1i5n h THR 56 N 0.73 1.23 -0.63 4.70 2.02 -0.78 -2.90 112.91 117.28 1i5n h THR 56 Ca 0.07 -0.52 0.00 0.00 0.77 0.00 0.00 66.41 66.73 1i5n h THR 56 Cb 0.93 0.06 0.00 0.00 -1.74 0.00 0.00 68.15 67.41 1i5n h THR 56 CO 0.09 0.25 0.00 0.49 0.37 0.00 0.00 175.52 176.71 1i5n n PHE 57 N -4.43 0.84 -2.28 3.16 3.01 -0.65 -4.96 117.46 112.15 1i5n n PHE 57 Ca 0.09 -0.42 -0.14 0.00 1.01 0.00 0.00 57.45 57.98 1i5n n PHE 57 Cb 0.06 0.00 -0.01 0.00 -0.01 0.00 0.00 39.48 39.53 1i5n n PHE 57 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1i5n n GLY 58 N 1.53 -0.21 2.79 1.37 0.00 -0.61 -4.91 105.19 105.15 1i5n n GLY 58 Ca 0.22 -0.29 -0.42 0.00 0.00 0.00 0.00 46.02 45.52 1i5n n GLY 58 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1i5n n PHE 59 N -4.02 3.16 -0.38 1.61 0.99 0.19 -4.84 117.46 114.17 1i5n n PHE 59 Ca -0.16 -2.87 -0.07 0.00 -0.00 0.00 0.00 57.45 54.35 1i5n n PHE 59 Cb 0.63 -2.20 -0.04 0.00 -1.00 0.00 0.00 39.48 36.86 1i5n n PHE 59 CO 0.00 0.00 0.00 1.15 -0.00 0.00 0.00 176.76 177.91 1i5n h THR 60 N 3.81 0.01 -0.31 4.37 2.02 -1.91 0.17 112.91 121.07 1i5n h THR 60 Ca 0.48 0.00 0.04 0.00 0.77 0.00 0.00 66.41 67.70 1i5n h THR 60 Cb 0.62 0.01 -0.04 0.00 -1.74 0.00 0.00 68.15 67.00 1i5n h THR 60 CO 1.74 0.00 0.08 0.40 0.37 0.00 0.00 175.52 178.10 1i5n h ILE 61 N -0.03 0.87 -0.47 3.11 2.04 -1.97 -0.12 117.51 120.94 1i5n h ILE 61 Ca 0.23 -0.07 -0.12 0.00 1.00 0.00 0.00 64.86 65.91 1i5n h ILE 61 Cb 0.50 0.66 -0.02 0.00 -0.74 0.00 0.00 36.82 37.22 1i5n h ILE 61 CO -0.93 0.04 -0.18 0.25 0.00 0.00 0.00 178.15 177.33 1i5n h LEU 62 N 0.19 0.92 -0.35 1.44 5.85 -1.75 -1.72 115.31 119.90 1i5n h LEU 62 Ca 0.14 -0.32 -0.01 0.00 0.84 0.00 0.00 57.88 58.53 1i5n h LEU 62 Cb 0.14 -0.25 -0.02 0.00 0.37 0.00 0.00 40.66 40.90 1i5n h LEU 62 CO -0.18 1.08 0.20 -0.61 -0.34 0.00 0.00 178.44 178.59 1i5n h GLN 63 N 0.80 0.49 -0.41 1.25 4.15 -0.14 -0.86 115.11 120.38 1i5n h GLN 63 Ca 0.12 -0.05 -0.14 0.00 0.77 0.00 0.00 58.65 59.34 1i5n h GLN 63 Cb 0.72 -0.10 -0.01 0.00 0.21 0.00 0.00 27.48 28.30 1i5n h GLN 63 CO 0.06 0.40 -0.31 1.49 -1.93 0.00 0.00 178.83 178.54 1i5n h GLU 64 N 0.45 0.91 -0.35 1.69 4.57 -0.99 -1.58 114.58 119.28 1i5n h GLU 64 Ca 0.12 -0.43 -0.01 0.00 -1.18 0.00 0.00 59.36 57.86 1i5n h GLU 64 Cb 0.05 -0.01 -0.02 0.00 -0.16 0.00 0.00 28.75 28.61 1i5n h GLU 64 CO -0.02 1.08 0.17 1.15 -1.18 0.00 0.00 179.01 180.22 1i5n h THR 65 N 0.76 1.16 -0.60 0.32 2.02 -1.16 -1.59 112.91 113.82 1i5n h THR 65 Ca 0.08 -0.44 -0.07 0.00 0.77 0.00 0.00 66.41 66.75 1i5n h THR 65 Cb 0.88 0.81 -0.03 0.00 -1.74 0.00 0.00 68.15 68.07 1i5n h THR 65 CO 0.08 0.17 0.10 0.74 0.37 0.00 0.00 175.52 176.98 1i5n h THR 66 N 0.43 1.25 -0.49 3.16 2.02 -1.07 -2.89 112.91 115.33 1i5n h THR 66 Ca 0.12 -0.96 -0.00 0.00 0.77 0.00 0.00 66.41 66.34 1i5n h THR 66 Cb 0.10 0.68 -0.02 0.00 -1.74 0.00 0.00 68.15 67.17 1i5n h THR 66 CO -0.02 0.36 0.29 -0.74 0.37 0.00 0.00 175.52 175.78 1i5n h HIS 67 N 0.91 0.65 0.00 3.16 6.17 -0.96 -0.80 115.15 124.28 1i5n h HIS 67 Ca 0.19 -0.01 0.00 0.00 0.71 0.00 0.00 60.37 61.26 1i5n h HIS 67 Cb 0.39 -0.21 0.00 0.00 2.52 0.00 0.00 27.41 30.11 1i5n h HIS 67 CO 0.03 0.46 0.00 1.28 0.71 0.00 0.00 177.93 180.41 1i5n n LEU 68 N -4.69 1.81 0.00 0.26 4.77 -0.63 -1.37 117.00 117.16 1i5n n LEU 68 Ca 0.02 -0.85 0.00 0.00 -0.03 0.00 0.00 56.01 55.15 1i5n n LEU 68 Cb 0.06 -0.35 0.00 0.00 -2.33 0.00 0.00 43.42 40.80 1i5n n LEU 68 CO 0.36 0.33 0.00 -0.62 -1.33 0.00 0.00 177.39 176.12 1i5n n GLU 70 N 1.21 0.00 -0.11 3.23 1.02 -0.31 -2.46 120.64 123.22 1i5n n GLU 70 Ca 0.00 0.00 -0.07 0.00 -0.02 0.00 0.00 57.16 57.07 1i5n n GLU 70 Cb 0.23 0.00 0.01 0.00 -0.02 0.00 0.00 31.44 31.66 1i5n n GLU 70 CO 0.00 0.00 0.00 -0.91 1.18 0.00 0.00 177.13 177.40 1i5n h ASN 71 N 0.00 0.25 -0.40 1.62 -0.26 -1.49 0.79 115.58 116.09 1i5n h ASN 71 Ca 0.00 0.02 -0.06 0.00 -0.56 0.00 0.00 56.30 55.71 1i5n h ASN 71 Cb 0.00 -0.02 -0.02 0.00 -1.06 0.00 0.00 38.32 37.22 1i5n h ASN 71 CO 0.00 0.19 0.03 0.25 -1.06 0.00 0.00 177.43 176.84 1i5n h LEU 72 N 0.37 0.67 -0.97 1.61 5.85 -1.77 -2.40 115.31 118.66 1i5n h LEU 72 Ca 0.16 -0.28 0.05 0.00 0.84 0.00 0.00 57.88 58.65 1i5n h LEU 72 Cb 0.08 -0.18 -0.06 0.00 0.37 0.00 0.00 40.66 40.87 1i5n h LEU 72 CO -0.12 0.79 0.63 -0.07 -0.34 0.00 0.00 178.44 179.32 1i5n h LEU 73 N 0.53 1.02 -1.35 2.25 3.38 -1.77 -1.10 115.31 118.27 1i5n h LEU 73 Ca 0.12 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 58.05 1i5n h LEU 73 Cb 0.42 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 40.94 1i5n h LEU 73 CO 0.01 0.67 -0.06 -0.78 0.09 0.00 0.00 178.44 178.37 1i5n h ASP 74 N 1.17 0.34 -0.73 -0.43 3.58 -0.56 0.57 116.42 120.35 1i5n h ASP 74 Ca 0.41 -0.06 -0.01 0.00 0.42 0.00 0.00 57.03 57.78 1i5n h ASP 74 Cb 0.11 -0.09 -0.04 0.00 1.72 0.00 0.00 39.33 41.03 1i5n h ASP 74 CO -0.16 0.45 0.40 -0.33 -2.88 0.00 0.00 179.24 176.73 1i5n h GLU 75 N 0.35 1.03 -0.16 0.28 4.39 -0.71 0.82 114.58 120.58 1i5n h GLU 75 Ca 0.07 -0.11 -0.15 0.00 0.34 0.00 0.00 59.36 59.51 1i5n h GLU 75 Cb 0.33 -0.21 0.00 0.00 -0.10 0.00 0.00 28.75 28.78 1i5n h GLU 75 CO 0.01 0.76 -0.49 0.00 -1.16 0.00 0.00 179.01 178.13 1i5n h ALA 76 N 1.41 0.28 -0.73 3.43 0.00 -1.02 -1.04 119.26 121.58 1i5n h ALA 76 Ca 0.26 -0.49 -0.02 0.00 0.00 0.00 0.00 54.91 54.66 1i5n h ALA 76 Cb 0.03 -0.03 -0.03 0.00 0.00 0.00 0.00 17.79 17.75 1i5n h ALA 76 CO -0.04 0.45 0.38 -0.09 0.00 0.00 0.00 179.25 179.94 1i5n h ARG 77 N 0.28 1.04 0.00 0.00 2.43 -0.44 -1.23 114.38 116.46 1i5n h ARG 77 Ca -0.01 -0.14 0.00 0.00 -0.81 0.00 0.00 59.98 59.02 1i5n h ARG 77 Cb 1.11 -0.20 0.00 0.00 -0.42 0.00 0.00 29.97 30.47 1i5n h ARG 77 CO 0.10 0.80 0.00 0.54 -1.51 0.00 0.00 179.97 179.90 1i5n n ARG 78 N -4.43 0.71 -0.98 0.20 1.74 0.24 -4.86 116.66 109.27 1i5n n ARG 78 Ca 0.06 0.01 0.00 0.00 -0.77 0.00 0.00 57.85 57.15 1i5n n ARG 78 Cb 0.11 -1.50 0.00 0.00 -1.02 0.00 0.00 32.46 30.05 1i5n n ARG 78 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1i5n n GLY 79 N 0.52 0.38 1.01 -0.13 0.00 -0.47 -5.07 105.19 101.43 1i5n n GLY 79 Ca 0.17 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.18 1i5n n GLY 79 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1i5n n GLU 80 N -1.71 1.11 -4.11 1.61 1.02 -0.41 -5.01 120.64 113.15 1i5n n GLU 80 Ca 0.00 -0.21 -0.17 0.00 -0.02 0.00 0.00 57.16 56.76 1i5n n GLU 80 Cb 0.14 -1.15 -0.15 0.00 -0.02 0.00 0.00 31.44 30.26 1i5n n GLU 80 CO 0.00 0.00 0.00 -1.14 1.18 0.00 0.00 177.13 177.17 1i5n s GLN 82 N -0.36 0.48 0.23 3.49 2.00 -1.26 -4.72 119.66 119.52 1i5n s GLN 82 Ca 0.04 -0.11 -0.30 0.00 -2.00 0.00 0.00 55.36 52.99 1i5n s GLN 82 Cb 0.03 -0.51 -0.09 0.00 0.80 0.00 0.00 33.01 33.24 1i5n s GLN 82 CO 0.01 0.02 0.99 -0.51 -0.50 0.00 0.00 175.29 175.30 1i5n s LEU 83 N 0.34 4.60 0.08 3.68 1.43 -1.26 -5.00 118.68 122.55 1i5n s LEU 83 Ca -0.04 2.02 -0.08 0.00 -1.03 0.00 0.00 54.13 55.00 1i5n s LEU 83 Cb -0.07 -3.61 -0.00 0.00 0.03 0.00 0.00 46.19 42.53 1i5n s LEU 83 CO -0.00 0.03 0.18 0.54 0.23 0.00 0.00 176.35 177.32 1i5n s ASN 84 N -0.88 0.14 0.45 2.29 2.20 -1.26 -4.71 114.94 113.18 1i5n s ASN 84 Ca 0.43 -0.66 0.22 0.00 -0.94 0.00 0.00 52.86 51.91 1i5n s ASN 84 Cb -0.27 0.33 1.21 0.00 -2.00 0.00 0.00 41.25 40.52 1i5n s ASN 84 CO 0.34 -0.72 1.85 0.71 -2.94 0.00 0.00 177.10 176.35 1i5n h THR 85 N 2.79 0.62 -0.55 0.54 1.35 -1.97 -0.52 112.91 115.18 1i5n h THR 85 Ca -0.34 -0.09 -0.12 0.00 -0.55 0.00 0.00 66.41 65.31 1i5n h THR 85 Cb 1.20 0.32 -0.02 0.00 -1.73 0.00 0.00 68.15 67.91 1i5n h THR 85 CO 0.56 0.05 -0.11 0.44 -0.25 0.00 0.00 175.52 176.21 1i5n h ASP 86 N 0.27 1.04 -0.47 5.36 3.32 -1.99 -0.67 116.42 123.29 1i5n h ASP 86 Ca 0.47 -0.35 -0.13 0.00 0.02 0.00 0.00 57.03 57.04 1i5n h ASP 86 Cb 1.39 -0.28 -0.01 0.00 0.22 0.00 0.00 39.33 40.65 1i5n h ASP 86 CO -0.14 1.15 -0.23 0.40 -1.72 0.00 0.00 179.24 178.71 1i5n h ILE 87 N 0.92 1.27 -0.31 0.35 2.04 -1.51 -2.05 117.51 118.22 1i5n h ILE 87 Ca 0.14 -1.39 -0.06 0.00 1.00 0.00 0.00 64.86 64.55 1i5n h ILE 87 Cb 0.69 1.15 -0.02 0.00 -0.74 0.00 0.00 36.82 37.90 1i5n h ILE 87 CO 0.05 0.48 -0.04 0.40 0.00 0.00 0.00 178.15 179.04 1i5n h ILE 88 N 0.84 1.20 -0.10 -0.67 2.04 -1.22 -1.57 117.51 118.04 1i5n h ILE 88 Ca 0.11 -0.84 -0.12 0.00 1.00 0.00 0.00 64.86 65.00 1i5n h ILE 88 Cb 0.81 1.02 -0.01 0.00 -0.74 0.00 0.00 36.82 37.89 1i5n h ILE 88 CO 0.07 0.28 -0.48 0.78 0.00 0.00 0.00 178.15 178.80 1i5n h ASN 89 N 0.47 0.27 -0.19 1.72 2.35 -0.84 0.32 115.58 119.69 1i5n h ASN 89 Ca 0.10 -0.13 -0.03 0.00 -0.55 0.00 0.00 56.30 55.69 1i5n h ASN 89 Cb 0.37 -0.08 -0.01 0.00 0.05 0.00 0.00 38.32 38.66 1i5n h ASN 89 CO 0.02 0.72 0.01 0.25 -1.65 0.00 0.00 177.43 176.78 1i5n h LEU 90 N 0.20 0.32 -0.87 1.61 5.85 -0.75 0.68 115.31 122.35 1i5n h LEU 90 Ca 0.01 -0.29 0.07 0.00 0.84 0.00 0.00 57.88 58.52 1i5n h LEU 90 Cb 0.93 -0.08 -0.07 0.00 0.37 0.00 0.00 40.66 41.81 1i5n h LEU 90 CO 0.08 0.52 0.54 -0.26 -0.34 0.00 0.00 178.44 178.98 1i5n h PHE 91 N 0.10 0.99 -0.24 1.25 0.05 -1.00 0.38 116.94 118.47 1i5n h PHE 91 Ca 0.06 0.03 -0.10 0.00 3.82 0.00 0.00 57.97 61.78 1i5n h PHE 91 Cb 0.35 -0.32 -0.01 0.00 2.00 0.00 0.00 35.95 37.97 1i5n h PHE 91 CO 0.03 0.48 -0.28 -0.07 -0.18 0.00 0.00 178.31 178.29 1i5n h LEU 92 N 0.96 0.47 -0.47 1.54 3.38 -0.66 -1.43 115.31 119.10 1i5n h LEU 92 Ca 0.39 -0.17 -0.14 0.00 0.09 0.00 0.00 57.88 58.05 1i5n h LEU 92 Cb 0.22 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 40.84 1i5n h LEU 92 CO -0.19 0.74 -0.30 -0.08 0.09 0.00 0.00 178.44 178.70 1i5n h GLU 93 N 0.41 0.95 -0.97 1.13 4.81 0.97 -2.67 114.58 119.19 1i5n h GLU 93 Ca 0.06 -0.45 0.00 0.00 -0.13 0.00 0.00 59.36 58.85 1i5n h GLU 93 Cb 0.70 -0.01 -0.05 0.00 0.63 0.00 0.00 28.75 30.02 1i5n h GLU 93 CO 0.05 1.11 0.62 1.15 -0.73 0.00 0.00 179.01 181.22 1i5n h THR 94 N 0.80 1.26 -0.65 0.32 2.02 0.16 -1.38 112.91 115.43 1i5n h THR 94 Ca 0.09 -0.50 -0.02 0.00 0.77 0.00 0.00 66.41 66.74 1i5n h THR 94 Cb 0.88 -0.16 -0.03 0.00 -1.74 0.00 0.00 68.15 67.10 1i5n h THR 94 CO 0.08 0.26 0.31 0.50 0.37 0.00 0.00 175.52 177.04 1i5n h LYS 95 N 1.33 0.94 -0.42 6.66 3.11 -1.13 -2.72 116.57 124.34 1i5n h LYS 95 Ca 0.35 -0.14 -0.01 0.00 -2.81 0.00 0.00 60.65 58.05 1i5n h LYS 95 Cb -0.12 -0.17 -0.02 0.00 -1.00 0.00 0.00 32.23 30.92 1i5n h LYS 95 CO -0.07 0.75 0.22 -0.44 -2.81 0.00 0.00 179.45 177.10 1i5n h ASP 96 N 0.90 0.53 0.00 4.20 3.45 -1.06 0.15 116.42 124.59 1i5n h ASP 96 Ca 0.22 -0.10 0.00 0.00 0.43 0.00 0.00 57.03 57.58 1i5n h ASP 96 Cb 0.12 -0.13 0.00 0.00 -0.56 0.00 0.00 39.33 38.75 1i5n h ASP 96 CO -0.03 0.48 0.00 -0.38 -1.57 0.00 0.00 179.24 177.74 1i5n n ILE 97 N -4.71 0.33 0.00 0.35 5.41 -0.58 -1.22 119.36 118.95 1i5n n ILE 97 Ca 0.00 -0.02 0.00 0.00 1.00 0.00 0.00 62.75 63.74 1i5n n ILE 97 Cb 0.09 -0.71 0.00 0.00 -0.71 0.00 0.00 39.64 38.31 1i5n n ILE 97 CO 0.00 0.00 0.00 1.67 0.00 0.00 0.00 176.55 178.22 1i5n n GLN 99 N 0.97 0.00 -0.19 0.38 -0.06 0.04 -0.65 117.38 117.87 1i5n n GLN 99 Ca 0.00 0.00 -0.04 0.00 -2.00 0.00 0.00 57.00 54.96 1i5n n GLN 99 Cb 0.15 0.00 0.15 0.00 -4.06 0.00 0.00 30.24 26.48 1i5n n GLN 99 CO 0.00 0.00 0.00 0.93 -0.20 0.00 0.00 177.06 177.79 1i5n h GLU 100 N 0.00 0.97 0.19 3.69 5.08 -1.42 0.13 114.58 123.22 1i5n h GLU 100 Ca 0.00 -0.18 -0.01 0.00 -1.00 0.00 0.00 59.36 58.17 1i5n h GLU 100 Cb 0.00 -0.15 0.00 0.00 0.50 0.00 0.00 28.75 29.10 1i5n h GLU 100 CO 0.00 0.82 -0.09 1.96 -1.00 0.00 0.00 179.01 180.70 1i5n h GLN 101 N 0.94 -0.24 -0.57 2.33 4.20 -1.14 -1.75 115.11 118.88 1i5n h GLN 101 Ca 0.21 0.02 0.09 0.00 0.06 0.00 0.00 58.65 59.03 1i5n h GLN 101 Cb 0.24 0.06 -0.07 0.00 0.30 0.00 0.00 27.48 28.01 1i5n h GLN 101 CO -0.01 -0.05 0.20 1.25 -0.67 0.00 0.00 178.83 179.55 1i5n h LEU 102 N -0.40 0.19 -1.07 1.46 5.85 -1.73 -1.61 115.31 118.00 1i5n h LEU 102 Ca -0.03 0.07 -0.00 0.00 0.84 0.00 0.00 57.88 58.77 1i5n h LEU 102 Cb 0.31 0.06 -0.04 0.00 0.37 0.00 0.00 40.66 41.35 1i5n h LEU 102 CO 0.04 0.13 0.55 0.44 -0.34 0.00 0.00 178.44 179.26 1i5n h ASP 103 N 0.38 1.04 -0.10 1.25 3.32 -0.82 -0.89 116.42 120.60 1i5n h ASP 103 Ca 0.28 -0.05 0.03 0.00 0.02 0.00 0.00 57.03 57.31 1i5n h ASP 103 Cb 0.34 -0.26 -0.03 0.00 0.22 0.00 0.00 39.33 39.59 1i5n h ASP 103 CO -0.29 0.78 -0.09 0.00 -1.72 0.00 0.00 179.24 177.92 1i5n h ALA 104 N 1.40 -0.01 -0.51 3.45 0.00 -0.38 -0.83 119.26 122.38 1i5n h ALA 104 Ca 0.32 0.04 0.06 0.00 0.00 0.00 0.00 54.91 55.33 1i5n h ALA 104 Cb -0.08 0.19 -0.03 0.00 0.00 0.00 0.00 17.79 17.87 1i5n h ALA 104 CO -0.06 -0.55 0.34 1.88 0.00 0.00 0.00 179.25 180.86 1i5n h TYR 105 N -0.11 0.45 0.00 0.00 0.99 -0.76 0.18 116.97 117.72 1i5n h TYR 105 Ca 0.07 0.01 -0.02 0.00 2.00 0.00 0.00 58.73 60.80 1i5n h TYR 105 Cb 0.21 -0.15 -0.00 0.00 1.00 0.00 0.00 36.73 37.79 1i5n h TYR 105 CO -0.21 0.25 -0.08 0.87 -0.00 0.00 0.00 178.16 178.99 1i5n h LYS 106 N 0.45 0.00 -0.63 4.88 1.57 0.19 -2.59 116.57 120.44 1i5n h LYS 106 Ca 0.22 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.00 1i5n h LYS 106 Cb 0.30 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.61 1i5n h LYS 106 CO -0.06 0.08 0.00 0.09 -0.57 0.00 0.00 179.45 178.99 1i5n n ASN 107 N -3.27 3.70 -1.91 0.86 3.02 -0.33 -4.91 115.26 112.40 1i5n n ASN 107 Ca -0.00 -2.01 -0.18 0.00 -0.03 0.00 0.00 54.58 52.36 1i5n n ASN 107 Cb 0.30 -0.42 -0.03 0.00 -0.61 0.00 0.00 39.78 39.02 1i5n n ASN 107 CO 0.00 0.00 0.00 -1.20 -2.62 0.00 0.00 177.26 173.44 1i5n n SER 108 N 1.34 -5.29 -4.90 6.41 7.64 -0.98 -4.99 113.62 112.86 1i5n n SER 108 Ca 0.21 0.10 -0.20 0.00 1.01 0.00 0.00 58.87 59.99 1i5n n SER 108 Cb 0.57 -4.36 -0.03 0.00 -1.01 0.00 0.00 64.21 59.39 1i5n n SER 108 CO 0.00 0.00 0.00 -1.61 -3.01 0.00 0.00 175.04 170.42 1i5n s GLU 109 N -4.56 2.80 -0.07 1.43 2.02 -0.10 -5.01 118.70 115.20 1i5n s GLU 109 Ca 0.00 -1.26 -0.14 0.00 0.02 0.00 0.00 54.97 53.59 1i5n s GLU 109 Cb 0.00 -2.56 -0.05 0.00 0.10 0.00 0.00 34.13 31.62 1i5n s GLU 109 CO 0.00 0.03 0.36 -2.00 0.02 0.00 0.00 175.26 173.66 1i5n s GLU 110 N -4.08 4.02 1.12 1.61 2.56 -1.26 -3.71 118.70 118.97 1i5n s GLU 110 Ca 0.44 0.27 -0.13 0.00 0.00 0.00 0.00 54.97 55.55 1i5n s GLU 110 Cb -0.07 -3.30 0.26 0.00 2.00 0.00 0.00 34.13 33.02 1i5n s GLU 110 CO 0.28 0.50 1.05 -1.25 -0.56 0.00 0.00 175.26 175.28 1i5n s PRO 111 N -0.40 -0.59 -0.26 4.30 0.04 -1.26 -4.93 135.00 131.90 1i5n s PRO 111 Ca 0.21 0.73 -0.29 0.00 0.04 0.00 0.00 61.00 61.69 1i5n s PRO 111 Cb -0.15 -1.60 0.01 0.00 0.04 0.00 0.00 34.50 32.80 1i5n s PRO 111 CO 0.09 -3.47 1.09 0.34 0.04 0.00 0.00 177.00 175.09 1i5n s ASP 112 N -2.79 6.99 0.19 6.66 2.15 -1.26 -4.94 116.67 123.67 1i5n s ASP 112 Ca 0.68 1.27 -0.08 0.00 0.43 0.00 0.00 52.55 54.85 1i5n s ASP 112 Cb -0.23 -2.54 0.10 0.00 -0.30 0.00 0.00 42.92 39.94 1i5n s ASP 112 CO 0.63 -0.79 1.65 0.00 -0.17 0.00 0.00 175.17 176.48 1i5n h ALA 113 N 7.89 0.85 -0.35 3.66 0.00 -1.99 -2.38 119.26 126.94 1i5n h ALA 113 Ca -0.21 -0.32 0.00 0.00 0.00 0.00 0.00 54.91 54.38 1i5n h ALA 113 Cb 1.07 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 18.62 1i5n h ALA 113 CO 1.00 0.66 0.22 0.00 0.00 0.00 0.00 179.25 181.14 1i5n h ALA 114 N 1.01 0.44 -0.59 0.00 0.00 -2.00 0.24 119.26 118.37 1i5n h ALA 114 Ca 0.16 -0.04 -0.08 0.00 0.00 0.00 0.00 54.91 54.95 1i5n h ALA 114 Cb 0.58 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.21 1i5n h ALA 114 CO 0.03 -0.08 0.04 0.77 0.00 0.00 0.00 179.25 180.01 1i5n h SER 115 N 0.46 0.97 0.44 0.00 0.02 -1.97 -1.61 113.55 111.87 1i5n h SER 115 Ca 0.13 -0.25 -0.02 0.00 -0.84 0.00 0.00 61.79 60.81 1i5n h SER 115 Cb -0.03 -0.26 0.00 0.00 0.14 0.00 0.00 62.40 62.26 1i5n h SER 115 CO -0.03 1.00 -0.21 0.15 -1.14 0.00 0.00 176.83 176.60 1i5n h PHE 116 N 0.93 -0.55 -0.78 3.45 3.57 -1.03 -0.80 116.94 121.73 1i5n h PHE 116 Ca 0.18 -0.01 -0.03 0.00 3.53 0.00 0.00 57.97 61.63 1i5n h PHE 116 Cb 0.49 0.18 -0.04 0.00 2.79 0.00 0.00 35.95 39.37 1i5n h PHE 116 CO 0.03 -0.34 0.36 0.93 -2.23 0.00 0.00 178.31 177.05 1i5n h GLU 117 N -0.60 1.13 -0.08 1.11 5.08 -0.89 -1.46 114.58 118.86 1i5n h GLU 117 Ca -0.06 -0.17 -0.00 0.00 -1.00 0.00 0.00 59.36 58.13 1i5n h GLU 117 Cb 0.46 -0.20 -0.00 0.00 0.50 0.00 0.00 28.75 29.50 1i5n h GLU 117 CO 0.10 0.88 0.05 -0.92 -1.00 0.00 0.00 179.01 178.12 1i5n h TYR 118 N 1.11 0.11 -0.37 4.33 5.03 -1.11 -1.77 116.97 124.30 1i5n h TYR 118 Ca 0.27 0.00 -0.15 0.00 2.58 0.00 0.00 58.73 61.43 1i5n h TYR 118 Cb 0.14 -0.04 -0.01 0.00 1.55 0.00 0.00 36.73 38.37 1i5n h TYR 118 CO 0.01 0.10 -0.37 0.97 -1.32 0.00 0.00 178.16 177.56 1i5n h ILE 119 N 0.08 1.28 -0.51 1.81 6.09 -0.96 -1.40 117.51 123.90 1i5n h ILE 119 Ca 0.03 -1.54 -0.04 0.00 -1.37 0.00 0.00 64.86 61.94 1i5n h ILE 119 Cb 0.02 1.38 -0.02 0.00 0.47 0.00 0.00 36.82 38.68 1i5n h ILE 119 CO -0.01 0.51 0.17 0.00 -3.07 0.00 0.00 178.15 175.75 1i5n h ASN 121 N 0.69 0.84 -0.43 0.00 2.35 -1.23 -0.32 115.58 117.47 1i5n h ASN 121 Ca 0.17 -0.22 -0.02 0.00 -0.55 0.00 0.00 56.30 55.68 1i5n h ASN 121 Cb 0.26 -0.22 -0.02 0.00 0.05 0.00 0.00 38.32 38.39 1i5n h ASN 121 CO -0.01 0.84 0.20 0.00 -1.65 0.00 0.00 177.43 176.81 1i5n h ALA 122 N 1.03 0.56 -0.58 -0.83 0.00 -0.95 -1.31 119.26 117.18 1i5n h ALA 122 Ca 0.18 -0.12 -0.06 0.00 0.00 0.00 0.00 54.91 54.91 1i5n h ALA 122 Cb 0.32 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.91 1i5n h ALA 122 CO -0.00 0.13 0.14 -0.07 0.00 0.00 0.00 179.25 179.45 1i5n h LEU 123 N 0.56 0.88 -0.37 0.00 3.38 -0.66 -2.80 115.31 116.29 1i5n h LEU 123 Ca 0.15 -0.23 -0.01 0.00 0.09 0.00 0.00 57.88 57.87 1i5n h LEU 123 Cb 0.13 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 40.63 1i5n h LEU 123 CO -0.02 0.89 0.18 0.03 0.09 0.00 0.00 178.44 179.61 1i5n h ARG 124 N 0.83 0.53 0.33 1.13 3.08 -0.90 -2.35 114.38 117.03 1i5n h ARG 124 Ca 0.18 -0.08 0.00 0.00 0.07 0.00 0.00 59.98 60.16 1i5n h ARG 124 Cb 0.35 -0.10 -0.03 0.00 0.08 0.00 0.00 29.97 30.28 1i5n h ARG 124 CO 0.00 0.47 -0.38 1.96 -1.07 0.00 0.00 179.97 180.95 1i5n h GLN 125 N 0.46 -0.72 -0.54 0.04 1.08 -1.14 0.34 115.11 114.63 1i5n h GLN 125 Ca 0.13 0.05 0.10 0.00 -1.45 0.00 0.00 58.65 57.47 1i5n h GLN 125 Cb 0.11 0.16 -0.08 0.00 -0.05 0.00 0.00 27.48 27.63 1i5n h GLN 125 CO -0.02 -0.48 0.11 -0.07 -0.95 0.00 0.00 178.83 177.42 1i5n h LEU 126 N -0.75 0.00 -1.44 1.46 3.38 -1.46 0.19 115.31 116.70 1i5n h LEU 126 Ca -0.02 0.10 -0.05 0.00 0.09 0.00 0.00 57.88 58.00 1i5n h LEU 126 Cb 0.69 0.13 -0.01 0.00 0.09 0.00 0.00 40.66 41.57 1i5n h LEU 126 CO -0.10 0.02 -0.25 0.00 0.09 0.00 0.00 178.44 178.20 1i5n h ALA 127 N 1.42 1.24 -0.21 1.53 0.00 -1.17 -1.61 119.26 120.47 1i5n h ALA 127 Ca 0.28 -0.23 -0.03 0.00 0.00 0.00 0.00 54.91 54.92 1i5n h ALA 127 Cb 0.38 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.13 1i5n h ALA 127 CO -0.36 0.32 -0.01 1.25 0.00 0.00 0.00 179.25 180.45 1i5n h LEU 128 N 0.00 0.36 -0.69 0.00 5.85 0.25 -2.52 115.31 118.57 1i5n h LEU 128 Ca -0.00 -0.32 -0.11 0.00 0.84 0.00 0.00 57.88 58.29 1i5n h LEU 128 Cb 0.58 -0.10 -0.02 0.00 0.37 0.00 0.00 40.66 41.49 1i5n h LEU 128 CO 0.03 0.59 -0.14 -0.33 -0.34 0.00 0.00 178.44 178.26 1i5n h GLU 129 N 0.13 0.87 0.00 1.25 3.07 -0.53 -3.32 114.58 116.05 1i5n h GLU 129 Ca 0.06 -0.32 0.00 0.00 -0.50 0.00 0.00 59.36 58.60 1i5n h GLU 129 Cb 0.41 -0.06 0.00 0.00 -0.84 0.00 0.00 28.75 28.26 1i5n h GLU 129 CO 0.01 0.95 0.00 0.00 -1.40 0.00 0.00 179.01 178.58 1i5n n ALA 130 N -2.50 -0.37 0.80 3.43 0.00 -0.64 -5.12 120.51 116.11 1i5n n ALA 130 Ca 0.01 0.00 0.06 0.00 0.00 0.00 0.00 53.44 53.52 1i5n n ALA 130 Cb 0.40 0.06 0.38 0.00 0.00 0.00 0.00 19.45 20.29 1i5n n ALA 130 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.50 177.86