#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1i5n h SER 6 N 0.00 -0.26 1.41 4.38 0.87 -2.03 -0.19 113.55 117.74 1i5n h SER 6 Ca 0.00 0.25 0.00 0.00 -1.23 0.00 0.00 61.79 60.81 1i5n h SER 6 Cb 0.00 0.39 0.00 0.00 -0.44 0.00 0.00 62.40 62.35 1i5n h SER 6 CO 0.00 -0.30 -0.14 0.44 -0.53 0.00 0.00 176.83 176.30 1i5n h ASP 7 N 0.07 0.00 -0.35 6.23 3.32 -2.09 -3.31 116.42 120.30 1i5n h ASP 7 Ca 0.60 -0.04 0.00 0.00 0.02 0.00 0.00 57.03 57.61 1i5n h ASP 7 Cb 1.26 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.81 1i5n h ASP 7 CO -0.81 0.02 0.00 0.49 -1.72 0.00 0.00 179.24 177.22 1i5n n PHE 8 N -2.35 0.46 0.08 4.55 3.01 -0.09 -4.32 117.46 118.80 1i5n n PHE 8 Ca 0.05 -0.23 -0.13 0.00 1.01 0.00 0.00 57.45 58.15 1i5n n PHE 8 Cb 0.45 0.00 -0.08 0.00 -0.01 0.00 0.00 39.48 39.84 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 2.74 -0.12 -0.63 1.38 0.99 -1.64 -2.46 116.97 117.23 1i5n h TYR 9 Ca 0.00 -0.00 -0.01 0.00 2.00 0.00 0.00 58.73 60.71 1i5n h TYR 9 Cb 0.62 0.04 -0.03 0.00 1.00 0.00 0.00 36.73 38.36 1i5n h TYR 9 CO 0.23 0.03 0.34 0.37 -0.00 0.00 0.00 178.16 179.13 1i5n h GLN 10 N -0.25 0.87 -0.43 4.88 5.75 -1.87 -1.62 115.11 122.44 1i5n h GLN 10 Ca -0.01 -0.09 -0.03 0.00 -0.15 0.00 0.00 58.65 58.37 1i5n h GLN 10 Cb 0.21 -0.17 -0.02 0.00 1.07 0.00 0.00 27.48 28.57 1i5n h GLN 10 CO 0.02 0.64 0.16 1.15 -2.65 0.00 0.00 178.83 178.15 1i5n h THR 11 N 0.88 1.21 -0.14 2.39 2.02 -1.78 -1.64 112.91 115.85 1i5n h THR 11 Ca 0.22 -0.66 -0.01 0.00 0.77 0.00 0.00 66.41 66.73 1i5n h THR 11 Cb 0.03 0.84 -0.01 0.00 -1.74 0.00 0.00 68.15 67.28 1i5n h THR 11 CO -0.04 0.24 0.04 0.15 0.37 0.00 0.00 175.52 176.28 1i5n h PHE 12 N 0.55 0.22 -0.69 3.16 3.04 -1.07 -0.67 116.94 121.48 1i5n h PHE 12 Ca 0.14 -0.02 -0.01 0.00 3.98 0.00 0.00 57.97 62.06 1i5n h PHE 12 Cb 0.22 -0.06 -0.03 0.00 2.56 0.00 0.00 35.95 38.63 1i5n h PHE 12 CO 0.01 0.34 0.40 0.74 -2.02 0.00 0.00 178.31 177.78 1i5n h PHE 13 N 0.03 0.92 0.01 0.41 0.05 -1.24 0.72 116.94 117.85 1i5n h PHE 13 Ca 0.04 -0.01 -0.00 0.00 3.82 0.00 0.00 57.97 61.83 1i5n h PHE 13 Cb 0.23 -0.30 0.00 0.00 2.00 0.00 0.00 35.95 37.88 1i5n h PHE 13 CO 0.00 0.63 -0.01 -0.44 -0.18 0.00 0.00 178.31 178.31 1i5n h ASP 14 N 0.96 -0.01 -0.48 2.17 3.45 -1.16 -1.21 116.42 120.14 1i5n h ASP 14 Ca 0.25 -0.44 0.01 0.00 0.43 0.00 0.00 57.03 57.28 1i5n h ASP 14 Cb -0.01 0.00 -0.03 0.00 -0.56 0.00 0.00 39.33 38.74 1i5n h ASP 14 CO -0.04 0.44 0.31 -0.33 -1.57 0.00 0.00 179.24 178.04 1i5n h GLU 15 N -0.46 0.61 -0.75 3.56 5.08 -0.70 -2.06 114.58 119.86 1i5n h GLU 15 Ca -0.00 -0.04 -0.04 0.00 -1.00 0.00 0.00 59.36 58.28 1i5n h GLU 15 Cb 0.45 -0.14 -0.03 0.00 0.50 0.00 0.00 28.75 29.53 1i5n h GLU 15 CO 0.00 0.41 0.31 0.00 -1.00 0.00 0.00 179.01 178.73 1i5n h ALA 16 N 1.18 0.98 -0.63 3.43 0.00 0.44 -1.19 119.26 123.47 1i5n h ALA 16 Ca 0.18 -0.19 0.08 0.00 0.00 0.00 0.00 54.91 54.98 1i5n h ALA 16 Cb -0.05 -0.30 -0.06 0.00 0.00 0.00 0.00 17.79 17.38 1i5n h ALA 16 CO -0.05 0.60 0.30 -0.44 0.00 0.00 0.00 179.25 179.66 1i5n h ASP 17 N 1.09 0.39 -0.35 0.00 3.32 -0.78 0.01 116.42 120.10 1i5n h ASP 17 Ca 0.25 0.05 -0.09 0.00 0.02 0.00 0.00 57.03 57.26 1i5n h ASP 17 Cb 0.20 -0.01 -0.01 0.00 0.22 0.00 0.00 39.33 39.73 1i5n h ASP 17 CO -0.02 0.24 -0.15 -0.33 -1.72 0.00 0.00 179.24 177.26 1i5n h GLU 18 N 0.54 0.72 -0.94 3.56 4.39 -1.01 -1.63 114.58 120.21 1i5n h GLU 18 Ca 0.30 -0.30 0.03 0.00 0.34 0.00 0.00 59.36 59.73 1i5n h GLU 18 Cb 0.28 -0.03 -0.05 0.00 -0.10 0.00 0.00 28.75 28.85 1i5n h GLU 18 CO -0.24 0.91 0.61 -0.07 -1.16 0.00 0.00 179.01 179.06 1i5n h LEU 19 N 0.50 1.02 -0.63 1.33 3.38 -0.71 0.48 115.31 120.68 1i5n h LEU 19 Ca 0.08 -0.01 -0.12 0.00 0.09 0.00 0.00 57.88 57.92 1i5n h LEU 19 Cb 0.68 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 41.18 1i5n h LEU 19 CO 0.05 0.70 -0.25 -0.07 0.09 0.00 0.00 178.44 178.96 1i5n h LEU 20 N 1.19 0.83 -0.36 1.67 3.38 -0.84 -2.87 115.31 118.31 1i5n h LEU 20 Ca 0.37 -0.32 -0.04 0.00 0.09 0.00 0.00 57.88 57.99 1i5n h LEU 20 Cb -0.01 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 40.50 1i5n h LEU 20 CO -0.12 1.04 0.08 0.00 0.09 0.00 0.00 178.44 179.54 1i5n h ALA 21 N 1.01 0.48 0.00 1.53 0.00 -0.55 -1.00 119.26 120.74 1i5n h ALA 21 Ca 0.09 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.81 1i5n h ALA 21 Cb 0.78 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.43 1i5n h ALA 21 CO 0.06 0.16 0.00 -0.25 0.00 0.00 0.00 179.25 179.22 1i5n n ASP 22 N -4.59 0.86 0.00 0.00 8.00 0.09 -2.52 116.55 118.39 1i5n n ASP 22 Ca -0.01 -0.63 0.00 0.00 0.71 0.00 0.00 54.79 54.86 1i5n n ASP 22 Cb 0.20 -0.15 0.00 0.00 -0.02 0.00 0.00 41.12 41.15 1i5n n ASP 22 CO 0.00 0.00 0.00 1.21 -0.39 0.00 0.00 177.20 178.02 1i5n n GLU 24 N 1.00 0.00 -0.35 -1.24 2.13 -0.38 -1.82 120.64 119.98 1i5n n GLU 24 Ca 0.00 0.00 -0.03 0.00 0.66 0.00 0.00 57.16 57.79 1i5n n GLU 24 Cb 0.13 0.00 0.10 0.00 0.27 0.00 0.00 31.44 31.94 1i5n n GLU 24 CO 0.00 0.00 0.00 1.96 -0.41 0.00 0.00 177.13 178.68 1i5n h GLN 25 N 0.00 1.25 -0.70 5.31 1.08 -1.77 -1.18 115.11 119.10 1i5n h GLN 25 Ca 0.00 -0.09 -0.01 0.00 -1.45 0.00 0.00 58.65 57.10 1i5n h GLN 25 Cb 0.00 -0.27 -0.03 0.00 -0.05 0.00 0.00 27.48 27.12 1i5n h GLN 25 CO 0.00 0.84 0.40 0.45 -0.95 0.00 0.00 178.83 179.58 1i5n h HIS 26 N 1.28 0.94 -0.76 2.96 3.86 -1.65 -0.25 115.15 121.52 1i5n h HIS 26 Ca 0.34 -0.01 -0.05 0.00 -1.16 0.00 0.00 60.37 59.49 1i5n h HIS 26 Cb -0.12 -0.31 -0.03 0.00 1.06 0.00 0.00 27.41 28.01 1i5n h HIS 26 CO -0.00 0.65 0.29 -0.07 0.86 0.00 0.00 177.93 179.66 1i5n h LEU 27 N 0.96 1.07 -1.16 2.43 3.38 -1.69 -2.27 115.31 118.04 1i5n h LEU 27 Ca 0.25 -0.18 -0.06 0.00 0.09 0.00 0.00 57.88 57.98 1i5n h LEU 27 Cb 0.00 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 40.47 1i5n h LEU 27 CO -0.04 0.96 -0.28 -0.07 0.09 0.00 0.00 178.44 179.10 1i5n h LEU 28 N 1.11 0.00 0.00 1.67 3.38 -0.72 -2.85 115.31 117.91 1i5n h LEU 28 Ca 0.25 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.22 1i5n h LEU 28 Cb 0.24 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.99 1i5n h LEU 28 CO -0.02 0.28 -0.24 0.47 0.09 0.00 0.00 178.44 179.02 1i5n n ASP 29 N -3.52 0.66 -4.77 -0.43 10.43 -0.15 -4.91 116.55 113.86 1i5n n ASP 29 Ca -0.00 0.36 -0.41 0.00 2.57 0.00 0.00 54.79 57.30 1i5n n ASP 29 Cb 0.43 -0.37 -0.01 0.00 1.84 0.00 0.00 41.12 43.01 1i5n n ASP 29 CO 0.00 0.00 0.00 -0.76 -1.07 0.00 0.00 177.20 175.37 1i5n s LEU 30 N -4.13 4.39 -0.41 0.64 1.43 -0.90 -5.00 118.68 114.69 1i5n s LEU 30 Ca 0.10 2.82 -0.12 0.00 -1.03 0.00 0.00 54.13 55.89 1i5n s LEU 30 Cb 0.14 -3.65 0.04 0.00 0.03 0.00 0.00 46.19 42.75 1i5n s LEU 30 CO 0.64 -0.67 0.27 -0.69 0.23 0.00 0.00 176.35 176.13 1i5n s VAL 31 N -1.02 4.78 0.21 -1.59 1.01 -1.26 -5.00 120.40 117.52 1i5n s VAL 31 Ca 0.51 -0.97 -0.19 0.00 0.00 0.00 0.00 61.98 61.34 1i5n s VAL 31 Cb -0.42 -3.75 0.20 0.00 0.00 0.00 0.00 36.38 32.40 1i5n s VAL 31 CO 0.56 -0.37 1.57 -0.65 0.00 0.00 0.00 175.10 176.20 1i5n h PRO 32 N 8.54 -0.06 -0.00 2.72 0.11 -1.93 -1.54 132.00 139.83 1i5n h PRO 32 Ca -0.26 0.00 -0.02 0.00 0.11 0.00 0.00 66.00 65.84 1i5n h PRO 32 Cb 1.10 0.01 -0.00 0.00 0.11 0.00 0.00 31.00 32.23 1i5n h PRO 32 CO 0.74 -0.04 -0.09 0.93 -0.21 0.00 0.00 178.00 179.33 1i5n h GLU 33 N -0.07 0.01 -1.42 1.05 3.07 -1.95 -3.37 114.58 111.90 1i5n h GLU 33 Ca 0.30 -0.00 -0.37 0.00 -0.50 0.00 0.00 59.36 58.80 1i5n h GLU 33 Cb 0.58 -0.00 -0.26 0.00 -0.84 0.00 0.00 28.75 28.23 1i5n h GLU 33 CO -0.86 0.09 -0.74 -1.13 -1.40 0.00 0.00 179.01 174.97 1i5n n SER 34 N -4.43 -1.86 -4.73 1.42 3.41 -0.67 -4.99 113.62 101.76 1i5n n SER 34 Ca -0.03 -2.78 -0.42 0.00 -0.26 0.00 0.00 58.87 55.39 1i5n n SER 34 Cb 0.17 0.67 -0.03 0.00 -0.26 0.00 0.00 64.21 64.76 1i5n n SER 34 CO 0.00 0.00 0.00 -2.16 -0.16 0.00 0.00 175.04 172.72 1i5n s PRO 35 N 0.27 4.16 0.07 4.33 0.04 -0.67 -4.60 135.00 138.59 1i5n s PRO 35 Ca 0.32 2.51 -0.31 0.00 0.04 0.00 0.00 61.00 63.57 1i5n s PRO 35 Cb 0.08 -3.09 -0.07 0.00 0.04 0.00 0.00 34.50 31.46 1i5n s PRO 35 CO -0.14 -0.66 1.38 0.34 0.04 0.00 0.00 177.00 177.95 1i5n s ASP 36 N 0.95 6.86 0.26 6.66 3.68 -1.26 -4.91 116.67 128.91 1i5n s ASP 36 Ca 0.70 2.22 -0.04 0.00 2.13 0.00 0.00 52.55 57.56 1i5n s ASP 36 Cb -0.47 -2.58 0.35 0.00 -1.45 0.00 0.00 42.92 38.77 1i5n s ASP 36 CO 0.36 -0.66 1.91 0.00 0.13 0.00 0.00 175.17 176.92 1i5n h ALA 37 N 7.18 1.35 -0.01 3.66 0.00 -2.00 -2.03 119.26 127.41 1i5n h ALA 37 Ca -0.41 -0.05 -0.08 0.00 0.00 0.00 0.00 54.91 54.38 1i5n h ALA 37 Cb 1.20 -0.36 -0.01 0.00 0.00 0.00 0.00 17.79 18.62 1i5n h ALA 37 CO 0.87 0.55 -0.36 0.93 0.00 0.00 0.00 179.25 181.24 1i5n h GLU 38 N 1.26 0.02 -0.03 0.00 5.08 -1.99 0.16 114.58 119.08 1i5n h GLU 38 Ca 0.39 -0.01 -0.01 0.00 -1.00 0.00 0.00 59.36 58.74 1i5n h GLU 38 Cb -0.00 -0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.25 1i5n h GLU 38 CO -0.12 0.38 -0.02 1.96 -1.00 0.00 0.00 179.01 180.21 1i5n h GLN 39 N 0.02 0.06 -0.88 2.33 1.08 -1.78 -1.93 115.11 114.01 1i5n h GLN 39 Ca -0.00 -0.03 0.02 0.00 -1.45 0.00 0.00 58.65 57.20 1i5n h GLN 39 Cb 0.65 -0.00 -0.05 0.00 -0.05 0.00 0.00 27.48 28.03 1i5n h GLN 39 CO 0.05 0.48 0.58 -0.07 -0.95 0.00 0.00 178.83 178.92 1i5n h LEU 40 N -0.36 0.97 -0.72 1.46 3.38 -1.18 -1.20 115.31 117.66 1i5n h LEU 40 Ca 0.01 -0.02 -0.03 0.00 0.09 0.00 0.00 57.88 57.93 1i5n h LEU 40 Cb 0.47 -0.23 -0.03 0.00 0.09 0.00 0.00 40.66 40.95 1i5n h LEU 40 CO 0.00 0.68 0.32 0.78 0.09 0.00 0.00 178.44 180.32 1i5n h ASN 41 N 1.13 0.96 -0.72 -0.43 2.35 -0.87 0.26 115.58 118.27 1i5n h ASN 41 Ca 0.34 -0.15 -0.07 0.00 -0.55 0.00 0.00 56.30 55.87 1i5n h ASN 41 Cb -0.04 -0.25 -0.03 0.00 0.05 0.00 0.00 38.32 38.05 1i5n h ASN 41 CO -0.09 0.85 0.18 0.00 -1.65 0.00 0.00 177.43 176.71 1i5n h ALA 42 N 1.15 0.95 -0.29 -0.83 0.00 -0.60 0.11 119.26 119.76 1i5n h ALA 42 Ca 0.24 -0.25 -0.07 0.00 0.00 0.00 0.00 54.91 54.83 1i5n h ALA 42 Cb 0.16 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.67 1i5n h ALA 42 CO -0.03 0.67 -0.11 0.82 0.00 0.00 0.00 179.25 180.61 1i5n h ILE 43 N 1.09 1.29 -0.60 0.00 2.04 -0.95 -2.00 117.51 118.39 1i5n h ILE 43 Ca 0.23 -1.17 -0.01 0.00 1.00 0.00 0.00 64.86 64.90 1i5n h ILE 43 Cb 0.37 1.45 -0.03 0.00 -0.74 0.00 0.00 36.82 37.87 1i5n h ILE 43 CO 0.00 0.37 0.31 0.15 0.00 0.00 0.00 178.15 178.99 1i5n h PHE 44 N 0.33 0.83 -0.85 1.37 3.04 -0.72 -1.57 116.94 119.37 1i5n h PHE 44 Ca 0.07 -0.03 -0.03 0.00 3.98 0.00 0.00 57.97 61.96 1i5n h PHE 44 Cb 0.61 -0.26 -0.04 0.00 2.56 0.00 0.00 35.95 38.81 1i5n h PHE 44 CO 0.06 0.61 0.40 -0.09 -2.02 0.00 0.00 178.31 177.27 1i5n h ARG 45 N 0.81 1.23 -0.12 1.11 2.43 -0.69 0.22 114.38 119.36 1i5n h ARG 45 Ca 0.21 -0.18 -0.01 0.00 -0.81 0.00 0.00 59.98 59.19 1i5n h ARG 45 Cb 0.07 -0.22 -0.01 0.00 -0.42 0.00 0.00 29.97 29.39 1i5n h ARG 45 CO -0.03 0.94 0.05 0.00 -1.51 0.00 0.00 179.97 179.43 1i5n h ALA 46 N 1.22 0.16 -0.83 2.80 0.00 -1.08 -0.05 119.26 121.48 1i5n h ALA 46 Ca 0.29 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 55.12 1i5n h ALA 46 Cb 0.13 -0.05 -0.04 0.00 0.00 0.00 0.00 17.79 17.83 1i5n h ALA 46 CO -0.04 -0.26 0.53 0.00 0.00 0.00 0.00 179.25 179.48 1i5n h ALA 47 N 0.91 1.05 -0.60 0.00 0.00 -0.90 -2.39 119.26 117.33 1i5n h ALA 47 Ca 0.04 -0.07 -0.03 0.00 0.00 0.00 0.00 54.91 54.85 1i5n h ALA 47 Cb 0.14 -0.33 -0.03 0.00 0.00 0.00 0.00 17.79 17.57 1i5n h ALA 47 CO -0.00 0.48 0.25 1.25 0.00 0.00 0.00 179.25 181.23 1i5n h HIS 48 N 1.12 0.90 -0.48 0.00 6.17 -0.18 -1.10 115.15 121.58 1i5n h HIS 48 Ca 0.30 -0.06 -0.04 0.00 0.71 0.00 0.00 60.37 61.28 1i5n h HIS 48 Cb -0.10 -0.27 -0.02 0.00 2.52 0.00 0.00 27.41 29.54 1i5n h HIS 48 CO -0.01 0.71 0.16 0.77 0.71 0.00 0.00 177.93 180.27 1i5n h SER 49 N 0.83 0.69 -0.61 3.26 0.02 -0.81 -1.89 113.55 115.05 1i5n h SER 49 Ca 0.20 -0.20 -0.06 0.00 -0.84 0.00 0.00 61.79 60.89 1i5n h SER 49 Cb 0.18 -0.18 -0.02 0.00 0.14 0.00 0.00 62.40 62.51 1i5n h SER 49 CO -0.02 0.70 0.13 0.40 -1.14 0.00 0.00 176.83 176.91 1i5n h ILE 50 N 0.64 1.25 -0.89 3.27 2.04 -1.32 -2.03 117.51 120.48 1i5n h ILE 50 Ca 0.16 -0.94 0.05 0.00 1.00 0.00 0.00 64.86 65.13 1i5n h ILE 50 Cb 0.25 0.70 -0.06 0.00 -0.74 0.00 0.00 36.82 36.97 1i5n h ILE 50 CO -0.01 0.35 0.57 0.50 0.00 0.00 0.00 178.15 179.56 1i5n h LYS 51 N 0.89 1.02 -0.25 2.37 3.64 -0.97 0.18 116.57 123.46 1i5n h LYS 51 Ca 0.19 -0.06 -0.00 0.00 -1.27 0.00 0.00 60.65 59.50 1i5n h LYS 51 Cb 0.38 -0.23 -0.01 0.00 -0.41 0.00 0.00 32.23 31.95 1i5n h LYS 51 CO 0.01 0.68 0.14 0.78 -2.27 0.00 0.00 179.45 178.78 1i5n h GLY 52 N 1.05 0.37 1.16 5.01 0.00 -0.90 -0.57 103.07 109.20 1i5n h GLY 52 Ca 0.38 -0.17 -0.06 0.00 0.00 0.00 0.00 47.33 47.48 1i5n h GLY 52 CO -0.15 0.16 0.19 -1.33 0.00 0.00 0.00 176.54 175.40 1i5n h GLY 53 N 0.30 1.13 0.48 4.60 0.00 -0.86 -1.27 103.07 107.45 1i5n h GLY 53 Ca 0.09 -0.67 0.07 0.00 0.00 0.00 0.00 47.33 46.81 1i5n h GLY 53 CO -0.01 0.63 0.12 0.00 0.00 0.00 0.00 176.54 177.27 1i5n h ALA 54 N 1.19 0.52 -0.69 3.60 0.00 -0.12 -0.09 119.26 123.68 1i5n h ALA 54 Ca 0.22 0.08 -0.05 0.00 0.00 0.00 0.00 54.91 55.16 1i5n h ALA 54 Cb 0.32 0.09 -0.03 0.00 0.00 0.00 0.00 17.79 18.17 1i5n h ALA 54 CO -0.00 -0.28 0.23 0.78 0.00 0.00 0.00 179.25 179.97 1i5n h GLY 55 N 0.26 1.13 0.93 0.00 0.00 -0.68 0.16 103.07 104.87 1i5n h GLY 55 Ca 0.22 -0.65 0.02 0.00 0.00 0.00 0.00 47.33 46.91 1i5n h GLY 55 CO -0.27 0.61 0.26 -0.84 0.00 0.00 0.00 176.54 176.31 1i5n h THR 56 N 0.99 1.06 -0.09 4.70 2.02 -0.23 -2.87 112.91 118.50 1i5n h THR 56 Ca 0.22 -0.18 0.00 0.00 0.77 0.00 0.00 66.41 67.22 1i5n h THR 56 Cb 0.27 0.49 0.00 0.00 -1.74 0.00 0.00 68.15 67.17 1i5n h THR 56 CO -0.01 0.10 0.00 0.49 0.37 0.00 0.00 175.52 176.47 1i5n n PHE 57 N -4.83 0.11 -1.99 3.16 3.01 -0.14 -4.95 117.46 111.83 1i5n n PHE 57 Ca 0.02 -0.05 -0.09 0.00 1.01 0.00 0.00 57.45 58.33 1i5n n PHE 57 Cb 0.05 0.00 -0.01 0.00 -0.01 0.00 0.00 39.48 39.51 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 1.15 0.21 3.46 1.37 0.00 -0.25 -4.93 105.19 106.21 1i5n n GLY 58 Ca 0.18 -0.53 -0.43 0.00 0.00 0.00 0.00 46.02 45.23 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 -3.75 4.65 -0.10 1.61 0.99 0.41 -4.84 117.46 116.42 1i5n n PHE 59 Ca -0.10 -3.04 -0.06 0.00 -0.00 0.00 0.00 57.45 54.24 1i5n n PHE 59 Cb 0.52 -2.44 0.00 0.00 -1.00 0.00 0.00 39.48 36.57 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 5.05 0.48 -0.66 4.37 2.02 -1.92 0.47 112.91 122.73 1i5n h THR 60 Ca 0.41 0.00 -0.02 0.00 0.77 0.00 0.00 66.41 67.57 1i5n h THR 60 Cb 0.85 0.48 -0.03 0.00 -1.74 0.00 0.00 68.15 67.71 1i5n h THR 60 CO 1.41 0.00 0.34 0.40 0.37 0.00 0.00 175.52 178.04 1i5n h ILE 61 N -0.11 1.21 -0.21 3.11 2.04 -1.98 -1.84 117.51 119.73 1i5n h ILE 61 Ca 0.18 -0.57 -0.16 0.00 1.00 0.00 0.00 64.86 65.31 1i5n h ILE 61 Cb 0.39 0.39 -0.01 0.00 -0.74 0.00 0.00 36.82 36.85 1i5n h ILE 61 CO -0.43 0.24 -0.51 0.25 0.00 0.00 0.00 178.15 177.71 1i5n h LEU 62 N 0.90 0.66 -0.21 1.44 5.85 -1.88 -2.01 115.31 120.06 1i5n h LEU 62 Ca 0.23 -0.33 -0.01 0.00 0.84 0.00 0.00 57.88 58.60 1i5n h LEU 62 Cb 0.08 -0.19 -0.01 0.00 0.37 0.00 0.00 40.66 40.91 1i5n h LEU 62 CO -0.03 1.05 0.09 -0.61 -0.34 0.00 0.00 178.44 178.60 1i5n h GLN 63 N 0.47 0.31 -0.46 1.25 4.15 -0.61 -1.27 115.11 118.95 1i5n h GLN 63 Ca 0.02 -0.05 -0.09 0.00 0.77 0.00 0.00 58.65 59.29 1i5n h GLN 63 Cb 1.05 -0.05 -0.02 0.00 0.21 0.00 0.00 27.48 28.67 1i5n h GLN 63 CO 0.10 0.35 -0.07 1.49 -1.93 0.00 0.00 178.83 178.77 1i5n h GLU 64 N 0.20 0.86 -0.38 1.69 4.81 -1.35 -1.11 114.58 119.31 1i5n h GLU 64 Ca 0.07 -0.31 0.02 0.00 -0.13 0.00 0.00 59.36 59.01 1i5n h GLU 64 Cb 0.15 -0.06 -0.02 0.00 0.63 0.00 0.00 28.75 29.44 1i5n h GLU 64 CO -0.01 0.95 0.22 1.15 -0.73 0.00 0.00 179.01 180.59 1i5n h THR 65 N 0.71 1.04 -0.33 0.32 2.02 -1.27 -1.25 112.91 114.15 1i5n h THR 65 Ca 0.12 -0.15 -0.11 0.00 0.77 0.00 0.00 66.41 67.04 1i5n h THR 65 Cb 0.60 0.55 -0.01 0.00 -1.74 0.00 0.00 68.15 67.55 1i5n h THR 65 CO 0.04 0.08 -0.23 0.71 0.37 0.00 0.00 175.52 176.49 1i5n h THR 66 N 0.45 1.27 -0.44 3.16 1.35 -1.16 -2.97 112.91 114.58 1i5n h THR 66 Ca 0.15 -1.30 0.00 0.00 -0.55 0.00 0.00 66.41 64.71 1i5n h THR 66 Cb 0.01 1.27 -0.02 0.00 -1.73 0.00 0.00 68.15 67.68 1i5n h THR 66 CO -0.07 0.43 0.28 -0.74 -0.25 0.00 0.00 175.52 175.17 1i5n h HIS 67 N 0.56 0.56 0.00 4.73 6.17 -0.73 -0.72 115.15 125.71 1i5n h HIS 67 Ca 0.08 0.01 0.00 0.00 0.71 0.00 0.00 60.37 61.17 1i5n h HIS 67 Cb 0.70 -0.19 0.00 0.00 2.52 0.00 0.00 27.41 30.44 1i5n h HIS 67 CO 0.03 0.37 0.00 1.28 0.71 0.00 0.00 177.93 180.32 1i5n n LEU 68 N -4.77 0.94 0.00 0.26 4.77 -0.51 -1.35 117.00 116.34 1i5n n LEU 68 Ca 0.01 -0.46 0.00 0.00 -0.03 0.00 0.00 56.01 55.53 1i5n n LEU 68 Cb 0.03 -0.17 0.00 0.00 -2.33 0.00 0.00 43.42 40.96 1i5n n LEU 68 CO 0.35 0.16 0.00 -0.62 -1.33 0.00 0.00 177.39 175.95 1i5n n GLU 70 N 1.03 0.00 -0.21 3.23 1.02 -0.28 -1.92 120.64 123.50 1i5n n GLU 70 Ca 0.00 0.00 -0.01 0.00 -0.02 0.00 0.00 57.16 57.13 1i5n n GLU 70 Cb 0.14 0.00 0.10 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 0.42 -0.22 1.62 -0.26 -1.48 0.84 115.58 116.50 1i5n h ASN 71 Ca 0.00 0.05 -0.19 0.00 -0.56 0.00 0.00 56.30 55.60 1i5n h ASN 71 Cb 0.00 -0.03 0.00 0.00 -1.06 0.00 0.00 38.32 37.24 1i5n h ASN 71 CO 0.00 0.26 -0.60 0.25 -1.06 0.00 0.00 177.43 176.28 1i5n h LEU 72 N 0.56 0.93 -0.96 1.61 5.85 -1.67 -2.81 115.31 118.83 1i5n h LEU 72 Ca 0.30 -0.52 -0.02 0.00 0.84 0.00 0.00 57.88 58.47 1i5n h LEU 72 Cb 0.26 -0.27 -0.04 0.00 0.37 0.00 0.00 40.66 40.98 1i5n h LEU 72 CO -0.22 1.32 0.45 -0.07 -0.34 0.00 0.00 178.44 179.58 1i5n h LEU 73 N 0.62 1.07 -1.41 2.25 3.38 -1.72 -2.08 115.31 117.42 1i5n h LEU 73 Ca -0.00 -0.10 -0.04 0.00 0.09 0.00 0.00 57.88 57.83 1i5n h LEU 73 Cb 1.21 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 41.67 1i5n h LEU 73 CO 0.13 0.86 -0.08 0.44 0.09 0.00 0.00 178.44 179.88 1i5n h ASP 74 N 1.19 0.27 -0.46 -0.43 3.32 -0.74 0.06 116.42 119.63 1i5n h ASP 74 Ca 0.30 -0.05 -0.01 0.00 0.02 0.00 0.00 57.03 57.29 1i5n h ASP 74 Cb 0.05 -0.07 -0.02 0.00 0.22 0.00 0.00 39.33 39.50 1i5n h ASP 74 CO -0.05 0.39 0.26 -0.33 -1.72 0.00 0.00 179.24 177.79 1i5n h GLU 75 N 0.27 0.66 0.10 3.56 4.39 -1.12 0.31 114.58 122.75 1i5n h GLU 75 Ca 0.06 -0.06 -0.28 0.00 0.34 0.00 0.00 59.36 59.42 1i5n h GLU 75 Cb 0.33 -0.14 0.02 0.00 -0.10 0.00 0.00 28.75 28.86 1i5n h GLU 75 CO 0.02 0.49 -1.18 0.00 -1.16 0.00 0.00 179.01 177.17 1i5n h ALA 76 N 1.62 0.11 -0.11 3.43 0.00 -1.03 -1.20 119.26 122.08 1i5n h ALA 76 Ca 0.17 -0.80 -0.09 0.00 0.00 0.00 0.00 54.91 54.19 1i5n h ALA 76 Cb 0.03 0.05 -0.01 0.00 0.00 0.00 0.00 17.79 17.85 1i5n h ALA 76 CO -0.03 0.81 -0.36 0.00 0.00 0.00 0.00 179.25 179.68 1i5n h ARG 77 N 0.19 0.23 -0.00 0.00 3.08 -0.48 -2.40 114.38 115.00 1i5n h ARG 77 Ca -0.15 -0.09 0.00 0.00 0.07 0.00 0.00 59.98 59.81 1i5n h ARG 77 Cb 1.86 -0.01 0.00 0.00 0.08 0.00 0.00 29.97 31.91 1i5n h ARG 77 CO 0.21 0.56 -0.07 0.54 -1.07 0.00 0.00 179.97 180.14 1i5n n ARG 78 N -4.07 0.05 -1.05 0.04 1.74 0.05 -4.92 116.66 108.49 1i5n n ARG 78 Ca -0.01 -0.01 -0.02 0.00 -0.77 0.00 0.00 57.85 57.04 1i5n n ARG 78 Cb 0.44 -1.50 -0.01 0.00 -1.02 0.00 0.00 32.46 30.37 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 1.48 0.53 1.66 -0.13 0.00 -0.90 -5.08 105.19 102.75 1i5n n GLY 79 Ca 0.08 -0.57 -0.13 0.00 0.00 0.00 0.00 46.02 45.40 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 -2.74 1.65 -4.01 1.61 1.02 -0.47 -5.03 120.64 112.66 1i5n n GLU 80 Ca -0.02 -1.45 -0.16 0.00 -0.02 0.00 0.00 57.16 55.51 1i5n n GLU 80 Cb 0.08 -1.57 -0.15 0.00 -0.02 0.00 0.00 31.44 29.78 1i5n n GLU 80 CO 0.00 0.00 0.00 -0.65 1.18 0.00 0.00 177.13 177.66 1i5n s GLN 82 N -1.62 0.35 0.50 3.49 -1.52 -1.26 -4.70 119.66 114.89 1i5n s GLN 82 Ca 0.28 -0.03 -0.19 0.00 -1.95 0.00 0.00 55.36 53.47 1i5n s GLN 82 Cb 0.23 -0.43 -0.08 0.00 -0.22 0.00 0.00 33.01 32.50 1i5n s GLN 82 CO 0.04 -0.04 1.00 -0.51 -0.25 0.00 0.00 175.29 175.53 1i5n s LEU 83 N 0.54 3.75 0.24 2.90 1.43 -1.26 -5.02 118.68 121.26 1i5n s LEU 83 Ca -0.06 1.75 -0.10 0.00 -1.03 0.00 0.00 54.13 54.69 1i5n s LEU 83 Cb -0.09 -4.54 -0.01 0.00 0.03 0.00 0.00 46.19 41.59 1i5n s LEU 83 CO -0.01 -0.68 0.41 0.54 0.23 0.00 0.00 176.35 176.84 1i5n s ASN 84 N -2.48 -0.04 0.29 2.29 2.20 -1.26 -4.52 114.94 111.42 1i5n s ASN 84 Ca 0.63 -1.02 0.00 0.00 -0.94 0.00 0.00 52.86 51.53 1i5n s ASN 84 Cb -0.12 0.54 0.51 0.00 -2.00 0.00 0.00 41.25 40.18 1i5n s ASN 84 CO 0.24 -1.08 1.90 0.71 -2.94 0.00 0.00 177.10 175.93 1i5n h THR 85 N 2.33 1.06 -0.76 0.54 1.35 -1.97 -1.29 112.91 114.17 1i5n h THR 85 Ca -0.28 -0.36 0.01 0.00 -0.55 0.00 0.00 66.41 65.23 1i5n h THR 85 Cb 1.25 -0.09 -0.04 0.00 -1.73 0.00 0.00 68.15 67.54 1i5n h THR 85 CO 0.39 0.19 0.50 0.44 -0.25 0.00 0.00 175.52 176.79 1i5n h ASP 86 N 1.06 0.86 -0.02 5.36 3.32 -1.98 0.15 116.42 125.16 1i5n h ASP 86 Ca 0.41 -0.02 -0.16 0.00 0.02 0.00 0.00 57.03 57.27 1i5n h ASP 86 Cb 0.21 -0.21 -0.01 0.00 0.22 0.00 0.00 39.33 39.55 1i5n h ASP 86 CO -0.16 0.62 -0.54 0.40 -1.72 0.00 0.00 179.24 177.84 1i5n h ILE 87 N 1.02 1.31 -0.17 0.35 2.04 -1.80 -1.64 117.51 118.62 1i5n h ILE 87 Ca 0.28 -1.77 -0.10 0.00 1.00 0.00 0.00 64.86 64.27 1i5n h ILE 87 Cb -0.10 1.73 -0.01 0.00 -0.74 0.00 0.00 36.82 37.70 1i5n h ILE 87 CO -0.07 0.55 -0.32 0.40 0.00 0.00 0.00 178.15 178.72 1i5n h ILE 88 N 0.46 1.28 -0.11 -0.67 2.04 -0.85 -1.43 117.51 118.23 1i5n h ILE 88 Ca 0.01 -1.35 -0.14 0.00 1.00 0.00 0.00 64.86 64.39 1i5n h ILE 88 Cb 1.09 1.50 -0.01 0.00 -0.74 0.00 0.00 36.82 38.66 1i5n h ILE 88 CO 0.10 0.41 -0.53 0.78 0.00 0.00 0.00 178.15 178.92 1i5n h ASN 89 N 0.30 0.35 -0.47 1.72 2.35 -0.45 -1.34 115.58 118.04 1i5n h ASN 89 Ca 0.04 -0.18 -0.11 0.00 -0.55 0.00 0.00 56.30 55.50 1i5n h ASN 89 Cb 0.72 -0.10 -0.02 0.00 0.05 0.00 0.00 38.32 38.97 1i5n h ASN 89 CO 0.05 0.81 -0.13 0.25 -1.65 0.00 0.00 177.43 176.77 1i5n h LEU 90 N 0.25 0.96 -0.59 1.61 5.85 -0.82 0.42 115.31 122.98 1i5n h LEU 90 Ca 0.01 -0.32 -0.05 0.00 0.84 0.00 0.00 57.88 58.36 1i5n h LEU 90 Cb 1.02 -0.26 -0.02 0.00 0.37 0.00 0.00 40.66 41.76 1i5n h LEU 90 CO 0.09 1.08 0.19 -0.26 -0.34 0.00 0.00 178.44 179.20 1i5n h PHE 91 N 0.84 0.94 -0.58 1.25 0.05 -1.03 0.58 116.94 118.99 1i5n h PHE 91 Ca 0.13 -0.09 -0.05 0.00 3.82 0.00 0.00 57.97 61.78 1i5n h PHE 91 Cb 0.68 -0.27 -0.02 0.00 2.00 0.00 0.00 35.95 38.33 1i5n h PHE 91 CO 0.04 0.78 0.17 -0.07 -0.18 0.00 0.00 178.31 179.05 1i5n h LEU 92 N 0.83 0.86 -1.22 1.54 3.38 -0.99 -1.25 115.31 118.46 1i5n h LEU 92 Ca 0.19 -0.21 -0.05 0.00 0.09 0.00 0.00 57.88 57.89 1i5n h LEU 92 Cb 0.28 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 40.78 1i5n h LEU 92 CO -0.01 0.85 -0.03 -0.08 0.09 0.00 0.00 178.44 179.26 1i5n h GLU 93 N 0.83 0.50 -0.49 1.13 4.81 -0.56 -1.42 114.58 119.38 1i5n h GLU 93 Ca 0.19 -0.11 -0.05 0.00 -0.13 0.00 0.00 59.36 59.25 1i5n h GLU 93 Cb 0.30 -0.07 -0.02 0.00 0.63 0.00 0.00 28.75 29.59 1i5n h GLU 93 CO -0.00 0.55 0.10 1.15 -0.73 0.00 0.00 179.01 180.07 1i5n h THR 94 N 0.48 1.24 -0.97 0.32 2.02 -0.23 -1.27 112.91 114.51 1i5n h THR 94 Ca 0.10 -0.89 0.01 0.00 0.77 0.00 0.00 66.41 66.40 1i5n h THR 94 Cb 0.36 0.89 -0.05 0.00 -1.74 0.00 0.00 68.15 67.60 1i5n h THR 94 CO 0.01 0.32 0.63 0.50 0.37 0.00 0.00 175.52 177.35 1i5n h LYS 95 N 0.67 1.28 -0.44 6.66 3.11 -0.44 -2.31 116.57 125.10 1i5n h LYS 95 Ca 0.15 -0.08 -0.03 0.00 -2.81 0.00 0.00 60.65 57.88 1i5n h LYS 95 Cb 0.37 -0.29 -0.02 0.00 -1.00 0.00 0.00 32.23 31.29 1i5n h LYS 95 CO 0.01 0.85 0.16 -0.44 -2.81 0.00 0.00 179.45 177.22 1i5n h ASP 96 N 1.32 0.61 0.00 4.20 3.45 -0.92 -0.64 116.42 124.44 1i5n h ASP 96 Ca 0.35 -0.18 0.00 0.00 0.43 0.00 0.00 57.03 57.63 1i5n h ASP 96 Cb -0.14 -0.16 0.00 0.00 -0.56 0.00 0.00 39.33 38.47 1i5n h ASP 96 CO -0.08 0.63 0.00 -0.38 -1.57 0.00 0.00 179.24 177.84 1i5n n ILE 97 N -4.60 0.12 0.00 0.35 5.41 -0.51 -1.49 119.36 118.64 1i5n n ILE 97 Ca 0.00 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.75 1i5n n ILE 97 Cb 0.16 -0.43 0.00 0.00 -0.71 0.00 0.00 39.64 38.66 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 0.76 0.00 0.04 0.38 -0.06 -0.25 -0.87 117.38 117.38 1i5n n GLN 99 Ca 0.00 0.00 0.01 0.00 -2.00 0.00 0.00 57.00 55.01 1i5n n GLN 99 Cb 0.07 0.00 0.32 0.00 -4.06 0.00 0.00 30.24 26.58 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 0.43 -0.22 3.69 4.39 -1.52 -1.06 114.58 120.30 1i5n h GLU 100 Ca 0.00 -0.10 -0.03 0.00 0.34 0.00 0.00 59.36 59.57 1i5n h GLU 100 Cb 0.00 -0.06 -0.01 0.00 -0.10 0.00 0.00 28.75 28.58 1i5n h GLU 100 CO 0.00 0.50 0.02 1.96 -1.16 0.00 0.00 179.01 180.33 1i5n h GLN 101 N 0.42 0.37 -0.83 2.33 4.20 -1.27 -2.19 115.11 118.13 1i5n h GLN 101 Ca 0.09 -0.11 -0.02 0.00 0.06 0.00 0.00 58.65 58.66 1i5n h GLN 101 Cb 0.35 -0.04 -0.04 0.00 0.30 0.00 0.00 27.48 28.05 1i5n h GLN 101 CO 0.02 0.54 0.42 -0.07 -0.67 0.00 0.00 178.83 179.06 1i5n h LEU 102 N 0.15 1.06 -0.84 1.46 3.38 -1.75 -2.29 115.31 116.49 1i5n h LEU 102 Ca 0.06 -0.11 -0.05 0.00 0.09 0.00 0.00 57.88 57.87 1i5n h LEU 102 Cb 0.36 -0.27 -0.03 0.00 0.09 0.00 0.00 40.66 40.80 1i5n h LEU 102 CO 0.01 0.87 0.26 0.44 0.09 0.00 0.00 178.44 180.11 1i5n h ASP 103 N 1.17 1.04 0.41 -0.43 3.32 -1.11 -0.44 116.42 120.38 1i5n h ASP 103 Ca 0.29 -0.18 -0.02 0.00 0.02 0.00 0.00 57.03 57.14 1i5n h ASP 103 Cb 0.08 -0.27 0.00 0.00 0.22 0.00 0.00 39.33 39.36 1i5n h ASP 103 CO -0.04 0.95 -0.20 0.00 -1.72 0.00 0.00 179.24 178.23 1i5n h ALA 104 N 1.19 -0.55 -0.68 3.45 0.00 -1.06 -1.21 119.26 120.41 1i5n h ALA 104 Ca 0.24 -0.14 0.10 0.00 0.00 0.00 0.00 54.91 55.11 1i5n h ALA 104 Cb 0.26 0.21 -0.07 0.00 0.00 0.00 0.00 17.79 18.18 1i5n h ALA 104 CO -0.01 -0.77 0.31 1.88 0.00 0.00 0.00 179.25 180.65 1i5n h TYR 105 N -0.61 0.55 -0.80 0.00 0.99 -1.28 0.34 116.97 116.16 1i5n h TYR 105 Ca -0.06 0.03 0.07 0.00 2.00 0.00 0.00 58.73 60.78 1i5n h TYR 105 Cb 0.46 -0.14 -0.05 0.00 1.00 0.00 0.00 36.73 37.99 1i5n h TYR 105 CO -0.03 0.17 0.52 -0.22 -0.00 0.00 0.00 178.16 178.60 1i5n h LYS 106 N 0.52 0.80 -0.64 4.88 3.64 -0.76 -1.53 116.57 123.49 1i5n h LYS 106 Ca 0.34 -0.05 0.00 0.00 -1.27 0.00 0.00 60.65 59.67 1i5n h LYS 106 Cb 0.39 -0.18 0.00 0.00 -0.41 0.00 0.00 32.23 32.03 1i5n h LYS 106 CO -0.29 0.53 0.00 0.09 -2.27 0.00 0.00 179.45 177.51 1i5n n ASN 107 N -4.49 4.77 -3.80 4.20 3.02 -0.37 -4.91 115.26 113.68 1i5n n ASN 107 Ca 0.12 -2.56 -0.27 0.00 -0.03 0.00 0.00 54.58 51.84 1i5n n ASN 107 Cb 0.25 -0.60 0.04 0.00 -0.61 0.00 0.00 39.78 38.86 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 0.89 -4.53 -4.44 6.41 7.64 -0.57 -4.98 113.62 114.03 1i5n n SER 108 Ca 0.25 -0.73 -0.25 0.00 1.01 0.00 0.00 58.87 59.15 1i5n n SER 108 Cb 0.94 -4.19 -0.11 0.00 -1.01 0.00 0.00 64.21 59.84 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 -6.43 1.59 -0.01 1.43 2.02 0.11 -5.01 118.70 112.41 1i5n s GLU 109 Ca 0.53 -1.66 -0.29 0.00 0.02 0.00 0.00 54.97 53.57 1i5n s GLU 109 Cb -0.26 -1.76 -0.03 0.00 0.10 0.00 0.00 34.13 32.18 1i5n s GLU 109 CO 0.80 0.35 0.95 -1.21 0.02 0.00 0.00 175.26 176.17 1i5n s GLU 110 N -3.17 4.55 0.76 1.61 0.41 -1.26 -3.46 118.70 118.13 1i5n s GLU 110 Ca 0.26 1.36 -0.13 0.00 -0.41 0.00 0.00 54.97 56.05 1i5n s GLU 110 Cb -0.06 -3.46 0.06 0.00 -1.78 0.00 0.00 34.13 28.89 1i5n s GLU 110 CO 0.12 -0.03 1.16 -1.25 -0.49 0.00 0.00 175.26 174.77 1i5n s PRO 111 N 0.97 2.04 -0.23 0.39 0.04 -1.26 -4.88 135.00 132.06 1i5n s PRO 111 Ca 0.50 1.56 -0.29 0.00 0.04 0.00 0.00 61.00 62.81 1i5n s PRO 111 Cb -0.21 -1.84 -0.03 0.00 0.04 0.00 0.00 34.50 32.46 1i5n s PRO 111 CO 0.27 -1.87 1.74 0.34 0.04 0.00 0.00 177.00 177.52 1i5n s ASP 112 N -2.47 6.17 0.23 6.66 2.15 -1.26 -4.91 116.67 123.23 1i5n s ASP 112 Ca 0.69 1.63 -0.08 0.00 0.43 0.00 0.00 52.55 55.23 1i5n s ASP 112 Cb -0.24 -2.53 0.21 0.00 -0.30 0.00 0.00 42.92 40.06 1i5n s ASP 112 CO 0.49 -1.43 1.89 0.00 -0.17 0.00 0.00 175.17 175.95 1i5n h ALA 113 N 11.68 1.13 -0.56 3.66 0.00 -2.00 -2.33 119.26 130.84 1i5n h ALA 113 Ca -0.35 -0.09 -0.04 0.00 0.00 0.00 0.00 54.91 54.43 1i5n h ALA 113 Cb 1.17 -0.36 -0.02 0.00 0.00 0.00 0.00 17.79 18.58 1i5n h ALA 113 CO 1.00 0.57 0.19 0.00 0.00 0.00 0.00 179.25 181.01 1i5n h ALA 114 N 1.30 0.74 -0.47 0.00 0.00 -2.00 -1.61 119.26 117.22 1i5n h ALA 114 Ca 0.32 -0.19 -0.14 0.00 0.00 0.00 0.00 54.91 54.91 1i5n h ALA 114 Cb -0.08 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.48 1i5n h ALA 114 CO -0.06 0.39 -0.24 0.77 0.00 0.00 0.00 179.25 180.10 1i5n h SER 115 N 0.78 1.03 0.07 0.00 0.02 -1.96 -0.89 113.55 112.61 1i5n h SER 115 Ca 0.18 -0.41 0.02 0.00 -0.84 0.00 0.00 61.79 60.75 1i5n h SER 115 Cb 0.26 -0.28 -0.04 0.00 0.14 0.00 0.00 62.40 62.48 1i5n h SER 115 CO -0.01 1.21 -0.28 0.15 -1.14 0.00 0.00 176.83 176.76 1i5n h PHE 116 N 0.85 -0.76 -0.63 3.45 3.57 -1.15 0.63 116.94 122.89 1i5n h PHE 116 Ca 0.10 0.02 -0.08 0.00 3.53 0.00 0.00 57.97 61.54 1i5n h PHE 116 Cb 0.83 0.33 -0.02 0.00 2.79 0.00 0.00 35.95 39.87 1i5n h PHE 116 CO 0.05 -0.38 0.07 0.93 -2.23 0.00 0.00 178.31 176.76 1i5n h GLU 117 N -0.47 1.07 -0.21 1.11 5.08 -1.27 -1.57 114.58 118.32 1i5n h GLU 117 Ca 0.04 -0.30 -0.00 0.00 -1.00 0.00 0.00 59.36 58.10 1i5n h GLU 117 Cb 0.52 -0.12 -0.01 0.00 0.50 0.00 0.00 28.75 29.64 1i5n h GLU 117 CO -0.19 1.00 0.12 -0.92 -1.00 0.00 0.00 179.01 178.02 1i5n h TYR 118 N 0.98 0.28 -0.21 4.33 5.03 -0.85 -2.01 116.97 124.52 1i5n h TYR 118 Ca 0.19 -0.00 -0.15 0.00 2.58 0.00 0.00 58.73 61.35 1i5n h TYR 118 Cb 0.47 -0.09 -0.01 0.00 1.55 0.00 0.00 36.73 38.65 1i5n h TYR 118 CO 0.03 0.23 -0.49 0.97 -1.32 0.00 0.00 178.16 177.58 1i5n h ILE 119 N 0.25 1.31 -0.56 1.81 6.09 -0.79 -1.62 117.51 124.00 1i5n h ILE 119 Ca 0.07 -1.71 -0.07 0.00 -1.37 0.00 0.00 64.86 61.78 1i5n h ILE 119 Cb 0.03 1.68 -0.02 0.00 0.47 0.00 0.00 36.82 38.98 1i5n h ILE 119 CO -0.01 0.53 0.07 0.00 -3.07 0.00 0.00 178.15 175.67 1i5n h ASN 121 N 0.84 1.06 -0.37 0.00 2.35 -1.26 -0.55 115.58 117.65 1i5n h ASN 121 Ca 0.17 -0.31 -0.05 0.00 -0.55 0.00 0.00 56.30 55.56 1i5n h ASN 121 Cb 0.45 -0.29 -0.01 0.00 0.05 0.00 0.00 38.32 38.52 1i5n h ASN 121 CO 0.02 1.12 0.04 0.00 -1.65 0.00 0.00 177.43 176.95 1i5n h ALA 122 N 0.98 0.49 -0.35 -0.83 0.00 -1.03 -0.55 119.26 117.97 1i5n h ALA 122 Ca 0.17 -0.22 -0.11 0.00 0.00 0.00 0.00 54.91 54.75 1i5n h ALA 122 Cb 0.58 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.22 1i5n h ALA 122 CO 0.03 0.22 -0.23 -0.07 0.00 0.00 0.00 179.25 179.21 1i5n h LEU 123 N 0.46 0.70 -0.42 0.00 3.38 -1.01 -2.94 115.31 115.47 1i5n h LEU 123 Ca 0.11 -0.25 -0.13 0.00 0.09 0.00 0.00 57.88 57.71 1i5n h LEU 123 Cb 0.40 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 40.95 1i5n h LEU 123 CO 0.01 0.91 -0.24 0.03 0.09 0.00 0.00 178.44 179.24 1i5n h ARG 124 N 0.60 0.90 0.13 1.13 3.08 -0.94 -2.71 114.38 116.58 1i5n h ARG 124 Ca 0.09 -0.41 0.00 0.00 0.07 0.00 0.00 59.98 59.73 1i5n h ARG 124 Cb 0.71 -0.02 -0.01 0.00 0.08 0.00 0.00 29.97 30.73 1i5n h ARG 124 CO 0.05 1.06 -0.13 1.96 -1.07 0.00 0.00 179.97 181.84 1i5n h GLN 125 N 0.72 -0.28 -0.59 0.04 1.08 -1.01 -2.27 115.11 112.79 1i5n h GLN 125 Ca 0.09 0.02 0.01 0.00 -1.45 0.00 0.00 58.65 57.32 1i5n h GLN 125 Cb 0.81 0.06 -0.03 0.00 -0.05 0.00 0.00 27.48 28.27 1i5n h GLN 125 CO 0.07 -0.19 0.38 -0.07 -0.95 0.00 0.00 178.83 178.07 1i5n h LEU 126 N -0.29 0.65 0.54 1.46 3.38 -1.56 -1.78 115.31 117.71 1i5n h LEU 126 Ca 0.00 -0.01 -0.02 0.00 0.09 0.00 0.00 57.88 57.94 1i5n h LEU 126 Cb 0.28 -0.15 -0.00 0.00 0.09 0.00 0.00 40.66 40.87 1i5n h LEU 126 CO -0.04 0.46 -0.32 0.00 0.09 0.00 0.00 178.44 178.64 1i5n h ALA 127 N 1.23 -0.82 -0.55 1.53 0.00 -1.33 0.77 119.26 120.09 1i5n h ALA 127 Ca 0.22 -0.16 0.06 0.00 0.00 0.00 0.00 54.91 55.03 1i5n h ALA 127 Cb -0.05 0.39 -0.03 0.00 0.00 0.00 0.00 17.79 18.09 1i5n h ALA 127 CO -0.07 -0.97 0.37 -0.07 0.00 0.00 0.00 179.25 178.51 1i5n h LEU 128 N -0.81 0.46 -0.24 0.00 3.38 -1.40 -0.41 115.31 116.31 1i5n h LEU 128 Ca -0.06 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.89 1i5n h LEU 128 Cb 0.65 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 41.29 1i5n h LEU 128 CO 0.07 0.30 0.08 -0.08 0.09 0.00 0.00 178.44 178.90 1i5n h GLU 129 N 0.53 0.36 -0.38 1.13 4.81 -0.79 0.96 114.58 121.20 1i5n h GLU 129 Ca 0.24 -0.08 -0.09 0.00 -0.13 0.00 0.00 59.36 59.30 1i5n h GLU 129 Cb 0.26 -0.05 -0.02 0.00 0.63 0.00 0.00 28.75 29.57 1i5n h GLU 129 CO -0.07 0.44 -0.14 0.00 -0.73 0.00 0.00 179.01 178.51 1i5n h ALA 130 N 0.91 1.04 -0.00 2.92 0.00 0.03 -1.98 119.26 122.17 1i5n h ALA 130 Ca 0.08 -0.32 -0.19 0.00 0.00 0.00 0.00 54.91 54.48 1i5n h ALA 130 Cb 0.23 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.85 1i5n h ALA 130 CO -0.00 0.58 -0.85 0.87 0.00 0.00 0.00 179.25 179.85 1i5n h LYS 131 N 0.62 0.17 -0.67 0.00 1.57 -0.90 -3.19 116.57 114.18 1i5n h LYS 131 Ca 0.10 -0.18 -0.04 0.00 -1.87 0.00 0.00 60.65 58.66 1i5n h LYS 131 Cb 0.60 0.05 -0.03 0.00 0.08 0.00 0.00 32.23 32.93 1i5n h LYS 131 CO 0.04 0.92 0.25 0.78 -0.57 0.00 0.00 179.45 180.87 1i5n h GLY 132 N 1.90 1.08 1.00 3.86 0.00 0.14 -3.51 103.07 107.54 1i5n h GLY 132 Ca -0.04 -0.58 0.00 0.00 0.00 0.00 0.00 47.33 46.71 1i5n h GLY 132 CO 0.13 0.55 0.00 -1.84 0.00 0.00 0.00 176.54 175.38