#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1i5n n SER 6 N 0.00 0.42 0.03 9.51 7.64 -1.26 -1.49 113.62 128.47 1i5n n SER 6 Ca 0.00 0.64 0.13 0.00 1.01 0.00 0.00 58.87 60.65 1i5n n SER 6 Cb 0.00 -0.71 0.55 0.00 -1.01 0.00 0.00 64.21 63.03 1i5n n SER 6 CO 0.00 0.00 0.00 0.47 -3.01 0.00 0.00 175.04 172.50 1i5n n ASP 7 N -2.00 0.21 -0.49 6.43 8.00 -1.26 -3.50 116.55 123.94 1i5n n ASP 7 Ca 0.01 0.52 0.05 0.00 0.71 0.00 0.00 54.79 56.08 1i5n n ASP 7 Cb 0.14 -0.58 0.12 0.00 -0.02 0.00 0.00 41.12 40.78 1i5n n ASP 7 CO 0.00 0.00 0.00 0.49 -0.39 0.00 0.00 177.20 177.30 1i5n n PHE 8 N -1.70 0.38 0.15 1.24 3.01 -0.56 -4.67 117.46 115.31 1i5n n PHE 8 Ca 0.06 -0.54 -0.14 0.00 1.01 0.00 0.00 57.45 57.84 1i5n n PHE 8 Cb 0.35 -0.06 -0.08 0.00 -0.01 0.00 0.00 39.48 39.68 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 1.46 -0.34 -0.73 1.38 0.05 -1.65 -1.62 116.97 115.50 1i5n h TYR 9 Ca 0.00 -0.01 0.12 0.00 0.05 0.00 0.00 58.73 58.89 1i5n h TYR 9 Cb 0.74 0.11 -0.09 0.00 1.01 0.00 0.00 36.73 38.51 1i5n h TYR 9 CO 0.19 -0.06 0.32 1.96 -1.05 0.00 0.00 178.16 179.52 1i5n h GLN 10 N -0.62 0.49 -0.25 4.88 7.50 -1.83 0.78 115.11 126.06 1i5n h GLN 10 Ca -0.04 -0.03 -0.01 0.00 0.50 0.00 0.00 58.65 59.08 1i5n h GLN 10 Cb 0.44 -0.11 -0.01 0.00 0.05 0.00 0.00 27.48 27.85 1i5n h GLN 10 CO 0.06 0.32 0.13 1.15 -1.50 0.00 0.00 178.83 179.00 1i5n h THR 11 N 0.50 1.13 -0.30 -0.54 2.02 -1.82 -0.98 112.91 112.92 1i5n h THR 11 Ca 0.39 -0.35 -0.10 0.00 0.77 0.00 0.00 66.41 67.12 1i5n h THR 11 Cb 0.52 0.90 -0.01 0.00 -1.74 0.00 0.00 68.15 67.82 1i5n h THR 11 CO -0.35 0.13 -0.22 0.15 0.37 0.00 0.00 175.52 175.60 1i5n h PHE 12 N 0.29 0.64 -0.66 3.16 3.04 -0.59 -1.60 116.94 121.21 1i5n h PHE 12 Ca 0.09 -0.13 -0.02 0.00 3.98 0.00 0.00 57.97 61.89 1i5n h PHE 12 Cb 0.08 -0.16 -0.03 0.00 2.56 0.00 0.00 35.95 38.41 1i5n h PHE 12 CO -0.03 0.75 0.34 0.74 -2.02 0.00 0.00 178.31 178.09 1i5n h PHE 13 N 0.51 0.94 -0.06 0.41 0.05 -0.52 0.20 116.94 118.46 1i5n h PHE 13 Ca 0.08 -0.04 -0.00 0.00 3.82 0.00 0.00 57.97 61.83 1i5n h PHE 13 Cb 0.66 -0.29 -0.00 0.00 2.00 0.00 0.00 35.95 38.32 1i5n h PHE 13 CO 0.03 0.69 0.03 -0.44 -0.18 0.00 0.00 178.31 178.44 1i5n h ASP 14 N 0.91 0.07 -0.50 2.17 3.32 -0.88 -1.77 116.42 119.75 1i5n h ASP 14 Ca 0.23 -0.07 -0.02 0.00 0.02 0.00 0.00 57.03 57.19 1i5n h ASP 14 Cb 0.08 -0.02 -0.02 0.00 0.22 0.00 0.00 39.33 39.59 1i5n h ASP 14 CO -0.03 0.13 0.23 -0.33 -1.72 0.00 0.00 179.24 177.51 1i5n h GLU 15 N 0.02 0.73 -0.62 3.56 5.08 -1.07 -2.85 114.58 119.43 1i5n h GLU 15 Ca 0.02 -0.12 -0.04 0.00 -1.00 0.00 0.00 59.36 58.23 1i5n h GLU 15 Cb 0.07 -0.13 -0.03 0.00 0.50 0.00 0.00 28.75 29.16 1i5n h GLU 15 CO -0.00 0.62 0.24 0.00 -1.00 0.00 0.00 179.01 178.87 1i5n h ALA 16 N 1.07 0.81 -0.38 3.43 0.00 -0.52 -0.49 119.26 123.17 1i5n h ALA 16 Ca 0.17 -0.17 0.06 0.00 0.00 0.00 0.00 54.91 54.97 1i5n h ALA 16 Cb 0.14 -0.24 -0.05 0.00 0.00 0.00 0.00 17.79 17.64 1i5n h ALA 16 CO -0.02 0.43 0.07 -0.44 0.00 0.00 0.00 179.25 179.29 1i5n h ASP 17 N 0.87 0.01 -0.22 0.00 3.32 -1.20 0.59 116.42 119.78 1i5n h ASP 17 Ca 0.21 0.06 -0.01 0.00 0.02 0.00 0.00 57.03 57.31 1i5n h ASP 17 Cb 0.21 0.09 -0.01 0.00 0.22 0.00 0.00 39.33 39.84 1i5n h ASP 17 CO -0.02 0.04 0.08 -0.08 -1.72 0.00 0.00 179.24 177.55 1i5n h GLU 18 N 0.20 0.33 -0.73 3.56 4.57 -1.26 -1.71 114.58 119.54 1i5n h GLU 18 Ca 0.18 -0.06 -0.05 0.00 -1.18 0.00 0.00 59.36 58.25 1i5n h GLU 18 Cb 0.22 -0.05 -0.03 0.00 -0.16 0.00 0.00 28.75 28.72 1i5n h GLU 18 CO -0.24 0.40 0.25 -0.07 -1.18 0.00 0.00 179.01 178.17 1i5n h LEU 19 N 0.19 1.03 -0.42 1.64 3.38 -0.79 -0.69 115.31 119.65 1i5n h LEU 19 Ca 0.07 -0.18 -0.08 0.00 0.09 0.00 0.00 57.88 57.78 1i5n h LEU 19 Cb 0.19 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 40.66 1i5n h LEU 19 CO -0.00 0.94 -0.07 -0.07 0.09 0.00 0.00 178.44 179.33 1i5n h LEU 20 N 1.07 0.78 -0.59 1.67 3.38 -0.79 -3.11 115.31 117.73 1i5n h LEU 20 Ca 0.24 -0.35 -0.07 0.00 0.09 0.00 0.00 57.88 57.79 1i5n h LEU 20 Cb 0.26 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 40.78 1i5n h LEU 20 CO -0.01 0.95 0.11 0.00 0.09 0.00 0.00 178.44 179.57 1i5n h ALA 21 N 0.86 0.79 0.00 1.53 0.00 -1.10 -1.65 119.26 119.69 1i5n h ALA 21 Ca 0.11 -0.25 0.00 0.00 0.00 0.00 0.00 54.91 54.77 1i5n h ALA 21 Cb 0.59 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 18.15 1i5n h ALA 21 CO 0.04 0.53 0.00 -0.25 0.00 0.00 0.00 179.25 179.57 1i5n n ASP 22 N -4.32 1.30 0.00 0.00 8.00 -0.28 -1.79 116.55 119.45 1i5n n ASP 22 Ca 0.03 -0.88 0.00 0.00 0.71 0.00 0.00 54.79 54.65 1i5n n ASP 22 Cb 0.27 -0.22 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 0.76 0.00 -0.23 -1.24 2.13 -0.62 -1.34 120.64 120.10 1i5n n GLU 24 Ca 0.00 0.00 -0.02 0.00 0.66 0.00 0.00 57.16 57.80 1i5n n GLU 24 Cb 0.22 0.00 0.09 0.00 0.27 0.00 0.00 31.44 32.02 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 0.66 -0.52 5.31 5.75 -1.62 -0.95 115.11 123.74 1i5n h GLN 25 Ca 0.00 -0.04 -0.05 0.00 -0.15 0.00 0.00 58.65 58.41 1i5n h GLN 25 Cb 0.00 -0.15 -0.02 0.00 1.07 0.00 0.00 27.48 28.38 1i5n h GLN 25 CO 0.00 0.44 0.13 0.45 -2.65 0.00 0.00 178.83 177.20 1i5n h HIS 26 N 0.68 0.87 -0.81 3.99 3.86 -1.49 -1.98 115.15 120.27 1i5n h HIS 26 Ca 0.29 -0.10 -0.00 0.00 -1.16 0.00 0.00 60.37 59.40 1i5n h HIS 26 Cb 0.17 -0.25 -0.04 0.00 1.06 0.00 0.00 27.41 28.36 1i5n h HIS 26 CO -0.08 0.76 0.49 -0.07 0.86 0.00 0.00 177.93 179.89 1i5n h LEU 27 N 0.72 0.97 -0.75 2.43 3.38 -1.62 -2.27 115.31 118.17 1i5n h LEU 27 Ca 0.16 -0.06 -0.11 0.00 0.09 0.00 0.00 57.88 57.97 1i5n h LEU 27 Cb 0.33 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 40.82 1i5n h LEU 27 CO 0.00 0.75 -0.22 -0.07 0.09 0.00 0.00 178.44 178.99 1i5n h LEU 28 N 1.12 0.73 -0.86 1.67 3.38 -0.86 -2.92 115.31 117.58 1i5n h LEU 28 Ca 0.29 -0.25 0.00 0.00 0.09 0.00 0.00 57.88 58.01 1i5n h LEU 28 Cb -0.05 -0.20 0.00 0.00 0.09 0.00 0.00 40.66 40.51 1i5n h LEU 28 CO -0.05 0.93 0.00 0.47 0.09 0.00 0.00 178.44 179.87 1i5n n ASP 29 N -4.12 1.28 -4.81 -0.43 8.00 -0.78 -4.90 116.55 110.80 1i5n n ASP 29 Ca 0.00 -1.66 -0.36 0.00 0.71 0.00 0.00 54.79 53.49 1i5n n ASP 29 Cb 0.42 -0.08 -0.06 0.00 -0.02 0.00 0.00 41.12 41.37 1i5n n ASP 29 CO 0.00 0.00 0.00 -0.22 -0.39 0.00 0.00 177.20 176.59 1i5n s LEU 30 N -1.55 4.28 -0.60 0.64 2.96 -0.89 -5.03 118.68 118.49 1i5n s LEU 30 Ca 0.31 1.55 -0.11 0.00 -0.22 0.00 0.00 54.13 55.66 1i5n s LEU 30 Cb 0.16 -3.85 0.15 0.00 0.50 0.00 0.00 46.19 43.15 1i5n s LEU 30 CO 0.25 -0.06 0.51 -0.69 -1.32 0.00 0.00 176.35 175.03 1i5n s VAL 31 N -1.66 4.74 0.21 1.68 1.01 -1.26 -4.99 120.40 120.12 1i5n s VAL 31 Ca 0.48 -2.07 -0.20 0.00 0.00 0.00 0.00 61.98 60.19 1i5n s VAL 31 Cb -0.16 -4.04 0.17 0.00 0.00 0.00 0.00 36.38 32.35 1i5n s VAL 31 CO 0.21 -0.88 1.56 1.55 0.00 0.00 0.00 175.10 177.54 1i5n h PRO 32 N 8.17 -0.05 -0.03 2.72 0.13 -1.88 0.46 132.00 141.52 1i5n h PRO 32 Ca -0.12 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.01 1i5n h PRO 32 Cb 1.05 0.01 0.00 0.00 0.13 0.00 0.00 31.00 32.19 1i5n h PRO 32 CO 0.85 -0.03 0.00 0.39 -0.23 0.00 0.00 178.00 178.98 1i5n n GLU 33 N -5.44 1.11 -2.71 0.86 1.02 -1.25 -3.89 120.64 110.34 1i5n n GLU 33 Ca 0.08 -0.17 -0.08 0.00 -0.02 0.00 0.00 57.16 56.97 1i5n n GLU 33 Cb 0.37 -1.26 0.10 0.00 -0.02 0.00 0.00 31.44 30.63 1i5n n GLU 33 CO 0.00 0.00 0.00 0.43 1.18 0.00 0.00 177.13 178.74 1i5n n SER 34 N -0.58 -2.03 -4.72 1.62 7.64 -0.29 -5.04 113.62 110.21 1i5n n SER 34 Ca 0.12 -2.95 -0.42 0.00 1.01 0.00 0.00 58.87 56.63 1i5n n SER 34 Cb 0.09 1.44 -0.03 0.00 -1.01 0.00 0.00 64.21 64.70 1i5n n SER 34 CO 0.00 0.00 0.00 -2.16 -3.01 0.00 0.00 175.04 169.87 1i5n s PRO 35 N 0.22 4.16 -0.17 1.43 0.04 0.14 -4.60 135.00 136.22 1i5n s PRO 35 Ca 0.21 2.51 -0.29 0.00 0.04 0.00 0.00 61.00 63.47 1i5n s PRO 35 Cb 0.33 -3.09 -0.03 0.00 0.04 0.00 0.00 34.50 31.74 1i5n s PRO 35 CO -0.07 -0.67 1.53 0.34 0.04 0.00 0.00 177.00 178.16 1i5n s ASP 36 N 1.03 6.59 0.26 6.66 -1.08 -1.26 -4.92 116.67 123.96 1i5n s ASP 36 Ca 0.71 1.77 -0.07 0.00 -0.52 0.00 0.00 52.55 54.44 1i5n s ASP 36 Cb -0.47 -2.53 0.46 0.00 -1.46 0.00 0.00 42.92 38.91 1i5n s ASP 36 CO 0.34 -1.05 1.59 0.00 0.52 0.00 0.00 175.17 176.58 1i5n h ALA 37 N 9.79 0.72 -0.15 3.66 0.00 -1.99 -0.11 119.26 131.18 1i5n h ALA 37 Ca -0.33 0.31 -0.13 0.00 0.00 0.00 0.00 54.91 54.76 1i5n h ALA 37 Cb 1.15 0.59 -0.01 0.00 0.00 0.00 0.00 17.79 19.51 1i5n h ALA 37 CO 0.98 -0.43 -0.48 0.93 0.00 0.00 0.00 179.25 180.25 1i5n h GLU 38 N 0.03 0.39 -0.51 0.00 4.39 -1.99 -1.09 114.58 115.79 1i5n h GLU 38 Ca 0.45 -0.22 -0.05 0.00 0.34 0.00 0.00 59.36 59.88 1i5n h GLU 38 Cb 0.76 0.01 -0.02 0.00 -0.10 0.00 0.00 28.75 29.40 1i5n h GLU 38 CO -0.84 0.79 0.14 1.96 -1.16 0.00 0.00 179.01 179.90 1i5n h GLN 39 N 0.31 0.80 -0.69 2.33 4.20 -1.49 -0.67 115.11 119.91 1i5n h GLN 39 Ca 0.02 -0.19 -0.01 0.00 0.06 0.00 0.00 58.65 58.53 1i5n h GLN 39 Cb 0.97 -0.11 -0.03 0.00 0.30 0.00 0.00 27.48 28.61 1i5n h GLN 39 CO 0.08 0.76 0.38 1.25 -0.67 0.00 0.00 178.83 180.63 1i5n h LEU 40 N 0.70 0.86 -0.47 1.46 5.85 -0.96 -2.21 115.31 120.54 1i5n h LEU 40 Ca 0.16 -0.10 0.03 0.00 0.84 0.00 0.00 57.88 58.82 1i5n h LEU 40 Cb 0.31 -0.22 -0.04 0.00 0.37 0.00 0.00 40.66 41.08 1i5n h LEU 40 CO -0.00 0.71 0.25 0.78 -0.34 0.00 0.00 178.44 179.85 1i5n h ASN 41 N 0.95 0.39 -0.39 1.25 2.35 -0.67 -0.58 115.58 118.87 1i5n h ASN 41 Ca 0.24 0.02 -0.01 0.00 -0.55 0.00 0.00 56.30 56.00 1i5n h ASN 41 Cb 0.04 -0.06 -0.02 0.00 0.05 0.00 0.00 38.32 38.33 1i5n h ASN 41 CO -0.04 0.27 0.21 0.00 -1.65 0.00 0.00 177.43 176.22 1i5n h ALA 42 N 1.24 1.57 -0.08 -0.83 0.00 -0.79 0.12 119.26 120.49 1i5n h ALA 42 Ca 0.20 -0.09 -0.10 0.00 0.00 0.00 0.00 54.91 54.93 1i5n h ALA 42 Cb 0.08 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 17.69 1i5n h ALA 42 CO -0.12 0.35 -0.33 0.82 0.00 0.00 0.00 179.25 179.97 1i5n h ILE 43 N 0.59 1.42 -0.21 0.00 2.04 -0.80 -2.25 117.51 118.29 1i5n h ILE 43 Ca 0.15 -1.72 0.02 0.00 1.00 0.00 0.00 64.86 64.31 1i5n h ILE 43 Cb 0.05 2.30 -0.02 0.00 -0.74 0.00 0.00 36.82 38.41 1i5n h ILE 43 CO -0.02 0.50 0.08 0.15 0.00 0.00 0.00 178.15 178.86 1i5n h PHE 44 N -0.12 0.15 -0.50 1.37 3.04 -0.73 -2.24 116.94 117.90 1i5n h PHE 44 Ca -0.02 0.01 0.06 0.00 3.98 0.00 0.00 57.97 62.00 1i5n h PHE 44 Cb 0.98 -0.04 -0.05 0.00 2.56 0.00 0.00 35.95 39.40 1i5n h PHE 44 CO 0.13 0.08 0.22 -0.09 -2.02 0.00 0.00 178.31 176.63 1i5n h ARG 45 N 0.19 0.42 -0.20 1.11 2.43 -0.81 0.14 114.38 117.67 1i5n h ARG 45 Ca 0.09 -0.03 0.02 0.00 -0.81 0.00 0.00 59.98 59.25 1i5n h ARG 45 Cb 0.05 -0.10 -0.02 0.00 -0.42 0.00 0.00 29.97 29.48 1i5n h ARG 45 CO -0.09 0.28 0.08 0.00 -1.51 0.00 0.00 179.97 178.73 1i5n h ALA 46 N 1.30 0.22 -0.48 2.80 0.00 -1.09 0.14 119.26 122.15 1i5n h ALA 46 Ca 0.23 0.02 -0.01 0.00 0.00 0.00 0.00 54.91 55.15 1i5n h ALA 46 Cb 0.19 -0.00 -0.02 0.00 0.00 0.00 0.00 17.79 17.95 1i5n h ALA 46 CO -0.19 -0.35 0.27 0.00 0.00 0.00 0.00 179.25 178.98 1i5n h ALA 47 N 1.12 0.61 -0.70 0.00 0.00 -0.94 -0.91 119.26 118.44 1i5n h ALA 47 Ca 0.08 -0.08 0.03 0.00 0.00 0.00 0.00 54.91 54.94 1i5n h ALA 47 Cb 0.04 -0.19 -0.04 0.00 0.00 0.00 0.00 17.79 17.60 1i5n h ALA 47 CO -0.08 0.13 0.44 1.25 0.00 0.00 0.00 179.25 180.99 1i5n h HIS 48 N 0.63 0.82 -0.71 0.00 6.17 -0.44 0.49 115.15 122.11 1i5n h HIS 48 Ca 0.17 0.02 -0.06 0.00 0.71 0.00 0.00 60.37 61.21 1i5n h HIS 48 Cb 0.04 -0.27 -0.03 0.00 2.52 0.00 0.00 27.41 29.67 1i5n h HIS 48 CO -0.02 0.47 0.20 1.03 0.71 0.00 0.00 177.93 180.32 1i5n h SER 49 N 0.86 1.06 -0.23 3.26 0.87 -0.28 -2.30 113.55 116.80 1i5n h SER 49 Ca 0.28 -0.22 -0.03 0.00 -1.23 0.00 0.00 61.79 60.59 1i5n h SER 49 Cb 0.01 -0.28 -0.01 0.00 -0.44 0.00 0.00 62.40 61.68 1i5n h SER 49 CO -0.10 1.00 0.04 0.40 -0.53 0.00 0.00 176.83 177.64 1i5n h ILE 50 N 1.06 1.22 -0.35 2.23 2.04 -0.63 -2.49 117.51 120.59 1i5n h ILE 50 Ca 0.23 -0.75 0.06 0.00 1.00 0.00 0.00 64.86 65.40 1i5n h ILE 50 Cb 0.34 1.27 -0.05 0.00 -0.74 0.00 0.00 36.82 37.64 1i5n h ILE 50 CO -0.00 0.23 0.03 0.50 0.00 0.00 0.00 178.15 178.92 1i5n h LYS 51 N 0.19 0.14 -0.58 2.37 3.64 -0.74 0.48 116.57 122.06 1i5n h LYS 51 Ca 0.07 -0.01 -0.02 0.00 -1.27 0.00 0.00 60.65 59.42 1i5n h LYS 51 Cb 0.31 -0.03 -0.03 0.00 -0.41 0.00 0.00 32.23 32.08 1i5n h LYS 51 CO 0.00 0.09 0.28 0.78 -2.27 0.00 0.00 179.45 178.34 1i5n h GLY 52 N 0.14 0.89 0.95 5.01 0.00 -1.38 -0.47 103.07 108.20 1i5n h GLY 52 Ca 0.17 -0.44 -0.01 0.00 0.00 0.00 0.00 47.33 47.05 1i5n h GLY 52 CO -0.26 0.42 0.17 -1.33 0.00 0.00 0.00 176.54 175.54 1i5n h GLY 53 N 0.79 0.56 0.78 4.60 0.00 -0.99 -0.68 103.07 108.12 1i5n h GLY 53 Ca 0.20 -0.28 0.05 0.00 0.00 0.00 0.00 47.33 47.30 1i5n h GLY 53 CO -0.03 0.26 0.58 0.00 0.00 0.00 0.00 176.54 177.36 1i5n h ALA 54 N 1.02 1.24 -0.64 3.60 0.00 -0.63 -1.05 119.26 122.80 1i5n h ALA 54 Ca 0.12 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 55.00 1i5n h ALA 54 Cb 0.12 -0.28 -0.03 0.00 0.00 0.00 0.00 17.79 17.60 1i5n h ALA 54 CO -0.02 0.38 0.36 0.78 0.00 0.00 0.00 179.25 180.75 1i5n h GLY 55 N 1.09 0.96 1.00 0.00 0.00 -0.58 -0.05 103.07 105.49 1i5n h GLY 55 Ca 0.39 -0.43 -0.03 0.00 0.00 0.00 0.00 47.33 47.25 1i5n h GLY 55 CO -0.15 0.42 0.28 -0.84 0.00 0.00 0.00 176.54 176.24 1i5n h THR 56 N 0.88 1.23 -0.03 4.70 2.02 0.08 -3.00 112.91 118.79 1i5n h THR 56 Ca 0.23 -0.69 0.00 0.00 0.77 0.00 0.00 66.41 66.71 1i5n h THR 56 Cb 0.04 0.49 0.00 0.00 -1.74 0.00 0.00 68.15 66.94 1i5n h THR 56 CO -0.04 0.28 0.00 0.49 0.37 0.00 0.00 175.52 176.62 1i5n n PHE 57 N -4.45 0.02 -1.82 3.16 3.01 -0.59 -4.92 117.46 111.88 1i5n n PHE 57 Ca 0.04 -0.01 -0.02 0.00 1.01 0.00 0.00 57.45 58.47 1i5n n PHE 57 Cb 0.15 0.00 -0.00 0.00 -0.01 0.00 0.00 39.48 39.62 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 1.13 0.34 3.16 1.37 0.00 -0.80 -4.95 105.19 105.45 1i5n n GLY 58 Ca 0.19 -0.85 -0.43 0.00 0.00 0.00 0.00 46.02 44.93 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 -3.77 3.97 -0.14 1.61 0.99 -0.10 -4.85 117.46 115.16 1i5n n PHE 59 Ca -0.02 -3.04 -0.07 0.00 -0.00 0.00 0.00 57.45 54.31 1i5n n PHE 59 Cb 0.42 -2.15 -0.01 0.00 -1.00 0.00 0.00 39.48 36.74 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 4.28 0.21 -0.51 4.37 2.02 -1.93 0.01 112.91 121.37 1i5n h THR 60 Ca 0.38 0.00 -0.02 0.00 0.77 0.00 0.00 66.41 67.54 1i5n h THR 60 Cb 0.75 0.21 -0.02 0.00 -1.74 0.00 0.00 68.15 67.35 1i5n h THR 60 CO 1.47 0.00 0.25 0.40 0.37 0.00 0.00 175.52 178.02 1i5n h ILE 61 N -0.23 1.19 -0.51 3.11 2.04 -1.97 -1.10 117.51 120.05 1i5n h ILE 61 Ca 0.19 -0.53 -0.11 0.00 1.00 0.00 0.00 64.86 65.41 1i5n h ILE 61 Cb 0.54 0.60 -0.02 0.00 -0.74 0.00 0.00 36.82 37.20 1i5n h ILE 61 CO -0.58 0.21 -0.12 0.25 0.00 0.00 0.00 178.15 177.92 1i5n h LEU 62 N 0.68 0.98 -0.12 1.44 5.85 -1.88 -1.73 115.31 120.54 1i5n h LEU 62 Ca 0.18 -0.36 -0.00 0.00 0.84 0.00 0.00 57.88 58.54 1i5n h LEU 62 Cb 0.10 -0.27 -0.01 0.00 0.37 0.00 0.00 40.66 40.86 1i5n h LEU 62 CO -0.02 1.11 0.07 -0.61 -0.34 0.00 0.00 178.44 178.65 1i5n h GLN 63 N 0.84 0.17 -0.36 1.25 4.15 -0.78 0.00 115.11 120.38 1i5n h GLN 63 Ca 0.13 -0.02 -0.04 0.00 0.77 0.00 0.00 58.65 59.49 1i5n h GLN 63 Cb 0.68 -0.03 -0.01 0.00 0.21 0.00 0.00 27.48 28.33 1i5n h GLN 63 CO 0.05 0.19 0.07 1.49 -1.93 0.00 0.00 178.83 178.70 1i5n h GLU 64 N 0.10 0.58 -0.62 1.69 4.57 -1.18 0.18 114.58 119.90 1i5n h GLU 64 Ca 0.04 -0.15 0.05 0.00 -1.18 0.00 0.00 59.36 58.12 1i5n h GLU 64 Cb 0.07 -0.07 -0.05 0.00 -0.16 0.00 0.00 28.75 28.54 1i5n h GLU 64 CO -0.01 0.64 0.35 1.15 -1.18 0.00 0.00 179.01 179.96 1i5n h THR 65 N 0.43 0.99 -0.22 0.32 2.02 -1.18 -2.08 112.91 113.18 1i5n h THR 65 Ca 0.11 -0.23 -0.17 0.00 0.77 0.00 0.00 66.41 66.90 1i5n h THR 65 Cb 0.33 0.27 -0.00 0.00 -1.74 0.00 0.00 68.15 67.01 1i5n h THR 65 CO 0.00 0.12 -0.53 0.74 0.37 0.00 0.00 175.52 176.22 1i5n h THR 66 N 0.66 1.31 -0.35 3.16 2.02 -0.80 -3.15 112.91 115.75 1i5n h THR 66 Ca 0.27 -1.75 0.03 0.00 0.77 0.00 0.00 66.41 65.73 1i5n h THR 66 Cb 0.14 1.70 -0.03 0.00 -1.74 0.00 0.00 68.15 68.22 1i5n h THR 66 CO -0.16 0.55 0.16 -0.74 0.37 0.00 0.00 175.52 175.70 1i5n h HIS 67 N 0.51 0.30 0.00 3.16 6.17 -0.63 0.26 115.15 124.92 1i5n h HIS 67 Ca 0.01 0.02 0.00 0.00 0.71 0.00 0.00 60.37 61.11 1i5n h HIS 67 Cb 1.09 -0.08 0.00 0.00 2.52 0.00 0.00 27.41 30.94 1i5n h HIS 67 CO 0.05 0.15 0.00 1.28 0.71 0.00 0.00 177.93 180.12 1i5n n LEU 68 N -4.96 0.63 0.00 0.26 4.77 -0.81 -0.49 117.00 116.40 1i5n n LEU 68 Ca 0.01 -0.31 0.00 0.00 -0.03 0.00 0.00 56.01 55.67 1i5n n LEU 68 Cb 0.09 -0.13 0.00 0.00 -2.33 0.00 0.00 43.42 41.06 1i5n n LEU 68 CO 0.30 0.11 0.00 1.21 -1.33 0.00 0.00 177.39 177.68 1i5n n GLU 70 N 0.75 0.00 -0.18 3.23 2.13 0.91 -2.97 120.64 124.51 1i5n n GLU 70 Ca 0.00 0.00 -0.01 0.00 0.66 0.00 0.00 57.16 57.81 1i5n n GLU 70 Cb 0.11 0.00 0.08 0.00 0.27 0.00 0.00 31.44 31.90 1i5n n GLU 70 CO 0.00 0.00 0.00 -0.91 -0.41 0.00 0.00 177.13 175.81 1i5n h ASN 71 N 0.00 -0.23 -0.35 4.31 2.35 -1.02 -0.35 115.58 120.30 1i5n h ASN 71 Ca 0.00 0.13 -0.09 0.00 -0.55 0.00 0.00 56.30 55.80 1i5n h ASN 71 Cb 0.00 0.23 -0.01 0.00 0.05 0.00 0.00 38.32 38.59 1i5n h ASN 71 CO 0.00 -0.09 -0.12 -0.07 -1.65 0.00 0.00 177.43 175.50 1i5n h LEU 72 N 0.13 0.71 -1.31 1.61 3.38 -1.81 -2.79 115.31 115.22 1i5n h LEU 72 Ca 0.29 -0.38 0.01 0.00 0.09 0.00 0.00 57.88 57.88 1i5n h LEU 72 Cb 0.45 -0.19 -0.04 0.00 0.09 0.00 0.00 40.66 40.97 1i5n h LEU 72 CO -0.47 0.93 0.47 -0.07 0.09 0.00 0.00 178.44 179.39 1i5n h LEU 73 N 0.48 0.80 0.31 1.67 3.38 -1.71 -1.29 115.31 118.95 1i5n h LEU 73 Ca 0.08 -0.02 -0.02 0.00 0.09 0.00 0.00 57.88 58.02 1i5n h LEU 73 Cb 0.64 -0.20 0.00 0.00 0.09 0.00 0.00 40.66 41.20 1i5n h LEU 73 CO 0.04 0.58 -0.15 0.44 0.09 0.00 0.00 178.44 179.44 1i5n h ASP 74 N 0.94 -0.35 -0.85 -0.43 3.32 -0.97 -0.93 116.42 117.16 1i5n h ASP 74 Ca 0.26 -0.05 0.20 0.00 0.02 0.00 0.00 57.03 57.46 1i5n h ASP 74 Cb -0.10 0.09 -0.06 0.00 0.22 0.00 0.00 39.33 39.49 1i5n h ASP 74 CO -0.06 -0.17 0.57 -0.33 -1.72 0.00 0.00 179.24 177.54 1i5n h GLU 75 N -0.51 0.30 0.57 3.56 5.08 -1.15 0.27 114.58 122.70 1i5n h GLU 75 Ca -0.04 -0.02 -0.03 0.00 -1.00 0.00 0.00 59.36 58.27 1i5n h GLU 75 Cb 0.38 -0.07 0.01 0.00 0.50 0.00 0.00 28.75 29.57 1i5n h GLU 75 CO 0.07 0.20 -0.27 0.00 -1.00 0.00 0.00 179.01 178.01 1i5n h ALA 76 N 1.62 -0.76 0.00 3.43 0.00 -0.49 0.28 119.26 123.33 1i5n h ALA 76 Ca 0.43 -0.17 -0.01 0.00 0.00 0.00 0.00 54.91 55.16 1i5n h ALA 76 Cb 1.19 0.29 -0.00 0.00 0.00 0.00 0.00 17.79 19.27 1i5n h ALA 76 CO -0.13 -0.71 -0.05 0.07 0.00 0.00 0.00 179.25 178.43 1i5n h ARG 77 N -1.18 0.00 0.03 0.00 0.11 -0.68 -2.95 114.38 109.70 1i5n h ARG 77 Ca -0.08 0.00 -0.00 0.00 0.10 0.00 0.00 59.98 60.00 1i5n h ARG 77 Cb 0.60 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.68 1i5n h ARG 77 CO 0.13 0.05 -0.02 -0.09 0.10 0.00 0.00 179.97 180.14 1i5n h ARG 78 N 0.00 -0.04 0.00 0.08 2.43 -0.44 -3.49 114.38 112.92 1i5n h ARG 78 Ca -0.00 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 1i5n h ARG 78 Cb 0.23 0.01 0.00 0.00 -0.42 0.00 0.00 29.97 29.79 1i5n h ARG 78 CO 0.01 -0.03 0.00 0.41 -1.51 0.00 0.00 179.97 178.85 1i5n n GLY 79 N 1.17 -0.09 0.00 2.80 0.00 0.77 -5.07 105.19 104.77 1i5n n GLY 79 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.01 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 0.00 0.00 -4.19 1.61 1.02 0.03 -4.97 120.64 114.14 1i5n n GLU 80 Ca 0.00 0.30 -0.11 0.00 -0.02 0.00 0.00 57.16 57.33 1i5n n GLU 80 Cb 0.00 -1.70 -0.10 0.00 -0.02 0.00 0.00 31.44 29.62 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 -2.61 0.89 0.36 3.49 0.74 -1.26 -5.03 119.66 116.24 1i5n s GLN 82 Ca -0.00 -1.36 0.07 0.00 0.05 0.00 0.00 55.36 54.12 1i5n s GLN 82 Cb 0.00 -0.29 -0.02 0.00 1.10 0.00 0.00 33.01 33.79 1i5n s GLN 82 CO 0.00 -0.00 0.33 -0.51 -0.55 0.00 0.00 175.29 174.56 1i5n s LEU 83 N -3.07 3.56 0.00 3.68 1.43 -1.25 -5.06 118.68 117.97 1i5n s LEU 83 Ca 0.13 -0.55 0.00 0.00 -1.03 0.00 0.00 54.13 52.68 1i5n s LEU 83 Cb 0.05 -2.21 0.00 0.00 0.03 0.00 0.00 46.19 44.06 1i5n s LEU 83 CO -0.03 -0.45 0.00 -0.46 0.23 0.00 0.00 176.35 175.63 1i5n n ASN 84 N -1.45 0.00 0.07 2.29 0.23 -1.26 -3.94 115.26 111.20 1i5n n ASN 84 Ca 0.00 -0.95 -0.09 0.00 -0.53 0.00 0.00 54.58 53.01 1i5n n ASN 84 Cb 0.60 0.00 0.02 0.00 -2.08 0.00 0.00 39.78 38.32 1i5n n ASN 84 CO 0.00 0.00 0.00 0.74 -0.93 0.00 0.00 177.26 177.07 1i5n h THR 85 N 0.95 1.42 -0.32 5.53 2.02 -1.98 -2.56 112.91 117.96 1i5n h THR 85 Ca 0.00 -2.33 -0.15 0.00 0.77 0.00 0.00 66.41 64.71 1i5n h THR 85 Cb 0.00 2.27 -0.01 0.00 -1.74 0.00 0.00 68.15 68.67 1i5n h THR 85 CO 0.00 0.69 -0.38 0.44 0.37 0.00 0.00 175.52 176.64 1i5n h ASP 86 N 0.20 0.81 -0.18 4.18 3.32 -1.98 0.10 116.42 122.87 1i5n h ASP 86 Ca -0.04 -0.36 -0.18 0.00 0.02 0.00 0.00 57.03 56.47 1i5n h ASP 86 Cb 1.39 -0.23 -0.00 0.00 0.22 0.00 0.00 39.33 40.71 1i5n h ASP 86 CO 0.13 1.10 -0.55 0.40 -1.72 0.00 0.00 179.24 178.60 1i5n h ILE 87 N 0.63 1.29 -0.35 0.35 2.04 -1.96 -1.72 117.51 117.78 1i5n h ILE 87 Ca 0.05 -1.75 -0.09 0.00 1.00 0.00 0.00 64.86 64.08 1i5n h ILE 87 Cb 0.93 1.67 -0.02 0.00 -0.74 0.00 0.00 36.82 38.67 1i5n h ILE 87 CO 0.09 0.56 -0.14 0.40 0.00 0.00 0.00 178.15 179.06 1i5n h ILE 88 N 0.59 1.25 -0.18 -0.67 1.08 -1.30 -1.55 117.51 116.73 1i5n h ILE 88 Ca 0.01 -1.13 -0.09 0.00 -0.39 0.00 0.00 64.86 63.26 1i5n h ILE 88 Cb 1.14 1.13 -0.01 0.00 -3.07 0.00 0.00 36.82 36.00 1i5n h ILE 88 CO 0.12 0.38 -0.28 0.78 -0.69 0.00 0.00 178.15 178.45 1i5n h ASN 89 N 0.57 0.34 0.12 1.72 2.35 -0.55 -1.27 115.58 118.86 1i5n h ASN 89 Ca 0.10 -0.11 -0.17 0.00 -0.55 0.00 0.00 56.30 55.56 1i5n h ASN 89 Cb 0.57 -0.09 -0.01 0.00 0.05 0.00 0.00 38.32 38.84 1i5n h ASN 89 CO 0.04 0.62 -0.62 0.25 -1.65 0.00 0.00 177.43 176.06 1i5n h LEU 90 N 0.30 0.56 -0.70 1.61 5.85 -0.81 -1.42 115.31 120.69 1i5n h LEU 90 Ca 0.04 -0.32 -0.08 0.00 0.84 0.00 0.00 57.88 58.36 1i5n h LEU 90 Cb 0.66 -0.16 -0.03 0.00 0.37 0.00 0.00 40.66 41.50 1i5n h LEU 90 CO 0.05 1.04 0.07 -0.26 -0.34 0.00 0.00 178.44 179.01 1i5n h PHE 91 N 0.36 1.15 -0.40 1.25 0.05 -0.91 0.10 116.94 118.54 1i5n h PHE 91 Ca -0.01 -0.17 -0.13 0.00 3.82 0.00 0.00 57.97 61.48 1i5n h PHE 91 Cb 1.18 -0.31 -0.01 0.00 2.00 0.00 0.00 35.95 38.80 1i5n h PHE 91 CO 0.04 0.98 -0.27 -0.07 -0.18 0.00 0.00 178.31 178.81 1i5n h LEU 92 N 1.00 0.88 -0.57 1.54 3.38 -1.13 -1.06 115.31 119.36 1i5n h LEU 92 Ca 0.19 -0.35 -0.05 0.00 0.09 0.00 0.00 57.88 57.76 1i5n h LEU 92 Cb 0.47 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 40.95 1i5n h LEU 92 CO 0.02 1.10 0.15 -0.08 0.09 0.00 0.00 178.44 179.72 1i5n h GLU 93 N 0.73 0.91 -0.79 1.13 4.81 -0.92 -2.06 114.58 118.38 1i5n h GLU 93 Ca 0.09 -0.21 -0.00 0.00 -0.13 0.00 0.00 59.36 59.11 1i5n h GLU 93 Cb 0.82 -0.12 -0.04 0.00 0.63 0.00 0.00 28.75 30.04 1i5n h GLU 93 CO 0.07 0.83 0.49 1.15 -0.73 0.00 0.00 179.01 180.83 1i5n h THR 94 N 0.81 1.22 -0.80 0.32 2.02 -0.57 -1.30 112.91 114.61 1i5n h THR 94 Ca 0.18 -0.46 -0.01 0.00 0.77 0.00 0.00 66.41 66.90 1i5n h THR 94 Cb 0.33 0.09 -0.04 0.00 -1.74 0.00 0.00 68.15 66.79 1i5n h THR 94 CO -0.00 0.22 0.47 0.50 0.37 0.00 0.00 175.52 177.09 1i5n h LYS 95 N 1.08 1.09 -0.36 6.66 3.11 -0.80 -2.46 116.57 124.89 1i5n h LYS 95 Ca 0.29 -0.10 -0.08 0.00 -2.81 0.00 0.00 60.65 57.95 1i5n h LYS 95 Cb -0.06 -0.23 -0.01 0.00 -1.00 0.00 0.00 32.23 30.93 1i5n h LYS 95 CO -0.06 0.77 -0.07 -0.44 -2.81 0.00 0.00 179.45 176.84 1i5n h ASP 96 N 1.11 0.69 0.00 4.20 3.45 -0.67 0.06 116.42 125.26 1i5n h ASP 96 Ca 0.29 -0.35 0.00 0.00 0.43 0.00 0.00 57.03 57.39 1i5n h ASP 96 Cb -0.03 -0.19 0.00 0.00 -0.56 0.00 0.00 39.33 38.55 1i5n h ASP 96 CO -0.05 0.88 0.00 -0.38 -1.57 0.00 0.00 179.24 178.12 1i5n n ILE 97 N -4.41 0.06 0.00 0.35 5.41 -0.56 -1.57 119.36 118.64 1i5n n ILE 97 Ca -0.02 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.73 1i5n n ILE 97 Cb 0.33 -0.32 0.00 0.00 -0.71 0.00 0.00 39.64 38.94 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 0.70 0.00 0.02 0.38 -0.06 0.01 -0.82 117.38 117.61 1i5n n GLN 99 Ca 0.00 0.00 -0.05 0.00 -2.00 0.00 0.00 57.00 54.95 1i5n n GLN 99 Cb 0.05 0.00 0.17 0.00 -4.06 0.00 0.00 30.24 26.39 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 0.48 -0.16 3.69 5.08 -1.55 -0.77 114.58 121.35 1i5n h GLU 100 Ca 0.00 -0.21 -0.01 0.00 -1.00 0.00 0.00 59.36 58.14 1i5n h GLU 100 Cb 0.00 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.23 1i5n h GLU 100 CO 0.00 0.75 0.05 1.96 -1.00 0.00 0.00 179.01 180.77 1i5n h GLN 101 N 0.41 0.26 -0.30 2.33 4.20 -1.24 -1.92 115.11 118.85 1i5n h GLN 101 Ca 0.05 -0.06 0.03 0.00 0.06 0.00 0.00 58.65 58.74 1i5n h GLN 101 Cb 0.77 -0.04 -0.03 0.00 0.30 0.00 0.00 27.48 28.48 1i5n h GLN 101 CO 0.06 0.38 0.10 1.25 -0.67 0.00 0.00 178.83 179.95 1i5n h LEU 102 N 0.08 0.11 -1.90 1.46 5.85 -1.77 -1.89 115.31 117.25 1i5n h LEU 102 Ca 0.05 0.03 0.03 0.00 0.84 0.00 0.00 57.88 58.84 1i5n h LEU 102 Cb 0.23 0.02 -0.01 0.00 0.37 0.00 0.00 40.66 41.27 1i5n h LEU 102 CO -0.00 0.10 0.14 0.44 -0.34 0.00 0.00 178.44 178.78 1i5n h ASP 103 N 0.23 0.11 -0.35 1.25 3.32 -1.02 -1.41 116.42 118.55 1i5n h ASP 103 Ca 0.13 -0.00 -0.07 0.00 0.02 0.00 0.00 57.03 57.12 1i5n h ASP 103 Cb 0.10 -0.03 -0.01 0.00 0.22 0.00 0.00 39.33 39.61 1i5n h ASP 103 CO -0.14 0.08 -0.04 0.00 -1.72 0.00 0.00 179.24 177.42 1i5n h ALA 104 N 1.89 0.48 -0.39 3.45 0.00 -0.54 -2.28 119.26 121.87 1i5n h ALA 104 Ca 0.09 -0.27 -0.07 0.00 0.00 0.00 0.00 54.91 54.66 1i5n h ALA 104 Cb 0.19 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 17.83 1i5n h ALA 104 CO -0.01 0.28 -0.04 1.88 0.00 0.00 0.00 179.25 181.36 1i5n h TYR 105 N 0.44 0.69 -0.45 0.00 -1.99 -0.99 0.65 116.97 115.33 1i5n h TYR 105 Ca 0.09 -0.09 -0.00 0.00 2.00 0.00 0.00 58.73 60.73 1i5n h TYR 105 Cb 0.52 -0.19 -0.02 0.00 2.00 0.00 0.00 36.73 39.03 1i5n h TYR 105 CO 0.04 0.68 0.27 0.87 -0.00 0.00 0.00 178.16 180.02 1i5n h LYS 106 N 0.61 0.60 -0.67 4.88 1.57 -1.04 -1.12 116.57 121.40 1i5n h LYS 106 Ca 0.12 -0.05 0.00 0.00 -1.87 0.00 0.00 60.65 58.85 1i5n h LYS 106 Cb 0.44 -0.13 0.00 0.00 0.08 0.00 0.00 32.23 32.62 1i5n h LYS 106 CO 0.02 0.42 0.00 0.09 -0.57 0.00 0.00 179.45 179.42 1i5n n ASN 107 N -4.44 4.77 -3.09 0.86 3.02 -0.83 -4.89 115.26 110.66 1i5n n ASN 107 Ca 0.04 -2.74 -0.21 0.00 -0.03 0.00 0.00 54.58 51.64 1i5n n ASN 107 Cb 0.08 -0.65 0.01 0.00 -0.61 0.00 0.00 39.78 38.61 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 0.51 -4.51 -4.85 6.41 7.64 -0.43 -4.96 113.62 113.43 1i5n n SER 108 Ca 0.22 -0.26 -0.21 0.00 1.01 0.00 0.00 58.87 59.63 1i5n n SER 108 Cb 1.00 -3.71 -0.04 0.00 -1.01 0.00 0.00 64.21 60.45 1i5n n SER 108 CO 0.00 0.00 0.00 -0.70 -3.01 0.00 0.00 175.04 171.33 1i5n s GLU 109 N -5.74 2.69 -0.05 1.43 2.12 0.22 -4.99 118.70 114.38 1i5n s GLU 109 Ca 0.30 -1.33 -0.10 0.00 0.36 0.00 0.00 54.97 54.20 1i5n s GLU 109 Cb -0.15 -2.46 -0.05 0.00 0.26 0.00 0.00 34.13 31.74 1i5n s GLU 109 CO 0.37 0.06 0.26 -2.00 -0.54 0.00 0.00 175.26 173.40 1i5n s GLU 110 N -4.01 3.63 0.93 4.30 2.56 -1.26 -3.73 118.70 121.13 1i5n s GLU 110 Ca 0.42 0.07 -0.11 0.00 0.00 0.00 0.00 54.97 55.34 1i5n s GLU 110 Cb -0.05 -3.18 0.15 0.00 2.00 0.00 0.00 34.13 33.05 1i5n s GLU 110 CO 0.27 0.72 1.09 -1.25 -0.56 0.00 0.00 175.26 175.53 1i5n s PRO 111 N -1.19 0.93 -0.23 4.30 0.04 -1.26 -4.93 135.00 132.66 1i5n s PRO 111 Ca 0.20 0.94 -0.29 0.00 0.04 0.00 0.00 61.00 61.89 1i5n s PRO 111 Cb -0.14 -1.76 -0.02 0.00 0.04 0.00 0.00 34.50 32.62 1i5n s PRO 111 CO 0.09 -2.50 1.57 0.34 0.04 0.00 0.00 177.00 176.54 1i5n s ASP 112 N -3.18 6.44 0.28 6.66 2.15 -1.26 -4.91 116.67 122.85 1i5n s ASP 112 Ca 0.65 1.58 -0.02 0.00 0.43 0.00 0.00 52.55 55.19 1i5n s ASP 112 Cb -0.20 -2.53 0.41 0.00 -0.30 0.00 0.00 42.92 40.30 1i5n s ASP 112 CO 0.58 -1.21 1.87 0.00 -0.17 0.00 0.00 175.17 176.23 1i5n h ALA 113 N 10.45 1.27 0.66 3.66 0.00 -1.99 -2.59 119.26 130.71 1i5n h ALA 113 Ca -0.33 -0.16 -0.03 0.00 0.00 0.00 0.00 54.91 54.40 1i5n h ALA 113 Cb 1.14 -0.25 -0.00 0.00 0.00 0.00 0.00 17.79 18.68 1i5n h ALA 113 CO 1.00 0.54 -0.41 0.00 0.00 0.00 0.00 179.25 180.39 1i5n h ALA 114 N 1.38 -1.04 -0.14 0.00 0.00 -2.00 -1.80 119.26 115.66 1i5n h ALA 114 Ca 0.21 -0.21 -0.05 0.00 0.00 0.00 0.00 54.91 54.87 1i5n h ALA 114 Cb 0.17 0.50 -0.01 0.00 0.00 0.00 0.00 17.79 18.45 1i5n h ALA 114 CO -0.02 -1.10 -0.15 0.77 0.00 0.00 0.00 179.25 178.75 1i5n h SER 115 N -1.01 0.21 0.33 0.00 0.02 -1.99 -1.33 113.55 109.78 1i5n h SER 115 Ca -0.08 -0.04 -0.01 0.00 -0.84 0.00 0.00 61.79 60.81 1i5n h SER 115 Cb 0.82 -0.06 -0.01 0.00 0.14 0.00 0.00 62.40 63.29 1i5n h SER 115 CO 0.08 0.39 -0.21 0.15 -1.14 0.00 0.00 176.83 176.10 1i5n h PHE 116 N 0.21 -0.54 -0.53 3.45 3.57 -1.23 0.78 116.94 122.65 1i5n h PHE 116 Ca 0.04 -0.01 -0.10 0.00 3.53 0.00 0.00 57.97 61.43 1i5n h PHE 116 Cb 0.40 0.19 -0.02 0.00 2.79 0.00 0.00 35.95 39.31 1i5n h PHE 116 CO 0.01 -0.32 -0.08 0.93 -2.23 0.00 0.00 178.31 176.62 1i5n h GLU 117 N -0.52 0.97 -0.22 1.11 5.08 -1.17 -1.69 114.58 118.14 1i5n h GLU 117 Ca -0.03 -0.33 -0.00 0.00 -1.00 0.00 0.00 59.36 57.99 1i5n h GLU 117 Cb 0.43 -0.08 -0.01 0.00 0.50 0.00 0.00 28.75 29.59 1i5n h GLU 117 CO 0.03 1.00 0.14 -0.92 -1.00 0.00 0.00 179.01 178.26 1i5n h TYR 118 N 0.87 0.29 -0.27 4.33 5.03 -1.04 -1.85 116.97 124.32 1i5n h TYR 118 Ca 0.14 0.00 -0.13 0.00 2.58 0.00 0.00 58.73 61.32 1i5n h TYR 118 Cb 0.62 -0.10 -0.01 0.00 1.55 0.00 0.00 36.73 38.79 1i5n h TYR 118 CO 0.04 0.21 -0.38 0.97 -1.32 0.00 0.00 178.16 177.68 1i5n h ILE 119 N 0.28 1.29 -0.29 1.81 6.09 -0.76 -1.13 117.51 124.81 1i5n h ILE 119 Ca 0.08 -1.54 -0.10 0.00 -1.37 0.00 0.00 64.86 61.93 1i5n h ILE 119 Cb 0.01 1.50 -0.01 0.00 0.47 0.00 0.00 36.82 38.78 1i5n h ILE 119 CO -0.02 0.49 -0.24 0.00 -3.07 0.00 0.00 178.15 175.32 1i5n h ASN 121 N 0.49 0.95 -0.66 0.00 2.35 -1.17 -1.39 115.58 116.16 1i5n h ASN 121 Ca 0.07 -0.52 -0.06 0.00 -0.55 0.00 0.00 56.30 55.24 1i5n h ASN 121 Cb 0.68 -0.27 -0.03 0.00 0.05 0.00 0.00 38.32 38.75 1i5n h ASN 121 CO 0.05 1.29 0.19 0.00 -1.65 0.00 0.00 177.43 177.31 1i5n h ALA 122 N 0.69 1.05 -0.06 -0.83 0.00 -0.82 0.04 119.26 119.33 1i5n h ALA 122 Ca 0.02 -0.22 -0.16 0.00 0.00 0.00 0.00 54.91 54.55 1i5n h ALA 122 Cb 1.10 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 18.61 1i5n h ALA 122 CO 0.11 0.63 -0.65 -0.07 0.00 0.00 0.00 179.25 179.27 1i5n h LEU 123 N 1.02 0.30 -0.42 0.00 3.38 -0.97 -2.52 115.31 116.11 1i5n h LEU 123 Ca 0.22 -0.19 -0.18 0.00 0.09 0.00 0.00 57.88 57.83 1i5n h LEU 123 Cb 0.32 -0.09 -0.00 0.00 0.09 0.00 0.00 40.66 40.97 1i5n h LEU 123 CO -0.00 0.87 -0.58 0.03 0.09 0.00 0.00 178.44 178.85 1i5n h ARG 124 N 0.19 0.66 -0.57 1.13 3.08 -0.87 -2.50 114.38 115.50 1i5n h ARG 124 Ca -0.01 -0.43 -0.07 0.00 0.07 0.00 0.00 59.98 59.53 1i5n h ARG 124 Cb 1.18 0.06 -0.02 0.00 0.08 0.00 0.00 29.97 31.27 1i5n h ARG 124 CO 0.10 1.05 0.09 0.37 -1.07 0.00 0.00 179.97 180.51 1i5n h GLN 125 N 0.50 0.96 -0.72 0.04 5.75 -0.96 -2.49 115.11 118.19 1i5n h GLN 125 Ca 0.00 -0.26 -0.01 0.00 -0.15 0.00 0.00 58.65 58.23 1i5n h GLN 125 Cb 1.15 -0.11 -0.03 0.00 1.07 0.00 0.00 27.48 29.56 1i5n h GLN 125 CO 0.12 0.92 0.42 1.25 -2.65 0.00 0.00 178.83 178.88 1i5n h LEU 126 N 0.85 0.87 -1.91 -2.39 6.46 -1.38 -0.24 115.31 117.57 1i5n h LEU 126 Ca 0.17 -0.06 -0.02 0.00 -0.12 0.00 0.00 57.88 57.85 1i5n h LEU 126 Cb 0.43 -0.22 -0.00 0.00 -0.73 0.00 0.00 40.66 40.13 1i5n h LEU 126 CO 0.01 0.68 -0.12 0.00 -0.62 0.00 0.00 178.44 178.40 1i5n h ALA 127 N 1.46 1.48 0.07 1.25 0.00 -1.00 -2.89 119.26 119.64 1i5n h ALA 127 Ca 0.26 -0.11 -0.00 0.00 0.00 0.00 0.00 54.91 55.06 1i5n h ALA 127 Cb -0.01 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.76 1i5n h ALA 127 CO -0.05 0.15 -0.04 -0.07 0.00 0.00 0.00 179.25 179.25 1i5n h LEU 128 N 0.00 -0.08 0.00 0.00 3.38 -0.77 -3.52 115.31 114.32 1i5n h LEU 128 Ca -0.00 -0.53 0.00 0.00 0.09 0.00 0.00 57.88 57.44 1i5n h LEU 128 Cb 0.27 0.02 0.00 0.00 0.09 0.00 0.00 40.66 41.04 1i5n h LEU 128 CO 0.02 0.55 0.00 -0.62 0.09 0.00 0.00 178.44 178.48