#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 0.20 0.00 5.18 2.10 -2.03 0.50 117.51 123.46 1i5n h ILE 5 Ca 0.00 0.00 0.00 0.00 1.08 0.00 0.00 64.86 65.94 1i5n h ILE 5 Cb 0.00 0.92 0.00 0.00 -1.09 0.00 0.00 36.82 36.65 1i5n h ILE 5 CO 0.00 0.00 0.00 -1.54 -1.08 0.00 0.00 178.15 175.53 1i5n n SER 6 N -3.35 0.00 0.00 2.19 3.41 -1.26 -1.92 113.62 112.69 1i5n n SER 6 Ca -0.02 0.43 0.11 0.00 -0.26 0.00 0.00 58.87 59.12 1i5n n SER 6 Cb 0.17 -0.47 0.55 0.00 -0.26 0.00 0.00 64.21 64.20 1i5n n SER 6 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 1i5n n ASP 7 N -1.47 0.00 -0.51 4.04 10.43 0.18 -2.55 116.55 126.67 1i5n n ASP 7 Ca 0.05 0.05 0.05 0.00 2.57 0.00 0.00 54.79 57.50 1i5n n ASP 7 Cb 0.19 -0.32 0.11 0.00 1.84 0.00 0.00 41.12 42.94 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 -1.32 0.30 -0.02 1.24 3.01 -0.81 -4.69 117.46 115.18 1i5n n PHE 8 Ca 0.10 -0.38 -0.13 0.00 1.01 0.00 0.00 57.45 58.05 1i5n n PHE 8 Cb 0.19 -0.02 -0.10 0.00 -0.01 0.00 0.00 39.48 39.53 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 1.79 -0.02 -0.79 1.38 0.99 -1.64 -3.29 116.97 115.39 1i5n h TYR 9 Ca 0.00 -0.00 0.18 0.00 2.00 0.00 0.00 58.73 60.91 1i5n h TYR 9 Cb 0.63 0.01 -0.14 0.00 1.00 0.00 0.00 36.73 38.22 1i5n h TYR 9 CO 0.15 0.57 -0.05 0.37 -0.00 0.00 0.00 178.16 179.19 1i5n h GLN 10 N -0.62 0.06 -0.67 4.88 4.15 -1.84 0.19 115.11 121.26 1i5n h GLN 10 Ca -0.00 -0.00 -0.04 0.00 0.77 0.00 0.00 58.65 59.37 1i5n h GLN 10 Cb 0.59 -0.01 -0.03 0.00 0.21 0.00 0.00 27.48 28.24 1i5n h GLN 10 CO 0.00 0.04 0.24 1.15 -1.93 0.00 0.00 178.83 178.33 1i5n h THR 11 N 0.06 1.24 -0.07 2.39 2.02 -1.90 -1.97 112.91 114.68 1i5n h THR 11 Ca 0.42 -0.78 -0.01 0.00 0.77 0.00 0.00 66.41 66.80 1i5n h THR 11 Cb 0.73 0.47 -0.00 0.00 -1.74 0.00 0.00 68.15 67.60 1i5n h THR 11 CO -0.73 0.31 -0.01 0.15 0.37 0.00 0.00 175.52 175.61 1i5n h PHE 12 N 0.98 0.15 -0.83 3.16 3.04 -0.83 -1.37 116.94 121.24 1i5n h PHE 12 Ca 0.22 -0.03 0.12 0.00 3.98 0.00 0.00 57.97 62.27 1i5n h PHE 12 Cb 0.23 -0.04 -0.08 0.00 2.56 0.00 0.00 35.95 38.62 1i5n h PHE 12 CO 0.02 0.43 0.44 0.74 -2.02 0.00 0.00 178.31 177.92 1i5n h PHE 13 N -0.17 0.78 -0.07 0.41 0.05 -0.61 0.21 116.94 117.54 1i5n h PHE 13 Ca 0.02 0.03 -0.02 0.00 3.82 0.00 0.00 57.97 61.82 1i5n h PHE 13 Cb 0.38 -0.23 -0.00 0.00 2.00 0.00 0.00 35.95 38.10 1i5n h PHE 13 CO 0.04 0.25 -0.05 0.22 -0.18 0.00 0.00 178.31 178.59 1i5n h ASP 14 N 0.68 0.16 -0.42 2.17 3.58 -1.30 -1.97 116.42 119.32 1i5n h ASP 14 Ca 0.43 -0.44 0.05 0.00 0.42 0.00 0.00 57.03 57.49 1i5n h ASP 14 Cb 0.52 -0.05 -0.05 0.00 1.72 0.00 0.00 39.33 41.48 1i5n h ASP 14 CO -0.31 0.57 0.14 -0.08 -2.88 0.00 0.00 179.24 176.68 1i5n h GLU 15 N -0.24 0.29 -0.44 0.28 4.81 -0.54 -2.24 114.58 116.51 1i5n h GLU 15 Ca 0.01 -0.02 0.02 0.00 -0.13 0.00 0.00 59.36 59.25 1i5n h GLU 15 Cb 0.51 -0.07 -0.03 0.00 0.63 0.00 0.00 28.75 29.80 1i5n h GLU 15 CO 0.01 0.19 0.26 0.00 -0.73 0.00 0.00 179.01 178.74 1i5n h ALA 16 N 1.28 0.56 -0.47 2.92 0.00 -0.59 0.11 119.26 123.08 1i5n h ALA 16 Ca 0.20 -0.01 0.04 0.00 0.00 0.00 0.00 54.91 55.14 1i5n h ALA 16 Cb 0.20 -0.12 -0.04 0.00 0.00 0.00 0.00 17.79 17.83 1i5n h ALA 16 CO -0.21 -0.06 0.24 -0.44 0.00 0.00 0.00 179.25 178.78 1i5n h ASP 17 N 0.52 0.35 -0.37 0.00 3.32 -1.08 0.19 116.42 119.35 1i5n h ASP 17 Ca 0.18 0.02 -0.02 0.00 0.02 0.00 0.00 57.03 57.23 1i5n h ASP 17 Cb 0.02 -0.05 -0.02 0.00 0.22 0.00 0.00 39.33 39.51 1i5n h ASP 17 CO -0.08 0.25 0.16 -0.33 -1.72 0.00 0.00 179.24 177.52 1i5n h GLU 18 N 0.48 0.55 -0.01 3.56 4.39 -0.98 -1.18 114.58 121.39 1i5n h GLU 18 Ca 0.20 -0.09 -0.07 0.00 0.34 0.00 0.00 59.36 59.73 1i5n h GLU 18 Cb 0.10 -0.09 -0.01 0.00 -0.10 0.00 0.00 28.75 28.64 1i5n h GLU 18 CO -0.13 0.51 -0.34 -0.07 -1.16 0.00 0.00 179.01 177.82 1i5n h LEU 19 N 0.46 0.02 -0.41 1.33 3.38 -0.35 -1.17 115.31 118.56 1i5n h LEU 19 Ca 0.13 -0.01 -0.18 0.00 0.09 0.00 0.00 57.88 57.91 1i5n h LEU 19 Cb 0.16 -0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.90 1i5n h LEU 19 CO -0.01 0.36 -0.64 -0.07 0.09 0.00 0.00 178.44 178.16 1i5n h LEU 20 N 0.02 0.64 -0.34 1.67 3.38 -0.29 -3.09 115.31 117.31 1i5n h LEU 20 Ca -0.00 -0.38 -0.05 0.00 0.09 0.00 0.00 57.88 57.54 1i5n h LEU 20 Cb 0.61 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 41.16 1i5n h LEU 20 CO 0.04 1.12 0.02 0.00 0.09 0.00 0.00 178.44 179.71 1i5n h ALA 21 N 0.88 0.45 0.00 1.53 0.00 -0.79 -1.72 119.26 119.61 1i5n h ALA 21 Ca -0.01 -0.23 0.00 0.00 0.00 0.00 0.00 54.91 54.67 1i5n h ALA 21 Cb 1.21 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.88 1i5n h ALA 21 CO 0.12 0.19 0.00 -0.25 0.00 0.00 0.00 179.25 179.31 1i5n n ASP 22 N -4.54 0.12 0.00 0.00 8.00 -0.48 -1.90 116.55 117.75 1i5n n ASP 22 Ca -0.02 -0.11 0.00 0.00 0.71 0.00 0.00 54.79 55.37 1i5n n ASP 22 Cb 0.25 -0.03 0.00 0.00 -0.02 0.00 0.00 41.12 41.32 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 0.78 0.00 -0.17 -1.24 2.13 -0.65 -1.24 120.64 120.26 1i5n n GLU 24 Ca 0.00 0.00 -0.08 0.00 0.66 0.00 0.00 57.16 57.74 1i5n n GLU 24 Cb 0.02 0.00 0.01 0.00 0.27 0.00 0.00 31.44 31.74 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 0.71 -0.66 5.31 5.75 -1.66 -0.92 115.11 123.65 1i5n h GLN 25 Ca 0.00 -0.13 -0.04 0.00 -0.15 0.00 0.00 58.65 58.33 1i5n h GLN 25 Cb 0.00 -0.12 -0.03 0.00 1.07 0.00 0.00 27.48 28.40 1i5n h GLN 25 CO 0.00 0.63 0.25 0.45 -2.65 0.00 0.00 178.83 177.51 1i5n h HIS 26 N 0.63 1.02 -0.33 3.99 3.86 -1.44 -1.42 115.15 121.46 1i5n h HIS 26 Ca 0.16 -0.08 0.01 0.00 -1.16 0.00 0.00 60.37 59.30 1i5n h HIS 26 Cb 0.18 -0.30 -0.02 0.00 1.06 0.00 0.00 27.41 28.33 1i5n h HIS 26 CO 0.00 0.81 0.19 -0.07 0.86 0.00 0.00 177.93 179.72 1i5n h LEU 27 N 0.94 0.31 -1.77 2.43 3.38 -1.75 -1.16 115.31 117.69 1i5n h LEU 27 Ca 0.22 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 58.16 1i5n h LEU 27 Cb 0.23 -0.06 -0.00 0.00 0.09 0.00 0.00 40.66 40.91 1i5n h LEU 27 CO -0.01 0.22 -0.15 -0.07 0.09 0.00 0.00 178.44 178.52 1i5n h LEU 28 N 0.39 0.00 -0.09 1.67 3.38 -0.88 -2.52 115.31 117.27 1i5n h LEU 28 Ca 0.13 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.10 1i5n h LEU 28 Cb 0.00 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.75 1i5n h LEU 28 CO -0.06 0.15 -0.50 0.47 0.09 0.00 0.00 178.44 178.59 1i5n n ASP 29 N -4.10 0.64 -4.77 -0.43 8.00 -0.56 -4.94 116.55 110.39 1i5n n ASP 29 Ca -0.02 -0.42 -0.39 0.00 0.71 0.00 0.00 54.79 54.66 1i5n n ASP 29 Cb 0.23 0.30 -0.00 0.00 -0.02 0.00 0.00 41.12 41.63 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 -2.92 4.21 -0.55 0.64 1.43 -0.50 -4.98 118.68 116.01 1i5n s LEU 30 Ca 0.13 2.68 -0.09 0.00 -1.03 0.00 0.00 54.13 55.82 1i5n s LEU 30 Cb 0.18 -3.90 0.14 0.00 0.03 0.00 0.00 46.19 42.64 1i5n s LEU 30 CO 0.69 -0.88 0.42 -0.69 0.23 0.00 0.00 176.35 176.12 1i5n s VAL 31 N -1.25 4.33 0.25 -1.59 1.01 -1.26 -5.00 120.40 116.88 1i5n s VAL 31 Ca 0.57 -2.10 -0.08 0.00 0.00 0.00 0.00 61.98 60.37 1i5n s VAL 31 Cb -0.39 -3.81 0.40 0.00 0.00 0.00 0.00 36.38 32.58 1i5n s VAL 31 CO 0.50 -0.83 1.43 -0.81 0.00 0.00 0.00 175.10 175.39 1i5n n PRO 32 N 4.52 -0.10 0.26 2.72 -0.04 -1.26 -0.44 135.00 140.65 1i5n n PRO 32 Ca -0.02 1.43 0.15 0.00 -0.04 0.00 0.00 63.50 65.02 1i5n n PRO 32 Cb 0.41 -2.13 0.53 0.00 -0.04 0.00 0.00 33.50 32.27 1i5n n PRO 32 CO 0.00 0.00 0.00 1.05 -0.04 0.00 0.00 175.50 176.51 1i5n h GLU 33 N 0.00 0.00 -1.60 0.54 9.09 -1.95 -3.34 114.58 117.32 1i5n h GLU 33 Ca 0.43 0.00 -0.44 0.00 0.05 0.00 0.00 59.36 59.40 1i5n h GLU 33 Cb 0.66 0.00 -0.35 0.00 -1.65 0.00 0.00 28.75 27.41 1i5n h GLU 33 CO -0.94 0.03 -1.04 -1.13 0.05 0.00 0.00 179.01 175.98 1i5n n SER 34 N -3.13 0.15 -4.68 3.06 3.41 0.08 -5.04 113.62 107.47 1i5n n SER 34 Ca 0.01 -3.13 -0.42 0.00 -0.26 0.00 0.00 58.87 55.07 1i5n n SER 34 Cb 0.38 -0.11 -0.03 0.00 -0.26 0.00 0.00 64.21 64.19 1i5n n SER 34 CO 0.00 0.00 0.00 -0.81 -0.16 0.00 0.00 175.04 174.07 1i5n n PRO 35 N 0.37 2.84 -1.66 4.33 -0.04 0.41 -4.59 135.00 136.66 1i5n n PRO 35 Ca 0.21 1.04 -0.43 0.00 -0.04 0.00 0.00 63.50 64.28 1i5n n PRO 35 Cb 0.66 -2.95 -0.03 0.00 -0.04 0.00 0.00 33.50 31.14 1i5n n PRO 35 CO 0.00 0.00 0.00 -3.47 -0.04 0.00 0.00 175.50 171.99 1i5n n ASP 36 N 6.15 4.09 -0.30 3.54 2.03 -1.26 -4.85 116.55 125.94 1i5n n ASP 36 Ca 0.18 0.89 0.10 0.00 0.52 0.00 0.00 54.79 56.49 1i5n n ASP 36 Cb 0.38 -1.51 0.27 0.00 -0.72 0.00 0.00 41.12 39.54 1i5n n ASP 36 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1i5n h ALA 37 N 10.58 1.38 0.00 -1.67 0.00 -1.98 0.17 119.26 127.73 1i5n h ALA 37 Ca -0.50 0.11 -0.05 0.00 0.00 0.00 0.00 54.91 54.48 1i5n h ALA 37 Cb 1.24 0.04 -0.01 0.00 0.00 0.00 0.00 17.79 19.07 1i5n h ALA 37 CO 0.94 -0.18 -0.24 1.49 0.00 0.00 0.00 179.25 181.26 1i5n h GLU 38 N 0.55 0.00 0.15 0.00 4.81 -1.99 -1.27 114.58 116.83 1i5n h GLU 38 Ca 0.51 0.00 -0.27 0.00 -0.13 0.00 0.00 59.36 59.47 1i5n h GLU 38 Cb 0.83 0.00 0.03 0.00 0.63 0.00 0.00 28.75 30.24 1i5n h GLU 38 CO -0.43 0.24 -1.15 1.96 -0.73 0.00 0.00 179.01 178.90 1i5n h GLN 39 N 0.00 0.52 -0.58 1.92 4.20 -1.36 -2.94 115.11 116.88 1i5n h GLN 39 Ca -0.00 -0.76 -0.07 0.00 0.06 0.00 0.00 58.65 57.88 1i5n h GLN 39 Cb 0.56 0.26 -0.02 0.00 0.30 0.00 0.00 27.48 28.58 1i5n h GLN 39 CO 0.03 1.34 0.09 -0.07 -0.67 0.00 0.00 178.83 179.55 1i5n h LEU 40 N 0.08 0.93 -1.39 1.46 3.38 -1.26 -2.31 115.31 116.19 1i5n h LEU 40 Ca -0.19 -0.26 0.04 0.00 0.09 0.00 0.00 57.88 57.56 1i5n h LEU 40 Cb 1.86 -0.25 -0.04 0.00 0.09 0.00 0.00 40.66 42.33 1i5n h LEU 40 CO 0.22 0.96 0.45 0.78 0.09 0.00 0.00 178.44 180.93 1i5n h ASN 41 N 0.86 0.68 -0.25 -0.43 2.35 -1.29 -0.60 115.58 116.90 1i5n h ASN 41 Ca 0.17 -0.01 -0.14 0.00 -0.55 0.00 0.00 56.30 55.78 1i5n h ASN 41 Cb 0.43 -0.16 -0.01 0.00 0.05 0.00 0.00 38.32 38.63 1i5n h ASN 41 CO 0.01 0.47 -0.35 0.00 -1.65 0.00 0.00 177.43 175.91 1i5n h ALA 42 N 1.61 0.74 -0.33 -0.83 0.00 -1.26 -0.59 119.26 118.60 1i5n h ALA 42 Ca 0.27 -0.43 -0.05 0.00 0.00 0.00 0.00 54.91 54.71 1i5n h ALA 42 Cb 0.09 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.74 1i5n h ALA 42 CO -0.08 0.66 0.02 0.82 0.00 0.00 0.00 179.25 180.67 1i5n h ILE 43 N 0.65 1.25 -0.46 0.00 2.04 -0.86 -1.50 117.51 118.63 1i5n h ILE 43 Ca 0.06 -0.90 -0.00 0.00 1.00 0.00 0.00 64.86 65.02 1i5n h ILE 43 Cb 0.89 1.20 -0.02 0.00 -0.74 0.00 0.00 36.82 38.15 1i5n h ILE 43 CO 0.08 0.30 0.27 0.15 0.00 0.00 0.00 178.15 178.95 1i5n h PHE 44 N 0.38 0.61 -0.45 1.37 3.04 -1.03 -1.71 116.94 119.15 1i5n h PHE 44 Ca 0.10 -0.00 -0.07 0.00 3.98 0.00 0.00 57.97 61.97 1i5n h PHE 44 Cb 0.41 -0.20 -0.02 0.00 2.56 0.00 0.00 35.95 38.70 1i5n h PHE 44 CO 0.03 0.43 -0.01 0.00 -2.02 0.00 0.00 178.31 176.75 1i5n h ARG 45 N 0.61 0.75 -0.18 1.11 3.08 -0.97 0.11 114.38 118.88 1i5n h ARG 45 Ca 0.16 -0.20 -0.01 0.00 0.07 0.00 0.00 59.98 60.00 1i5n h ARG 45 Cb 0.01 -0.09 -0.01 0.00 0.08 0.00 0.00 29.97 29.96 1i5n h ARG 45 CO -0.03 0.77 0.07 0.00 -1.07 0.00 0.00 179.97 179.70 1i5n h ALA 46 N 1.29 0.24 -0.46 0.04 0.00 -1.05 -0.35 119.26 118.96 1i5n h ALA 46 Ca 0.14 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.93 1i5n h ALA 46 Cb 0.44 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.14 1i5n h ALA 46 CO 0.02 -0.16 0.30 0.00 0.00 0.00 0.00 179.25 179.41 1i5n h ALA 47 N 0.90 0.59 -0.77 0.00 0.00 -0.99 -0.51 119.26 118.47 1i5n h ALA 47 Ca 0.06 -0.05 0.01 0.00 0.00 0.00 0.00 54.91 54.93 1i5n h ALA 47 Cb 0.20 -0.19 -0.04 0.00 0.00 0.00 0.00 17.79 17.76 1i5n h ALA 47 CO -0.00 0.06 0.51 1.25 0.00 0.00 0.00 179.25 181.06 1i5n h HIS 48 N 0.62 0.96 -0.26 0.00 6.17 -0.62 -0.80 115.15 121.24 1i5n h HIS 48 Ca 0.17 0.02 -0.02 0.00 0.71 0.00 0.00 60.37 61.25 1i5n h HIS 48 Cb -0.04 -0.33 -0.01 0.00 2.52 0.00 0.00 27.41 29.55 1i5n h HIS 48 CO -0.04 0.60 0.08 0.77 0.71 0.00 0.00 177.93 180.05 1i5n h SER 49 N 1.04 0.38 -0.85 3.26 0.02 -0.63 -2.15 113.55 114.62 1i5n h SER 49 Ca 0.29 -0.21 -0.03 0.00 -0.84 0.00 0.00 61.79 61.00 1i5n h SER 49 Cb -0.11 -0.10 -0.04 0.00 0.14 0.00 0.00 62.40 62.29 1i5n h SER 49 CO -0.07 0.49 0.41 0.40 -1.14 0.00 0.00 176.83 176.92 1i5n h ILE 50 N 0.26 1.26 -0.42 3.27 2.04 -0.86 -2.38 117.51 120.67 1i5n h ILE 50 Ca 0.08 -0.72 -0.00 0.00 1.00 0.00 0.00 64.86 65.23 1i5n h ILE 50 Cb 0.24 0.17 -0.02 0.00 -0.74 0.00 0.00 36.82 36.47 1i5n h ILE 50 CO -0.00 0.31 0.26 0.50 0.00 0.00 0.00 178.15 179.22 1i5n h LYS 51 N 1.20 0.57 -0.69 2.37 3.64 -0.96 -0.37 116.57 122.34 1i5n h LYS 51 Ca 0.29 -0.05 -0.04 0.00 -1.27 0.00 0.00 60.65 59.58 1i5n h LYS 51 Cb 0.11 -0.12 -0.03 0.00 -0.41 0.00 0.00 32.23 31.78 1i5n h LYS 51 CO -0.04 0.41 0.27 0.78 -2.27 0.00 0.00 179.45 178.60 1i5n h GLY 52 N 0.57 1.11 1.02 5.01 0.00 -1.20 0.18 103.07 109.75 1i5n h GLY 52 Ca 0.15 -0.61 -0.05 0.00 0.00 0.00 0.00 47.33 46.83 1i5n h GLY 52 CO -0.03 0.57 0.21 -1.33 0.00 0.00 0.00 176.54 175.96 1i5n h GLY 53 N 0.98 1.07 1.02 4.60 0.00 -1.17 -0.31 103.07 109.25 1i5n h GLY 53 Ca 0.23 -0.63 -0.02 0.00 0.00 0.00 0.00 47.33 46.92 1i5n h GLY 53 CO -0.02 0.59 0.44 0.00 0.00 0.00 0.00 176.54 177.55 1i5n h ALA 54 N 1.08 1.03 0.05 3.60 0.00 -0.62 -2.08 119.26 122.32 1i5n h ALA 54 Ca 0.21 -0.12 -0.00 0.00 0.00 0.00 0.00 54.91 54.99 1i5n h ALA 54 Cb 0.28 -0.32 0.00 0.00 0.00 0.00 0.00 17.79 17.75 1i5n h ALA 54 CO -0.01 0.54 -0.03 0.78 0.00 0.00 0.00 179.25 180.54 1i5n h GLY 55 N 1.11 -0.08 0.04 0.00 0.00 -0.65 -0.31 103.07 103.19 1i5n h GLY 55 Ca 0.28 0.03 0.18 0.00 0.00 0.00 0.00 47.33 47.82 1i5n h GLY 55 CO -0.05 -0.03 0.41 -0.84 0.00 0.00 0.00 176.54 176.04 1i5n h THR 56 N -0.33 0.61 -0.47 4.70 2.02 -0.79 -2.02 112.91 116.64 1i5n h THR 56 Ca -0.01 -0.18 0.00 0.00 0.77 0.00 0.00 66.41 67.00 1i5n h THR 56 Cb 0.29 0.05 0.00 0.00 -1.74 0.00 0.00 68.15 66.75 1i5n h THR 56 CO 0.01 0.09 0.00 0.49 0.37 0.00 0.00 175.52 176.49 1i5n n PHE 57 N -4.95 0.62 -2.68 3.16 3.01 -0.80 -4.96 117.46 110.85 1i5n n PHE 57 Ca 0.19 -0.31 -0.14 0.00 1.01 0.00 0.00 57.45 58.20 1i5n n PHE 57 Cb 0.53 0.00 0.02 0.00 -0.01 0.00 0.00 39.48 40.02 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 1.41 -0.10 3.05 1.37 0.00 -0.74 -4.92 105.19 105.26 1i5n n GLY 58 Ca 0.19 -0.22 -0.43 0.00 0.00 0.00 0.00 46.02 45.56 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 -4.05 3.45 -0.33 1.61 0.99 -0.20 -4.88 117.46 114.05 1i5n n PHE 59 Ca -0.08 -2.95 -0.12 0.00 -0.00 0.00 0.00 57.45 54.29 1i5n n PHE 59 Cb 0.58 -1.90 -0.10 0.00 -1.00 0.00 0.00 39.48 37.07 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 3.90 0.00 -0.77 4.37 2.02 -1.91 -0.34 112.91 120.18 1i5n h THR 60 Ca 0.34 0.00 0.08 0.00 0.77 0.00 0.00 66.41 67.59 1i5n h THR 60 Cb 0.70 0.00 -0.06 0.00 -1.74 0.00 0.00 68.15 67.04 1i5n h THR 60 CO 1.46 0.00 0.44 0.40 0.37 0.00 0.00 175.52 178.19 1i5n h ILE 61 N -0.13 0.95 -0.32 3.11 2.04 -1.98 -1.36 117.51 119.82 1i5n h ILE 61 Ca 0.13 -0.27 -0.13 0.00 1.00 0.00 0.00 64.86 65.60 1i5n h ILE 61 Cb 0.47 0.11 -0.01 0.00 -0.74 0.00 0.00 36.82 36.65 1i5n h ILE 61 CO -0.83 0.14 -0.29 0.25 0.00 0.00 0.00 178.15 177.43 1i5n h LEU 62 N 0.78 0.81 -0.28 1.44 5.85 -1.80 -2.29 115.31 119.83 1i5n h LEU 62 Ca 0.36 -0.46 0.04 0.00 0.84 0.00 0.00 57.88 58.65 1i5n h LEU 62 Cb 0.26 -0.23 -0.04 0.00 0.37 0.00 0.00 40.66 41.03 1i5n h LEU 62 CO -0.21 1.10 0.05 -0.61 -0.34 0.00 0.00 178.44 178.43 1i5n h GLN 63 N 0.53 0.15 -0.47 1.25 -0.00 -0.59 0.27 115.11 116.24 1i5n h GLN 63 Ca 0.06 -0.01 -0.10 0.00 -0.00 0.00 0.00 58.65 58.60 1i5n h GLN 63 Cb 0.86 -0.03 -0.02 0.00 0.00 0.00 0.00 27.48 28.29 1i5n h GLN 63 CO 0.07 0.10 -0.08 1.49 0.00 0.00 0.00 178.83 180.41 1i5n h GLU 64 N 0.15 0.89 -0.05 1.69 4.57 -1.27 0.14 114.58 120.69 1i5n h GLU 64 Ca 0.13 -0.32 -0.00 0.00 -1.18 0.00 0.00 59.36 57.99 1i5n h GLU 64 Cb 0.14 -0.06 -0.00 0.00 -0.16 0.00 0.00 28.75 28.66 1i5n h GLU 64 CO -0.17 0.97 0.03 1.15 -1.18 0.00 0.00 179.01 179.81 1i5n h THR 65 N 0.74 1.05 -0.26 0.32 2.02 -1.08 -2.00 112.91 113.69 1i5n h THR 65 Ca 0.12 -0.13 -0.09 0.00 0.77 0.00 0.00 66.41 67.09 1i5n h THR 65 Cb 0.61 1.04 -0.01 0.00 -1.74 0.00 0.00 68.15 68.05 1i5n h THR 65 CO 0.04 0.04 -0.21 0.74 0.37 0.00 0.00 175.52 176.50 1i5n h THR 66 N 0.03 1.25 -0.02 3.16 2.02 -0.87 -3.03 112.91 115.45 1i5n h THR 66 Ca 0.02 -1.18 0.02 0.00 0.77 0.00 0.00 66.41 66.04 1i5n h THR 66 Cb 0.04 1.28 -0.02 0.00 -1.74 0.00 0.00 68.15 67.71 1i5n h THR 66 CO -0.00 0.38 -0.10 -0.74 0.37 0.00 0.00 175.52 175.43 1i5n h HIS 67 N 0.43 -0.24 0.00 3.16 6.17 -0.37 0.83 115.15 125.13 1i5n h HIS 67 Ca 0.07 0.01 0.00 0.00 0.71 0.00 0.00 60.37 61.16 1i5n h HIS 67 Cb 0.61 0.11 0.00 0.00 2.52 0.00 0.00 27.41 30.65 1i5n h HIS 67 CO 0.02 -0.15 0.00 1.28 0.71 0.00 0.00 177.93 179.79 1i5n n LEU 68 N -5.22 0.58 0.00 0.26 4.77 -0.78 -2.11 117.00 114.49 1i5n n LEU 68 Ca -0.05 -0.29 0.00 0.00 -0.03 0.00 0.00 56.01 55.64 1i5n n LEU 68 Cb 0.15 -0.11 0.00 0.00 -2.33 0.00 0.00 43.42 41.13 1i5n n LEU 68 CO 0.28 0.10 0.00 1.21 -1.33 0.00 0.00 177.39 177.65 1i5n n GLU 70 N 0.79 0.00 -0.22 3.23 2.13 0.28 -2.80 120.64 124.05 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 0.10 0.00 0.21 0.00 0.27 0.00 0.00 31.44 32.02 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 0.90 -0.35 4.31 -0.26 -1.68 0.83 115.58 119.33 1i5n h ASN 71 Ca 0.00 -0.06 -0.13 0.00 -0.56 0.00 0.00 56.30 55.55 1i5n h ASN 71 Cb 0.00 -0.23 -0.01 0.00 -1.06 0.00 0.00 38.32 37.03 1i5n h ASN 71 CO 0.00 0.70 -0.29 -0.07 -1.06 0.00 0.00 177.43 176.71 1i5n h LEU 72 N 1.03 0.85 -1.30 1.61 3.38 -1.80 -2.11 115.31 116.98 1i5n h LEU 72 Ca 0.27 -0.45 -0.07 0.00 0.09 0.00 0.00 57.88 57.71 1i5n h LEU 72 Cb -0.02 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 40.48 1i5n h LEU 72 CO -0.05 1.13 -0.34 -0.07 0.09 0.00 0.00 178.44 179.20 1i5n h LEU 73 N 0.59 0.00 -0.40 1.67 3.38 -1.73 -1.62 115.31 117.20 1i5n h LEU 73 Ca 0.06 0.00 -0.13 0.00 0.09 0.00 0.00 57.88 57.90 1i5n h LEU 73 Cb 0.87 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.61 1i5n h LEU 73 CO 0.07 0.34 -0.25 -0.78 0.09 0.00 0.00 178.44 177.92 1i5n h ASP 74 N 0.00 0.91 -0.16 -0.43 3.58 -0.62 -0.49 116.42 119.21 1i5n h ASP 74 Ca -0.00 -0.42 -0.00 0.00 0.42 0.00 0.00 57.03 57.02 1i5n h ASP 74 Cb 0.65 -0.25 -0.01 0.00 1.72 0.00 0.00 39.33 41.44 1i5n h ASP 74 CO 0.04 1.14 0.08 -0.33 -2.88 0.00 0.00 179.24 177.29 1i5n h GLU 75 N 0.69 0.23 -0.47 0.28 5.08 -0.79 -1.03 114.58 118.56 1i5n h GLU 75 Ca 0.08 -0.03 -0.06 0.00 -1.00 0.00 0.00 59.36 58.35 1i5n h GLU 75 Cb 0.82 -0.04 -0.02 0.00 0.50 0.00 0.00 28.75 30.00 1i5n h GLU 75 CO 0.07 0.25 0.04 0.00 -1.00 0.00 0.00 179.01 178.37 1i5n h ALA 76 N 0.97 1.18 0.00 3.43 0.00 -1.23 0.91 119.26 124.53 1i5n h ALA 76 Ca 0.06 -0.23 -0.19 0.00 0.00 0.00 0.00 54.91 54.54 1i5n h ALA 76 Cb 0.09 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.67 1i5n h ALA 76 CO -0.01 0.54 -0.86 0.07 0.00 0.00 0.00 179.25 178.99 1i5n h ARG 77 N 0.72 0.15 0.00 0.00 0.11 -0.91 -2.60 114.38 111.85 1i5n h ARG 77 Ca 0.15 -0.17 0.00 0.00 0.10 0.00 0.00 59.98 60.06 1i5n h ARG 77 Cb 0.38 0.05 0.00 0.00 1.11 0.00 0.00 29.97 31.51 1i5n h ARG 77 CO 0.01 0.92 0.00 0.54 0.10 0.00 0.00 179.97 181.55 1i5n n ARG 78 N -3.64 0.30 -0.93 0.08 5.12 -0.41 -4.87 116.66 112.32 1i5n n ARG 78 Ca -0.03 0.06 0.00 0.00 -1.93 0.00 0.00 57.85 55.95 1i5n n ARG 78 Cb 0.80 -1.50 0.00 0.00 -1.16 0.00 0.00 32.46 30.60 1i5n n ARG 78 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1i5n n GLY 79 N 0.77 0.58 0.80 -0.13 0.00 -0.89 -5.07 105.19 101.24 1i5n n GLY 79 Ca 0.11 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.13 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 -2.84 0.95 -4.11 1.61 1.02 0.26 -4.99 120.64 112.55 1i5n n GLU 80 Ca 0.00 0.00 -0.15 0.00 -0.02 0.00 0.00 57.16 56.99 1i5n n GLU 80 Cb 0.00 -1.21 -0.14 0.00 -0.02 0.00 0.00 31.44 30.08 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 -0.38 0.41 0.36 3.49 0.74 -1.26 -4.95 119.66 118.08 1i5n s GLN 82 Ca 0.00 -0.30 0.07 0.00 0.05 0.00 0.00 55.36 55.18 1i5n s GLN 82 Cb 0.00 -0.34 -0.01 0.00 1.10 0.00 0.00 33.01 33.75 1i5n s GLN 82 CO 0.00 0.09 0.41 -0.51 -0.55 0.00 0.00 175.29 174.73 1i5n s LEU 83 N -0.44 3.70 0.00 3.68 1.43 -1.26 -5.05 118.68 120.74 1i5n s LEU 83 Ca -0.01 -0.42 -0.15 0.00 -1.03 0.00 0.00 54.13 52.52 1i5n s LEU 83 Cb -0.04 -2.44 0.06 0.00 0.03 0.00 0.00 46.19 43.80 1i5n s LEU 83 CO -0.00 -0.50 0.78 -0.46 0.23 0.00 0.00 176.35 176.40 1i5n n ASN 84 N -1.57 -1.86 0.08 2.29 0.23 -1.26 -4.56 115.26 108.60 1i5n n ASN 84 Ca 0.01 -2.19 -0.01 0.00 -0.53 0.00 0.00 54.58 51.87 1i5n n ASN 84 Cb 0.59 3.07 0.27 0.00 -2.08 0.00 0.00 39.78 41.63 1i5n n ASN 84 CO 0.00 0.00 0.00 0.71 -0.93 0.00 0.00 177.26 177.04 1i5n h THR 85 N 1.87 1.26 -0.34 5.53 1.35 -1.99 -2.46 112.91 118.13 1i5n h THR 85 Ca -0.28 -1.22 -0.03 0.00 -0.55 0.00 0.00 66.41 64.34 1i5n h THR 85 Cb 1.08 1.43 -0.01 0.00 -1.73 0.00 0.00 68.15 68.92 1i5n h THR 85 CO 0.36 0.37 0.11 0.44 -0.25 0.00 0.00 175.52 176.55 1i5n h ASP 86 N 0.28 0.50 -0.33 5.36 3.32 -1.99 -1.12 116.42 122.44 1i5n h ASP 86 Ca 0.04 -0.21 -0.02 0.00 0.02 0.00 0.00 57.03 56.87 1i5n h ASP 86 Cb 0.63 -0.13 -0.01 0.00 0.22 0.00 0.00 39.33 40.04 1i5n h ASP 86 CO 0.05 0.57 0.13 0.40 -1.72 0.00 0.00 179.24 178.67 1i5n h ILE 87 N 0.40 1.19 -0.74 0.35 2.04 -1.94 -0.97 117.51 117.84 1i5n h ILE 87 Ca 0.11 -0.58 -0.01 0.00 1.00 0.00 0.00 64.86 65.38 1i5n h ILE 87 Cb 0.25 0.94 -0.04 0.00 -0.74 0.00 0.00 36.82 37.24 1i5n h ILE 87 CO -0.00 0.20 0.42 0.40 0.00 0.00 0.00 178.15 179.17 1i5n h ILE 88 N 0.39 1.22 -0.30 -0.67 2.04 -1.37 -0.20 117.51 118.62 1i5n h ILE 88 Ca 0.11 -0.52 -0.08 0.00 1.00 0.00 0.00 64.86 65.38 1i5n h ILE 88 Cb 0.19 0.20 -0.02 0.00 -0.74 0.00 0.00 36.82 36.45 1i5n h ILE 88 CO -0.01 0.24 -0.14 0.78 0.00 0.00 0.00 178.15 179.02 1i5n h ASN 89 N 1.03 0.50 -0.31 1.72 2.35 -0.83 -0.71 115.58 119.33 1i5n h ASN 89 Ca 0.26 -0.14 -0.12 0.00 -0.55 0.00 0.00 56.30 55.76 1i5n h ASN 89 Cb 0.00 -0.13 -0.01 0.00 0.05 0.00 0.00 38.32 38.22 1i5n h ASN 89 CO -0.05 0.67 -0.25 0.25 -1.65 0.00 0.00 177.43 176.41 1i5n h LEU 90 N 0.47 0.83 -0.59 1.61 5.85 0.04 -1.08 115.31 122.44 1i5n h LEU 90 Ca 0.09 -0.31 -0.07 0.00 0.84 0.00 0.00 57.88 58.42 1i5n h LEU 90 Cb 0.52 -0.23 -0.02 0.00 0.37 0.00 0.00 40.66 41.30 1i5n h LEU 90 CO 0.03 1.04 0.08 -0.26 -0.34 0.00 0.00 178.44 178.99 1i5n h PHE 91 N 0.70 1.06 -0.73 1.25 0.05 -0.61 0.24 116.94 118.90 1i5n h PHE 91 Ca 0.09 -0.15 -0.04 0.00 3.82 0.00 0.00 57.97 61.69 1i5n h PHE 91 Cb 0.78 -0.29 -0.03 0.00 2.00 0.00 0.00 35.95 38.41 1i5n h PHE 91 CO 0.04 0.92 0.30 -0.07 -0.18 0.00 0.00 178.31 179.32 1i5n h LEU 92 N 0.89 1.00 -0.91 1.54 3.38 -0.91 0.65 115.31 120.95 1i5n h LEU 92 Ca 0.18 -0.17 -0.07 0.00 0.09 0.00 0.00 57.88 57.91 1i5n h LEU 92 Cb 0.44 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 40.91 1i5n h LEU 92 CO 0.01 0.89 0.06 -0.08 0.09 0.00 0.00 178.44 179.42 1i5n h GLU 93 N 1.04 0.86 -0.65 1.13 4.57 -0.92 -0.54 114.58 120.07 1i5n h GLU 93 Ca 0.24 -0.21 -0.08 0.00 -1.18 0.00 0.00 59.36 58.13 1i5n h GLU 93 Cb 0.20 -0.11 -0.03 0.00 -0.16 0.00 0.00 28.75 28.65 1i5n h GLU 93 CO -0.02 0.82 0.08 1.15 -1.18 0.00 0.00 179.01 179.86 1i5n h THR 94 N 0.82 1.26 -0.40 0.32 2.02 -0.07 -1.53 112.91 115.33 1i5n h THR 94 Ca 0.17 -1.07 -0.03 0.00 0.77 0.00 0.00 66.41 66.25 1i5n h THR 94 Cb 0.40 0.67 -0.02 0.00 -1.74 0.00 0.00 68.15 67.46 1i5n h THR 94 CO 0.01 0.40 0.12 0.50 0.37 0.00 0.00 175.52 176.92 1i5n h LYS 95 N 1.02 0.62 -0.47 6.66 3.11 -0.45 -2.92 116.57 124.14 1i5n h LYS 95 Ca 0.20 -0.13 0.05 0.00 -2.81 0.00 0.00 60.65 57.96 1i5n h LYS 95 Cb 0.47 -0.09 -0.05 0.00 -1.00 0.00 0.00 32.23 31.56 1i5n h LYS 95 CO 0.02 0.62 0.19 -0.44 -2.81 0.00 0.00 179.45 177.03 1i5n h ASP 96 N 0.50 0.23 0.00 4.20 3.45 -0.81 -1.87 116.42 122.12 1i5n h ASP 96 Ca 0.13 0.05 0.00 0.00 0.43 0.00 0.00 57.03 57.63 1i5n h ASP 96 Cb 0.26 0.01 0.00 0.00 -0.56 0.00 0.00 39.33 39.05 1i5n h ASP 96 CO -0.00 0.16 0.00 -0.38 -1.57 0.00 0.00 179.24 177.45 1i5n n ILE 97 N -4.97 0.40 0.00 0.35 5.41 -0.60 -2.39 119.36 117.55 1i5n n ILE 97 Ca 0.04 -0.01 0.00 0.00 1.00 0.00 0.00 62.75 63.78 1i5n n ILE 97 Cb 0.16 -0.72 0.00 0.00 -0.71 0.00 0.00 39.64 38.38 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 0.86 0.00 -0.21 0.38 -0.06 -0.70 -1.17 117.38 116.48 1i5n n GLN 99 Ca 0.00 0.00 -0.06 0.00 -2.00 0.00 0.00 57.00 54.94 1i5n n GLN 99 Cb 0.19 0.00 0.09 0.00 -4.06 0.00 0.00 30.24 26.46 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 1.04 -0.21 3.69 5.08 -1.75 0.42 114.58 122.85 1i5n h GLU 100 Ca 0.00 -0.26 -0.02 0.00 -1.00 0.00 0.00 59.36 58.08 1i5n h GLU 100 Cb 0.00 -0.13 -0.01 0.00 0.50 0.00 0.00 28.75 29.11 1i5n h GLU 100 CO 0.00 0.94 0.05 1.96 -1.00 0.00 0.00 179.01 180.96 1i5n h GLN 101 N 0.98 0.33 -0.35 2.33 4.20 -1.44 -1.94 115.11 119.21 1i5n h GLN 101 Ca 0.20 -0.08 0.03 0.00 0.06 0.00 0.00 58.65 58.85 1i5n h GLN 101 Cb 0.40 -0.04 -0.03 0.00 0.30 0.00 0.00 27.48 28.11 1i5n h GLN 101 CO 0.01 0.46 0.18 1.25 -0.67 0.00 0.00 178.83 180.05 1i5n h LEU 102 N 0.15 0.26 -2.17 1.46 5.85 -1.77 -1.86 115.31 117.24 1i5n h LEU 102 Ca 0.06 0.02 0.00 0.00 0.84 0.00 0.00 57.88 58.80 1i5n h LEU 102 Cb 0.28 -0.03 -0.00 0.00 0.37 0.00 0.00 40.66 41.27 1i5n h LEU 102 CO 0.00 0.19 0.01 0.44 -0.34 0.00 0.00 178.44 178.74 1i5n h ASP 103 N 0.36 0.00 -0.03 1.25 3.32 -0.67 -0.67 116.42 119.99 1i5n h ASP 103 Ca 0.15 0.00 -0.02 0.00 0.02 0.00 0.00 57.03 57.18 1i5n h ASP 103 Cb 0.06 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.61 1i5n h ASP 103 CO -0.10 0.00 -0.07 0.00 -1.72 0.00 0.00 179.24 177.35 1i5n h ALA 104 N 1.99 0.04 -0.97 3.45 0.00 -0.57 -3.15 119.26 120.05 1i5n h ALA 104 Ca 0.00 -0.33 0.07 0.00 0.00 0.00 0.00 54.91 54.65 1i5n h ALA 104 Cb 0.02 -0.01 -0.06 0.00 0.00 0.00 0.00 17.79 17.74 1i5n h ALA 104 CO -0.00 -0.10 0.63 1.88 0.00 0.00 0.00 179.25 181.65 1i5n h TYR 105 N -0.47 1.14 -0.56 0.00 0.99 -0.71 0.44 116.97 117.80 1i5n h TYR 105 Ca -0.00 0.03 0.12 0.00 2.00 0.00 0.00 58.73 60.88 1i5n h TYR 105 Cb 0.68 -0.38 -0.03 0.00 1.00 0.00 0.00 36.73 38.00 1i5n h TYR 105 CO 0.13 0.59 0.38 0.87 -0.00 0.00 0.00 178.16 180.14 1i5n h LYS 106 N 1.12 0.20 -0.63 4.88 1.57 -1.14 0.81 116.57 123.37 1i5n h LYS 106 Ca 0.42 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 59.19 1i5n h LYS 106 Cb 0.19 -0.05 0.00 0.00 0.08 0.00 0.00 32.23 32.46 1i5n h LYS 106 CO -0.17 0.13 0.00 0.09 -0.57 0.00 0.00 179.45 178.94 1i5n n ASN 107 N -4.44 3.73 -3.11 0.86 3.02 -0.12 -4.91 115.26 110.29 1i5n n ASN 107 Ca 0.10 -2.20 -0.23 0.00 -0.03 0.00 0.00 54.58 52.22 1i5n n ASN 107 Cb 0.48 -0.48 0.03 0.00 -0.61 0.00 0.00 39.78 39.21 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 1.11 -5.69 -4.71 6.41 7.64 0.28 -4.98 113.62 113.67 1i5n n SER 108 Ca 0.21 -0.32 -0.24 0.00 1.01 0.00 0.00 58.87 59.53 1i5n n SER 108 Cb 0.66 -4.60 -0.07 0.00 -1.01 0.00 0.00 64.21 59.18 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 -5.79 2.25 -0.01 1.43 0.41 -0.04 -5.00 118.70 111.94 1i5n s GLU 109 Ca 0.34 -1.70 -0.15 0.00 -0.41 0.00 0.00 54.97 53.05 1i5n s GLU 109 Cb -0.16 -2.05 -0.06 0.00 -1.78 0.00 0.00 34.13 30.09 1i5n s GLU 109 CO 0.42 0.04 0.42 -1.21 -0.49 0.00 0.00 175.26 174.43 1i5n s GLU 110 N -3.84 3.98 1.13 1.61 0.41 -1.26 -3.54 118.70 117.19 1i5n s GLU 110 Ca 0.38 0.42 -0.13 0.00 -0.41 0.00 0.00 54.97 55.23 1i5n s GLU 110 Cb 0.00 -3.25 0.26 0.00 -1.78 0.00 0.00 34.13 29.37 1i5n s GLU 110 CO 0.22 0.63 1.04 -2.14 -0.49 0.00 0.00 175.26 174.52 1i5n s PRO 111 N -0.88 -0.64 -0.17 0.39 0.02 -1.26 -4.93 135.00 127.53 1i5n s PRO 111 Ca 0.24 0.69 -0.29 0.00 0.02 0.00 0.00 61.00 61.66 1i5n s PRO 111 Cb -0.17 -1.60 -0.02 0.00 0.02 0.00 0.00 34.50 32.73 1i5n s PRO 111 CO 0.13 -3.50 1.44 0.34 -0.33 0.00 0.00 177.00 175.09 1i5n s ASP 112 N -2.81 6.72 0.18 2.53 -1.08 -1.26 -4.94 116.67 116.00 1i5n s ASP 112 Ca 0.68 1.75 -0.09 0.00 -0.52 0.00 0.00 52.55 54.36 1i5n s ASP 112 Cb -0.23 -2.54 0.06 0.00 -1.46 0.00 0.00 42.92 38.75 1i5n s ASP 112 CO 0.63 -0.95 1.63 0.00 0.52 0.00 0.00 175.17 176.99 1i5n h ALA 113 N 9.23 0.80 -0.42 3.66 0.00 -2.00 -2.50 119.26 128.04 1i5n h ALA 113 Ca -0.31 -0.32 -0.07 0.00 0.00 0.00 0.00 54.91 54.21 1i5n h ALA 113 Cb 1.13 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.69 1i5n h ALA 113 CO 0.98 0.66 -0.02 0.00 0.00 0.00 0.00 179.25 180.88 1i5n h ALA 114 N 0.98 0.57 -0.47 0.00 0.00 -2.00 -1.76 119.26 116.59 1i5n h ALA 114 Ca 0.17 -0.27 -0.06 0.00 0.00 0.00 0.00 54.91 54.74 1i5n h ALA 114 Cb 0.58 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.20 1i5n h ALA 114 CO 0.03 0.37 0.02 0.77 0.00 0.00 0.00 179.25 180.45 1i5n h SER 115 N 0.59 0.72 -0.08 0.00 0.02 -1.97 -1.09 113.55 111.73 1i5n h SER 115 Ca 0.12 -0.16 -0.00 0.00 -0.84 0.00 0.00 61.79 60.91 1i5n h SER 115 Cb 0.51 -0.19 -0.00 0.00 0.14 0.00 0.00 62.40 62.86 1i5n h SER 115 CO 0.02 0.77 0.05 0.15 -1.14 0.00 0.00 176.83 176.68 1i5n h PHE 116 N 0.71 0.11 -0.67 3.45 3.57 -1.21 -1.28 116.94 121.62 1i5n h PHE 116 Ca 0.14 -0.00 -0.06 0.00 3.53 0.00 0.00 57.97 61.58 1i5n h PHE 116 Cb 0.40 -0.03 -0.03 0.00 2.79 0.00 0.00 35.95 39.08 1i5n h PHE 116 CO 0.02 0.11 0.19 0.93 -2.23 0.00 0.00 178.31 177.32 1i5n h GLU 117 N 0.07 1.06 -0.10 1.11 5.08 -1.05 -1.87 114.58 118.88 1i5n h GLU 117 Ca 0.03 -0.24 -0.01 0.00 -1.00 0.00 0.00 59.36 58.14 1i5n h GLU 117 Cb 0.03 -0.15 -0.00 0.00 0.50 0.00 0.00 28.75 29.13 1i5n h GLU 117 CO -0.01 0.93 0.03 -0.92 -1.00 0.00 0.00 179.01 178.05 1i5n h TYR 118 N 0.99 0.16 -0.58 4.33 5.03 -1.07 -1.24 116.97 124.59 1i5n h TYR 118 Ca 0.21 -0.02 -0.10 0.00 2.58 0.00 0.00 58.73 61.41 1i5n h TYR 118 Cb 0.33 -0.05 -0.02 0.00 1.55 0.00 0.00 36.73 38.55 1i5n h TYR 118 CO 0.03 0.31 -0.02 0.97 -1.32 0.00 0.00 178.16 178.12 1i5n h ILE 119 N -0.03 1.27 -0.66 1.81 6.09 -1.15 -1.36 117.51 123.48 1i5n h ILE 119 Ca 0.03 -1.17 -0.07 0.00 -1.37 0.00 0.00 64.86 62.29 1i5n h ILE 119 Cb 0.22 0.87 -0.03 0.00 0.47 0.00 0.00 36.82 38.35 1i5n h ILE 119 CO -0.00 0.42 0.15 0.00 -3.07 0.00 0.00 178.15 175.65 1i5n h ASN 121 N 0.98 0.65 -0.54 0.00 -0.73 -0.99 -0.47 115.58 114.47 1i5n h ASN 121 Ca 0.20 -0.09 -0.11 0.00 1.87 0.00 0.00 56.30 58.17 1i5n h ASN 121 Cb 0.38 -0.16 -0.02 0.00 0.27 0.00 0.00 38.32 38.78 1i5n h ASN 121 CO 0.00 0.55 -0.08 0.00 -0.37 0.00 0.00 177.43 177.54 1i5n h ALA 122 N 1.12 0.80 -0.33 1.57 0.00 -0.93 -0.88 119.26 120.61 1i5n h ALA 122 Ca 0.18 -0.34 -0.10 0.00 0.00 0.00 0.00 54.91 54.65 1i5n h ALA 122 Cb 0.05 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.63 1i5n h ALA 122 CO -0.03 0.67 -0.23 -0.07 0.00 0.00 0.00 179.25 179.59 1i5n h LEU 123 N 0.92 0.64 -0.36 0.00 3.38 -0.81 -1.55 115.31 117.53 1i5n h LEU 123 Ca 0.15 -0.22 -0.10 0.00 0.09 0.00 0.00 57.88 57.80 1i5n h LEU 123 Cb 0.64 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 41.20 1i5n h LEU 123 CO 0.04 0.86 -0.47 0.03 0.09 0.00 0.00 178.44 178.99 1i5n h ARG 124 N 0.56 0.00 -0.25 1.13 3.08 -0.90 -2.41 114.38 115.59 1i5n h ARG 124 Ca 0.08 0.00 -0.09 0.00 0.07 0.00 0.00 59.98 60.04 1i5n h ARG 124 Cb 0.69 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.74 1i5n h ARG 124 CO 0.05 0.47 -0.21 1.96 -1.07 0.00 0.00 179.97 181.17 1i5n h GLN 125 N 0.00 0.58 -0.57 0.04 1.08 -0.75 -2.16 115.11 113.32 1i5n h GLN 125 Ca -0.00 -0.29 -0.00 0.00 -1.45 0.00 0.00 58.65 56.90 1i5n h GLN 125 Cb 1.21 0.00 -0.03 0.00 -0.05 0.00 0.00 27.48 28.62 1i5n h GLN 125 CO 0.06 0.88 0.35 1.25 -0.95 0.00 0.00 178.83 180.42 1i5n h LEU 126 N 0.29 0.68 -0.89 1.46 5.85 -1.21 0.13 115.31 121.63 1i5n h LEU 126 Ca 0.04 -0.05 -0.00 0.00 0.84 0.00 0.00 57.88 58.71 1i5n h LEU 126 Cb 0.76 -0.17 -0.04 0.00 0.37 0.00 0.00 40.66 41.57 1i5n h LEU 126 CO 0.05 0.53 0.54 0.00 -0.34 0.00 0.00 178.44 179.22 1i5n h ALA 127 N 1.18 1.13 -0.06 1.25 0.00 -1.38 0.28 119.26 121.65 1i5n h ALA 127 Ca 0.21 -0.10 -0.00 0.00 0.00 0.00 0.00 54.91 55.02 1i5n h ALA 127 Cb -0.03 -0.36 -0.00 0.00 0.00 0.00 0.00 17.79 17.40 1i5n h ALA 127 CO -0.04 0.59 0.03 1.25 0.00 0.00 0.00 179.25 181.08 1i5n h LEU 128 N 1.22 0.07 -1.73 0.00 5.85 -0.84 -1.92 115.31 117.95 1i5n h LEU 128 Ca 0.32 -0.06 -0.02 0.00 0.84 0.00 0.00 57.88 58.95 1i5n h LEU 128 Cb -0.05 -0.02 -0.01 0.00 0.37 0.00 0.00 40.66 40.95 1i5n h LEU 128 CO -0.06 0.11 -0.06 -0.33 -0.34 0.00 0.00 178.44 177.76 1i5n h GLU 129 N 0.02 0.09 0.00 1.25 5.08 -0.26 -0.65 114.58 120.11 1i5n h GLU 129 Ca 0.02 -0.01 -0.06 0.00 -1.00 0.00 0.00 59.36 58.31 1i5n h GLU 129 Cb 0.06 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.28 1i5n h GLU 129 CO -0.00 0.16 -0.29 0.00 -1.00 0.00 0.00 179.01 177.88 1i5n h ALA 130 N 1.85 1.19 -0.01 3.43 0.00 0.25 -3.51 119.26 122.46 1i5n h ALA 130 Ca 0.02 -0.27 0.00 0.00 0.00 0.00 0.00 54.91 54.67 1i5n h ALA 130 Cb 0.17 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.91 1i5n h ALA 130 CO 0.01 0.36 0.00 0.36 0.00 0.00 0.00 179.25 179.98