#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wir s SER 2 N 0.00 2.92 0.05 1.61 0.15 -1.26 -5.13 113.70 112.04 1wir s SER 2 Ca 0.00 -0.92 0.01 0.00 0.70 0.00 0.00 55.95 55.75 1wir s SER 2 Cb 0.00 -0.41 -0.03 0.00 -1.71 0.00 0.00 66.02 63.88 1wir s SER 2 CO 0.00 -0.37 -0.06 -0.44 1.20 0.00 0.00 173.24 173.57 1wir s SER 3 N 2.02 0.76 0.00 5.45 0.01 -1.26 -5.15 113.70 115.53 1wir s SER 3 Ca 0.04 -0.66 0.00 0.00 1.31 0.00 0.00 55.95 56.64 1wir s SER 3 Cb -0.16 0.07 0.00 0.00 0.21 0.00 0.00 66.02 66.14 1wir s SER 3 CO -0.17 -0.30 0.00 0.61 0.41 0.00 0.00 173.24 173.79 1wir n GLY 4 N 1.12 -1.81 3.60 3.44 0.00 -1.26 -5.03 105.19 105.25 1wir n GLY 4 Ca -0.20 -1.12 -0.23 0.00 0.00 0.00 0.00 46.02 44.46 1wir n GLY 4 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1wir n SER 5 N 1.51 -5.41 -3.76 1.61 2.88 -1.26 -5.00 113.62 104.19 1wir n SER 5 Ca 0.00 -0.58 -0.13 0.00 -1.33 0.00 0.00 58.87 56.83 1wir n SER 5 Cb 0.00 -4.92 -0.14 0.00 -0.75 0.00 0.00 64.21 58.40 1wir n SER 5 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 1wir s SER 6 N -3.52 -0.14 0.00 -3.46 0.01 -1.26 -5.14 113.70 100.19 1wir s SER 6 Ca 0.48 0.33 0.00 0.00 1.31 0.00 0.00 55.95 58.07 1wir s SER 6 Cb -0.22 0.24 0.00 0.00 0.21 0.00 0.00 66.02 66.26 1wir s SER 6 CO 0.74 -0.13 0.00 0.61 0.41 0.00 0.00 173.24 174.87 1wir n GLY 7 N 3.92 4.49 2.54 3.44 0.00 -1.26 -5.07 105.19 113.25 1wir n GLY 7 Ca -0.23 -0.81 -0.23 0.00 0.00 0.00 0.00 46.02 44.75 1wir n GLY 7 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 1wir n GLU 8 N 0.00 2.87 0.00 1.61 0.28 -1.26 -4.84 120.64 119.30 1wir n GLU 8 Ca 0.00 -4.23 0.06 0.00 -0.16 0.00 0.00 57.16 52.83 1wir n GLU 8 Cb 0.00 -2.02 0.34 0.00 1.43 0.00 0.00 31.44 31.19 1wir n GLU 8 CO 0.00 0.00 0.00 -0.35 -0.16 0.00 0.00 177.13 176.62 1wir n PRO 9 N -0.36 0.49 -3.75 3.44 -0.04 -1.26 -4.64 135.00 128.87 1wir n PRO 9 Ca 0.32 0.00 -0.13 0.00 -0.04 0.00 0.00 63.50 63.65 1wir n PRO 9 Cb 0.68 -1.36 -0.11 0.00 -0.04 0.00 0.00 33.50 32.67 1wir n PRO 9 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1wir s ALA 10 N -2.00 -0.89 -1.00 0.55 0.00 -1.26 -5.09 121.76 112.08 1wir s ALA 10 Ca 0.17 1.04 -0.23 0.00 0.00 0.00 0.00 51.96 52.93 1wir s ALA 10 Cb 0.08 -0.61 -0.03 0.00 0.00 0.00 0.00 23.12 22.56 1wir s ALA 10 CO 0.13 -0.18 1.83 -1.58 0.00 0.00 0.00 175.76 175.97 1wir s HIS 11 N 0.29 2.04 -0.30 0.00 2.46 -1.26 -4.74 115.29 113.77 1wir s HIS 11 Ca -0.01 0.16 -0.15 0.00 0.47 0.00 0.00 55.06 55.54 1wir s HIS 11 Cb -0.03 -4.21 0.18 0.00 -0.13 0.00 0.00 32.58 28.39 1wir s HIS 11 CO -0.00 -1.69 1.14 0.20 -2.47 0.00 0.00 174.74 171.91 1wir s GLY 12 N 6.91 -0.92 0.01 1.59 0.00 -1.26 -5.17 107.32 108.48 1wir s GLY 12 Ca 0.64 2.26 -0.11 0.00 0.00 0.00 0.00 44.72 47.51 1wir s GLY 12 CO 0.00 4.21 0.23 1.09 0.00 0.00 0.00 173.10 178.63 1wir s ARG 13 N 2.91 0.64 -0.30 2.90 3.03 -1.26 -5.11 118.95 121.76 1wir s ARG 13 Ca 0.30 -0.41 -0.15 0.00 2.03 0.00 0.00 55.73 57.51 1wir s ARG 13 Cb 0.00 0.27 0.16 0.00 -1.03 0.00 0.00 34.95 34.35 1wir s ARG 13 CO -0.22 -0.18 0.95 1.14 -1.13 0.00 0.00 175.30 175.87 1wir s GLN 14 N -1.81 0.33 0.03 3.89 0.00 -1.26 -5.17 119.66 115.67 1wir s GLN 14 Ca -0.11 0.79 0.07 0.00 -0.00 0.00 0.00 55.36 56.11 1wir s GLN 14 Cb -0.04 0.42 -0.02 0.00 0.00 0.00 0.00 33.01 33.36 1wir s GLN 14 CO 0.00 -0.11 -0.20 -1.01 0.00 0.00 0.00 175.29 173.97 1wir s HIS 15 N 2.30 1.80 -0.15 9.60 3.76 -1.26 -4.67 115.29 126.66 1wir s HIS 15 Ca -0.04 -0.37 -0.00 0.00 -0.15 0.00 0.00 55.06 54.50 1wir s HIS 15 Cb -0.06 -1.10 -0.00 0.00 1.11 0.00 0.00 32.58 32.53 1wir s HIS 15 CO -0.17 0.06 -0.14 -0.08 -0.85 0.00 0.00 174.74 173.56 1wir s THR 16 N -0.72 2.80 0.93 1.30 -1.32 0.18 -4.82 115.64 113.99 1wir s THR 16 Ca 0.07 -0.73 -0.12 0.00 -1.21 0.00 0.00 61.69 59.71 1wir s THR 16 Cb -0.09 -2.19 0.15 0.00 -1.51 0.00 0.00 72.50 68.87 1wir s THR 16 CO 0.01 0.51 1.09 -2.16 -2.21 0.00 0.00 174.62 171.86 1wir s PRO 17 N 0.76 0.95 0.65 7.08 0.04 -1.26 -1.54 135.00 141.69 1wir s PRO 17 Ca -0.06 0.71 -0.10 0.00 0.04 0.00 0.00 61.00 61.59 1wir s PRO 17 Cb -0.15 -1.78 -0.00 0.00 0.04 0.00 0.00 34.50 32.60 1wir s PRO 17 CO 0.01 -2.43 1.03 0.00 0.04 0.00 0.00 177.00 175.66 1wir h LEU 19 N -0.44 0.36 0.09 0.00 -0.00 -1.92 -3.40 115.31 109.99 1wir h LEU 19 Ca -0.45 -0.85 -0.15 0.00 -0.00 0.00 0.00 57.88 56.43 1wir h LEU 19 Cb 1.23 -0.12 0.01 0.00 -0.00 0.00 0.00 40.66 41.79 1wir h LEU 19 CO 0.63 1.57 -0.70 -0.26 -0.00 0.00 0.00 178.44 179.68 1wir h PHE 20 N -0.37 0.33 -5.19 1.13 0.04 -1.90 -3.43 116.94 107.55 1wir h PHE 20 Ca -0.28 -0.24 -0.35 0.00 2.80 0.00 0.00 57.97 59.90 1wir h PHE 20 Cb 1.70 -0.01 -0.03 0.00 2.20 0.00 0.00 35.95 39.82 1wir h PHE 20 CO 0.14 1.27 -0.16 0.00 -0.60 0.00 0.00 178.31 178.96 1wir n ASP 22 N -1.96 6.29 -4.66 0.00 -0.08 -1.26 -3.66 116.55 111.23 1wir n ASP 22 Ca -0.00 -3.77 -0.38 0.00 -1.51 0.00 0.00 54.79 49.12 1wir n ASP 22 Cb 0.39 -0.71 -0.08 0.00 2.34 0.00 0.00 41.12 43.06 1wir n ASP 22 CO 0.00 0.00 0.00 -0.13 0.12 0.00 0.00 177.20 177.19 1wir s ARG 23 N -3.75 4.13 0.22 -0.67 0.52 -1.26 -4.80 118.95 113.34 1wir s ARG 23 Ca 0.55 0.11 -0.22 0.00 -0.52 0.00 0.00 55.73 55.66 1wir s ARG 23 Cb 0.45 -3.56 -0.08 0.00 0.52 0.00 0.00 34.95 32.28 1wir s ARG 23 CO -0.10 -0.06 0.76 -0.51 0.02 0.00 0.00 175.30 175.40 1wir s LEU 24 N 1.40 4.41 0.16 2.53 1.43 -1.26 -0.77 118.68 126.58 1wir s LEU 24 Ca 0.17 1.52 0.04 0.00 -1.03 0.00 0.00 54.13 54.83 1wir s LEU 24 Cb -0.15 -3.55 -0.05 0.00 0.03 0.00 0.00 46.19 42.48 1wir s LEU 24 CO 0.08 0.07 -0.08 -0.36 0.23 0.00 0.00 176.35 176.29 1wir s PHE 25 N -1.43 1.27 -0.12 0.29 0.40 -0.59 -4.93 117.98 112.87 1wir s PHE 25 Ca 0.42 -0.81 -0.27 0.00 -0.60 0.00 0.00 56.93 55.66 1wir s PHE 25 Cb -0.19 -0.67 -0.27 0.00 0.51 0.00 0.00 43.02 42.40 1wir s PHE 25 CO 0.22 0.03 0.80 0.00 0.70 0.00 0.00 175.22 176.97 1wir h ALA 26 N 2.75 -0.02 -2.83 5.36 0.00 -1.86 0.54 119.26 123.19 1wir h ALA 26 Ca -0.37 -0.55 -0.63 0.00 0.00 0.00 0.00 54.91 53.37 1wir h ALA 26 Cb 1.19 0.02 -0.16 0.00 0.00 0.00 0.00 17.79 18.85 1wir h ALA 26 CO 0.64 0.09 -0.78 -1.54 0.00 0.00 0.00 179.25 177.66 1wir s SER 27 N -6.40 3.71 0.41 0.00 1.04 -1.26 -4.54 113.70 106.66 1wir s SER 27 Ca -0.18 -0.84 0.11 0.00 0.48 0.00 0.00 55.95 55.52 1wir s SER 27 Cb -0.02 -0.40 0.88 0.00 0.10 0.00 0.00 66.02 66.58 1wir s SER 27 CO 0.72 0.09 1.97 0.00 0.98 0.00 0.00 173.24 177.00 1wir h ALA 28 N 2.81 1.61 -0.48 5.32 0.00 -1.91 -2.47 119.26 124.14 1wir h ALA 28 Ca -0.45 -0.16 -0.11 0.00 0.00 0.00 0.00 54.91 54.19 1wir h ALA 28 Cb 1.22 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.92 1wir h ALA 28 CO 0.53 0.29 -0.16 0.93 0.00 0.00 0.00 179.25 180.84 1wir h GLU 29 N 0.20 0.93 -0.85 0.00 5.08 -1.99 -2.63 114.58 115.31 1wir h GLU 29 Ca 0.04 -0.35 0.05 0.00 -1.00 0.00 0.00 59.36 58.10 1wir h GLU 29 Cb 0.28 -0.05 -0.05 0.00 0.50 0.00 0.00 28.75 29.43 1wir h GLU 29 CO 0.01 1.01 0.56 0.93 -1.00 0.00 0.00 179.01 180.52 1wir h GLU 30 N 0.82 0.98 0.27 2.33 4.39 -1.86 -2.41 114.58 119.09 1wir h GLU 30 Ca 0.12 -0.06 -0.01 0.00 0.34 0.00 0.00 59.36 59.75 1wir h GLU 30 Cb 0.70 -0.22 0.00 0.00 -0.10 0.00 0.00 28.75 29.13 1wir h GLU 30 CO 0.05 0.65 -0.13 1.15 -1.16 0.00 0.00 179.01 179.57 1wir h THR 31 N 1.01 0.00 -0.91 1.13 2.02 -1.47 -2.72 112.91 111.97 1wir h THR 31 Ca 0.35 -0.26 0.10 0.00 0.77 0.00 0.00 66.41 67.37 1wir h THR 31 Cb 0.12 0.00 -0.12 0.00 -1.74 0.00 0.00 68.15 66.40 1wir h THR 31 CO -0.12 0.00 -0.47 0.49 0.37 0.00 0.00 175.52 175.79 1wir n PHE 32 N -3.69 -0.25 -0.25 3.16 3.72 -1.01 0.86 117.46 120.01 1wir n PHE 32 Ca -0.04 1.13 0.04 0.00 -0.05 0.00 0.00 57.45 58.52 1wir n PHE 32 Cb 0.14 -0.67 0.17 0.00 -0.94 0.00 0.00 39.48 38.18 1wir n PHE 32 CO 0.00 0.00 0.00 1.03 -0.05 0.00 0.00 176.76 177.74 1wir h SER 33 N 0.00 0.36 -0.74 4.37 0.87 -1.55 -0.46 113.55 116.41 1wir h SER 33 Ca 0.21 0.09 0.05 0.00 -1.23 0.00 0.00 61.79 60.90 1wir h SER 33 Cb 0.43 0.04 -0.05 0.00 -0.44 0.00 0.00 62.40 62.38 1wir h SER 33 CO -0.87 0.17 0.45 -0.74 -0.53 0.00 0.00 176.83 175.31 1wir h HIS 34 N 0.51 0.83 -0.24 2.24 -0.00 0.81 -1.55 115.15 117.76 1wir h HIS 34 Ca 0.39 0.03 -0.09 0.00 -0.00 0.00 0.00 60.37 60.70 1wir h HIS 34 Cb 0.53 -0.27 -0.01 0.00 -0.00 0.00 0.00 27.41 27.66 1wir h HIS 34 CO -0.14 0.44 -0.24 0.00 -0.00 0.00 0.00 177.93 177.99 1wir h LYS 36 N 0.40 0.00 0.00 0.00 1.57 -0.21 1.79 116.57 120.13 1wir h LYS 36 Ca 0.06 0.00 -0.19 0.00 -1.87 0.00 0.00 60.65 58.65 1wir h LYS 36 Cb 0.64 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 32.92 1wir h LYS 36 CO 0.05 0.00 -1.36 1.28 -0.57 0.00 0.00 179.45 178.85 1wir n LEU 37 N -3.09 1.88 -0.03 2.94 4.77 -0.81 -3.68 117.00 118.98 1wir n LEU 37 Ca 0.00 0.44 -0.00 0.00 -0.03 0.00 0.00 56.01 56.42 1wir n LEU 37 Cb 0.28 -0.87 -0.00 0.00 -2.33 0.00 0.00 43.42 40.50 1wir n LEU 37 CO 0.27 0.07 -0.04 -0.33 -1.33 0.00 0.00 177.39 176.03 1wir h GLU 38 N -1.00 0.00 0.00 3.23 4.39 -1.06 -3.34 114.58 116.81 1wir h GLU 38 Ca -0.29 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.41 1wir h GLU 38 Cb 1.14 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.79 1wir h GLU 38 CO -0.18 0.00 0.00 0.72 -1.16 0.00 0.00 179.01 178.39 1wir n HIS 39 N -3.54 0.00 -4.10 4.33 8.25 0.22 -4.85 115.22 115.54 1wir n HIS 39 Ca -0.01 0.00 -0.34 0.00 -0.26 0.00 0.00 57.72 57.11 1wir n HIS 39 Cb 0.03 0.00 -0.06 0.00 1.12 0.00 0.00 29.99 31.07 1wir n HIS 39 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1wir n GLN 40 N -0.89 -1.12 -4.91 -0.41 10.64 0.59 -4.83 117.38 116.45 1wir n GLN 40 Ca 0.13 0.11 -0.28 0.00 -1.83 0.00 0.00 57.00 55.14 1wir n GLN 40 Cb 0.06 -4.55 -0.16 0.00 -0.86 0.00 0.00 30.24 24.73 1wir n GLN 40 CO 0.00 0.00 0.00 0.12 -1.83 0.00 0.00 177.06 175.35 1wir s PHE 41 N -2.96 1.94 0.12 2.61 2.19 0.11 -4.86 117.98 117.13 1wir s PHE 41 Ca 0.67 -0.68 0.04 0.00 0.33 0.00 0.00 56.93 57.29 1wir s PHE 41 Cb -0.39 -1.32 -0.04 0.00 -1.31 0.00 0.00 43.02 39.96 1wir s PHE 41 CO 0.82 -0.27 0.10 0.54 1.83 0.00 0.00 175.22 178.24 1wir s ASN 42 N 0.28 5.53 -0.24 6.13 2.20 -1.26 -2.18 114.94 125.40 1wir s ASN 42 Ca -0.11 -0.06 0.04 0.00 -0.94 0.00 0.00 52.86 51.78 1wir s ASN 42 Cb -0.15 -1.47 -0.19 0.00 -2.00 0.00 0.00 41.25 37.45 1wir s ASN 42 CO 0.05 0.13 -0.14 0.00 -2.94 0.00 0.00 177.10 174.19 1wir n ILE 43 N 0.10 1.50 0.29 0.54 0.13 -1.26 -4.25 119.36 116.40 1wir n ILE 43 Ca -0.08 -0.62 -0.16 0.00 -1.10 0.00 0.00 62.75 60.78 1wir n ILE 43 Cb 0.53 -1.31 -0.08 0.00 -0.84 0.00 0.00 39.64 37.93 1wir n ILE 43 CO 0.00 0.00 0.00 -0.78 2.80 0.00 0.00 176.55 178.57 1wir h ASP 44 N 0.01 -0.59 -0.88 9.51 1.82 -2.00 -2.74 116.42 121.55 1wir h ASP 44 Ca -0.56 0.00 0.22 0.00 -0.39 0.00 0.00 57.03 56.30 1wir h ASP 44 Cb 1.96 0.15 -0.13 0.00 0.68 0.00 0.00 39.33 41.99 1wir h ASP 44 CO -0.06 -0.39 0.35 0.28 -1.61 0.00 0.00 179.24 177.81 1wir h SER 45 N -0.73 0.26 -0.61 2.28 0.02 -2.01 0.17 113.55 112.93 1wir h SER 45 Ca -0.07 0.16 0.05 0.00 -0.84 0.00 0.00 61.79 61.09 1wir h SER 45 Cb 0.55 0.16 -0.05 0.00 0.14 0.00 0.00 62.40 63.20 1wir h SER 45 CO 0.12 -0.03 0.35 0.24 -1.14 0.00 0.00 176.83 176.36 1wir h MET 46 N 0.36 0.64 -0.71 3.45 2.86 -1.68 0.42 114.93 120.27 1wir h MET 46 Ca 0.55 -0.04 0.09 0.00 -2.06 0.00 0.00 59.70 58.24 1wir h MET 46 Cb 1.05 -0.14 -0.05 0.00 0.06 0.00 0.00 31.60 32.52 1wir h MET 46 CO -0.55 0.42 0.47 0.28 1.06 0.00 0.00 176.91 178.59 1wir h VAL 47 N 0.66 0.95 0.14 -2.22 2.07 -0.38 -0.92 116.25 116.55 1wir h VAL 47 Ca 0.26 -0.22 -0.30 0.00 0.82 0.00 0.00 66.70 67.27 1wir h VAL 47 Cb 0.12 0.27 0.02 0.00 -1.52 0.00 0.00 31.29 30.19 1wir h VAL 47 CO -0.15 0.11 -1.27 0.45 0.02 0.00 0.00 177.57 176.74 1wir h HIS 48 N 0.63 0.89 0.00 1.57 3.86 -0.94 0.17 115.15 121.32 1wir h HIS 48 Ca 0.32 -0.58 0.00 0.00 -1.16 0.00 0.00 60.37 58.95 1wir h HIS 48 Cb 0.42 -0.06 0.00 0.00 1.06 0.00 0.00 27.41 28.83 1wir h HIS 48 CO -0.00 1.43 0.00 1.63 0.86 0.00 0.00 177.93 181.85 1wir n LYS 49 N -3.73 0.00 0.00 2.45 5.02 0.04 -3.07 118.16 118.87 1wir n LYS 49 Ca -0.13 0.40 0.00 0.00 -2.02 0.00 0.00 58.31 56.56 1wir n LYS 49 Cb 1.00 -1.32 0.00 0.00 -0.02 0.00 0.00 35.03 34.69 1wir n LYS 49 CO 0.00 0.00 0.00 0.72 -0.52 0.00 0.00 177.40 177.60 1wir n HIS 50 N -1.69 0.00 -4.33 2.13 8.25 -0.43 -4.86 115.22 114.29 1wir n HIS 50 Ca 0.00 0.00 -0.34 0.00 -0.26 0.00 0.00 57.72 57.12 1wir n HIS 50 Cb 0.00 -0.04 -0.08 0.00 1.12 0.00 0.00 29.99 30.99 1wir n HIS 50 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1wir n GLY 51 N 0.27 -0.23 3.67 -1.41 0.00 -0.66 -4.76 105.19 102.07 1wir n GLY 51 Ca 0.00 0.14 -0.50 0.00 0.00 0.00 0.00 46.02 45.67 1wir n GLY 51 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1wir n LEU 52 N -4.41 2.86 -4.98 0.99 4.77 -0.04 -4.97 117.00 111.22 1wir n LEU 52 Ca -0.18 1.05 -0.24 0.00 -0.03 0.00 0.00 56.01 56.61 1wir n LEU 52 Cb 0.62 -1.32 0.11 0.00 -2.33 0.00 0.00 43.42 40.49 1wir n LEU 52 CO 0.87 -0.36 0.58 -1.61 -1.33 0.00 0.00 177.39 175.54 1wir s GLU 53 N 2.28 1.64 0.17 3.23 0.41 -1.26 -4.56 118.70 120.61 1wir s GLU 53 Ca 0.87 -0.95 -0.13 0.00 -0.41 0.00 0.00 54.97 54.36 1wir s GLU 53 Cb -0.79 -2.27 0.17 0.00 -1.78 0.00 0.00 34.13 29.47 1wir s GLU 53 CO 0.48 -1.51 1.13 0.34 -0.49 0.00 0.00 175.26 175.21 1wir n PHE 54 N -2.93 0.02 0.12 1.61 7.35 -1.26 0.45 117.46 122.82 1wir n PHE 54 Ca 0.14 0.89 -0.23 0.00 -0.76 0.00 0.00 57.45 57.50 1wir n PHE 54 Cb 0.60 -0.77 -0.14 0.00 0.35 0.00 0.00 39.48 39.52 1wir n PHE 54 CO 0.00 0.00 0.00 1.88 -0.76 0.00 0.00 176.76 177.88 1wir h TYR 55 N 0.00 0.97 -0.65 -5.13 0.05 -2.01 -3.36 116.97 106.84 1wir h TYR 55 Ca 0.25 -0.65 0.07 0.00 0.05 0.00 0.00 58.73 58.45 1wir h TYR 55 Cb 0.43 -0.06 -0.10 0.00 1.01 0.00 0.00 36.73 38.01 1wir h TYR 55 CO -0.64 1.50 -0.55 0.78 -1.05 0.00 0.00 178.16 178.20 1wir h GLY 56 N 0.34 -0.83 -0.40 3.88 0.00 -0.32 0.50 103.07 106.24 1wir h GLY 56 Ca -0.21 0.72 0.18 0.00 0.00 0.00 0.00 47.33 48.02 1wir h GLY 56 CO 0.25 -0.07 0.03 -1.82 0.00 0.00 0.00 176.54 174.93 1wir h TYR 57 N -0.23 -0.01 -0.14 5.60 3.20 -1.35 -0.13 116.97 123.92 1wir h TYR 57 Ca 0.13 0.06 0.05 0.00 3.14 0.00 0.00 58.73 62.10 1wir h TYR 57 Cb 0.53 0.13 -0.06 0.00 1.54 0.00 0.00 36.73 38.87 1wir h TYR 57 CO -0.83 -0.25 -0.22 0.82 -1.64 0.00 0.00 178.16 176.04 1wir h ILE 58 N 0.11 0.46 -0.79 1.81 2.04 -1.07 -1.63 117.51 118.44 1wir h ILE 58 Ca 0.44 0.00 0.11 0.00 1.00 0.00 0.00 64.86 66.41 1wir h ILE 58 Cb 0.79 0.46 -0.08 0.00 -0.74 0.00 0.00 36.82 37.24 1wir h ILE 58 CO -0.68 0.00 0.41 0.11 0.00 0.00 0.00 178.15 177.99 1wir h LYS 59 N -0.28 0.64 -0.28 2.37 1.57 -0.41 -1.68 116.57 118.51 1wir h LYS 59 Ca 0.10 -0.04 0.05 0.00 -1.87 0.00 0.00 60.65 58.90 1wir h LYS 59 Cb 0.43 -0.14 -0.05 0.00 0.08 0.00 0.00 32.23 32.54 1wir h LYS 59 CO -0.30 0.42 -0.04 1.25 -0.57 0.00 0.00 179.45 180.21 1wir h LEU 60 N 0.66 -0.20 0.31 2.94 7.12 -0.44 0.76 115.31 126.46 1wir h LEU 60 Ca 0.40 0.07 -0.02 0.00 0.13 0.00 0.00 57.88 58.47 1wir h LEU 60 Cb 0.47 0.15 0.00 0.00 -0.53 0.00 0.00 40.66 40.75 1wir h LEU 60 CO -0.30 -0.06 -0.15 0.40 -0.13 0.00 0.00 178.44 178.20 1wir h ILE 61 N 0.03 0.00 -0.73 4.05 1.08 -0.72 -2.81 117.51 118.41 1wir h ILE 61 Ca 0.13 -0.01 0.19 0.00 -0.39 0.00 0.00 64.86 64.78 1wir h ILE 61 Cb 0.19 0.00 -0.04 0.00 -3.07 0.00 0.00 36.82 33.90 1wir h ILE 61 CO -0.26 0.00 0.51 0.78 -0.69 0.00 0.00 178.15 178.49 1wir h ASN 62 N -0.43 0.14 -0.41 1.72 2.35 -1.31 -0.95 115.58 116.69 1wir h ASN 62 Ca -0.04 0.01 0.06 0.00 -0.55 0.00 0.00 56.30 55.78 1wir h ASN 62 Cb 0.32 -0.02 -0.06 0.00 0.05 0.00 0.00 38.32 38.62 1wir h ASN 62 CO 0.07 0.07 0.07 0.15 -1.65 0.00 0.00 177.43 176.14 1wir h PHE 63 N 0.15 0.12 0.00 1.19 3.57 0.74 -0.31 116.94 122.40 1wir h PHE 63 Ca 0.36 0.03 -0.04 0.00 3.53 0.00 0.00 57.97 61.84 1wir h PHE 63 Cb 1.20 0.01 -0.01 0.00 2.79 0.00 0.00 35.95 39.94 1wir h PHE 63 CO -0.00 0.00 -0.18 0.82 -2.23 0.00 0.00 178.31 176.72 1wir h ILE 64 N 0.20 0.39 -0.03 1.41 2.04 -0.94 -0.60 117.51 119.98 1wir h ILE 64 Ca 0.20 -1.18 -0.15 0.00 1.00 0.00 0.00 64.86 64.73 1wir h ILE 64 Cb 0.24 1.89 -0.02 0.00 -0.74 0.00 0.00 36.82 38.19 1wir h ILE 64 CO -0.26 0.18 -0.66 0.03 0.00 0.00 0.00 178.15 177.43 1wir h ARG 65 N 0.00 0.12 0.00 2.37 2.47 -0.66 -0.12 114.38 118.55 1wir h ARG 65 Ca -0.00 -0.09 -0.10 0.00 -1.26 0.00 0.00 59.98 58.53 1wir h ARG 65 Cb 0.87 0.02 -0.01 0.00 -1.65 0.00 0.00 29.97 29.19 1wir h ARG 65 CO 0.02 0.74 -0.98 -0.11 0.56 0.00 0.00 179.97 180.20 1wir n LEU 66 N -3.79 1.86 -0.06 3.04 0.00 -0.27 -4.56 117.00 113.22 1wir n LEU 66 Ca -0.02 0.50 -0.12 0.00 0.00 0.00 0.00 56.01 56.37 1wir n LEU 66 Cb 0.66 -0.86 -0.06 0.00 0.00 0.00 0.00 43.42 43.16 1wir n LEU 66 CO 0.44 -0.16 0.75 0.11 0.00 0.00 0.00 177.39 178.53 1wir h LYS 67 N -1.00 0.31 -5.02 1.96 1.79 -1.26 -3.48 116.57 109.87 1wir h LYS 67 Ca -0.15 -0.10 -0.28 0.00 -2.18 0.00 0.00 60.65 57.94 1wir h LYS 67 Cb 0.89 -0.03 0.14 0.00 -1.58 0.00 0.00 32.23 31.65 1wir h LYS 67 CO -0.09 0.52 -0.62 0.09 -1.08 0.00 0.00 179.45 178.27 1wir n ASN 68 N -4.73 -2.75 -2.66 0.86 3.02 -0.06 -5.02 115.26 103.93 1wir n ASN 68 Ca -0.05 -0.50 0.00 0.00 -0.03 0.00 0.00 54.58 54.00 1wir n ASN 68 Cb 0.22 -4.32 0.00 0.00 -0.61 0.00 0.00 39.78 35.07 1wir n ASN 68 CO 0.00 0.00 0.00 -0.81 -2.62 0.00 0.00 177.26 173.83 1wir n PRO 69 N -3.72 -0.72 -4.46 3.52 -0.04 -1.26 -5.06 135.00 123.26 1wir n PRO 69 Ca -0.19 0.00 -0.29 0.00 -0.04 0.00 0.00 63.50 62.98 1wir n PRO 69 Cb 0.62 0.00 -0.13 0.00 -0.04 0.00 0.00 33.50 33.95 1wir n PRO 69 CO 0.00 0.00 0.00 -0.08 -0.04 0.00 0.00 175.50 175.38 1wir s THR 70 N -0.85 2.25 0.18 0.52 -1.32 -1.26 -4.91 115.64 110.25 1wir s THR 70 Ca 0.00 -1.71 -0.24 0.00 -1.21 0.00 0.00 61.69 58.53 1wir s THR 70 Cb 0.00 -1.98 0.08 0.00 -1.51 0.00 0.00 72.50 69.09 1wir s THR 70 CO 0.00 0.13 1.56 0.58 -2.21 0.00 0.00 174.62 174.68 1wir h VAL 71 N 3.92 0.07 -1.29 5.08 2.07 -1.98 0.42 116.25 124.55 1wir h VAL 71 Ca -0.50 0.00 0.44 0.00 0.82 0.00 0.00 66.70 67.45 1wir h VAL 71 Cb 1.17 0.07 -0.12 0.00 -1.52 0.00 0.00 31.29 30.89 1wir h VAL 71 CO 0.40 0.00 0.84 -0.62 0.02 0.00 0.00 177.57 178.20 1wir n GLU 72 N -5.41 -0.03 0.01 1.57 -0.58 -1.26 0.59 120.64 115.53 1wir n GLU 72 Ca 0.04 1.11 -0.11 0.00 -0.42 0.00 0.00 57.16 57.78 1wir n GLU 72 Cb 0.35 -2.21 -0.08 0.00 -0.57 0.00 0.00 31.44 28.93 1wir n GLU 72 CO 0.00 0.00 0.00 -0.92 -0.48 0.00 0.00 177.13 175.73 1wir h TYR 73 N 0.00 -0.11 -0.83 -0.32 3.20 -0.53 -3.23 116.97 115.14 1wir h TYR 73 Ca 0.79 -0.00 0.24 0.00 3.14 0.00 0.00 58.73 62.90 1wir h TYR 73 Cb 2.62 0.04 -0.03 0.00 1.54 0.00 0.00 36.73 40.89 1wir h TYR 73 CO -0.00 0.42 0.69 0.52 -1.64 0.00 0.00 178.16 178.14 1wir h MET 74 N -0.87 0.00 -0.25 1.82 2.86 0.42 0.47 114.93 119.38 1wir h MET 74 Ca -0.01 0.00 -0.02 0.00 -2.06 0.00 0.00 59.70 57.60 1wir h MET 74 Cb 0.58 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.23 1wir h MET 74 CO 0.02 0.00 0.05 -0.91 1.06 0.00 0.00 176.91 177.13 1wir h ASN 75 N 0.00 0.32 -3.69 1.22 2.35 -1.23 -3.32 115.58 111.23 1wir h ASN 75 Ca 0.40 -0.04 -0.63 0.00 -0.55 0.00 0.00 56.30 55.48 1wir h ASN 75 Cb 1.76 -0.08 -0.41 0.00 0.05 0.00 0.00 38.32 39.64 1wir h ASN 75 CO -0.00 0.34 -0.63 -0.44 -1.65 0.00 0.00 177.43 175.05 1wir s SER 76 N -6.82 4.38 -0.06 5.81 0.01 0.17 -5.08 113.70 112.12 1wir s SER 76 Ca -0.07 -3.35 0.06 0.00 1.31 0.00 0.00 55.95 53.90 1wir s SER 76 Cb 0.16 -1.55 -0.01 0.00 0.21 0.00 0.00 66.02 64.83 1wir s SER 76 CO 0.73 -0.17 -0.23 -0.63 0.41 0.00 0.00 173.24 173.35 1wir s ILE 77 N -0.73 2.22 0.31 1.44 -1.09 -1.25 -4.94 121.20 117.15 1wir s ILE 77 Ca 0.21 -1.02 0.04 0.00 -2.23 0.00 0.00 60.65 57.66 1wir s ILE 77 Cb -0.16 -1.81 -0.03 0.00 -1.58 0.00 0.00 42.46 38.88 1wir s ILE 77 CO -0.08 0.57 0.20 -0.72 -1.23 0.00 0.00 174.94 173.69 1wir s TYR 78 N -0.26 1.61 0.01 3.97 1.13 -1.26 -5.08 117.35 117.48 1wir s TYR 78 Ca -0.00 -1.49 -0.10 0.00 -1.41 0.00 0.00 57.07 54.07 1wir s TYR 78 Cb -0.13 -0.78 -0.05 0.00 -1.10 0.00 0.00 41.96 39.90 1wir s TYR 78 CO 0.03 -0.67 0.33 1.21 -2.51 0.00 0.00 175.55 173.93 1wir s ASN 79 N -3.36 6.60 0.12 -0.18 2.47 -1.26 -2.15 114.94 117.19 1wir s ASN 79 Ca 0.37 0.72 -0.31 0.00 0.42 0.00 0.00 52.86 54.06 1wir s ASN 79 Cb 0.04 -2.15 -0.08 0.00 -1.45 0.00 0.00 41.25 37.61 1wir s ASN 79 CO 0.21 0.27 1.35 -2.16 -3.72 0.00 0.00 177.10 173.05 1wir s PRO 80 N -1.54 4.34 0.69 0.43 0.04 -1.26 -5.12 135.00 132.59 1wir s PRO 80 Ca 0.26 2.04 -0.17 0.00 0.04 0.00 0.00 61.00 63.17 1wir s PRO 80 Cb -0.14 -3.25 0.01 0.00 0.04 0.00 0.00 34.50 31.16 1wir s PRO 80 CO 0.14 -0.38 1.20 1.33 0.04 0.00 0.00 177.00 179.33 1wir n VAL 81 N 3.72 3.96 0.97 -0.36 0.24 -0.91 -4.85 118.33 121.09 1wir n VAL 81 Ca 0.10 -0.42 0.07 0.00 -2.04 0.00 0.00 64.34 62.05 1wir n VAL 81 Cb 0.43 -1.35 0.39 0.00 -1.47 0.00 0.00 33.84 31.85 1wir n VAL 81 CO 0.00 0.00 0.00 -0.81 -2.14 0.00 0.00 176.83 173.88 1wir n PRO 82 N -2.12 0.49 -0.41 7.34 -0.04 -1.26 -2.13 135.00 136.86 1wir n PRO 82 Ca 0.15 0.00 0.07 0.00 -0.04 0.00 0.00 63.50 63.68 1wir n PRO 82 Cb 0.49 -1.43 0.15 0.00 -0.04 0.00 0.00 33.50 32.68 1wir n PRO 82 CO 0.00 0.00 0.00 -2.67 -0.04 0.00 0.00 175.50 172.79 1wir n TRP 83 N -0.93 0.00 -1.17 0.54 2.14 -1.26 -4.79 117.44 111.97 1wir n TRP 83 Ca 0.10 -1.12 -0.24 0.00 2.07 0.00 0.00 57.50 58.31 1wir n TRP 83 Cb 0.05 -0.19 0.02 0.00 -0.81 0.00 0.00 31.31 30.38 1wir n TRP 83 CO 0.00 0.00 0.00 0.39 2.07 0.00 0.00 177.69 180.15 1wir n GLU 84 N -1.10 2.16 -4.34 -2.67 -0.58 -0.91 -4.68 120.64 108.52 1wir n GLU 84 Ca 0.16 -2.16 -0.29 0.00 -0.42 0.00 0.00 57.16 54.45 1wir n GLU 84 Cb 0.70 -1.90 -0.17 0.00 -0.57 0.00 0.00 31.44 29.50 1wir n GLU 84 CO 0.00 0.00 0.00 0.15 -0.48 0.00 0.00 177.13 176.80 1wir s LYS 85 N -2.26 2.22 0.20 3.49 -0.14 -1.26 -5.03 119.74 116.97 1wir s LYS 85 Ca 0.45 -0.55 -0.18 0.00 -1.36 0.00 0.00 55.97 54.33 1wir s LYS 85 Cb 0.34 -1.93 0.18 0.00 -1.68 0.00 0.00 37.83 34.74 1wir s LYS 85 CO -0.08 -0.11 1.59 -0.44 -0.76 0.00 0.00 175.35 175.55 1wir h ASP 86 N 7.58 -1.06 -0.74 2.83 3.32 -2.02 0.87 116.42 127.20 1wir h ASP 86 Ca -0.33 0.23 0.25 0.00 0.02 0.00 0.00 57.03 57.21 1wir h ASP 86 Cb 1.16 0.56 -0.14 0.00 0.22 0.00 0.00 39.33 41.14 1wir h ASP 86 CO 0.50 -0.29 0.19 -0.62 -1.72 0.00 0.00 179.24 177.30 1wir n GLU 87 N -5.45 -0.05 -0.18 3.56 -0.58 -1.26 0.22 120.64 116.90 1wir n GLU 87 Ca 0.06 1.08 -0.03 0.00 -0.42 0.00 0.00 57.16 57.85 1wir n GLU 87 Cb 0.37 -1.81 0.07 0.00 -0.57 0.00 0.00 31.44 29.50 1wir n GLU 87 CO 0.00 0.00 0.00 1.88 -0.48 0.00 0.00 177.13 178.53 1wir h TYR 88 N 0.00 0.45 -0.89 -0.32 0.05 -1.19 -2.09 116.97 112.98 1wir h TYR 88 Ca 0.53 0.02 0.35 0.00 0.05 0.00 0.00 58.73 59.68 1wir h TYR 88 Cb 1.27 -0.12 -0.13 0.00 1.01 0.00 0.00 36.73 38.76 1wir h TYR 88 CO -0.21 0.19 0.52 1.28 -1.05 0.00 0.00 178.16 178.89 1wir n LEU 89 N -4.92 0.23 -4.77 3.88 4.77 0.60 -4.31 117.00 112.49 1wir n LEU 89 Ca 0.06 1.22 -0.40 0.00 -0.03 0.00 0.00 56.01 56.86 1wir n LEU 89 Cb 0.18 -0.60 -0.01 0.00 -2.33 0.00 0.00 43.42 40.66 1wir n LEU 89 CO 0.27 -1.36 0.96 -0.54 -1.33 0.00 0.00 177.39 175.39 1wir s LYS 90 N -5.08 4.18 -0.80 3.23 3.01 -0.79 -4.85 119.74 118.63 1wir s LYS 90 Ca -0.07 2.17 -0.25 0.00 -1.01 0.00 0.00 55.97 56.81 1wir s LYS 90 Cb 0.26 -2.92 -0.04 0.00 -1.01 0.00 0.00 37.83 34.12 1wir s LYS 90 CO 0.62 -0.32 1.92 -1.25 0.51 0.00 0.00 175.35 176.84 1wir s PRO 91 N -2.00 2.57 0.44 -1.68 0.04 -1.26 -4.82 135.00 128.28 1wir s PRO 91 Ca 0.53 0.02 0.31 0.00 0.04 0.00 0.00 61.00 61.89 1wir s PRO 91 Cb -0.39 -4.83 1.45 0.00 0.04 0.00 0.00 34.50 30.77 1wir s PRO 91 CO 0.50 -3.16 1.61 0.28 0.04 0.00 0.00 177.00 176.27 1wir h VAL 92 N 7.14 0.09 -5.57 -0.36 2.07 -1.90 -3.40 116.25 114.31 1wir h VAL 92 Ca -0.02 -0.02 -0.51 0.00 0.82 0.00 0.00 66.70 66.97 1wir h VAL 92 Cb 1.06 0.02 -0.05 0.00 -1.52 0.00 0.00 31.29 30.80 1wir h VAL 92 CO 1.21 0.01 -0.25 0.18 0.02 0.00 0.00 177.57 178.74 1wir n LEU 93 N -4.71 0.00 -4.88 2.57 4.32 -1.26 -5.09 117.00 107.95 1wir n LEU 93 Ca 0.38 -2.51 -0.36 0.00 -0.02 0.00 0.00 56.01 53.50 1wir n LEU 93 Cb 1.48 -0.01 -0.06 0.00 -1.62 0.00 0.00 43.42 43.20 1wir n LEU 93 CO 0.20 -0.54 -0.17 -0.70 -1.22 0.00 0.00 177.39 174.97 1wir s GLU 94 N -3.94 3.44 -1.51 3.23 2.12 -1.26 -4.45 118.70 116.33 1wir s GLU 94 Ca 0.25 -0.16 -0.05 0.00 0.36 0.00 0.00 54.97 55.37 1wir s GLU 94 Cb -0.02 -3.17 0.04 0.00 0.26 0.00 0.00 34.13 31.24 1wir s GLU 94 CO 0.16 0.76 0.42 -3.47 -0.54 0.00 0.00 175.26 172.59 1wir n ASP 95 N 1.80 -0.74 -4.62 -1.70 2.03 -1.26 -4.80 116.55 107.27 1wir n ASP 95 Ca -0.18 -1.07 -0.43 0.00 0.52 0.00 0.00 54.79 53.63 1wir n ASP 95 Cb 0.55 -2.65 -0.03 0.00 -0.72 0.00 0.00 41.12 38.27 1wir n ASP 95 CO 0.00 0.00 0.00 -0.62 -1.92 0.00 0.00 177.20 174.66 1wir s ASP 96 N -4.11 5.91 0.03 1.67 -1.08 -1.26 -4.88 116.67 112.95 1wir s ASP 96 Ca 0.19 1.89 -0.24 0.00 -0.52 0.00 0.00 52.55 53.87 1wir s ASP 96 Cb -0.10 -2.52 -0.17 0.00 -1.46 0.00 0.00 42.92 38.67 1wir s ASP 96 CO 0.92 -1.60 1.47 -0.07 0.52 0.00 0.00 175.17 176.41 1wir h LEU 97 N 13.29 0.07 -0.90 -1.34 3.38 -1.89 -3.06 115.31 124.86 1wir h LEU 97 Ca -0.40 -0.29 0.25 0.00 0.09 0.00 0.00 57.88 57.53 1wir h LEU 97 Cb 1.21 -0.02 -0.15 0.00 0.09 0.00 0.00 40.66 41.79 1wir h LEU 97 CO 0.98 0.34 0.22 -0.07 0.09 0.00 0.00 178.44 180.00 1wir h LEU 98 N -0.21 -0.05 -1.81 1.67 3.38 -1.93 1.16 115.31 117.51 1wir h LEU 98 Ca 0.01 0.21 -0.00 0.00 0.09 0.00 0.00 57.88 58.20 1wir h LEU 98 Cb 0.31 0.30 -0.01 0.00 0.09 0.00 0.00 40.66 41.35 1wir h LEU 98 CO 0.00 -0.21 0.10 -0.07 0.09 0.00 0.00 178.44 178.36 1wir h LEU 99 N 0.16 0.20 -0.66 1.67 4.07 -1.94 -1.98 115.31 116.84 1wir h LEU 99 Ca 0.58 -0.01 -0.07 0.00 0.08 0.00 0.00 57.88 58.46 1wir h LEU 99 Cb 1.21 -0.05 -0.03 0.00 1.08 0.00 0.00 40.66 42.87 1wir h LEU 99 CO -0.70 0.15 0.12 1.56 -1.08 0.00 0.00 178.44 178.49 1wir h GLN 100 N 0.23 1.08 -5.39 1.13 1.08 0.14 -3.45 115.11 109.93 1wir h GLN 100 Ca 0.06 -0.28 -0.73 0.00 -1.45 0.00 0.00 58.65 56.25 1wir h GLN 100 Cb -0.01 -0.13 0.04 0.00 -0.05 0.00 0.00 27.48 27.33 1wir h GLN 100 CO -0.01 0.99 0.20 0.34 -0.95 0.00 0.00 178.83 179.40 1wir n PHE 101 N -4.25 0.84 -2.59 2.96 -0.00 -0.75 -4.76 117.46 108.91 1wir n PHE 101 Ca 0.04 0.97 -0.43 0.00 -0.00 0.00 0.00 57.45 58.03 1wir n PHE 101 Cb 0.28 -1.91 -0.00 0.00 -0.00 0.00 0.00 39.48 37.85 1wir n PHE 101 CO 0.00 0.00 0.00 -0.51 -0.00 0.00 0.00 176.76 176.25 1wir s ASP 102 N 0.70 6.84 0.52 -2.13 1.11 -1.26 -4.80 116.67 117.65 1wir s ASP 102 Ca 0.85 -2.45 0.39 0.00 0.18 0.00 0.00 52.55 51.52 1wir s ASP 102 Cb -1.19 -2.57 1.57 0.00 1.07 0.00 0.00 42.92 41.79 1wir s ASP 102 CO 0.57 -1.16 1.68 1.62 1.18 0.00 0.00 175.17 179.06 1wir h VAL 103 N 5.56 0.22 -0.68 -1.27 3.04 -1.92 0.14 116.25 121.33 1wir h VAL 103 Ca 0.44 -0.02 0.15 0.00 -1.01 0.00 0.00 66.70 66.26 1wir h VAL 103 Cb 0.87 0.17 -0.12 0.00 -2.01 0.00 0.00 31.29 30.20 1wir h VAL 103 CO 1.45 0.01 -0.03 -0.33 -1.01 0.00 0.00 177.57 177.66 1wir h GLU 104 N 0.04 0.08 -1.27 4.17 4.39 -1.96 0.37 114.58 120.42 1wir h GLU 104 Ca 0.75 -0.01 0.37 0.00 0.34 0.00 0.00 59.36 60.82 1wir h GLU 104 Cb 2.83 -0.02 -0.08 0.00 -0.10 0.00 0.00 28.75 31.38 1wir h GLU 104 CO -0.10 0.06 0.87 -0.44 -1.16 0.00 0.00 179.01 178.24 1wir h ASP 105 N 0.09 0.16 -0.69 1.42 3.32 -1.13 0.68 116.42 120.27 1wir h ASP 105 Ca 0.36 0.05 -0.04 0.00 0.02 0.00 0.00 57.03 57.41 1wir h ASP 105 Cb 0.60 0.03 -0.03 0.00 0.22 0.00 0.00 39.33 40.14 1wir h ASP 105 CO -0.61 -0.01 0.26 -0.07 -1.72 0.00 0.00 179.24 177.09 1wir h LEU 106 N 0.12 0.98 -9.14 1.55 3.38 -0.40 -3.41 115.31 108.39 1wir h LEU 106 Ca 0.66 -0.15 -0.56 0.00 0.09 0.00 0.00 57.88 57.92 1wir h LEU 106 Cb 2.31 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 42.80 1wir h LEU 106 CO -0.16 0.88 1.22 -0.31 0.09 0.00 0.00 178.44 180.16 1wir s TYR 107 N -5.45 1.69 -0.19 1.13 2.02 0.24 -4.98 117.35 111.81 1wir s TYR 107 Ca -0.11 0.24 -0.11 0.00 -0.37 0.00 0.00 57.07 56.71 1wir s TYR 107 Cb 0.16 -4.03 -0.05 0.00 -0.40 0.00 0.00 41.96 37.64 1wir s TYR 107 CO 0.82 -3.97 0.18 -2.00 -1.57 0.00 0.00 175.55 169.01 1wir s GLU 108 N 4.86 4.21 0.23 -0.62 2.12 -1.26 -5.03 118.70 123.20 1wir s GLU 108 Ca 0.82 -0.13 -0.30 0.00 0.36 0.00 0.00 54.97 55.72 1wir s GLU 108 Cb -0.32 -3.43 -0.09 0.00 0.26 0.00 0.00 34.13 30.55 1wir s GLU 108 CO 0.33 0.27 1.28 -1.25 -0.54 0.00 0.00 175.26 175.36 1wir s PRO 109 N 0.42 4.41 -0.02 4.30 0.04 -1.26 -5.04 135.00 137.86 1wir s PRO 109 Ca 0.10 2.05 0.06 0.00 0.04 0.00 0.00 61.00 63.25 1wir s PRO 109 Cb -0.12 -3.18 -0.03 0.00 0.04 0.00 0.00 34.50 31.22 1wir s PRO 109 CO -0.00 -0.19 -0.19 0.08 0.04 0.00 0.00 177.00 176.74 1wir s VAL 110 N -0.22 2.71 -0.89 -0.36 1.01 -1.26 -4.66 120.40 116.72 1wir s VAL 110 Ca 0.54 -0.96 -0.04 0.00 0.00 0.00 0.00 61.98 61.51 1wir s VAL 110 Cb -0.36 -2.06 0.00 0.00 0.00 0.00 0.00 36.38 33.97 1wir s VAL 110 CO 0.41 0.51 0.77 -0.24 0.00 0.00 0.00 175.10 176.55 1wir n SER 111 N 2.12 -4.10 -4.16 3.32 2.88 -1.26 -5.03 113.62 107.39 1wir n SER 111 Ca -0.17 -0.38 -0.24 0.00 -1.33 0.00 0.00 58.87 56.75 1wir n SER 111 Cb 0.52 -3.61 -0.15 0.00 -0.75 0.00 0.00 64.21 60.21 1wir n SER 111 CO 0.00 0.00 0.00 0.28 -1.23 0.00 0.00 175.04 174.09 1wir s THR 112 N -3.23 1.34 -2.00 2.46 -1.32 -1.26 -5.01 115.64 106.62 1wir s THR 112 Ca 0.28 -0.76 0.05 0.00 -1.21 0.00 0.00 61.69 60.04 1wir s THR 112 Cb -0.12 -1.12 0.13 0.00 -1.51 0.00 0.00 72.50 69.88 1wir s THR 112 CO 0.50 0.35 0.74 -0.81 -2.21 0.00 0.00 174.62 173.19 1wir n PRO 113 N 2.57 0.49 -1.52 7.08 -0.04 -1.26 -4.80 135.00 137.53 1wir n PRO 113 Ca -0.15 0.00 -0.45 0.00 -0.04 0.00 0.00 63.50 62.86 1wir n PRO 113 Cb 0.54 -1.15 -0.05 0.00 -0.04 0.00 0.00 33.50 32.80 1wir n PRO 113 CO 0.00 0.00 0.00 0.34 -0.04 0.00 0.00 175.50 175.80 1wir n PHE 114 N -0.65 1.66 -2.77 0.54 7.35 -1.26 -4.91 117.46 117.42 1wir n PHE 114 Ca 0.03 0.11 -0.42 0.00 -0.76 0.00 0.00 57.45 56.42 1wir n PHE 114 Cb 0.02 -2.61 -0.03 0.00 0.35 0.00 0.00 39.48 37.20 1wir n PHE 114 CO 0.00 0.00 0.00 -1.12 -0.76 0.00 0.00 176.76 174.88 1wir s SER 115 N 8.49 7.30 0.08 -2.13 0.01 -1.26 -4.98 113.70 121.21 1wir s SER 115 Ca 1.06 1.57 -0.35 0.00 1.31 0.00 0.00 55.95 59.54 1wir s SER 115 Cb -0.59 -2.54 -0.18 0.00 0.21 0.00 0.00 66.02 62.92 1wir s SER 115 CO 0.41 -0.23 1.58 -1.28 0.41 0.00 0.00 173.24 174.13 1wir h SER 116 N 6.79 -1.16 0.00 2.44 0.87 -1.99 -3.45 113.55 117.04 1wir h SER 116 Ca -0.41 0.07 0.00 0.00 -1.23 0.00 0.00 61.79 60.22 1wir h SER 116 Cb 1.22 0.35 0.00 0.00 -0.44 0.00 0.00 62.40 63.53 1wir h SER 116 CO 0.75 -0.68 0.00 0.61 -0.53 0.00 0.00 176.83 176.98 1wir n GLY 117 N -1.58 -1.37 0.00 5.77 0.00 -1.26 -5.01 105.19 101.74 1wir n GLY 117 Ca -0.14 0.92 0.08 0.00 0.00 0.00 0.00 46.02 46.88 1wir n GLY 117 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1wir n PRO 118 N 0.00 0.46 -2.96 1.61 -0.04 -1.26 -4.66 135.00 128.15 1wir n PRO 118 Ca 0.00 0.01 -0.42 0.00 -0.04 0.00 0.00 63.50 63.06 1wir n PRO 118 Cb 0.00 -1.50 -0.05 0.00 -0.04 0.00 0.00 33.50 31.91 1wir n PRO 118 CO 0.00 0.00 0.00 -1.54 -0.04 0.00 0.00 175.50 173.92 1wir s SER 119 N -2.06 6.61 0.36 3.54 1.04 -1.26 -5.04 113.70 116.89 1wir s SER 119 Ca 0.22 0.51 0.07 0.00 0.48 0.00 0.00 55.95 57.24 1wir s SER 119 Cb 0.11 -2.40 -0.07 0.00 0.10 0.00 0.00 66.02 63.76 1wir s SER 119 CO 0.18 -0.66 -0.01 -0.94 0.98 0.00 0.00 173.24 172.79 1wir s SER 120 N 1.72 3.35 0.00 7.02 1.04 -1.26 -5.23 113.70 120.34 1wir s SER 120 Ca 0.32 -1.31 0.00 0.00 0.48 0.00 0.00 55.95 55.44 1wir s SER 120 Cb -0.14 -0.29 0.00 0.00 0.10 0.00 0.00 66.02 65.70 1wir s SER 120 CO 0.14 -0.41 0.00 0.61 0.98 0.00 0.00 173.24 174.56