#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wir n SER 2 N 0.00 -2.68 -4.10 1.61 7.64 -1.26 -5.03 113.62 109.81 1wir n SER 2 Ca 0.00 -0.09 -0.10 0.00 1.01 0.00 0.00 58.87 59.68 1wir n SER 2 Cb 0.00 -0.72 -0.09 0.00 -1.01 0.00 0.00 64.21 62.39 1wir n SER 2 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 1wir s SER 3 N -1.45 0.16 0.10 6.43 1.04 -1.26 -5.07 113.70 113.66 1wir s SER 3 Ca 0.43 -1.13 -0.12 0.00 0.48 0.00 0.00 55.95 55.61 1wir s SER 3 Cb -0.01 0.38 -0.15 0.00 0.10 0.00 0.00 66.02 66.34 1wir s SER 3 CO 0.60 -0.84 1.30 1.23 0.98 0.00 0.00 173.24 176.52 1wir h GLY 4 N 2.67 0.82 -4.61 7.32 0.00 -2.09 -3.48 103.07 103.70 1wir h GLY 4 Ca -0.34 -1.21 -0.28 0.00 0.00 0.00 0.00 47.33 45.50 1wir h GLY 4 CO 0.53 1.08 -0.52 1.44 0.00 0.00 0.00 176.54 179.06 1wir n SER 5 N -3.91 -4.25 -4.78 0.19 7.64 -1.26 -5.01 113.62 102.23 1wir n SER 5 Ca -0.08 -0.42 -0.35 0.00 1.01 0.00 0.00 58.87 59.04 1wir n SER 5 Cb 0.77 -3.87 -0.07 0.00 -1.01 0.00 0.00 64.21 60.03 1wir n SER 5 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 1wir s SER 6 N -3.48 5.77 0.40 6.43 0.15 -1.26 -5.12 113.70 116.60 1wir s SER 6 Ca 0.30 0.25 0.07 0.00 0.70 0.00 0.00 55.95 57.27 1wir s SER 6 Cb -0.13 -1.72 -0.07 0.00 -1.71 0.00 0.00 66.02 62.39 1wir s SER 6 CO 0.54 0.34 0.07 -0.83 1.20 0.00 0.00 173.24 174.57 1wir s GLY 7 N -1.28 2.38 -0.05 9.45 0.00 -1.26 -5.15 107.32 111.42 1wir s GLY 7 Ca 0.18 -2.18 0.04 0.00 0.00 0.00 0.00 44.72 42.75 1wir s GLY 7 CO 0.08 -2.00 -0.15 -0.54 0.00 0.00 0.00 173.10 170.49 1wir s GLU 8 N -3.78 1.67 0.93 2.90 2.02 -1.26 -5.14 118.70 116.03 1wir s GLU 8 Ca 0.37 -0.53 -0.12 0.00 0.02 0.00 0.00 54.97 54.71 1wir s GLU 8 Cb 0.06 -1.44 0.15 0.00 0.10 0.00 0.00 34.13 33.00 1wir s GLU 8 CO 0.20 0.18 1.09 -1.25 0.02 0.00 0.00 175.26 175.50 1wir s PRO 9 N 0.18 0.97 0.23 0.39 0.04 -1.26 -5.08 135.00 130.48 1wir s PRO 9 Ca -0.06 0.72 0.12 0.00 0.04 0.00 0.00 61.00 61.81 1wir s PRO 9 Cb -0.12 -1.78 -0.05 0.00 0.04 0.00 0.00 34.50 32.59 1wir s PRO 9 CO 0.02 -2.41 -0.22 0.00 0.04 0.00 0.00 177.00 174.43 1wir s ALA 10 N -2.94 2.62 -0.88 8.56 0.00 -1.26 -5.02 121.76 122.84 1wir s ALA 10 Ca 0.64 -1.75 -0.19 0.00 0.00 0.00 0.00 51.96 50.66 1wir s ALA 10 Cb -0.18 -0.30 -0.23 0.00 0.00 0.00 0.00 23.12 22.41 1wir s ALA 10 CO 0.57 0.36 2.33 1.58 0.00 0.00 0.00 175.76 180.60 1wir n HIS 11 N -0.13 0.62 0.00 0.00 -0.00 -1.26 -4.46 115.22 109.99 1wir n HIS 11 Ca -0.09 0.04 0.00 0.00 0.46 0.00 0.00 57.72 58.13 1wir n HIS 11 Cb 0.58 -1.67 0.00 0.00 -0.12 0.00 0.00 29.99 28.78 1wir n HIS 11 CO 0.00 0.00 0.00 0.41 0.46 0.00 0.00 176.34 177.21 1wir n GLY 12 N 6.13 3.92 3.28 1.57 0.00 -1.26 -5.17 105.19 113.66 1wir n GLY 12 Ca 0.57 -1.33 -0.09 0.00 0.00 0.00 0.00 46.02 45.17 1wir n GLY 12 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1wir s ARG 13 N -5.15 1.01 -0.16 1.61 3.52 -1.26 -5.11 118.95 113.40 1wir s ARG 13 Ca 0.00 -1.06 -0.07 0.00 -0.13 0.00 0.00 55.73 54.48 1wir s ARG 13 Cb 0.00 0.36 -0.04 0.00 -1.56 0.00 0.00 34.95 33.72 1wir s ARG 13 CO 0.00 -0.35 0.06 1.14 -0.81 0.00 0.00 175.30 175.34 1wir s GLN 14 N -3.91 3.79 0.02 5.12 0.00 -1.26 -5.10 119.66 118.32 1wir s GLN 14 Ca 0.11 -0.33 0.06 0.00 -0.00 0.00 0.00 55.36 55.19 1wir s GLN 14 Cb 0.04 -3.15 -0.02 0.00 0.00 0.00 0.00 33.01 29.88 1wir s GLN 14 CO -0.06 0.38 -0.17 -1.01 0.00 0.00 0.00 175.29 174.44 1wir s HIS 15 N 0.06 1.48 -0.16 9.60 3.76 -1.26 -4.62 115.29 124.16 1wir s HIS 15 Ca 0.05 -0.33 0.01 0.00 -0.15 0.00 0.00 55.06 54.65 1wir s HIS 15 Cb -0.12 -0.91 0.01 0.00 1.11 0.00 0.00 32.58 32.67 1wir s HIS 15 CO 0.01 0.03 -0.18 -0.08 -0.85 0.00 0.00 174.74 173.66 1wir s THR 16 N -0.65 2.34 0.96 1.30 -1.32 0.13 -4.84 115.64 113.57 1wir s THR 16 Ca 0.05 -0.87 -0.12 0.00 -1.21 0.00 0.00 61.69 59.54 1wir s THR 16 Cb -0.07 -1.97 0.17 0.00 -1.51 0.00 0.00 72.50 69.11 1wir s THR 16 CO 0.01 0.53 1.09 -2.16 -2.21 0.00 0.00 174.62 171.88 1wir s PRO 17 N 0.96 0.71 0.63 7.08 0.04 -1.26 -1.23 135.00 141.93 1wir s PRO 17 Ca -0.03 0.63 -0.10 0.00 0.04 0.00 0.00 61.00 61.54 1wir s PRO 17 Cb -0.15 -1.76 -0.02 0.00 0.04 0.00 0.00 34.50 32.61 1wir s PRO 17 CO -0.04 -2.57 1.02 0.00 0.04 0.00 0.00 177.00 175.45 1wir h LEU 19 N -0.35 0.61 0.04 0.00 -0.00 -1.91 -3.40 115.31 110.30 1wir h LEU 19 Ca -0.45 -0.88 -0.23 0.00 -0.00 0.00 0.00 57.88 56.33 1wir h LEU 19 Cb 1.21 -0.20 -0.02 0.00 -0.00 0.00 0.00 40.66 41.65 1wir h LEU 19 CO 0.62 1.74 -1.22 -0.26 -0.00 0.00 0.00 178.44 179.33 1wir h PHE 20 N 0.11 0.14 -4.97 1.13 0.04 -1.92 -3.43 116.94 108.05 1wir h PHE 20 Ca -0.33 -0.10 -0.26 0.00 2.80 0.00 0.00 57.97 60.08 1wir h PHE 20 Cb 2.10 -0.01 -0.01 0.00 2.20 0.00 0.00 35.95 40.23 1wir h PHE 20 CO 0.10 1.48 -0.10 0.00 -0.60 0.00 0.00 178.31 179.18 1wir n ASP 22 N -2.13 6.20 -4.67 0.00 -0.08 -1.26 -3.65 116.55 110.96 1wir n ASP 22 Ca 0.01 -3.78 -0.37 0.00 -1.51 0.00 0.00 54.79 49.15 1wir n ASP 22 Cb 0.29 -0.75 -0.09 0.00 2.34 0.00 0.00 41.12 42.92 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 -3.79 4.12 0.09 -0.67 0.52 -1.26 -4.81 118.95 113.14 1wir s ARG 23 Ca 0.52 -0.11 -0.22 0.00 -0.52 0.00 0.00 55.73 55.40 1wir s ARG 23 Cb 0.43 -3.53 -0.07 0.00 0.52 0.00 0.00 34.95 32.31 1wir s ARG 23 CO -0.23 0.06 0.65 -0.51 0.02 0.00 0.00 175.30 175.28 1wir s LEU 24 N 1.06 4.53 0.12 2.53 1.43 -1.26 -0.45 118.68 126.63 1wir s LEU 24 Ca 0.11 1.38 0.05 0.00 -1.03 0.00 0.00 54.13 54.64 1wir s LEU 24 Cb -0.14 -3.04 -0.04 0.00 0.03 0.00 0.00 46.19 43.00 1wir s LEU 24 CO 0.05 0.21 -0.12 -0.36 0.23 0.00 0.00 176.35 176.36 1wir s PHE 25 N -0.91 1.24 0.01 0.29 0.40 -0.36 -4.92 117.98 113.74 1wir s PHE 25 Ca 0.32 -0.63 -0.25 0.00 -0.60 0.00 0.00 56.93 55.77 1wir s PHE 25 Cb -0.20 -0.66 -0.17 0.00 0.51 0.00 0.00 43.02 42.50 1wir s PHE 25 CO 0.21 0.08 1.27 0.00 0.70 0.00 0.00 175.22 177.48 1wir h ALA 26 N 3.39 -0.37 -1.17 5.36 0.00 -1.86 0.38 119.26 125.00 1wir h ALA 26 Ca -0.38 -0.18 -0.63 0.00 0.00 0.00 0.00 54.91 53.72 1wir h ALA 26 Cb 1.19 0.14 -0.13 0.00 0.00 0.00 0.00 17.79 18.99 1wir h ALA 26 CO 0.54 -0.54 -0.56 -1.12 0.00 0.00 0.00 179.25 177.57 1wir s SER 27 N -5.12 3.75 0.04 0.00 0.01 -1.26 -4.36 113.70 106.75 1wir s SER 27 Ca -0.14 -1.51 -0.31 0.00 1.31 0.00 0.00 55.95 55.29 1wir s SER 27 Cb 0.02 0.08 -0.18 0.00 0.21 0.00 0.00 66.02 66.15 1wir s SER 27 CO 0.56 -0.67 1.41 0.00 0.41 0.00 0.00 173.24 174.95 1wir h ALA 28 N 1.64 -0.98 -0.88 1.44 0.00 -1.90 -3.16 119.26 115.42 1wir h ALA 28 Ca -0.43 -0.23 0.15 0.00 0.00 0.00 0.00 54.91 54.40 1wir h ALA 28 Cb 1.27 0.38 -0.15 0.00 0.00 0.00 0.00 17.79 19.29 1wir h ALA 28 CO 0.75 -0.98 -0.34 1.49 0.00 0.00 0.00 179.25 180.17 1wir h GLU 29 N -1.11 -0.04 -0.91 0.00 4.22 -1.97 0.45 114.58 115.21 1wir h GLU 29 Ca -0.10 0.00 0.26 0.00 0.08 0.00 0.00 59.36 59.60 1wir h GLU 29 Cb 0.77 0.01 -0.16 0.00 0.50 0.00 0.00 28.75 29.88 1wir h GLU 29 CO 0.16 -0.03 0.20 0.93 -2.18 0.00 0.00 179.01 178.09 1wir h GLU 30 N -0.04 0.13 0.27 1.92 3.07 -1.97 0.18 114.58 118.14 1wir h GLU 30 Ca 0.34 -0.01 -0.01 0.00 -0.50 0.00 0.00 59.36 59.18 1wir h GLU 30 Cb 0.60 -0.03 0.00 0.00 -0.84 0.00 0.00 28.75 28.48 1wir h GLU 30 CO -0.90 0.08 -0.13 1.15 -1.40 0.00 0.00 179.01 177.81 1wir h THR 31 N 0.13 0.72 -0.06 1.13 2.02 -0.15 -2.75 112.91 113.95 1wir h THR 31 Ca 0.59 -0.73 0.03 0.00 0.77 0.00 0.00 66.41 67.07 1wir h THR 31 Cb 1.23 1.09 -0.06 0.00 -1.74 0.00 0.00 68.15 68.67 1wir h THR 31 CO -0.74 0.14 -0.48 -0.26 0.37 0.00 0.00 175.52 174.55 1wir h PHE 32 N -0.78 -1.39 -1.01 3.16 0.04 -0.18 0.20 116.94 116.97 1wir h PHE 32 Ca -0.04 0.05 0.25 0.00 2.80 0.00 0.00 57.97 61.03 1wir h PHE 32 Cb 0.51 0.62 -0.09 0.00 2.20 0.00 0.00 35.95 39.19 1wir h PHE 32 CO 0.04 -0.53 0.65 0.77 -0.60 0.00 0.00 178.31 178.64 1wir h SER 33 N -0.59 0.45 0.03 2.17 0.02 -0.81 -0.21 113.55 114.62 1wir h SER 33 Ca 0.04 0.07 -0.00 0.00 -0.84 0.00 0.00 61.79 61.06 1wir h SER 33 Cb 0.68 -0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.21 1wir h SER 33 CO -0.38 0.12 -0.02 -0.74 -1.14 0.00 0.00 176.83 174.68 1wir h HIS 34 N 0.42 -0.04 -0.06 3.45 -0.00 -0.71 -2.64 115.15 115.58 1wir h HIS 34 Ca 0.56 -0.00 0.02 0.00 -0.00 0.00 0.00 60.37 60.95 1wir h HIS 34 Cb 1.39 0.01 -0.00 0.00 -0.00 0.00 0.00 27.41 28.81 1wir h HIS 34 CO -0.00 0.28 0.04 0.00 -0.00 0.00 0.00 177.93 178.25 1wir h LYS 36 N 0.00 0.00 0.02 0.00 1.57 -0.99 1.98 116.57 119.15 1wir h LYS 36 Ca 0.03 0.00 -0.35 0.00 -1.87 0.00 0.00 60.65 58.45 1wir h LYS 36 Cb 0.11 0.00 -0.05 0.00 0.08 0.00 0.00 32.23 32.37 1wir h LYS 36 CO -0.00 0.00 -1.97 1.28 -0.57 0.00 0.00 179.45 178.19 1wir n LEU 37 N -3.08 2.19 -0.02 2.94 4.77 0.15 -3.74 117.00 120.21 1wir n LEU 37 Ca 0.02 0.28 -0.01 0.00 -0.03 0.00 0.00 56.01 56.27 1wir n LEU 37 Cb 0.41 -0.94 -0.00 0.00 -2.33 0.00 0.00 43.42 40.55 1wir n LEU 37 CO 0.30 0.57 -0.11 -0.33 -1.33 0.00 0.00 177.39 176.50 1wir h GLU 38 N -0.66 0.00 0.00 3.23 4.39 -0.87 -3.37 114.58 117.29 1wir h GLU 38 Ca -0.51 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.19 1wir h GLU 38 Cb 1.62 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 30.27 1wir h GLU 38 CO -0.21 0.00 0.00 0.72 -1.16 0.00 0.00 179.01 178.36 1wir n HIS 39 N -3.05 0.00 -3.12 4.33 8.25 -0.14 -4.85 115.22 116.64 1wir n HIS 39 Ca -0.02 0.00 -0.22 0.00 -0.26 0.00 0.00 57.72 57.22 1wir n HIS 39 Cb 0.08 0.00 -0.04 0.00 1.12 0.00 0.00 29.99 31.15 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 -0.60 -0.86 -4.04 -0.41 -0.00 0.65 -4.80 117.38 107.32 1wir n GLN 40 Ca 0.04 0.07 -0.33 0.00 -0.00 0.00 0.00 57.00 56.78 1wir n GLN 40 Cb 0.02 -2.39 -0.15 0.00 -0.00 0.00 0.00 30.24 27.72 1wir n GLN 40 CO 0.00 0.00 0.00 0.12 0.00 0.00 0.00 177.06 177.18 1wir s PHE 41 N -2.33 3.21 0.06 2.61 2.19 0.34 -4.87 117.98 119.19 1wir s PHE 41 Ca 0.39 -2.13 -0.21 0.00 0.33 0.00 0.00 56.93 55.31 1wir s PHE 41 Cb -0.23 -1.97 -0.06 0.00 -1.31 0.00 0.00 43.02 39.45 1wir s PHE 41 CO 0.53 -0.85 0.61 -0.80 1.83 0.00 0.00 175.22 176.54 1wir s ASN 42 N 1.16 7.08 -0.05 6.13 -0.87 -1.26 -3.70 114.94 123.43 1wir s ASN 42 Ca -0.06 1.28 -0.15 0.00 -1.57 0.00 0.00 52.86 52.36 1wir s ASN 42 Cb -0.19 -2.38 -0.31 0.00 -0.02 0.00 0.00 41.25 38.35 1wir s ASN 42 CO -0.05 0.21 0.73 -0.29 -2.57 0.00 0.00 177.10 175.13 1wir h ILE 43 N 3.71 1.10 -0.73 0.60 6.09 -1.99 -3.35 117.51 122.93 1wir h ILE 43 Ca -0.48 -2.52 0.14 0.00 -1.37 0.00 0.00 64.86 60.63 1wir h ILE 43 Cb 1.21 2.87 -0.09 0.00 0.47 0.00 0.00 36.82 41.27 1wir h ILE 43 CO 0.66 0.79 0.28 -0.78 -3.07 0.00 0.00 178.15 176.03 1wir h ASP 44 N -0.05 0.24 -0.79 2.19 1.82 -2.01 -0.48 116.42 117.34 1wir h ASP 44 Ca -0.29 0.11 0.14 0.00 -0.39 0.00 0.00 57.03 56.60 1wir h ASP 44 Cb 1.97 0.09 -0.09 0.00 0.68 0.00 0.00 39.33 41.98 1wir h ASP 44 CO 0.16 0.09 0.36 -1.28 -1.61 0.00 0.00 179.24 176.97 1wir h SER 45 N 0.42 0.40 0.87 2.28 0.87 -2.00 -2.47 113.55 113.92 1wir h SER 45 Ca 0.40 0.10 -0.04 0.00 -1.23 0.00 0.00 61.79 61.02 1wir h SER 45 Cb 0.60 0.05 0.00 0.00 -0.44 0.00 0.00 62.40 62.61 1wir h SER 45 CO -0.40 0.17 -0.48 0.24 -0.53 0.00 0.00 176.83 175.82 1wir h MET 46 N 0.53 -1.21 -1.28 2.24 2.86 -1.24 0.28 114.93 117.12 1wir h MET 46 Ca 0.43 0.08 0.45 0.00 -2.06 0.00 0.00 59.70 58.60 1wir h MET 46 Cb 0.62 0.27 -0.14 0.00 0.06 0.00 0.00 31.60 32.41 1wir h MET 46 CO -0.38 -0.80 0.80 0.28 1.06 0.00 0.00 176.91 177.87 1wir h VAL 47 N -1.25 0.06 0.14 -2.22 2.07 -1.20 0.51 116.25 114.36 1wir h VAL 47 Ca -0.12 -0.02 -0.22 0.00 0.82 0.00 0.00 66.70 67.17 1wir h VAL 47 Cb 0.98 0.01 0.02 0.00 -1.52 0.00 0.00 31.29 30.78 1wir h VAL 47 CO 0.15 0.01 -1.00 0.45 0.02 0.00 0.00 177.57 177.20 1wir h HIS 48 N 0.05 0.53 0.06 1.57 3.86 -1.13 0.17 115.15 120.26 1wir h HIS 48 Ca 0.85 -0.39 0.00 0.00 -1.16 0.00 0.00 60.37 59.67 1wir h HIS 48 Cb 2.59 -0.02 -0.01 0.00 1.06 0.00 0.00 27.41 31.03 1wir h HIS 48 CO -0.01 1.39 -0.14 -0.22 0.86 0.00 0.00 177.93 179.81 1wir h LYS 49 N -0.34 -0.21 -0.82 2.45 3.11 0.37 -2.21 116.57 118.92 1wir h LYS 49 Ca -0.19 0.01 -0.01 0.00 -2.81 0.00 0.00 60.65 57.66 1wir h LYS 49 Cb 1.69 0.05 -0.00 0.00 -1.00 0.00 0.00 32.23 32.96 1wir h LYS 49 CO 0.13 -0.14 0.01 0.72 -2.81 0.00 0.00 179.45 177.36 1wir n HIS 50 N -3.20 0.94 -4.46 1.91 8.25 -0.46 -4.88 115.22 113.31 1wir n HIS 50 Ca -0.02 -0.34 -0.41 0.00 -0.26 0.00 0.00 57.72 56.68 1wir n HIS 50 Cb 0.11 -0.29 -0.08 0.00 1.12 0.00 0.00 29.99 30.85 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 0.26 -0.38 3.15 -1.41 0.00 -0.79 -4.80 105.19 101.22 1wir n GLY 51 Ca 0.13 0.07 -0.36 0.00 0.00 0.00 0.00 46.02 45.86 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 -3.98 -4.08 -4.54 0.99 4.77 0.54 -4.96 117.00 105.74 1wir n LEU 52 Ca 0.10 0.31 -0.27 0.00 -0.03 0.00 0.00 56.01 56.12 1wir n LEU 52 Cb 0.45 -0.89 -0.08 0.00 -2.33 0.00 0.00 43.42 40.57 1wir n LEU 52 CO 0.94 -5.19 -0.20 -1.61 -1.33 0.00 0.00 177.39 170.00 1wir s GLU 53 N -2.22 1.97 0.17 3.23 0.41 -1.26 -4.79 118.70 116.22 1wir s GLU 53 Ca 0.48 -2.21 -0.11 0.00 -0.41 0.00 0.00 54.97 52.71 1wir s GLU 53 Cb -0.24 -0.69 0.21 0.00 -1.78 0.00 0.00 34.13 31.62 1wir s GLU 53 CO 0.76 -0.48 1.11 0.34 -0.49 0.00 0.00 175.26 176.50 1wir n PHE 54 N -0.96 0.08 -0.03 1.61 7.35 -1.26 -0.30 117.46 123.95 1wir n PHE 54 Ca -0.07 0.88 -0.19 0.00 -0.76 0.00 0.00 57.45 57.30 1wir n PHE 54 Cb 0.65 -0.80 -0.13 0.00 0.35 0.00 0.00 39.48 39.55 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 0.23 -0.81 -5.13 0.05 -2.01 -3.34 116.97 105.96 1wir h TYR 55 Ca 0.27 -0.17 0.13 0.00 0.05 0.00 0.00 58.73 59.01 1wir h TYR 55 Cb 0.45 -0.01 -0.14 0.00 1.01 0.00 0.00 36.73 38.04 1wir h TYR 55 CO -0.61 1.33 -0.38 0.78 -1.05 0.00 0.00 178.16 178.23 1wir h GLY 56 N -0.57 -0.07 0.28 3.88 0.00 -1.38 0.17 103.07 105.38 1wir h GLY 56 Ca -0.19 0.50 0.10 0.00 0.00 0.00 0.00 47.33 47.74 1wir h GLY 56 CO -0.00 -0.19 0.17 -1.82 0.00 0.00 0.00 176.54 174.69 1wir h TYR 57 N -0.08 0.28 -0.61 5.60 3.20 -0.83 -1.58 116.97 122.95 1wir h TYR 57 Ca 0.28 0.03 0.13 0.00 3.14 0.00 0.00 58.73 62.31 1wir h TYR 57 Cb 0.57 -0.03 -0.11 0.00 1.54 0.00 0.00 36.73 38.70 1wir h TYR 57 CO -0.78 0.02 -0.02 0.82 -1.64 0.00 0.00 178.16 176.57 1wir h ILE 58 N 0.31 0.48 -0.63 1.81 2.04 -0.79 -0.20 117.51 120.53 1wir h ILE 58 Ca 0.31 -0.03 0.04 0.00 1.00 0.00 0.00 64.86 66.17 1wir h ILE 58 Cb 0.43 0.37 -0.05 0.00 -0.74 0.00 0.00 36.82 36.83 1wir h ILE 58 CO -0.36 0.02 0.37 0.11 0.00 0.00 0.00 178.15 178.29 1wir h LYS 59 N 0.10 0.70 -0.64 2.37 1.57 -0.86 -2.21 116.57 117.60 1wir h LYS 59 Ca 0.32 -0.04 0.13 0.00 -1.87 0.00 0.00 60.65 59.19 1wir h LYS 59 Cb 0.51 -0.16 -0.10 0.00 0.08 0.00 0.00 32.23 32.57 1wir h LYS 59 CO -0.54 0.46 0.08 1.25 -0.57 0.00 0.00 179.45 180.13 1wir h LEU 60 N 0.72 -0.12 0.30 2.94 7.12 -0.69 0.78 115.31 126.35 1wir h LEU 60 Ca 0.27 0.14 -0.01 0.00 0.13 0.00 0.00 57.88 58.40 1wir h LEU 60 Cb 0.09 0.22 0.00 0.00 -0.53 0.00 0.00 40.66 40.44 1wir h LEU 60 CO -0.13 -0.06 -0.14 0.40 -0.13 0.00 0.00 178.44 178.37 1wir h ILE 61 N 0.19 0.00 -0.60 4.05 1.08 -1.08 -2.81 117.51 118.34 1wir h ILE 61 Ca 0.34 -0.09 0.18 0.00 -0.39 0.00 0.00 64.86 64.90 1wir h ILE 61 Cb 0.55 0.00 -0.02 0.00 -3.07 0.00 0.00 36.82 34.28 1wir h ILE 61 CO -0.49 0.00 0.55 0.78 -0.69 0.00 0.00 178.15 178.30 1wir h ASN 62 N -0.49 0.00 0.77 1.72 2.35 -1.24 -2.00 115.58 116.69 1wir h ASN 62 Ca -0.04 0.00 -0.04 0.00 -0.55 0.00 0.00 56.30 55.67 1wir h ASN 62 Cb 0.31 0.00 0.01 0.00 0.05 0.00 0.00 38.32 38.68 1wir h ASN 62 CO 0.07 0.00 -0.37 0.15 -1.65 0.00 0.00 177.43 175.63 1wir h PHE 63 N 0.00 -0.96 0.00 1.19 3.57 0.71 -1.26 116.94 120.19 1wir h PHE 63 Ca 0.29 -0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.76 1wir h PHE 63 Cb 1.38 0.32 0.00 0.00 2.79 0.00 0.00 35.95 40.44 1wir h PHE 63 CO 0.00 -0.60 0.07 0.82 -2.23 0.00 0.00 178.31 176.38 1wir h ILE 64 N -1.09 0.00 0.22 1.41 2.04 -1.11 0.25 117.51 119.22 1wir h ILE 64 Ca -0.11 0.00 -0.32 0.00 1.00 0.00 0.00 64.86 65.43 1wir h ILE 64 Cb 0.79 0.72 0.03 0.00 -0.74 0.00 0.00 36.82 37.63 1wir h ILE 64 CO 0.17 0.00 -1.41 0.03 0.00 0.00 0.00 178.15 176.94 1wir h ARG 65 N 0.00 0.53 0.11 2.37 2.47 -1.08 0.43 114.38 119.22 1wir h ARG 65 Ca 0.00 -0.86 -0.24 0.00 -1.26 0.00 0.00 59.98 57.62 1wir h ARG 65 Cb 0.15 0.31 0.00 0.00 -1.65 0.00 0.00 29.97 28.78 1wir h ARG 65 CO 0.00 1.41 -1.19 1.25 0.56 0.00 0.00 179.97 182.00 1wir h LEU 66 N 0.17 0.37 0.00 3.04 6.46 0.04 -3.40 115.31 121.99 1wir h LEU 66 Ca -0.23 -0.87 -0.05 0.00 -0.12 0.00 0.00 57.88 56.61 1wir h LEU 66 Cb 2.10 -0.12 -0.01 0.00 -0.73 0.00 0.00 40.66 41.90 1wir h LEU 66 CO 0.26 1.53 -0.34 0.11 -0.62 0.00 0.00 178.44 179.38 1wir h LYS 67 N -0.39 0.00 -5.14 1.25 1.79 -0.74 -3.49 116.57 109.84 1wir h LYS 67 Ca -0.25 0.00 -0.26 0.00 -2.18 0.00 0.00 60.65 57.96 1wir h LYS 67 Cb 1.68 0.00 0.16 0.00 -1.58 0.00 0.00 32.23 32.48 1wir h LYS 67 CO 0.07 0.62 -0.69 0.09 -1.08 0.00 0.00 179.45 178.46 1wir n ASN 68 N -4.61 -3.42 -3.12 0.86 4.13 0.14 -5.02 115.26 104.22 1wir n ASN 68 Ca -0.12 -0.56 0.00 0.00 1.68 0.00 0.00 54.58 55.58 1wir n ASN 68 Cb 0.38 -4.53 0.00 0.00 -1.54 0.00 0.00 39.78 34.08 1wir n ASN 68 CO 0.00 0.00 0.00 -0.81 0.28 0.00 0.00 177.26 176.73 1wir n PRO 69 N -3.46 0.21 -4.76 3.52 -0.04 -1.26 -5.04 135.00 124.17 1wir n PRO 69 Ca -0.19 0.00 -0.33 0.00 -0.04 0.00 0.00 63.50 62.94 1wir n PRO 69 Cb 0.63 0.00 -0.12 0.00 -0.04 0.00 0.00 33.50 33.97 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 -0.39 3.36 0.17 0.52 -1.32 -1.26 -4.93 115.64 111.78 1wir s THR 70 Ca 0.00 -0.61 -0.17 0.00 -1.21 0.00 0.00 61.69 59.70 1wir s THR 70 Cb 0.00 -2.35 0.12 0.00 -1.51 0.00 0.00 72.50 68.77 1wir s THR 70 CO 0.00 0.59 1.24 0.52 -2.21 0.00 0.00 174.62 174.76 1wir n VAL 71 N 2.35 -0.46 -0.31 5.08 0.31 -1.26 0.18 118.33 124.23 1wir n VAL 71 Ca -0.18 1.89 0.12 0.00 -0.01 0.00 0.00 64.34 66.17 1wir n VAL 71 Cb 0.53 -2.45 0.30 0.00 -0.91 0.00 0.00 33.84 31.30 1wir n VAL 71 CO 0.00 0.00 0.00 -0.33 -1.32 0.00 0.00 176.83 175.18 1wir h GLU 72 N 0.00 0.45 0.43 5.55 4.39 -1.95 -1.74 114.58 121.70 1wir h GLU 72 Ca 0.24 -0.03 -0.02 0.00 0.34 0.00 0.00 59.36 59.89 1wir h GLU 72 Cb 0.44 -0.10 0.00 0.00 -0.10 0.00 0.00 28.75 28.99 1wir h GLU 72 CO -0.78 0.30 -0.21 -0.92 -1.16 0.00 0.00 179.01 176.24 1wir h TYR 73 N 0.46 -0.54 -0.91 4.33 3.20 0.15 -2.83 116.97 120.84 1wir h TYR 73 Ca 0.55 -0.01 0.19 0.00 3.14 0.00 0.00 58.73 62.60 1wir h TYR 73 Cb 0.99 0.18 -0.17 0.00 1.54 0.00 0.00 36.73 39.27 1wir h TYR 73 CO -0.12 -0.21 -0.18 0.52 -1.64 0.00 0.00 178.16 176.52 1wir h MET 74 N -0.87 0.01 -0.26 1.82 2.86 -0.35 1.29 114.93 119.43 1wir h MET 74 Ca -0.06 -0.00 -0.01 0.00 -2.06 0.00 0.00 59.70 57.57 1wir h MET 74 Cb 0.56 -0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.21 1wir h MET 74 CO 0.10 0.00 0.12 -0.91 1.06 0.00 0.00 176.91 177.28 1wir h ASN 75 N 0.01 0.31 -3.02 1.22 2.35 -1.37 -3.27 115.58 111.81 1wir h ASN 75 Ca 0.46 -0.02 -0.79 0.00 -0.55 0.00 0.00 56.30 55.40 1wir h ASN 75 Cb 0.74 -0.08 -0.25 0.00 0.05 0.00 0.00 38.32 38.78 1wir h ASN 75 CO -0.92 0.27 0.80 -0.24 -1.65 0.00 0.00 177.43 175.69 1wir n SER 76 N -4.45 5.63 -3.90 5.81 2.88 0.44 -4.97 113.62 115.07 1wir n SER 76 Ca 0.01 -3.11 -0.10 0.00 -1.33 0.00 0.00 58.87 54.34 1wir n SER 76 Cb 0.11 -1.40 -0.09 0.00 -0.75 0.00 0.00 64.21 62.08 1wir n SER 76 CO 0.00 0.00 0.00 -0.63 -1.23 0.00 0.00 175.04 173.18 1wir s ILE 77 N -0.98 0.12 0.24 2.46 1.01 -1.24 -4.87 121.20 117.93 1wir s ILE 77 Ca 0.34 -0.95 0.04 0.00 0.00 0.00 0.00 60.65 60.08 1wir s ILE 77 Cb -0.04 -0.76 -0.02 0.00 0.01 0.00 0.00 42.46 41.65 1wir s ILE 77 CO -0.02 -0.52 0.22 0.00 0.00 0.00 0.00 174.94 174.62 1wir n TYR 78 N 0.95 -0.65 -3.76 3.97 0.18 -1.26 -5.08 117.16 111.50 1wir n TYR 78 Ca -0.20 -1.93 -0.35 0.00 1.88 0.00 0.00 57.90 57.30 1wir n TYR 78 Cb 0.58 0.23 -0.05 0.00 -0.38 0.00 0.00 39.34 39.72 1wir n TYR 78 CO 0.00 0.00 0.00 -0.80 -2.08 0.00 0.00 176.86 173.98 1wir s ASN 79 N -2.62 6.50 0.09 9.48 0.01 -1.26 -2.08 114.94 125.06 1wir s ASN 79 Ca 0.27 0.57 -0.31 0.00 -0.71 0.00 0.00 52.86 52.68 1wir s ASN 79 Cb 0.01 -2.09 -0.07 0.00 0.41 0.00 0.00 41.25 39.50 1wir s ASN 79 CO 0.19 0.28 1.38 -2.16 -1.51 0.00 0.00 177.10 175.28 1wir s PRO 80 N -1.63 4.32 0.68 -0.60 0.04 -1.26 -5.12 135.00 131.43 1wir s PRO 80 Ca 0.26 2.04 -0.17 0.00 0.04 0.00 0.00 61.00 63.16 1wir s PRO 80 Cb -0.13 -3.32 0.01 0.00 0.04 0.00 0.00 34.50 31.10 1wir s PRO 80 CO 0.14 -0.45 1.27 0.14 0.04 0.00 0.00 177.00 178.14 1wir s VAL 81 N 1.35 2.09 -2.00 -0.36 -7.23 -0.88 -4.86 120.40 108.50 1wir s VAL 81 Ca 0.64 0.05 0.14 0.00 -1.81 0.00 0.00 61.98 61.00 1wir s VAL 81 Cb -0.35 -2.89 0.40 0.00 0.56 0.00 0.00 36.38 34.11 1wir s VAL 81 CO 0.30 -0.02 1.27 -0.81 -0.31 0.00 0.00 175.10 175.53 1wir n PRO 82 N -2.21 0.49 -0.33 4.82 -0.04 -1.26 -2.11 135.00 134.36 1wir n PRO 82 Ca 0.15 0.00 0.08 0.00 -0.04 0.00 0.00 63.50 63.69 1wir n PRO 82 Cb 0.49 -1.46 0.15 0.00 -0.04 0.00 0.00 33.50 32.64 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 -0.96 0.00 0.26 0.54 2.14 -1.26 -4.67 117.44 113.49 1wir n TRP 83 Ca 0.11 -1.10 0.06 0.00 2.07 0.00 0.00 57.50 58.63 1wir n TRP 83 Cb 0.05 -0.18 0.22 0.00 -0.81 0.00 0.00 31.31 30.59 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 -1.18 2.61 -2.16 -2.67 -0.58 -0.90 -4.66 120.64 111.10 1wir n GLU 84 Ca 0.16 -1.75 -0.28 0.00 -0.42 0.00 0.00 57.16 54.87 1wir n GLU 84 Cb 0.68 -1.61 0.04 0.00 -0.57 0.00 0.00 31.44 29.98 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 -1.68 2.82 -0.03 3.49 3.01 -1.26 -5.02 119.74 121.07 1wir s LYS 85 Ca 0.31 0.18 -0.09 0.00 -1.01 0.00 0.00 55.97 55.36 1wir s LYS 85 Cb 0.20 -2.15 -0.30 0.00 -1.01 0.00 0.00 37.83 34.56 1wir s LYS 85 CO 0.16 -0.90 0.75 -0.44 0.51 0.00 0.00 175.35 175.42 1wir h ASP 86 N -0.43 0.57 -1.00 2.83 3.32 -2.01 -3.34 116.42 116.35 1wir h ASP 86 Ca -0.45 -0.82 0.20 0.00 0.02 0.00 0.00 57.03 55.98 1wir h ASP 86 Cb 1.26 -0.19 -0.11 0.00 0.22 0.00 0.00 39.33 40.52 1wir h ASP 86 CO 0.62 1.68 0.61 -0.33 -1.72 0.00 0.00 179.24 180.10 1wir h GLU 87 N 0.10 0.71 -0.76 3.56 4.39 -1.97 0.36 114.58 120.97 1wir h GLU 87 Ca -0.31 -0.04 0.07 0.00 0.34 0.00 0.00 59.36 59.42 1wir h GLU 87 Cb 2.08 -0.16 -0.06 0.00 -0.10 0.00 0.00 28.75 30.51 1wir h GLU 87 CO 0.18 0.47 0.44 1.88 -1.16 0.00 0.00 179.01 180.82 1wir h TYR 88 N 0.73 0.80 -1.17 4.33 0.05 -1.94 -1.99 116.97 117.78 1wir h TYR 88 Ca 0.59 0.03 0.40 0.00 0.05 0.00 0.00 58.73 59.80 1wir h TYR 88 Cb 0.95 -0.25 -0.11 0.00 1.01 0.00 0.00 36.73 38.33 1wir h TYR 88 CO -0.01 0.36 0.76 1.28 -1.05 0.00 0.00 178.16 179.51 1wir n LEU 89 N -4.74 0.16 -4.77 3.88 4.77 0.12 -4.27 117.00 112.15 1wir n LEU 89 Ca 0.11 1.13 -0.39 0.00 -0.03 0.00 0.00 56.01 56.83 1wir n LEU 89 Cb 0.21 -0.55 -0.04 0.00 -2.33 0.00 0.00 43.42 40.71 1wir n LEU 89 CO 0.28 -1.22 0.78 -0.54 -1.33 0.00 0.00 177.39 175.36 1wir s LYS 90 N -4.93 4.44 -0.39 3.23 3.01 -0.75 -4.87 119.74 119.47 1wir s LYS 90 Ca -0.06 1.71 -0.28 0.00 -1.01 0.00 0.00 55.97 56.33 1wir s LYS 90 Cb 0.25 -2.93 -0.01 0.00 -1.01 0.00 0.00 37.83 34.13 1wir s LYS 90 CO 0.68 0.05 1.73 -1.25 0.51 0.00 0.00 175.35 177.08 1wir s PRO 91 N -1.86 3.27 0.50 -1.68 0.04 -1.26 -4.86 135.00 129.14 1wir s PRO 91 Ca 0.50 1.20 0.26 0.00 0.04 0.00 0.00 61.00 62.99 1wir s PRO 91 Cb -0.29 -4.19 1.33 0.00 0.04 0.00 0.00 34.50 31.39 1wir s PRO 91 CO 0.36 -1.94 1.90 0.28 0.04 0.00 0.00 177.00 177.65 1wir h VAL 92 N 6.75 0.64 -4.58 -0.36 2.07 -1.86 -3.42 116.25 115.48 1wir h VAL 92 Ca -0.31 -0.05 -0.30 0.00 0.82 0.00 0.00 66.70 66.86 1wir h VAL 92 Cb 1.15 0.49 -0.05 0.00 -1.52 0.00 0.00 31.29 31.37 1wir h VAL 92 CO 1.07 0.02 -0.21 0.18 0.02 0.00 0.00 177.57 178.66 1wir n LEU 93 N -4.37 0.00 -4.55 2.57 4.32 -1.26 -5.08 117.00 108.63 1wir n LEU 93 Ca 0.17 -1.47 -0.34 0.00 -0.02 0.00 0.00 56.01 54.35 1wir n LEU 93 Cb 0.79 0.13 -0.12 0.00 -1.62 0.00 0.00 43.42 42.60 1wir n LEU 93 CO 0.36 -0.26 -0.39 -0.70 -1.22 0.00 0.00 177.39 175.18 1wir s GLU 94 N -2.91 2.81 -1.12 3.23 2.12 -1.26 -4.62 118.70 116.95 1wir s GLU 94 Ca 0.03 -0.58 -0.01 0.00 0.36 0.00 0.00 54.97 54.77 1wir s GLU 94 Cb -0.00 -2.58 0.00 0.00 0.26 0.00 0.00 34.13 31.81 1wir s GLU 94 CO 0.02 0.60 0.94 -3.47 -0.54 0.00 0.00 175.26 172.81 1wir n ASP 95 N 2.40 -2.57 -4.66 -1.70 2.03 -1.26 -4.92 116.55 105.87 1wir n ASP 95 Ca -0.18 -0.56 -0.43 0.00 0.52 0.00 0.00 54.79 54.15 1wir n ASP 95 Cb 0.53 -4.72 -0.02 0.00 -0.72 0.00 0.00 41.12 36.18 1wir n ASP 95 CO 0.00 0.00 0.00 -1.81 -1.92 0.00 0.00 177.20 173.47 1wir s ASP 96 N -4.12 6.85 0.20 1.67 1.11 -1.26 -4.88 116.67 116.25 1wir s ASP 96 Ca 0.07 1.89 0.15 0.00 0.18 0.00 0.00 52.55 54.84 1wir s ASP 96 Cb -0.03 -2.54 -0.01 0.00 1.07 0.00 0.00 42.92 41.41 1wir s ASP 96 CO 0.67 -0.81 1.25 -0.07 1.18 0.00 0.00 175.17 177.39 1wir h LEU 97 N 9.81 0.00 -1.18 1.23 3.38 -1.91 -3.27 115.31 123.37 1wir h LEU 97 Ca -0.31 0.00 -0.08 0.00 0.09 0.00 0.00 57.88 57.58 1wir h LEU 97 Cb 1.13 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.87 1wir h LEU 97 CO 0.96 0.56 -0.38 -0.07 0.09 0.00 0.00 178.44 179.60 1wir h LEU 98 N 0.00 0.00 -0.08 1.67 3.38 -1.96 -1.98 115.31 116.34 1wir h LEU 98 Ca -0.05 0.00 -0.25 0.00 0.09 0.00 0.00 57.88 57.67 1wir h LEU 98 Cb 1.47 0.00 0.02 0.00 0.09 0.00 0.00 40.66 42.24 1wir h LEU 98 CO 0.06 0.38 -0.93 -0.07 0.09 0.00 0.00 178.44 177.97 1wir h LEU 99 N 0.00 0.91 -0.03 1.67 4.07 -1.96 -3.10 115.31 116.88 1wir h LEU 99 Ca -0.00 -0.67 0.00 0.00 0.08 0.00 0.00 57.88 57.28 1wir h LEU 99 Cb 0.75 -0.28 0.00 0.00 1.08 0.00 0.00 40.66 42.21 1wir h LEU 99 CO 0.05 1.47 0.00 0.00 -1.08 0.00 0.00 178.44 178.88 1wir n GLN 100 N -3.88 0.05 -1.67 1.13 10.64 -1.14 -4.82 117.38 117.68 1wir n GLN 100 Ca -0.09 0.09 -0.45 0.00 -1.83 0.00 0.00 57.00 54.71 1wir n GLN 100 Cb 0.83 -1.56 -0.04 0.00 -0.86 0.00 0.00 30.24 28.60 1wir n GLN 100 CO 0.00 0.00 0.00 0.34 -1.83 0.00 0.00 177.06 175.57 1wir n PHE 101 N -1.65 2.42 -1.55 2.61 -0.00 -0.76 -4.81 117.46 113.73 1wir n PHE 101 Ca 0.06 -0.17 -0.25 0.00 -0.00 0.00 0.00 57.45 57.10 1wir n PHE 101 Cb 0.32 -2.73 -0.07 0.00 -0.00 0.00 0.00 39.48 37.00 1wir n PHE 101 CO 0.00 0.00 0.00 -0.25 -0.00 0.00 0.00 176.76 176.51 1wir n ASP 102 N 6.92 1.63 0.13 -2.13 9.92 -1.26 -4.73 116.55 127.03 1wir n ASP 102 Ca 0.21 -0.92 0.13 0.00 -0.53 0.00 0.00 54.79 53.68 1wir n ASP 102 Cb 0.35 -1.49 0.37 0.00 -0.64 0.00 0.00 41.12 39.71 1wir n ASP 102 CO 0.00 0.00 0.00 1.62 0.13 0.00 0.00 177.20 178.95 1wir h VAL 103 N 7.67 0.00 -0.58 2.53 3.04 -1.92 -3.24 116.25 123.75 1wir h VAL 103 Ca -0.09 -0.55 -0.04 0.00 -1.01 0.00 0.00 66.70 65.01 1wir h VAL 103 Cb 1.14 1.54 -0.03 0.00 -2.01 0.00 0.00 31.29 31.93 1wir h VAL 103 CO 1.14 0.00 0.21 -0.33 -1.01 0.00 0.00 177.57 177.59 1wir h GLU 104 N 0.00 0.84 -1.08 4.17 5.08 -1.95 -2.51 114.58 119.12 1wir h GLU 104 Ca 0.00 -0.14 0.30 0.00 -1.00 0.00 0.00 59.36 58.52 1wir h GLU 104 Cb 0.76 -0.15 -0.11 0.00 0.50 0.00 0.00 28.75 29.76 1wir h GLU 104 CO 0.00 0.70 0.69 0.38 -1.00 0.00 0.00 179.01 179.78 1wir h ASP 105 N 0.83 0.43 -0.62 1.42 2.03 -1.96 0.57 116.42 119.12 1wir h ASP 105 Ca 0.19 0.10 0.02 0.00 -0.73 0.00 0.00 57.03 56.61 1wir h ASP 105 Cb 0.19 0.04 -0.03 0.00 -0.83 0.00 0.00 39.33 38.70 1wir h ASP 105 CO -0.02 0.02 0.41 -0.07 -1.03 0.00 0.00 179.24 178.56 1wir h LEU 106 N 0.35 0.68 0.00 0.15 3.38 -1.68 -3.43 115.31 114.76 1wir h LEU 106 Ca 0.65 -0.01 -0.26 0.00 0.09 0.00 0.00 57.88 58.34 1wir h LEU 106 Cb 1.69 -0.17 0.08 0.00 0.09 0.00 0.00 40.66 42.35 1wir h LEU 106 CO -0.35 0.49 0.17 -1.22 0.09 0.00 0.00 178.44 177.62 1wir n TYR 107 N -4.45 -3.64 -3.70 1.13 4.01 0.20 -5.11 117.16 105.60 1wir n TYR 107 Ca 0.07 -0.84 -0.17 0.00 -0.16 0.00 0.00 57.90 56.80 1wir n TYR 107 Cb 0.07 -0.53 -0.16 0.00 -0.31 0.00 0.00 39.34 38.41 1wir n TYR 107 CO 0.00 0.00 0.00 -1.21 -0.46 0.00 0.00 176.86 175.19 1wir s GLU 108 N -4.42 -0.01 -1.03 -0.72 0.41 -1.26 -5.02 118.70 106.65 1wir s GLU 108 Ca 0.42 0.39 -0.24 0.00 -0.41 0.00 0.00 54.97 55.13 1wir s GLU 108 Cb -0.02 -0.33 -0.07 0.00 -1.78 0.00 0.00 34.13 31.94 1wir s GLU 108 CO 0.29 -0.26 1.94 -1.25 -0.49 0.00 0.00 175.26 175.49 1wir s PRO 109 N 1.79 2.53 -0.14 0.39 0.04 -1.26 -4.88 135.00 133.47 1wir s PRO 109 Ca -0.01 -0.68 -0.13 0.00 0.04 0.00 0.00 61.00 60.22 1wir s PRO 109 Cb -0.12 -5.14 0.04 0.00 0.04 0.00 0.00 34.50 29.31 1wir s PRO 109 CO -0.04 -3.65 0.38 0.54 0.04 0.00 0.00 177.00 174.27 1wir s VAL 110 N 10.51 -0.00 -0.95 -0.36 0.11 -1.26 -4.91 120.40 123.53 1wir s VAL 110 Ca 0.69 0.01 -0.05 0.00 -2.93 0.00 0.00 61.98 59.70 1wir s VAL 110 Cb -0.04 -0.53 0.01 0.00 -1.53 0.00 0.00 36.38 34.28 1wir s VAL 110 CO 0.05 0.00 0.82 -0.24 -3.33 0.00 0.00 175.10 172.41 1wir n SER 111 N 3.01 -4.37 -4.36 3.54 2.88 -1.26 -4.81 113.62 108.24 1wir n SER 111 Ca -0.14 -0.40 -0.52 0.00 -1.33 0.00 0.00 58.87 56.47 1wir n SER 111 Cb 0.57 -3.77 -0.12 0.00 -0.75 0.00 0.00 64.21 60.14 1wir n SER 111 CO 0.00 0.00 0.00 0.35 -1.23 0.00 0.00 175.04 174.16 1wir n THR 112 N -4.04 0.03 -0.07 2.46 -2.24 -1.26 -4.80 114.28 104.36 1wir n THR 112 Ca -0.05 -0.08 -0.11 0.00 -2.27 0.00 0.00 64.05 61.55 1wir n THR 112 Cb 0.56 -0.79 0.03 0.00 -2.10 0.00 0.00 70.33 68.03 1wir n THR 112 CO 0.00 0.00 0.00 1.55 -0.57 0.00 0.00 175.07 176.05 1wir h PRO 113 N 10.83 0.79 -6.20 -0.78 0.13 -2.03 -3.46 132.00 131.27 1wir h PRO 113 Ca -0.12 -0.42 -0.41 0.00 -0.87 0.00 0.00 66.00 64.18 1wir h PRO 113 Cb 1.37 0.01 -0.17 0.00 0.13 0.00 0.00 31.00 32.34 1wir h PRO 113 CO 1.16 1.05 -0.63 1.19 -0.23 0.00 0.00 178.00 180.54 1wir n PHE 114 N -4.04 -0.81 -5.11 1.56 3.01 -1.26 -4.88 117.46 105.93 1wir n PHE 114 Ca -0.02 0.42 -0.32 0.00 1.01 0.00 0.00 57.45 58.54 1wir n PHE 114 Cb 0.54 -1.66 -0.17 0.00 -0.01 0.00 0.00 39.48 38.18 1wir n PHE 114 CO 0.00 0.00 0.00 0.45 1.01 0.00 0.00 176.76 178.22 1wir s SER 115 N -3.49 3.09 -0.30 4.37 0.15 -1.26 -5.10 113.70 111.16 1wir s SER 115 Ca 0.17 -0.57 -0.09 0.00 0.70 0.00 0.00 55.95 56.16 1wir s SER 115 Cb -0.10 -1.41 0.16 0.00 -1.71 0.00 0.00 66.02 62.95 1wir s SER 115 CO 0.67 0.14 0.76 -0.94 1.20 0.00 0.00 173.24 175.07 1wir s SER 116 N 0.43 -1.00 0.00 5.45 1.04 -1.26 -5.08 113.70 113.28 1wir s SER 116 Ca -0.17 1.12 0.00 0.00 0.48 0.00 0.00 55.95 57.39 1wir s SER 116 Cb -0.18 2.04 0.00 0.00 0.10 0.00 0.00 66.02 67.99 1wir s SER 116 CO 0.07 -0.19 0.00 0.61 0.98 0.00 0.00 173.24 174.71 1wir n GLY 117 N 5.33 -1.84 3.58 7.32 0.00 -1.26 -5.12 105.19 113.21 1wir n GLY 117 Ca -0.08 0.91 -0.41 0.00 0.00 0.00 0.00 46.02 46.44 1wir n GLY 117 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1wir s PRO 118 N 0.00 3.05 -1.13 1.61 0.04 -1.26 -4.93 135.00 132.39 1wir s PRO 118 Ca 0.00 1.00 -0.14 0.00 0.04 0.00 0.00 61.00 61.90 1wir s PRO 118 Cb 0.00 -4.26 0.17 0.00 0.04 0.00 0.00 34.50 30.46 1wir s PRO 118 CO 0.00 -2.20 1.31 0.45 0.04 0.00 0.00 177.00 176.60 1wir s SER 119 N 6.69 6.99 -0.22 6.66 0.15 -1.26 -4.95 113.70 127.76 1wir s SER 119 Ca 0.72 -2.84 0.01 0.00 0.70 0.00 0.00 55.95 54.54 1wir s SER 119 Cb -0.17 -2.38 0.05 0.00 -1.71 0.00 0.00 66.02 61.82 1wir s SER 119 CO 0.28 -0.77 -0.07 -0.94 1.20 0.00 0.00 173.24 172.94 1wir s SER 120 N 2.84 3.62 0.00 5.45 1.04 -1.26 -5.37 113.70 120.02 1wir s SER 120 Ca 0.39 -1.04 0.00 0.00 0.48 0.00 0.00 55.95 55.78 1wir s SER 120 Cb -0.04 -1.18 0.00 0.00 0.10 0.00 0.00 66.02 64.90 1wir s SER 120 CO -0.03 -0.20 0.00 0.61 0.98 0.00 0.00 173.24 174.60