#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 1.99 0.24 1.61 0.01 -1.26 -5.17 113.70 111.12 1wir s SER 2 Ca 0.00 -1.06 0.08 0.00 1.31 0.00 0.00 55.95 56.28 1wir s SER 2 Cb 0.00 -0.04 -0.05 0.00 0.21 0.00 0.00 66.02 66.14 1wir s SER 2 CO 0.00 -0.34 -0.13 -0.44 0.41 0.00 0.00 173.24 172.74 1wir s SER 3 N -3.24 2.81 0.00 2.44 0.01 -1.26 -5.14 113.70 109.33 1wir s SER 3 Ca 0.21 -1.06 0.00 0.00 1.31 0.00 0.00 55.95 56.40 1wir s SER 3 Cb 0.03 -0.18 0.00 0.00 0.21 0.00 0.00 66.02 66.08 1wir s SER 3 CO 0.04 -0.17 0.00 0.61 0.41 0.00 0.00 173.24 174.13 1wir n GLY 4 N -0.47 3.45 3.61 3.44 0.00 -1.26 -5.10 105.19 108.85 1wir n GLY 4 Ca -0.07 -0.06 -0.43 0.00 0.00 0.00 0.00 46.02 45.47 1wir n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1wir s SER 5 N 0.00 5.91 -0.03 1.61 0.15 -1.26 -4.95 113.70 115.14 1wir s SER 5 Ca 0.00 1.53 -0.30 0.00 0.70 0.00 0.00 55.95 57.88 1wir s SER 5 Cb 0.00 -2.52 -0.04 0.00 -1.71 0.00 0.00 66.02 61.75 1wir s SER 5 CO 0.00 -1.66 1.24 -0.55 1.20 0.00 0.00 173.24 173.48 1wir s SER 6 N 6.15 7.01 0.00 5.45 0.15 -1.26 -4.96 113.70 126.24 1wir s SER 6 Ca 0.83 1.91 0.00 0.00 0.70 0.00 0.00 55.95 59.39 1wir s SER 6 Cb -0.26 -2.56 0.00 0.00 -1.71 0.00 0.00 66.02 61.49 1wir s SER 6 CO 0.34 -0.60 0.00 0.61 1.20 0.00 0.00 173.24 174.79 1wir n GLY 7 N 3.40 -0.04 3.66 9.45 0.00 -1.26 -4.96 105.19 115.44 1wir n GLY 7 Ca 0.11 0.00 -0.55 0.00 0.00 0.00 0.00 46.02 45.58 1wir n GLY 7 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1wir n GLU 8 N -0.10 1.28 0.00 1.61 1.02 -1.26 -4.78 120.64 118.41 1wir n GLU 8 Ca 0.00 0.46 0.01 0.00 -0.02 0.00 0.00 57.16 57.60 1wir n GLU 8 Cb 0.00 -2.23 0.04 0.00 -0.02 0.00 0.00 31.44 29.23 1wir n GLU 8 CO 0.00 0.00 0.00 -0.35 1.18 0.00 0.00 177.13 177.96 1wir n PRO 9 N 6.06 0.49 -2.48 3.49 -0.04 -1.26 -4.77 135.00 136.49 1wir n PRO 9 Ca 0.29 0.00 -0.07 0.00 -0.04 0.00 0.00 63.50 63.67 1wir n PRO 9 Cb 0.17 -1.04 0.01 0.00 -0.04 0.00 0.00 33.50 32.59 1wir n PRO 9 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1wir n ALA 10 N -0.54 -0.31 -2.77 0.55 0.00 -1.26 -5.04 120.51 111.13 1wir n ALA 10 Ca 0.01 0.09 -0.30 0.00 0.00 0.00 0.00 53.44 53.24 1wir n ALA 10 Cb 0.00 -1.59 -0.06 0.00 0.00 0.00 0.00 19.45 17.80 1wir n ALA 10 CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 177.50 176.49 1wir s HIS 11 N -2.71 3.18 0.00 0.00 3.76 -1.26 -5.05 115.29 113.21 1wir s HIS 11 Ca 0.09 0.06 0.00 0.00 -0.15 0.00 0.00 55.06 55.07 1wir s HIS 11 Cb -0.04 -1.61 0.00 0.00 1.11 0.00 0.00 32.58 32.04 1wir s HIS 11 CO 0.11 0.52 0.00 0.41 -0.85 0.00 0.00 174.74 174.93 1wir n GLY 12 N 0.37 2.72 2.40 -2.22 0.00 -1.26 -4.93 105.19 102.27 1wir n GLY 12 Ca -0.09 -2.09 -0.15 0.00 0.00 0.00 0.00 46.02 43.70 1wir n GLY 12 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 1wir n ARG 13 N -0.81 2.75 -3.73 1.61 0.00 -1.26 -5.02 116.66 110.19 1wir n ARG 13 Ca 0.00 -3.90 -0.38 0.00 -0.00 0.00 0.00 57.85 53.57 1wir n ARG 13 Cb 0.00 -1.96 -0.12 0.00 -0.00 0.00 0.00 32.46 30.37 1wir n ARG 13 CO 0.00 0.00 0.00 1.14 0.00 0.00 0.00 177.63 178.77 1wir s GLN 14 N -3.63 2.76 -0.03 2.89 -2.07 -1.26 -5.08 119.66 113.24 1wir s GLN 14 Ca 0.40 -1.09 0.03 0.00 -1.82 0.00 0.00 55.36 52.88 1wir s GLN 14 Cb 0.38 -3.47 0.00 0.00 -1.09 0.00 0.00 33.01 28.83 1wir s GLN 14 CO -0.01 -0.62 -0.10 -1.01 -1.32 0.00 0.00 175.29 172.23 1wir s HIS 15 N 1.44 1.12 -0.21 9.60 3.76 -1.26 -4.55 115.29 125.20 1wir s HIS 15 Ca -0.00 -0.31 -0.05 0.00 -0.15 0.00 0.00 55.06 54.55 1wir s HIS 15 Cb -0.19 -0.80 -0.02 0.00 1.11 0.00 0.00 32.58 32.68 1wir s HIS 15 CO 0.03 -0.14 -0.01 -0.08 -0.85 0.00 0.00 174.74 173.70 1wir s THR 16 N 0.27 3.82 1.05 1.30 -1.32 0.66 -4.81 115.64 116.61 1wir s THR 16 Ca -0.05 -0.36 -0.14 0.00 -1.21 0.00 0.00 61.69 59.93 1wir s THR 16 Cb -0.10 -2.73 0.22 0.00 -1.51 0.00 0.00 72.50 68.37 1wir s THR 16 CO 0.01 0.42 1.10 -2.16 -2.21 0.00 0.00 174.62 171.78 1wir s PRO 17 N 1.13 -0.02 0.48 7.08 0.04 -1.26 -1.52 135.00 140.94 1wir s PRO 17 Ca 0.02 0.37 -0.07 0.00 0.04 0.00 0.00 61.00 61.36 1wir s PRO 17 Cb -0.14 -1.70 -0.04 0.00 0.04 0.00 0.00 34.50 32.65 1wir s PRO 17 CO 0.01 -3.00 0.81 0.00 0.04 0.00 0.00 177.00 174.86 1wir h LEU 19 N 0.38 0.33 0.09 0.00 -0.00 -1.94 -3.38 115.31 110.78 1wir h LEU 19 Ca -0.47 -0.96 -0.13 0.00 -0.00 0.00 0.00 57.88 56.33 1wir h LEU 19 Cb 1.20 -0.11 0.01 0.00 -0.00 0.00 0.00 40.66 41.77 1wir h LEU 19 CO 0.62 1.30 -0.55 -0.26 -0.00 0.00 0.00 178.44 179.55 1wir h PHE 20 N -0.55 0.38 -4.76 1.13 -1.00 -1.92 -3.42 116.94 106.81 1wir h PHE 20 Ca -0.11 -0.27 -0.28 0.00 2.81 0.00 0.00 57.97 60.12 1wir h PHE 20 Cb 1.47 -0.02 -0.03 0.00 3.61 0.00 0.00 35.95 40.98 1wir h PHE 20 CO 0.22 1.20 -0.15 0.00 -1.61 0.00 0.00 178.31 177.96 1wir n ASP 22 N -1.72 6.59 -4.69 0.00 5.68 -1.26 -3.42 116.55 117.73 1wir n ASP 22 Ca -0.03 -3.78 -0.39 0.00 -0.50 0.00 0.00 54.79 50.08 1wir n ASP 22 Cb 0.29 -0.78 -0.05 0.00 -1.14 0.00 0.00 41.12 39.44 1wir n ASP 22 CO 0.00 0.00 0.00 -0.13 -1.33 0.00 0.00 177.20 175.74 1wir s ARG 23 N -3.80 4.31 0.06 0.11 0.52 -1.26 -4.75 118.95 114.14 1wir s ARG 23 Ca 0.56 0.66 -0.20 0.00 -0.52 0.00 0.00 55.73 56.23 1wir s ARG 23 Cb 0.45 -3.50 -0.06 0.00 0.52 0.00 0.00 34.95 32.36 1wir s ARG 23 CO -0.13 -0.05 0.58 -0.51 0.02 0.00 0.00 175.30 175.20 1wir s LEU 24 N 1.26 4.51 -0.01 2.53 1.43 -1.26 -0.22 118.68 126.91 1wir s LEU 24 Ca 0.31 1.25 0.00 0.00 -1.03 0.00 0.00 54.13 54.66 1wir s LEU 24 Cb -0.16 -2.91 0.01 0.00 0.03 0.00 0.00 46.19 43.17 1wir s LEU 24 CO 0.13 0.24 -0.00 -0.36 0.23 0.00 0.00 176.35 176.58 1wir s PHE 25 N -0.92 0.19 0.20 0.29 0.40 -0.58 -4.94 117.98 112.63 1wir s PHE 25 Ca 0.29 0.01 -0.11 0.00 -0.60 0.00 0.00 56.93 56.53 1wir s PHE 25 Cb -0.19 -0.23 0.25 0.00 0.51 0.00 0.00 43.02 43.35 1wir s PHE 25 CO 0.19 -0.06 1.73 0.00 0.70 0.00 0.00 175.22 177.77 1wir h ALA 26 N 6.71 0.70 -3.10 5.36 0.00 -1.86 0.19 119.26 127.25 1wir h ALA 26 Ca -0.35 0.10 -0.64 0.00 0.00 0.00 0.00 54.91 54.01 1wir h ALA 26 Cb 1.16 0.10 -0.18 0.00 0.00 0.00 0.00 17.79 18.87 1wir h ALA 26 CO 0.49 -0.25 -0.82 -1.12 0.00 0.00 0.00 179.25 177.56 1wir s SER 27 N -5.35 3.38 0.13 0.00 0.01 -1.26 -4.47 113.70 106.14 1wir s SER 27 Ca -0.13 -0.88 -0.19 0.00 1.31 0.00 0.00 55.95 56.06 1wir s SER 27 Cb 0.17 -0.25 -0.03 0.00 0.21 0.00 0.00 66.02 66.11 1wir s SER 27 CO 0.74 0.10 1.76 0.00 0.41 0.00 0.00 173.24 176.25 1wir h ALA 28 N 3.14 0.27 -0.65 1.44 0.00 -1.90 -2.77 119.26 118.80 1wir h ALA 28 Ca -0.46 0.01 0.13 0.00 0.00 0.00 0.00 54.91 54.60 1wir h ALA 28 Cb 1.21 -0.03 -0.12 0.00 0.00 0.00 0.00 17.79 18.85 1wir h ALA 28 CO 0.49 -0.30 -0.17 0.93 0.00 0.00 0.00 179.25 180.20 1wir h GLU 29 N 0.23 -0.01 -1.03 0.00 5.08 -1.97 0.27 114.58 117.16 1wir h GLU 29 Ca 0.10 0.00 0.27 0.00 -1.00 0.00 0.00 59.36 58.73 1wir h GLU 29 Cb 0.04 0.00 -0.12 0.00 0.50 0.00 0.00 28.75 29.17 1wir h GLU 29 CO -0.08 -0.00 0.62 0.93 -1.00 0.00 0.00 179.01 179.48 1wir h GLU 30 N -0.01 0.46 0.40 2.33 4.39 -1.90 -1.81 114.58 118.45 1wir h GLU 30 Ca 0.31 -0.03 -0.02 0.00 0.34 0.00 0.00 59.36 59.96 1wir h GLU 30 Cb 0.48 -0.10 0.00 0.00 -0.10 0.00 0.00 28.75 29.03 1wir h GLU 30 CO -0.67 0.30 -0.19 1.15 -1.16 0.00 0.00 179.01 178.44 1wir h THR 31 N 0.47 0.00 -0.92 1.13 2.02 -0.50 -2.77 112.91 112.35 1wir h THR 31 Ca 0.66 -0.38 0.08 0.00 0.77 0.00 0.00 66.41 67.54 1wir h THR 31 Cb 1.43 0.00 -0.11 0.00 -1.74 0.00 0.00 68.15 67.73 1wir h THR 31 CO -0.45 0.00 -0.54 0.49 0.37 0.00 0.00 175.52 175.38 1wir n PHE 32 N -4.51 -0.40 -0.24 3.16 3.72 -0.83 0.35 117.46 118.69 1wir n PHE 32 Ca -0.07 1.15 0.05 0.00 -0.05 0.00 0.00 57.45 58.53 1wir n PHE 32 Cb 0.21 -0.57 0.17 0.00 -0.94 0.00 0.00 39.48 38.35 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 0.14 -0.79 4.37 0.87 -1.47 0.36 113.55 117.04 1wir h SER 33 Ca 0.15 0.12 0.07 0.00 -1.23 0.00 0.00 61.79 60.90 1wir h SER 33 Cb 0.38 0.14 -0.06 0.00 -0.44 0.00 0.00 62.40 62.41 1wir h SER 33 CO -0.86 0.04 0.46 -0.74 -0.53 0.00 0.00 176.83 175.20 1wir h HIS 34 N 0.35 0.85 -0.09 2.24 -0.00 0.20 -0.98 115.15 117.72 1wir h HIS 34 Ca 0.40 0.03 -0.10 0.00 -0.00 0.00 0.00 60.37 60.70 1wir h HIS 34 Cb 0.63 -0.27 -0.01 0.00 -0.00 0.00 0.00 27.41 27.76 1wir h HIS 34 CO -0.21 0.41 -0.38 0.00 -0.00 0.00 0.00 177.93 177.75 1wir h LYS 36 N 0.16 0.00 0.00 0.00 1.57 0.16 1.98 116.57 120.43 1wir h LYS 36 Ca 0.02 0.00 -0.40 0.00 -1.87 0.00 0.00 60.65 58.40 1wir h LYS 36 Cb 0.75 0.00 -0.06 0.00 0.08 0.00 0.00 32.23 33.00 1wir h LYS 36 CO 0.06 0.01 -2.17 1.28 -0.57 0.00 0.00 179.45 178.05 1wir n LEU 37 N -3.10 1.97 -0.01 2.94 4.77 -0.74 -3.79 117.00 119.03 1wir n LEU 37 Ca 0.01 0.35 -0.00 0.00 -0.03 0.00 0.00 56.01 56.34 1wir n LEU 37 Cb 0.34 -0.87 -0.00 0.00 -2.33 0.00 0.00 43.42 40.56 1wir n LEU 37 CO 0.28 0.50 -0.03 -0.33 -1.33 0.00 0.00 177.39 176.49 1wir h GLU 38 N -0.96 0.00 0.00 3.23 4.39 -0.85 -3.35 114.58 117.04 1wir h GLU 38 Ca -0.60 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.10 1wir h GLU 38 Cb 1.54 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 30.19 1wir h GLU 38 CO -0.35 0.00 0.00 0.72 -1.16 0.00 0.00 179.01 178.22 1wir n HIS 39 N -2.75 0.00 -4.18 4.33 8.25 -0.21 -4.85 115.22 115.82 1wir n HIS 39 Ca -0.01 0.00 -0.36 0.00 -0.26 0.00 0.00 57.72 57.09 1wir n HIS 39 Cb 0.02 0.00 -0.07 0.00 1.12 0.00 0.00 29.99 31.06 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 -0.84 -0.77 -4.76 -0.41 10.64 0.64 -4.84 117.38 117.04 1wir n GLN 40 Ca 0.12 0.12 -0.31 0.00 -1.83 0.00 0.00 57.00 55.09 1wir n GLN 40 Cb 0.06 -4.01 -0.17 0.00 -0.86 0.00 0.00 30.24 25.26 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 -3.17 2.49 -0.16 2.61 5.36 0.42 -4.87 117.98 120.67 1wir s PHE 41 Ca 0.63 -1.19 -0.11 0.00 -0.96 0.00 0.00 56.93 55.30 1wir s PHE 41 Cb -0.37 -1.70 -0.05 0.00 -0.34 0.00 0.00 43.02 40.56 1wir s PHE 41 CO 0.90 -0.54 0.21 -0.80 -1.46 0.00 0.00 175.22 173.54 1wir s ASN 42 N 0.73 6.36 -0.02 6.13 -0.87 -1.26 -2.96 114.94 123.04 1wir s ASN 42 Ca -0.10 0.41 -0.20 0.00 -1.57 0.00 0.00 52.86 51.41 1wir s ASN 42 Cb -0.16 -2.13 -0.33 0.00 -0.02 0.00 0.00 41.25 38.61 1wir s ASN 42 CO 0.01 0.18 0.93 -0.29 -2.57 0.00 0.00 177.10 175.36 1wir h ILE 43 N 4.54 1.43 -0.33 0.60 6.09 -1.99 -3.31 117.51 124.53 1wir h ILE 43 Ca -0.43 -2.59 0.06 0.00 -1.37 0.00 0.00 64.86 60.52 1wir h ILE 43 Cb 1.17 3.15 -0.06 0.00 0.47 0.00 0.00 36.82 41.55 1wir h ILE 43 CO 0.73 0.75 -0.02 -0.78 -3.07 0.00 0.00 178.15 175.76 1wir h ASP 44 N -0.19 -0.17 -0.76 2.19 3.58 -2.00 -1.80 116.42 117.26 1wir h ASP 44 Ca -0.18 0.08 0.16 0.00 0.42 0.00 0.00 57.03 57.51 1wir h ASP 44 Cb 1.83 0.15 -0.11 0.00 1.72 0.00 0.00 39.33 42.92 1wir h ASP 44 CO 0.20 -0.05 0.23 0.28 -2.88 0.00 0.00 179.24 177.02 1wir h SER 45 N 0.07 0.12 -0.40 2.28 0.02 -2.00 -0.04 113.55 113.60 1wir h SER 45 Ca 0.16 0.14 0.03 0.00 -0.84 0.00 0.00 61.79 61.28 1wir h SER 45 Cb 0.23 0.16 -0.03 0.00 0.14 0.00 0.00 62.40 62.89 1wir h SER 45 CO -0.29 0.00 0.20 0.24 -1.14 0.00 0.00 176.83 175.84 1wir h MET 46 N 0.33 0.39 -0.85 3.45 2.86 -1.43 0.26 114.93 119.95 1wir h MET 46 Ca 0.43 -0.02 -0.00 0.00 -2.06 0.00 0.00 59.70 58.04 1wir h MET 46 Cb 0.72 -0.09 -0.04 0.00 0.06 0.00 0.00 31.60 32.25 1wir h MET 46 CO -0.48 0.26 0.52 0.28 1.06 0.00 0.00 176.91 178.55 1wir h VAL 47 N 0.40 1.23 -0.37 -2.22 2.07 -0.70 0.16 116.25 116.82 1wir h VAL 47 Ca 0.17 -0.50 -0.16 0.00 0.82 0.00 0.00 66.70 67.03 1wir h VAL 47 Cb 0.08 0.03 -0.00 0.00 -1.52 0.00 0.00 31.29 29.88 1wir h VAL 47 CO -0.12 0.24 -0.41 0.45 0.02 0.00 0.00 177.57 177.75 1wir h HIS 48 N 1.16 1.13 0.42 1.57 3.86 -0.63 0.21 115.15 122.87 1wir h HIS 48 Ca 0.31 -0.35 -0.02 0.00 -1.16 0.00 0.00 60.37 59.15 1wir h HIS 48 Cb -0.06 -0.23 0.00 0.00 1.06 0.00 0.00 27.41 28.18 1wir h HIS 48 CO -0.00 1.18 -0.20 -0.22 0.86 0.00 0.00 177.93 179.55 1wir h LYS 49 N 0.75 -0.54 -0.93 2.45 3.11 -0.13 -3.17 116.57 118.11 1wir h LYS 49 Ca 0.05 0.04 -0.01 0.00 -2.81 0.00 0.00 60.65 57.92 1wir h LYS 49 Cb 1.01 0.12 -0.00 0.00 -1.00 0.00 0.00 32.23 32.36 1wir h LYS 49 CO 0.10 -0.36 0.01 0.72 -2.81 0.00 0.00 179.45 177.11 1wir n HIS 50 N -4.27 0.39 -3.65 1.91 8.25 0.54 -4.85 115.22 113.53 1wir n HIS 50 Ca -0.07 -0.18 -0.29 0.00 -0.26 0.00 0.00 57.72 56.92 1wir n HIS 50 Cb 0.22 -0.19 -0.05 0.00 1.12 0.00 0.00 29.99 31.09 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 0.12 -0.33 3.61 -1.41 0.00 0.40 -4.73 105.19 102.86 1wir n GLY 51 Ca 0.05 0.05 -0.50 0.00 0.00 0.00 0.00 46.02 45.62 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 -3.13 2.00 0.00 0.99 4.77 0.47 -4.97 117.00 117.12 1wir n LEU 52 Ca 0.08 1.11 -0.21 0.00 -0.03 0.00 0.00 56.01 56.97 1wir n LEU 52 Cb 0.36 -1.25 0.04 0.00 -2.33 0.00 0.00 43.42 40.24 1wir n LEU 52 CO 0.66 -0.88 0.24 -0.62 -1.33 0.00 0.00 177.39 175.46 1wir n GLU 53 N 2.65 0.66 -0.27 3.23 -0.58 -1.26 -4.60 120.64 120.47 1wir n GLU 53 Ca 0.18 -3.05 -0.01 0.00 -0.42 0.00 0.00 57.16 53.85 1wir n GLU 53 Cb 0.22 -0.02 0.02 0.00 -0.57 0.00 0.00 31.44 31.09 1wir n GLU 53 CO 0.00 0.00 0.00 0.34 -0.48 0.00 0.00 177.13 176.99 1wir n PHE 54 N -2.02 -0.01 -0.06 -0.32 -0.00 -1.26 -0.33 117.46 113.47 1wir n PHE 54 Ca 0.09 0.87 -0.17 0.00 -0.00 0.00 0.00 57.45 58.23 1wir n PHE 54 Cb 0.57 -0.74 -0.13 0.00 -0.00 0.00 0.00 39.48 39.18 1wir n PHE 54 CO 0.00 0.00 0.00 1.88 -0.00 0.00 0.00 176.76 178.64 1wir h TYR 55 N 0.00 0.11 -0.98 -5.13 0.05 -1.99 -3.35 116.97 105.68 1wir h TYR 55 Ca 0.23 -0.08 0.18 0.00 0.05 0.00 0.00 58.73 59.12 1wir h TYR 55 Cb 0.41 -0.00 -0.18 0.00 1.01 0.00 0.00 36.73 37.96 1wir h TYR 55 CO -0.62 1.22 -0.29 0.78 -1.05 0.00 0.00 178.16 178.19 1wir h GLY 56 N -0.82 0.52 0.49 3.88 0.00 -1.46 0.53 103.07 106.21 1wir h GLY 56 Ca -0.14 0.38 0.09 0.00 0.00 0.00 0.00 47.33 47.66 1wir h GLY 56 CO -0.03 -0.32 0.32 -1.82 0.00 0.00 0.00 176.54 174.69 1wir h TYR 57 N -0.00 0.57 -0.72 5.60 3.20 -0.83 -1.61 116.97 123.17 1wir h TYR 57 Ca 0.43 0.03 0.10 0.00 3.14 0.00 0.00 58.73 62.43 1wir h TYR 57 Cb 0.68 -0.16 -0.08 0.00 1.54 0.00 0.00 36.73 38.72 1wir h TYR 57 CO -0.79 0.21 0.35 0.82 -1.64 0.00 0.00 178.16 177.11 1wir h ILE 58 N 0.56 0.82 -0.85 1.81 2.04 -0.08 -0.61 117.51 121.20 1wir h ILE 58 Ca 0.33 -0.20 0.05 0.00 1.00 0.00 0.00 64.86 66.04 1wir h ILE 58 Cb 0.34 0.19 -0.05 0.00 -0.74 0.00 0.00 36.82 36.56 1wir h ILE 58 CO -0.26 0.11 0.56 0.11 0.00 0.00 0.00 178.15 178.66 1wir h LYS 59 N 0.58 0.98 -0.45 2.37 1.57 -0.76 -1.49 116.57 119.37 1wir h LYS 59 Ca 0.36 -0.06 -0.04 0.00 -1.87 0.00 0.00 60.65 59.04 1wir h LYS 59 Cb 0.41 -0.22 -0.02 0.00 0.08 0.00 0.00 32.23 32.48 1wir h LYS 59 CO -0.29 0.65 0.13 1.25 -0.57 0.00 0.00 179.45 180.62 1wir h LEU 60 N 1.01 0.66 0.73 2.94 7.12 -0.87 0.16 115.31 127.07 1wir h LEU 60 Ca 0.35 -0.22 -0.04 0.00 0.13 0.00 0.00 57.88 58.11 1wir h LEU 60 Cb 0.10 -0.17 0.01 0.00 -0.53 0.00 0.00 40.66 40.07 1wir h LEU 60 CO -0.11 0.71 -0.35 0.40 -0.13 0.00 0.00 178.44 178.95 1wir h ILE 61 N 0.59 0.00 -0.83 4.05 1.08 -0.81 -2.97 117.51 118.61 1wir h ILE 61 Ca 0.14 -0.11 0.08 0.00 -0.39 0.00 0.00 64.86 64.57 1wir h ILE 61 Cb 0.29 0.00 -0.06 0.00 -3.07 0.00 0.00 36.82 33.98 1wir h ILE 61 CO -0.00 0.00 0.54 0.78 -0.69 0.00 0.00 178.15 178.78 1wir h ASN 62 N -1.09 0.77 -0.79 1.72 2.35 -1.35 -1.84 115.58 115.35 1wir h ASN 62 Ca -0.10 0.01 0.17 0.00 -0.55 0.00 0.00 56.30 55.83 1wir h ASN 62 Cb 0.75 -0.15 -0.11 0.00 0.05 0.00 0.00 38.32 38.85 1wir h ASN 62 CO 0.16 0.48 0.27 0.15 -1.65 0.00 0.00 177.43 176.85 1wir h PHE 63 N 0.87 0.45 -0.03 1.19 3.57 -0.59 0.19 116.94 122.60 1wir h PHE 63 Ca 0.37 0.04 -0.16 0.00 3.53 0.00 0.00 57.97 61.75 1wir h PHE 63 Cb 0.30 -0.08 -0.01 0.00 2.79 0.00 0.00 35.95 38.95 1wir h PHE 63 CO -0.00 -0.03 -0.71 0.82 -2.23 0.00 0.00 178.31 176.16 1wir h ILE 64 N 0.36 1.45 -0.15 1.41 2.04 -1.19 0.11 117.51 121.55 1wir h ILE 64 Ca 0.46 -2.28 -0.08 0.00 1.00 0.00 0.00 64.86 63.95 1wir h ILE 64 Cb 0.78 2.22 -0.01 0.00 -0.74 0.00 0.00 36.82 39.07 1wir h ILE 64 CO -0.49 0.66 -0.28 0.03 0.00 0.00 0.00 178.15 178.08 1wir h ARG 65 N 0.09 0.27 0.00 2.37 2.47 -0.38 0.51 114.38 119.71 1wir h ARG 65 Ca -0.02 -0.10 -0.09 0.00 -1.26 0.00 0.00 59.98 58.51 1wir h ARG 65 Cb 1.25 -0.02 -0.01 0.00 -1.65 0.00 0.00 29.97 29.54 1wir h ARG 65 CO 0.10 0.54 -0.85 -0.11 0.56 0.00 0.00 179.97 180.21 1wir n LEU 66 N -4.13 1.84 -0.02 3.04 0.00 0.07 -4.56 117.00 113.24 1wir n LEU 66 Ca -0.01 0.54 -0.13 0.00 0.00 0.00 0.00 56.01 56.42 1wir n LEU 66 Cb 0.39 -0.89 -0.09 0.00 0.00 0.00 0.00 43.42 42.83 1wir n LEU 66 CO 0.40 -0.19 0.66 0.11 0.00 0.00 0.00 177.39 178.37 1wir h LYS 67 N -1.00 0.11 -4.87 1.96 1.79 -0.88 -3.48 116.57 110.20 1wir h LYS 67 Ca -0.14 -0.05 -0.26 0.00 -2.18 0.00 0.00 60.65 58.02 1wir h LYS 67 Cb 0.83 -0.00 0.13 0.00 -1.58 0.00 0.00 32.23 31.61 1wir h LYS 67 CO -0.08 0.51 -0.61 0.09 -1.08 0.00 0.00 179.45 178.29 1wir n ASN 68 N -4.79 -2.04 -3.17 0.86 4.13 0.18 -5.03 115.26 105.40 1wir n ASN 68 Ca -0.07 -0.49 0.00 0.00 1.68 0.00 0.00 54.58 55.70 1wir n ASN 68 Cb 0.26 -4.14 0.00 0.00 -1.54 0.00 0.00 39.78 34.35 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 0.31 -4.71 3.52 -0.04 -1.26 -5.08 135.00 124.28 1wir n PRO 69 Ca -0.23 0.00 -0.26 0.00 -0.04 0.00 0.00 63.50 62.97 1wir n PRO 69 Cb 0.63 0.00 -0.14 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 -0.34 1.67 0.21 0.52 -1.32 -1.26 -4.94 115.64 110.17 1wir s THR 70 Ca 0.00 -1.15 -0.02 0.00 -1.21 0.00 0.00 61.69 59.31 1wir s THR 70 Cb 0.00 -1.44 0.31 0.00 -1.51 0.00 0.00 72.50 69.86 1wir s THR 70 CO 0.00 0.25 1.10 0.52 -2.21 0.00 0.00 174.62 174.28 1wir n VAL 71 N 1.97 -0.29 -0.22 5.08 0.31 -1.26 0.13 118.33 124.04 1wir n VAL 71 Ca -0.17 1.58 -0.01 0.00 -0.01 0.00 0.00 64.34 65.73 1wir n VAL 71 Cb 0.53 -2.24 0.06 0.00 -0.91 0.00 0.00 33.84 31.28 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 -0.04 0.76 5.55 5.08 -1.95 -0.92 114.58 123.06 1wir h GLU 72 Ca 0.38 0.00 -0.04 0.00 -1.00 0.00 0.00 59.36 58.70 1wir h GLU 72 Cb 0.69 0.01 0.01 0.00 0.50 0.00 0.00 28.75 29.95 1wir h GLU 72 CO -0.69 -0.03 -0.37 -0.92 -1.00 0.00 0.00 179.01 176.00 1wir h TYR 73 N -0.04 -0.95 -1.45 4.33 3.20 0.74 -2.70 116.97 120.10 1wir h TYR 73 Ca 0.30 -0.02 0.45 0.00 3.14 0.00 0.00 58.73 62.60 1wir h TYR 73 Cb 0.51 0.31 -0.11 0.00 1.54 0.00 0.00 36.73 38.99 1wir h TYR 73 CO -0.57 -0.57 0.98 0.52 -1.64 0.00 0.00 178.16 176.88 1wir h MET 74 N -1.14 0.07 -0.17 1.82 2.86 -0.98 0.68 114.93 118.06 1wir h MET 74 Ca -0.10 -0.00 -0.04 0.00 -2.06 0.00 0.00 59.70 57.49 1wir h MET 74 Cb 0.80 -0.02 -0.01 0.00 0.06 0.00 0.00 31.60 32.44 1wir h MET 74 CO 0.17 0.04 -0.04 -0.91 1.06 0.00 0.00 176.91 177.23 1wir h ASN 75 N 0.07 0.34 -2.90 1.22 2.35 -0.87 -3.34 115.58 112.44 1wir h ASN 75 Ca 0.81 -0.37 -0.78 0.00 -0.55 0.00 0.00 56.30 55.42 1wir h ASN 75 Cb 2.78 -0.09 -0.24 0.00 0.05 0.00 0.00 38.32 40.82 1wir h ASN 75 CO -0.28 0.63 0.89 -0.24 -1.65 0.00 0.00 177.43 176.78 1wir n SER 76 N -4.66 5.47 -4.18 5.81 2.88 0.24 -4.98 113.62 114.19 1wir n SER 76 Ca -0.05 -3.05 -0.26 0.00 -1.33 0.00 0.00 58.87 54.18 1wir n SER 76 Cb 0.27 -1.44 -0.16 0.00 -0.75 0.00 0.00 64.21 62.13 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 -0.31 1.49 0.28 2.46 -1.09 -1.24 -4.90 121.20 117.89 1wir s ILE 77 Ca 0.36 -0.79 0.03 0.00 -2.23 0.00 0.00 60.65 58.01 1wir s ILE 77 Cb -0.05 -1.25 -0.03 0.00 -1.58 0.00 0.00 42.46 39.55 1wir s ILE 77 CO -0.03 0.42 0.24 -0.72 -1.23 0.00 0.00 174.94 173.62 1wir s TYR 78 N -0.34 1.47 -0.00 3.97 1.13 -1.26 -5.07 117.35 117.25 1wir s TYR 78 Ca 0.05 -1.52 -0.14 0.00 -1.41 0.00 0.00 57.07 54.05 1wir s TYR 78 Cb -0.08 -0.60 -0.06 0.00 -1.10 0.00 0.00 41.96 40.12 1wir s TYR 78 CO -0.00 -0.81 0.39 0.54 -2.51 0.00 0.00 175.55 173.17 1wir s ASN 79 N -3.28 6.78 0.10 -0.18 2.20 -1.26 -1.71 114.94 117.59 1wir s ASN 79 Ca 0.39 0.93 -0.31 0.00 -0.94 0.00 0.00 52.86 52.93 1wir s ASN 79 Cb 0.04 -2.24 -0.07 0.00 -2.00 0.00 0.00 41.25 36.98 1wir s ASN 79 CO 0.21 0.32 1.37 -2.16 -2.94 0.00 0.00 177.10 173.90 1wir s PRO 80 N -1.13 4.33 0.66 3.55 0.04 -1.26 -5.12 135.00 136.06 1wir s PRO 80 Ca 0.24 2.03 -0.17 0.00 0.04 0.00 0.00 61.00 63.14 1wir s PRO 80 Cb -0.16 -3.30 -0.00 0.00 0.04 0.00 0.00 34.50 31.08 1wir s PRO 80 CO 0.13 -0.43 1.25 0.14 0.04 0.00 0.00 177.00 178.12 1wir s VAL 81 N 1.25 2.27 -1.97 -0.36 -7.23 -0.69 -4.87 120.40 108.81 1wir s VAL 81 Ca 0.64 0.16 0.15 0.00 -1.81 0.00 0.00 61.98 61.12 1wir s VAL 81 Cb -0.35 -2.97 0.43 0.00 0.56 0.00 0.00 36.38 34.05 1wir s VAL 81 CO 0.30 -0.05 1.34 -0.81 -0.31 0.00 0.00 175.10 175.57 1wir n PRO 82 N -2.05 0.47 -0.12 4.82 -0.04 -1.26 -2.02 135.00 134.80 1wir n PRO 82 Ca 0.15 0.01 0.09 0.00 -0.04 0.00 0.00 63.50 63.71 1wir n PRO 82 Cb 0.49 -1.50 0.13 0.00 -0.04 0.00 0.00 33.50 32.58 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 -1.02 0.00 0.42 0.54 2.14 -1.26 -4.74 117.44 113.53 1wir n TRP 83 Ca 0.11 -0.94 -0.06 0.00 2.07 0.00 0.00 57.50 58.68 1wir n TRP 83 Cb 0.06 -0.15 0.04 0.00 -0.81 0.00 0.00 31.31 30.46 1wir n TRP 83 CO 0.00 0.00 0.00 -1.91 2.07 0.00 0.00 177.69 177.85 1wir n GLU 84 N -1.32 1.31 -3.88 -2.67 0.00 -0.86 -4.68 120.64 108.55 1wir n GLU 84 Ca 0.15 -0.75 -0.36 0.00 0.00 0.00 0.00 57.16 56.20 1wir n GLU 84 Cb 0.65 -1.29 -0.07 0.00 0.00 0.00 0.00 31.44 30.72 1wir n GLU 84 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.13 177.28 1wir s LYS 85 N -0.82 3.70 0.29 5.31 -0.14 -1.26 -4.99 119.74 121.82 1wir s LYS 85 Ca 0.14 -0.20 -0.01 0.00 -1.36 0.00 0.00 55.97 54.55 1wir s LYS 85 Cb 0.12 -3.24 0.42 0.00 -1.68 0.00 0.00 37.83 33.45 1wir s LYS 85 CO 0.03 0.57 1.83 -0.44 -0.76 0.00 0.00 175.35 176.58 1wir h ASP 86 N 5.70 0.74 -0.73 2.83 3.32 -2.02 -2.45 116.42 123.81 1wir h ASP 86 Ca -0.49 -0.13 0.14 0.00 0.02 0.00 0.00 57.03 56.57 1wir h ASP 86 Cb 1.20 -0.19 -0.05 0.00 0.22 0.00 0.00 39.33 40.50 1wir h ASP 86 CO 0.65 0.74 0.49 1.05 -1.72 0.00 0.00 179.24 180.44 1wir h GLU 87 N 0.77 0.42 -0.96 3.56 4.11 -1.97 -0.44 114.58 120.05 1wir h GLU 87 Ca 0.17 -0.03 0.04 0.00 0.07 0.00 0.00 59.36 59.61 1wir h GLU 87 Cb 0.29 -0.09 -0.06 0.00 0.50 0.00 0.00 28.75 29.39 1wir h GLU 87 CO -0.00 0.28 0.63 1.88 0.07 0.00 0.00 179.01 181.87 1wir h TYR 88 N 0.43 1.17 -1.14 2.06 0.05 -1.80 -2.33 116.97 115.41 1wir h TYR 88 Ca 0.35 0.03 0.42 0.00 0.05 0.00 0.00 58.73 59.59 1wir h TYR 88 Cb 0.77 -0.39 -0.15 0.00 1.01 0.00 0.00 36.73 37.98 1wir h TYR 88 CO -0.00 0.67 0.70 1.28 -1.05 0.00 0.00 178.16 179.76 1wir n LEU 89 N -4.44 0.25 -4.77 3.88 4.77 -0.17 -4.36 117.00 112.15 1wir n LEU 89 Ca 0.13 1.40 -0.40 0.00 -0.03 0.00 0.00 56.01 57.11 1wir n LEU 89 Cb 0.11 -0.69 -0.02 0.00 -2.33 0.00 0.00 43.42 40.49 1wir n LEU 89 CO 0.34 -1.54 0.98 -0.54 -1.33 0.00 0.00 177.39 175.31 1wir s LYS 90 N -5.25 4.26 -0.53 3.23 1.02 -0.88 -4.88 119.74 116.70 1wir s LYS 90 Ca -0.08 2.23 -0.27 0.00 0.02 0.00 0.00 55.97 57.87 1wir s LYS 90 Cb 0.30 -2.99 -0.02 0.00 -0.52 0.00 0.00 37.83 34.60 1wir s LYS 90 CO 0.75 -0.28 1.81 -1.25 -0.92 0.00 0.00 175.35 175.47 1wir s PRO 91 N -1.91 2.87 0.41 -1.68 0.04 -1.26 -4.85 135.00 128.61 1wir s PRO 91 Ca 0.51 0.84 0.20 0.00 0.04 0.00 0.00 61.00 62.59 1wir s PRO 91 Cb -0.40 -4.31 1.16 0.00 0.04 0.00 0.00 34.50 30.98 1wir s PRO 91 CO 0.53 -2.43 1.76 0.28 0.04 0.00 0.00 177.00 177.17 1wir h VAL 92 N 6.84 0.48 -4.71 -0.36 2.07 -1.91 -3.42 116.25 115.24 1wir h VAL 92 Ca -0.28 -0.12 -0.29 0.00 0.82 0.00 0.00 66.70 66.83 1wir h VAL 92 Cb 1.16 0.10 -0.04 0.00 -1.52 0.00 0.00 31.29 30.99 1wir h VAL 92 CO 1.16 0.06 -0.17 0.18 0.02 0.00 0.00 177.57 178.82 1wir n LEU 93 N -4.62 0.00 -4.69 2.57 4.32 -1.26 -5.10 117.00 108.22 1wir n LEU 93 Ca 0.26 -1.43 -0.35 0.00 -0.02 0.00 0.00 56.01 54.47 1wir n LEU 93 Cb 0.95 0.06 -0.09 0.00 -1.62 0.00 0.00 43.42 42.72 1wir n LEU 93 CO 0.25 -0.32 -0.28 -0.70 -1.22 0.00 0.00 177.39 175.12 1wir s GLU 94 N -2.98 3.23 -1.36 3.23 2.12 -1.26 -4.49 118.70 117.18 1wir s GLU 94 Ca 0.08 -0.37 -0.08 0.00 0.36 0.00 0.00 54.97 54.97 1wir s GLU 94 Cb -0.01 -2.91 0.02 0.00 0.26 0.00 0.00 34.13 31.49 1wir s GLU 94 CO 0.05 0.63 1.11 -3.47 -0.54 0.00 0.00 175.26 173.03 1wir n ASP 95 N 2.40 -5.25 -4.56 -1.70 2.03 -1.26 -4.86 116.55 103.36 1wir n ASP 95 Ca -0.18 -0.60 -0.38 0.00 0.52 0.00 0.00 54.79 54.14 1wir n ASP 95 Cb 0.54 -4.82 -0.03 0.00 -0.72 0.00 0.00 41.12 36.09 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 -3.52 5.05 0.27 1.67 -1.08 -1.26 -4.82 116.67 112.97 1wir s ASP 96 Ca 0.49 0.80 -0.02 0.00 -0.52 0.00 0.00 52.55 53.30 1wir s ASP 96 Cb -0.22 -2.52 0.35 0.00 -1.46 0.00 0.00 42.92 39.07 1wir s ASP 96 CO 0.75 -2.46 1.80 -0.07 0.52 0.00 0.00 175.17 175.71 1wir h LEU 97 N 17.17 0.81 -0.64 -1.34 3.38 -1.91 -2.91 115.31 129.88 1wir h LEU 97 Ca -0.27 -0.16 0.13 0.00 0.09 0.00 0.00 57.88 57.67 1wir h LEU 97 Cb 1.20 -0.21 -0.10 0.00 0.09 0.00 0.00 40.66 41.64 1wir h LEU 97 CO 1.16 0.81 0.09 -0.07 0.09 0.00 0.00 178.44 180.52 1wir h LEU 98 N 0.82 -0.11 -1.88 1.67 3.38 -1.96 0.32 115.31 117.55 1wir h LEU 98 Ca 0.17 0.14 -0.01 0.00 0.09 0.00 0.00 57.88 58.27 1wir h LEU 98 Cb 0.34 0.21 -0.00 0.00 0.09 0.00 0.00 40.66 41.30 1wir h LEU 98 CO 0.00 -0.06 -0.06 -0.07 0.09 0.00 0.00 178.44 178.35 1wir h LEU 99 N 0.20 0.00 -3.89 1.67 3.38 -1.91 -1.69 115.31 113.06 1wir h LEU 99 Ca 0.34 -0.00 -0.53 0.00 0.09 0.00 0.00 57.88 57.78 1wir h LEU 99 Cb 0.55 -0.00 -0.28 0.00 0.09 0.00 0.00 40.66 41.02 1wir h LEU 99 CO -0.48 0.06 0.54 0.00 0.09 0.00 0.00 178.44 178.65 1wir n GLN 100 N -4.47 2.43 -3.24 1.13 10.64 0.10 -4.95 117.38 119.02 1wir n GLN 100 Ca -0.03 -3.21 -0.26 0.00 -1.83 0.00 0.00 57.00 51.67 1wir n GLN 100 Cb 0.14 -2.17 -0.02 0.00 -0.86 0.00 0.00 30.24 27.33 1wir n GLN 100 CO 0.00 0.00 0.00 0.12 -1.83 0.00 0.00 177.06 175.35 1wir s PHE 101 N -3.50 3.50 -1.21 2.61 5.36 -0.64 -4.98 117.98 119.13 1wir s PHE 101 Ca 0.58 0.54 -0.21 0.00 -0.96 0.00 0.00 56.93 56.87 1wir s PHE 101 Cb 0.48 -2.04 -0.03 0.00 -0.34 0.00 0.00 43.02 41.08 1wir s PHE 101 CO 0.05 0.08 1.86 -0.51 -1.46 0.00 0.00 175.22 175.24 1wir s ASP 102 N -3.71 5.62 0.04 6.13 1.01 -1.26 -4.62 116.67 119.88 1wir s ASP 102 Ca 0.43 -1.87 0.16 0.00 0.71 0.00 0.00 52.55 51.98 1wir s ASP 102 Cb -0.10 -2.59 -0.16 0.00 1.01 0.00 0.00 42.92 41.09 1wir s ASP 102 CO 0.35 -2.45 0.78 0.55 0.21 0.00 0.00 175.17 174.61 1wir n VAL 103 N 7.35 1.25 -0.19 -1.27 3.14 -1.26 -4.19 118.33 123.16 1wir n VAL 103 Ca 0.46 -0.71 0.00 0.00 -2.96 0.00 0.00 64.34 61.13 1wir n VAL 103 Cb 0.46 -0.78 0.10 0.00 -1.06 0.00 0.00 33.84 32.57 1wir n VAL 103 CO 0.00 0.00 0.00 -0.33 -6.46 0.00 0.00 176.83 170.04 1wir h GLU 104 N 0.00 0.25 -0.91 1.45 5.08 -1.98 0.76 114.58 119.23 1wir h GLU 104 Ca -0.19 -0.02 0.22 0.00 -1.00 0.00 0.00 59.36 58.37 1wir h GLU 104 Cb 1.66 -0.06 -0.06 0.00 0.50 0.00 0.00 28.75 30.79 1wir h GLU 104 CO 0.05 0.17 0.61 0.22 -1.00 0.00 0.00 179.01 179.05 1wir h ASP 105 N 0.26 0.34 -0.62 1.42 3.58 -1.97 0.21 116.42 119.64 1wir h ASP 105 Ca 0.31 0.04 0.12 0.00 0.42 0.00 0.00 57.03 57.91 1wir h ASP 105 Cb 0.45 -0.02 -0.04 0.00 1.72 0.00 0.00 39.33 41.44 1wir h ASP 105 CO -0.39 0.13 0.42 -0.07 -2.88 0.00 0.00 179.24 176.44 1wir h LEU 106 N 0.33 0.30 0.00 2.28 3.38 -1.06 -3.42 115.31 117.12 1wir h LEU 106 Ca 0.47 0.01 -0.19 0.00 0.09 0.00 0.00 57.88 58.26 1wir h LEU 106 Cb 1.29 -0.05 0.09 0.00 0.09 0.00 0.00 40.66 42.07 1wir h LEU 106 CO -0.16 0.17 0.13 -1.22 0.09 0.00 0.00 178.44 177.46 1wir n TYR 107 N -4.46 -3.73 -3.77 1.13 4.01 0.74 -5.00 117.16 106.08 1wir n TYR 107 Ca 0.11 -0.51 -0.13 0.00 -0.16 0.00 0.00 57.90 57.21 1wir n TYR 107 Cb 0.45 -0.50 -0.13 0.00 -0.31 0.00 0.00 39.34 38.85 1wir n TYR 107 CO 0.00 0.00 0.00 -2.00 -0.46 0.00 0.00 176.86 174.40 1wir s GLU 108 N -4.27 0.18 -1.05 -0.72 2.56 -1.26 -5.07 118.70 109.07 1wir s GLU 108 Ca 0.34 0.37 -0.24 0.00 0.00 0.00 0.00 54.97 55.45 1wir s GLU 108 Cb -0.02 -0.04 -0.07 0.00 2.00 0.00 0.00 34.13 36.00 1wir s GLU 108 CO 0.25 -0.11 1.94 -1.25 -0.56 0.00 0.00 175.26 175.53 1wir s PRO 109 N 0.74 2.53 -0.54 4.30 0.04 -1.26 -4.80 135.00 136.01 1wir s PRO 109 Ca -0.05 -0.74 0.07 0.00 0.04 0.00 0.00 61.00 60.31 1wir s PRO 109 Cb -0.07 -5.16 0.28 0.00 0.04 0.00 0.00 34.50 29.60 1wir s PRO 109 CO -0.04 -3.69 0.74 0.28 0.04 0.00 0.00 177.00 174.33 1wir n VAL 110 N 7.84 1.60 -2.04 -0.36 0.31 -1.26 -4.87 118.33 119.55 1wir n VAL 110 Ca 0.43 -4.98 -0.24 0.00 -0.01 0.00 0.00 64.34 59.54 1wir n VAL 110 Cb 0.47 -1.73 0.02 0.00 -0.91 0.00 0.00 33.84 31.69 1wir n VAL 110 CO 0.00 0.00 0.00 -0.24 -1.32 0.00 0.00 176.83 175.27 1wir n SER 111 N 0.67 4.94 -4.24 4.52 2.88 -1.26 -5.02 113.62 116.11 1wir n SER 111 Ca 0.28 -3.75 -0.31 0.00 -1.33 0.00 0.00 58.87 53.75 1wir n SER 111 Cb 0.46 -0.35 -0.17 0.00 -0.75 0.00 0.00 64.21 63.40 1wir n SER 111 CO 0.00 0.00 0.00 0.42 -1.23 0.00 0.00 175.04 174.23 1wir s THR 112 N -4.64 2.03 -0.22 2.46 -4.23 -1.26 -5.01 115.64 104.77 1wir s THR 112 Ca 0.51 -1.03 0.28 0.00 -1.18 0.00 0.00 61.69 60.27 1wir s THR 112 Cb 0.41 -1.73 0.31 0.00 1.34 0.00 0.00 72.50 72.83 1wir s THR 112 CO 0.03 0.56 1.83 1.55 -0.54 0.00 0.00 174.62 178.05 1wir h PRO 113 N 6.32 0.00 -6.69 3.99 0.13 -2.04 -3.44 132.00 130.27 1wir h PRO 113 Ca -0.27 0.00 -0.45 0.00 -0.87 0.00 0.00 66.00 64.41 1wir h PRO 113 Cb 1.20 0.00 0.03 0.00 0.13 0.00 0.00 31.00 32.36 1wir h PRO 113 CO 0.47 0.00 -0.11 -0.59 -0.23 0.00 0.00 178.00 177.54 1wir s PHE 114 N -3.48 3.13 -0.10 1.56 -0.71 -1.26 -5.10 117.98 112.03 1wir s PHE 114 Ca 0.03 0.13 -0.03 0.00 -1.04 0.00 0.00 56.93 56.02 1wir s PHE 114 Cb 0.09 -2.37 -0.03 0.00 -1.21 0.00 0.00 43.02 39.49 1wir s PHE 114 CO 0.45 -0.43 0.03 0.45 -1.34 0.00 0.00 175.22 174.38 1wir s SER 115 N -4.26 5.49 0.02 1.98 0.15 -1.26 -5.04 113.70 110.79 1wir s SER 115 Ca 0.50 0.21 -0.18 0.00 0.70 0.00 0.00 55.95 57.18 1wir s SER 115 Cb -0.10 -1.63 -0.10 0.00 -1.71 0.00 0.00 66.02 62.48 1wir s SER 115 CO 0.37 0.37 1.20 0.28 1.20 0.00 0.00 173.24 176.66 1wir h SER 116 N 5.21 -0.55 0.00 5.45 0.02 -1.99 -3.44 113.55 118.26 1wir h SER 116 Ca -0.51 0.02 -0.14 0.00 -0.84 0.00 0.00 61.79 60.32 1wir h SER 116 Cb 1.20 0.14 -0.13 0.00 0.14 0.00 0.00 62.40 63.75 1wir h SER 116 CO 0.56 -0.37 -0.21 0.61 -1.14 0.00 0.00 176.83 176.28 1wir n GLY 117 N -1.12 -0.85 3.57 -3.77 0.00 -1.26 -5.09 105.19 96.66 1wir n GLY 117 Ca -0.08 0.59 -0.27 0.00 0.00 0.00 0.00 46.02 46.26 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 0.29 2.54 0.30 1.61 0.04 -1.26 -4.90 135.00 133.62 1wir s PRO 118 Ca 0.26 -0.54 0.03 0.00 0.04 0.00 0.00 61.00 60.79 1wir s PRO 118 Cb 0.24 -5.11 -0.04 0.00 0.04 0.00 0.00 34.50 29.63 1wir s PRO 118 CO -0.15 -3.55 0.14 -1.12 0.04 0.00 0.00 177.00 172.36 1wir s SER 119 N 7.60 1.61 -0.10 6.66 0.01 -1.26 -5.17 113.70 123.05 1wir s SER 119 Ca 0.70 -1.52 -0.08 0.00 1.31 0.00 0.00 55.95 56.36 1wir s SER 119 Cb -0.05 0.33 0.03 0.00 0.21 0.00 0.00 66.02 66.54 1wir s SER 119 CO 0.03 -0.85 0.26 -0.55 0.41 0.00 0.00 173.24 172.55 1wir s SER 120 N -3.39 -0.28 0.00 2.44 0.15 -1.26 -5.29 113.70 106.08 1wir s SER 120 Ca 0.35 0.54 0.00 0.00 0.70 0.00 0.00 55.95 57.54 1wir s SER 120 Cb 0.06 0.50 0.00 0.00 -1.71 0.00 0.00 66.02 64.86 1wir s SER 120 CO 0.16 -0.12 0.47 0.61 1.20 0.00 0.00 173.24 175.57