#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 3.81 -3.62 1.61 7.64 -1.26 -4.93 113.62 116.87 1wir n SER 2 Ca 0.00 0.94 -0.05 0.00 1.01 0.00 0.00 58.87 60.77 1wir n SER 2 Cb 0.00 -1.45 -0.02 0.00 -1.01 0.00 0.00 64.21 61.73 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 4.07 -0.25 0.00 6.43 1.04 -1.26 -5.07 113.70 118.67 1wir s SER 3 Ca 0.90 -0.18 0.00 0.00 0.48 0.00 0.00 55.95 57.15 1wir s SER 3 Cb -0.56 0.40 0.00 0.00 0.10 0.00 0.00 66.02 65.95 1wir s SER 3 CO 0.46 -0.69 0.00 0.61 0.98 0.00 0.00 173.24 174.60 1wir n GLY 4 N -0.35 2.01 2.46 7.32 0.00 -1.26 -5.13 105.19 110.24 1wir n GLY 4 Ca -0.07 -0.27 -0.30 0.00 0.00 0.00 0.00 46.02 45.39 1wir n GLY 4 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1wir n SER 5 N 0.00 -3.02 0.07 1.61 7.64 -1.26 -4.95 113.62 113.71 1wir n SER 5 Ca 0.00 0.46 0.00 0.00 1.01 0.00 0.00 58.87 60.34 1wir n SER 5 Cb 0.00 -0.64 0.00 0.00 -1.01 0.00 0.00 64.21 62.56 1wir n SER 5 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 1wir n SER 6 N 2.01 0.72 0.00 6.43 7.64 -1.26 -5.17 113.62 123.99 1wir n SER 6 Ca 0.05 0.21 0.00 0.00 1.01 0.00 0.00 58.87 60.14 1wir n SER 6 Cb 0.37 -0.14 0.00 0.00 -1.01 0.00 0.00 64.21 63.43 1wir n SER 6 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1wir n GLY 7 N 3.01 -0.89 3.07 0.23 0.00 -1.26 -5.16 105.19 104.19 1wir n GLY 7 Ca 0.00 -0.16 -0.12 0.00 0.00 0.00 0.00 46.02 45.73 1wir n GLY 7 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1wir s GLU 8 N -0.03 0.22 0.15 1.61 2.56 -1.26 -5.14 118.70 116.81 1wir s GLU 8 Ca 0.00 0.54 -0.31 0.00 0.00 0.00 0.00 54.97 55.21 1wir s GLU 8 Cb 0.00 -0.12 -0.08 0.00 2.00 0.00 0.00 34.13 35.93 1wir s GLU 8 CO 0.00 -0.16 1.34 -1.25 -0.56 0.00 0.00 175.26 174.62 1wir s PRO 9 N 1.27 4.36 -0.22 4.30 0.04 -1.26 -5.01 135.00 138.48 1wir s PRO 9 Ca -0.09 2.04 -0.12 0.00 0.04 0.00 0.00 61.00 62.87 1wir s PRO 9 Cb -0.10 -3.23 -0.05 0.00 0.04 0.00 0.00 34.50 31.16 1wir s PRO 9 CO -0.09 -0.33 0.21 0.00 0.04 0.00 0.00 177.00 176.83 1wir s ALA 10 N 0.61 3.61 0.49 8.56 0.00 -1.26 -5.09 121.76 128.68 1wir s ALA 10 Ca 0.60 -0.76 0.06 0.00 0.00 0.00 0.00 51.96 51.87 1wir s ALA 10 Cb -0.36 -2.37 0.04 0.00 0.00 0.00 0.00 23.12 20.43 1wir s ALA 10 CO 0.34 -0.15 0.68 -3.38 0.00 0.00 0.00 175.76 173.25 1wir s HIS 11 N 0.97 2.50 0.00 0.00 -3.43 -1.26 -4.99 115.29 109.09 1wir s HIS 11 Ca 0.10 -0.37 0.00 0.00 -0.80 0.00 0.00 55.06 53.99 1wir s HIS 11 Cb -0.13 -2.46 0.00 0.00 -1.43 0.00 0.00 32.58 28.55 1wir s HIS 11 CO 0.04 -0.72 0.00 0.41 -2.00 0.00 0.00 174.74 172.48 1wir n GLY 12 N -2.08 -0.22 2.98 -1.38 0.00 -1.26 -4.93 105.19 98.29 1wir n GLY 12 Ca 0.10 -1.37 -0.14 0.00 0.00 0.00 0.00 46.02 44.61 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 0.00 0.38 -0.29 1.61 3.52 -1.26 -5.15 118.95 117.76 1wir s ARG 13 Ca 0.00 -0.36 -0.15 0.00 -0.13 0.00 0.00 55.73 55.09 1wir s ARG 13 Cb 0.00 -0.27 0.12 0.00 -1.56 0.00 0.00 34.95 33.25 1wir s ARG 13 CO 0.00 0.06 0.83 1.14 -0.81 0.00 0.00 175.30 176.53 1wir s GLN 14 N -0.64 0.51 -0.02 5.12 0.00 -1.26 -5.17 119.66 118.21 1wir s GLN 14 Ca -0.03 0.97 0.02 0.00 -0.00 0.00 0.00 55.36 56.32 1wir s GLN 14 Cb -0.05 0.25 0.00 0.00 0.00 0.00 0.00 33.01 33.21 1wir s GLN 14 CO -0.00 -0.12 -0.08 -1.01 0.00 0.00 0.00 175.29 174.08 1wir s HIS 15 N 1.79 0.82 -0.18 9.60 3.76 -1.26 -4.53 115.29 125.28 1wir s HIS 15 Ca -0.08 -0.19 -0.02 0.00 -0.15 0.00 0.00 55.06 54.62 1wir s HIS 15 Cb -0.06 -0.58 -0.01 0.00 1.11 0.00 0.00 32.58 33.05 1wir s HIS 15 CO -0.18 -0.08 -0.09 -0.08 -0.85 0.00 0.00 174.74 173.47 1wir s THR 16 N 0.14 3.16 0.92 1.30 -1.32 0.86 -4.81 115.64 115.88 1wir s THR 16 Ca -0.02 -0.59 -0.12 0.00 -1.21 0.00 0.00 61.69 59.76 1wir s THR 16 Cb -0.07 -2.39 0.14 0.00 -1.51 0.00 0.00 72.50 68.67 1wir s THR 16 CO 0.00 0.47 1.09 -2.16 -2.21 0.00 0.00 174.62 171.82 1wir s PRO 17 N 1.02 1.07 0.56 7.08 0.04 -1.26 -1.51 135.00 142.01 1wir s PRO 17 Ca -0.00 0.76 -0.14 0.00 0.04 0.00 0.00 61.00 61.65 1wir s PRO 17 Cb -0.15 -1.79 -0.06 0.00 0.04 0.00 0.00 34.50 32.54 1wir s PRO 17 CO -0.01 -2.35 1.00 0.00 0.04 0.00 0.00 177.00 175.68 1wir h LEU 19 N 0.39 0.36 0.02 0.00 -0.00 -1.94 -3.38 115.31 110.76 1wir h LEU 19 Ca -0.46 -0.85 -0.03 0.00 -0.00 0.00 0.00 57.88 56.55 1wir h LEU 19 Cb 1.19 -0.11 0.00 0.00 -0.00 0.00 0.00 40.66 41.74 1wir h LEU 19 CO 0.62 1.17 -0.13 -0.26 -0.00 0.00 0.00 178.44 179.83 1wir h PHE 20 N -0.41 0.09 -5.15 1.13 0.04 -1.91 -3.42 116.94 107.31 1wir h PHE 20 Ca -0.07 -0.06 -0.32 0.00 2.80 0.00 0.00 57.97 60.32 1wir h PHE 20 Cb 1.28 -0.00 -0.02 0.00 2.20 0.00 0.00 35.95 39.40 1wir h PHE 20 CO 0.19 1.04 -0.13 0.00 -0.60 0.00 0.00 178.31 178.81 1wir n ASP 22 N -2.05 6.69 -4.65 0.00 9.92 -1.26 -3.45 116.55 121.76 1wir n ASP 22 Ca 0.01 -3.78 -0.40 0.00 -0.53 0.00 0.00 54.79 50.09 1wir n ASP 22 Cb 0.36 -0.78 -0.06 0.00 -0.64 0.00 0.00 41.12 39.99 1wir n ASP 22 CO 0.00 0.00 0.00 -0.13 0.13 0.00 0.00 177.20 177.20 1wir s ARG 23 N -3.79 4.17 0.13 -1.24 0.52 -1.26 -4.75 118.95 112.74 1wir s ARG 23 Ca 0.58 0.53 -0.22 0.00 -0.52 0.00 0.00 55.73 56.10 1wir s ARG 23 Cb 0.46 -3.60 -0.07 0.00 0.52 0.00 0.00 34.95 32.26 1wir s ARG 23 CO -0.08 -0.28 0.68 -0.51 0.02 0.00 0.00 175.30 175.13 1wir s LEU 24 N 2.05 4.53 0.02 2.53 1.43 -1.26 -0.07 118.68 127.91 1wir s LEU 24 Ca 0.26 1.45 0.03 0.00 -1.03 0.00 0.00 54.13 54.84 1wir s LEU 24 Cb -0.16 -3.16 -0.02 0.00 0.03 0.00 0.00 46.19 42.89 1wir s LEU 24 CO 0.10 0.22 -0.08 -0.36 0.23 0.00 0.00 176.35 176.45 1wir s PHE 25 N -1.18 0.71 0.11 0.29 0.40 -0.57 -4.93 117.98 112.81 1wir s PHE 25 Ca 0.34 -0.31 -0.30 0.00 -0.60 0.00 0.00 56.93 56.06 1wir s PHE 25 Cb -0.21 -0.43 -0.10 0.00 0.51 0.00 0.00 43.02 42.79 1wir s PHE 25 CO 0.23 -0.03 1.61 0.00 0.70 0.00 0.00 175.22 177.72 1wir h ALA 26 N 5.17 -0.66 -0.73 5.36 0.00 -1.87 0.24 119.26 126.78 1wir h ALA 26 Ca -0.33 -0.07 -0.63 0.00 0.00 0.00 0.00 54.91 53.87 1wir h ALA 26 Cb 1.19 0.59 -0.10 0.00 0.00 0.00 0.00 17.79 19.47 1wir h ALA 26 CO 0.45 -0.93 -0.46 -1.12 0.00 0.00 0.00 179.25 177.19 1wir s SER 27 N -4.71 4.29 -0.03 0.00 0.01 -1.26 -4.16 113.70 107.84 1wir s SER 27 Ca -0.16 -1.43 -0.25 0.00 1.31 0.00 0.00 55.95 55.42 1wir s SER 27 Cb 0.07 0.25 -0.19 0.00 0.21 0.00 0.00 66.02 66.36 1wir s SER 27 CO 0.64 -0.84 1.18 0.00 0.41 0.00 0.00 173.24 174.63 1wir h ALA 28 N 1.24 -0.08 -0.85 1.44 0.00 -1.87 -3.23 119.26 115.92 1wir h ALA 28 Ca -0.42 -0.25 0.20 0.00 0.00 0.00 0.00 54.91 54.44 1wir h ALA 28 Cb 1.30 0.03 -0.12 0.00 0.00 0.00 0.00 17.79 19.00 1wir h ALA 28 CO 0.70 -0.28 0.33 0.93 0.00 0.00 0.00 179.25 180.92 1wir h GLU 29 N -0.60 0.36 -0.68 0.00 5.08 -1.97 0.55 114.58 117.33 1wir h GLU 29 Ca -0.01 -0.02 0.14 0.00 -1.00 0.00 0.00 59.36 58.47 1wir h GLU 29 Cb 0.52 -0.08 -0.10 0.00 0.50 0.00 0.00 28.75 29.58 1wir h GLU 29 CO 0.01 0.24 0.13 0.93 -1.00 0.00 0.00 179.01 179.33 1wir h GLU 30 N 0.38 0.23 0.63 2.33 5.08 -1.97 -1.97 114.58 119.29 1wir h GLU 30 Ca 0.51 -0.01 -0.03 0.00 -1.00 0.00 0.00 59.36 58.83 1wir h GLU 30 Cb 0.93 -0.05 0.01 0.00 0.50 0.00 0.00 28.75 30.14 1wir h GLU 30 CO -0.52 0.15 -0.30 1.15 -1.00 0.00 0.00 179.01 178.49 1wir h THR 31 N 0.24 0.00 -0.62 1.13 2.02 -0.97 -2.91 112.91 111.80 1wir h THR 31 Ca 0.37 -0.22 0.06 0.00 0.77 0.00 0.00 66.41 67.39 1wir h THR 31 Cb 0.61 0.00 -0.07 0.00 -1.74 0.00 0.00 68.15 66.94 1wir h THR 31 CO -0.48 0.00 -0.36 0.49 0.37 0.00 0.00 175.52 175.53 1wir n PHE 32 N -4.88 -0.27 -0.28 3.16 3.72 -0.91 0.73 117.46 118.73 1wir n PHE 32 Ca -0.11 0.77 0.09 0.00 -0.05 0.00 0.00 57.45 58.16 1wir n PHE 32 Cb 0.33 -0.53 0.23 0.00 -0.94 0.00 0.00 39.48 38.58 1wir n PHE 32 CO 0.00 0.00 0.00 0.77 -0.05 0.00 0.00 176.76 177.48 1wir h SER 33 N 0.00 -0.08 -0.89 4.37 0.02 -1.45 0.44 113.55 115.97 1wir h SER 33 Ca 0.10 0.19 -0.02 0.00 -0.84 0.00 0.00 61.79 61.22 1wir h SER 33 Cb 0.25 0.27 -0.04 0.00 0.14 0.00 0.00 62.40 63.02 1wir h SER 33 CO -0.58 -0.13 0.49 -0.74 -1.14 0.00 0.00 176.83 174.73 1wir h HIS 34 N 0.20 1.21 0.00 3.45 -0.00 0.52 -0.71 115.15 119.82 1wir h HIS 34 Ca 0.49 -0.03 -0.06 0.00 -0.00 0.00 0.00 60.37 60.77 1wir h HIS 34 Cb 0.93 -0.39 -0.01 0.00 -0.00 0.00 0.00 27.41 27.94 1wir h HIS 34 CO -0.30 0.83 -0.31 0.00 -0.00 0.00 0.00 177.93 178.15 1wir h LYS 36 N 0.00 0.00 0.05 0.00 1.57 0.44 0.63 116.57 119.25 1wir h LYS 36 Ca -0.00 0.00 -0.36 0.00 -1.87 0.00 0.00 60.65 58.42 1wir h LYS 36 Cb 0.92 0.00 -0.04 0.00 0.08 0.00 0.00 32.23 33.19 1wir h LYS 36 CO 0.04 0.00 -2.06 1.28 -0.57 0.00 0.00 179.45 178.14 1wir n LEU 37 N -2.88 2.44 -0.04 2.94 4.77 -0.35 -3.64 117.00 120.25 1wir n LEU 37 Ca 0.03 0.19 -0.02 0.00 -0.03 0.00 0.00 56.01 56.18 1wir n LEU 37 Cb 0.52 -0.98 -0.01 0.00 -2.33 0.00 0.00 43.42 40.62 1wir n LEU 37 CO 0.35 0.71 -0.18 -0.62 -1.33 0.00 0.00 177.39 176.32 1wir n GLU 38 N -3.76 0.23 0.00 3.23 -0.58 -0.32 -4.30 120.64 115.14 1wir n GLU 38 Ca -0.40 0.38 0.10 0.00 -0.42 0.00 0.00 57.16 56.82 1wir n GLU 38 Cb 0.93 -1.21 0.58 0.00 -0.57 0.00 0.00 31.44 31.16 1wir n GLU 38 CO 0.00 0.00 0.00 0.72 -0.48 0.00 0.00 177.13 177.37 1wir n HIS 39 N -3.45 0.00 -2.18 -0.32 8.25 -0.68 -4.84 115.22 112.01 1wir n HIS 39 Ca -0.04 0.00 -0.03 0.00 -0.26 0.00 0.00 57.72 57.40 1wir n HIS 39 Cb 0.14 -0.14 -0.00 0.00 1.12 0.00 0.00 29.99 31.11 1wir n HIS 39 CO 0.00 0.00 0.00 1.04 0.64 0.00 0.00 176.34 178.02 1wir n GLN 40 N -1.14 -2.45 -3.35 -0.41 6.02 0.20 -4.85 117.38 111.40 1wir n GLN 40 Ca 0.13 0.13 -0.44 0.00 -0.01 0.00 0.00 57.00 56.80 1wir n GLN 40 Cb 0.12 -4.54 -0.07 0.00 1.02 0.00 0.00 30.24 26.76 1wir n GLN 40 CO 0.00 0.00 0.00 0.12 -1.01 0.00 0.00 177.06 176.17 1wir s PHE 41 N -1.93 3.21 -0.45 1.08 5.36 0.08 -4.88 117.98 120.46 1wir s PHE 41 Ca 0.00 -0.85 -0.29 0.00 -0.96 0.00 0.00 56.93 54.83 1wir s PHE 41 Cb 0.00 -3.23 0.03 0.00 -0.34 0.00 0.00 43.02 39.48 1wir s PHE 41 CO 0.00 -0.84 1.15 -0.80 -1.46 0.00 0.00 175.22 173.27 1wir s ASN 42 N 2.60 6.66 0.12 6.13 -0.87 -1.26 -3.98 114.94 124.33 1wir s ASN 42 Ca 0.06 0.58 -0.19 0.00 -1.57 0.00 0.00 52.86 51.75 1wir s ASN 42 Cb -0.23 -2.55 -0.05 0.00 -0.02 0.00 0.00 41.25 38.39 1wir s ASN 42 CO 0.08 -1.21 1.72 -0.29 -2.57 0.00 0.00 177.10 174.83 1wir h ILE 43 N 6.17 1.11 0.14 0.60 6.09 -1.96 -3.12 117.51 126.55 1wir h ILE 43 Ca -0.23 -0.29 0.01 0.00 -1.37 0.00 0.00 64.86 62.97 1wir h ILE 43 Cb 1.06 0.85 -0.03 0.00 0.47 0.00 0.00 36.82 39.17 1wir h ILE 43 CO 1.11 0.11 -0.42 -0.78 -3.07 0.00 0.00 178.15 175.11 1wir h ASP 44 N 0.30 -1.24 -0.90 2.19 3.58 -2.01 -1.97 116.42 116.39 1wir h ASP 44 Ca 0.09 0.13 0.24 0.00 0.42 0.00 0.00 57.03 57.91 1wir h ASP 44 Cb 0.05 0.45 -0.17 0.00 1.72 0.00 0.00 39.33 41.38 1wir h ASP 44 CO -0.02 -0.45 0.00 -1.20 -2.88 0.00 0.00 179.24 174.69 1wir n SER 45 N -4.83 -0.12 -0.12 2.28 7.64 -1.21 0.13 113.62 117.39 1wir n SER 45 Ca -0.07 1.53 -0.05 0.00 1.01 0.00 0.00 58.87 61.29 1wir n SER 45 Cb 0.33 -0.55 0.03 0.00 -1.01 0.00 0.00 64.21 63.01 1wir n SER 45 CO 0.00 0.00 0.00 0.24 -3.01 0.00 0.00 175.04 172.27 1wir h MET 46 N 0.00 0.26 -0.82 1.43 2.86 -1.30 0.70 114.93 118.06 1wir h MET 46 Ca 0.54 -0.02 0.11 0.00 -2.06 0.00 0.00 59.70 58.27 1wir h MET 46 Cb 1.09 -0.06 -0.06 0.00 0.06 0.00 0.00 31.60 32.64 1wir h MET 46 CO -0.85 0.17 0.53 0.28 1.06 0.00 0.00 176.91 178.10 1wir h VAL 47 N 0.26 0.91 0.00 -2.22 2.07 0.13 -2.05 116.25 115.35 1wir h VAL 47 Ca 0.19 -0.24 0.00 0.00 0.82 0.00 0.00 66.70 67.47 1wir h VAL 47 Cb 0.21 0.15 0.00 0.00 -1.52 0.00 0.00 31.29 30.13 1wir h VAL 47 CO -0.22 0.13 -0.04 0.45 0.02 0.00 0.00 177.57 177.91 1wir h HIS 48 N 0.70 0.00 -0.41 1.57 3.86 -0.71 0.57 115.15 120.73 1wir h HIS 48 Ca 0.39 0.00 0.04 0.00 -1.16 0.00 0.00 60.37 59.63 1wir h HIS 48 Cb 0.54 0.00 -0.05 0.00 1.06 0.00 0.00 27.41 28.96 1wir h HIS 48 CO -0.00 0.00 -0.24 1.17 0.86 0.00 0.00 177.93 179.72 1wir n LYS 49 N -2.54 -0.18 0.11 2.45 0.00 0.23 0.67 118.16 118.91 1wir n LYS 49 Ca -0.01 0.89 -0.02 0.00 0.00 0.00 0.00 58.31 59.18 1wir n LYS 49 Cb 0.02 -1.31 0.04 0.00 0.00 0.00 0.00 35.03 33.78 1wir n LYS 49 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.40 177.85 1wir h HIS 50 N 0.00 0.00 -0.85 5.64 3.86 -1.56 -3.48 115.15 118.76 1wir h HIS 50 Ca 0.07 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.28 1wir h HIS 50 Cb 0.17 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.64 1wir h HIS 50 CO -0.67 0.71 0.00 0.41 0.86 0.00 0.00 177.93 179.24 1wir n GLY 51 N 0.95 0.92 3.69 2.45 0.00 0.21 -5.01 105.19 108.41 1wir n GLY 51 Ca 0.00 -0.52 -0.42 0.00 0.00 0.00 0.00 46.02 45.08 1wir n GLY 51 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1wir s LEU 52 N -0.85 4.36 0.00 0.99 1.43 0.18 -4.94 118.68 119.86 1wir s LEU 52 Ca 0.00 2.47 0.02 0.00 -1.03 0.00 0.00 54.13 55.60 1wir s LEU 52 Cb 0.00 -3.57 0.06 0.00 0.03 0.00 0.00 46.19 42.71 1wir s LEU 52 CO 0.00 -0.87 0.44 -1.84 0.23 0.00 0.00 176.35 174.31 1wir n GLU 53 N 5.41 0.54 -0.23 1.70 0.28 -1.26 -4.49 120.64 122.60 1wir n GLU 53 Ca 0.15 -1.42 -0.06 0.00 -0.16 0.00 0.00 57.16 55.68 1wir n GLU 53 Cb 0.40 -0.22 -0.05 0.00 1.43 0.00 0.00 31.44 33.00 1wir n GLU 53 CO 0.00 0.00 0.00 0.34 -0.16 0.00 0.00 177.13 177.31 1wir n PHE 54 N -1.85 -0.24 0.00 -1.84 7.35 -1.26 -0.40 117.46 119.23 1wir n PHE 54 Ca 0.08 0.67 -0.13 0.00 -0.76 0.00 0.00 57.45 57.32 1wir n PHE 54 Cb 0.29 -0.51 -0.10 0.00 0.35 0.00 0.00 39.48 39.51 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 -0.07 -0.92 -5.13 0.05 -2.00 -3.27 116.97 105.62 1wir h TYR 55 Ca 0.09 -0.00 0.09 0.00 0.05 0.00 0.00 58.73 58.96 1wir h TYR 55 Cb 0.22 0.02 -0.12 0.00 1.01 0.00 0.00 36.73 37.87 1wir h TYR 55 CO -0.72 0.46 -0.52 0.41 -1.05 0.00 0.00 178.16 176.74 1wir n GLY 56 N 0.45 -2.34 0.27 3.88 0.00 -0.35 0.38 105.19 107.49 1wir n GLY 56 Ca -0.09 1.09 0.06 0.00 0.00 0.00 0.00 46.02 47.09 1wir n GLY 56 CO 0.00 0.00 0.00 -1.82 0.00 0.00 0.00 173.32 171.50 1wir h TYR 57 N 0.00 0.29 -0.93 1.61 3.20 -0.83 0.15 116.97 120.46 1wir h TYR 57 Ca 0.17 0.04 0.13 0.00 3.14 0.00 0.00 58.73 62.21 1wir h TYR 57 Cb 0.40 -0.01 -0.09 0.00 1.54 0.00 0.00 36.73 38.57 1wir h TYR 57 CO -0.93 -0.09 0.55 0.82 -1.64 0.00 0.00 178.16 176.87 1wir h ILE 58 N 0.27 0.84 -0.18 1.81 2.04 -0.12 -0.08 117.51 122.10 1wir h ILE 58 Ca 0.43 -0.29 -0.12 0.00 1.00 0.00 0.00 64.86 65.88 1wir h ILE 58 Cb 0.73 -0.06 -0.01 0.00 -0.74 0.00 0.00 36.82 36.74 1wir h ILE 58 CO -0.52 0.15 -0.40 0.11 0.00 0.00 0.00 178.15 177.49 1wir h LYS 59 N 0.83 0.41 -0.13 2.37 1.57 -0.06 -2.77 116.57 118.79 1wir h LYS 59 Ca 0.48 -0.20 0.00 0.00 -1.87 0.00 0.00 60.65 59.06 1wir h LYS 59 Cb 0.56 -0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.86 1wir h LYS 59 CO -0.30 0.75 0.08 1.25 -0.57 0.00 0.00 179.45 180.66 1wir h LEU 60 N 0.34 0.13 0.38 2.94 7.12 -0.06 0.21 115.31 126.38 1wir h LEU 60 Ca 0.03 -0.00 -0.02 0.00 0.13 0.00 0.00 57.88 58.02 1wir h LEU 60 Cb 0.86 -0.03 0.00 0.00 -0.53 0.00 0.00 40.66 40.96 1wir h LEU 60 CO 0.07 0.10 -0.18 0.40 -0.13 0.00 0.00 178.44 178.70 1wir h ILE 61 N 0.16 0.00 -1.01 4.05 1.08 -1.37 -3.05 117.51 117.37 1wir h ILE 61 Ca 0.05 -0.05 0.23 0.00 -0.39 0.00 0.00 64.86 64.70 1wir h ILE 61 Cb -0.01 0.00 -0.11 0.00 -3.07 0.00 0.00 36.82 33.62 1wir h ILE 61 CO -0.02 0.00 0.61 0.78 -0.69 0.00 0.00 178.15 178.84 1wir h ASN 62 N -0.56 0.68 -0.74 1.72 2.35 -1.54 0.09 115.58 117.58 1wir h ASN 62 Ca -0.05 0.11 0.17 0.00 -0.55 0.00 0.00 56.30 55.98 1wir h ASN 62 Cb 0.39 -0.00 -0.12 0.00 0.05 0.00 0.00 38.32 38.64 1wir h ASN 62 CO 0.09 0.17 0.14 0.15 -1.65 0.00 0.00 177.43 176.32 1wir h PHE 63 N 0.62 0.20 -0.01 1.19 3.57 -0.50 0.28 116.94 122.29 1wir h PHE 63 Ca 0.61 0.05 -0.14 0.00 3.53 0.00 0.00 57.97 62.02 1wir h PHE 63 Cb 1.14 0.03 -0.02 0.00 2.79 0.00 0.00 35.95 39.89 1wir h PHE 63 CO -0.00 -0.13 -0.63 0.82 -2.23 0.00 0.00 178.31 176.13 1wir h ILE 64 N 0.22 1.45 -0.25 1.41 2.04 -0.88 0.66 117.51 122.15 1wir h ILE 64 Ca 0.42 -2.15 -0.07 0.00 1.00 0.00 0.00 64.86 64.06 1wir h ILE 64 Cb 0.74 2.15 -0.01 0.00 -0.74 0.00 0.00 36.82 38.95 1wir h ILE 64 CO -0.55 0.62 -0.15 0.03 0.00 0.00 0.00 178.15 178.09 1wir h ARG 65 N 0.03 0.43 0.00 2.37 2.47 -0.11 0.53 114.38 120.10 1wir h ARG 65 Ca -0.01 -0.13 -0.08 0.00 -1.26 0.00 0.00 59.98 58.51 1wir h ARG 65 Cb 1.12 -0.04 -0.01 0.00 -1.65 0.00 0.00 29.97 29.39 1wir h ARG 65 CO 0.08 0.58 -0.81 -0.11 0.56 0.00 0.00 179.97 180.27 1wir n LEU 66 N -4.20 1.83 0.00 3.04 0.00 -0.19 -4.57 117.00 112.92 1wir n LEU 66 Ca 0.00 0.55 -0.13 0.00 0.00 0.00 0.00 56.01 56.44 1wir n LEU 66 Cb 0.33 -0.89 -0.09 0.00 0.00 0.00 0.00 43.42 42.76 1wir n LEU 66 CO 0.40 -0.22 0.64 0.11 0.00 0.00 0.00 177.39 178.32 1wir h LYS 67 N -1.00 -0.03 -4.86 1.96 1.79 -0.96 -3.48 116.57 109.98 1wir h LYS 67 Ca -0.12 0.00 -0.26 0.00 -2.18 0.00 0.00 60.65 58.09 1wir h LYS 67 Cb 0.79 0.01 0.13 0.00 -1.58 0.00 0.00 32.23 31.58 1wir h LYS 67 CO -0.07 0.40 -0.60 0.09 -1.08 0.00 0.00 179.45 178.18 1wir n ASN 68 N -4.90 -2.12 -2.52 0.86 3.02 0.19 -5.02 115.26 104.76 1wir n ASN 68 Ca -0.08 -0.49 -0.00 0.00 -0.03 0.00 0.00 54.58 53.98 1wir n ASN 68 Cb 0.23 -4.13 0.00 0.00 -0.61 0.00 0.00 39.78 35.27 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 -3.47 -1.05 -4.39 3.52 -0.04 -1.26 -5.06 135.00 123.25 1wir n PRO 69 Ca -0.22 -0.02 -0.32 0.00 -0.04 0.00 0.00 63.50 62.90 1wir n PRO 69 Cb 0.63 -0.02 -0.10 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 -1.02 3.65 0.11 0.52 -1.32 -1.26 -4.93 115.64 111.39 1wir s THR 70 Ca 0.01 -0.87 -0.20 0.00 -1.21 0.00 0.00 61.69 59.41 1wir s THR 70 Cb -0.00 -2.62 -0.05 0.00 -1.51 0.00 0.00 72.50 68.32 1wir s THR 70 CO 0.01 0.32 1.25 0.52 -2.21 0.00 0.00 174.62 174.51 1wir n VAL 71 N 1.32 -0.45 -0.27 5.08 0.31 -1.26 0.83 118.33 123.89 1wir n VAL 71 Ca -0.15 1.95 0.22 0.00 -0.01 0.00 0.00 64.34 66.35 1wir n VAL 71 Cb 0.52 -2.44 0.41 0.00 -0.91 0.00 0.00 33.84 31.42 1wir n VAL 71 CO 0.00 0.00 0.00 -1.84 -1.32 0.00 0.00 176.83 173.67 1wir n GLU 72 N -4.53 -0.05 0.12 5.55 0.28 -1.26 0.43 120.64 121.18 1wir n GLU 72 Ca 0.01 1.16 -0.12 0.00 -0.16 0.00 0.00 57.16 58.05 1wir n GLU 72 Cb 0.17 -2.00 -0.08 0.00 1.43 0.00 0.00 31.44 30.96 1wir n GLU 72 CO 0.00 0.00 0.00 -0.92 -0.16 0.00 0.00 177.13 176.05 1wir h TYR 73 N 0.00 -0.32 -1.03 -1.84 5.03 0.10 -2.67 116.97 116.24 1wir h TYR 73 Ca 0.63 -0.01 0.30 0.00 2.58 0.00 0.00 58.73 62.24 1wir h TYR 73 Cb 1.59 0.11 -0.04 0.00 1.55 0.00 0.00 36.73 39.93 1wir h TYR 73 CO -0.13 0.05 0.92 0.52 -1.32 0.00 0.00 178.16 178.20 1wir h MET 74 N -0.83 0.00 0.13 1.82 2.86 0.74 0.91 114.93 120.56 1wir h MET 74 Ca -0.04 0.00 -0.29 0.00 -2.06 0.00 0.00 59.70 57.31 1wir h MET 74 Cb 0.51 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.17 1wir h MET 74 CO 0.06 0.00 -1.39 -0.91 1.06 0.00 0.00 176.91 175.73 1wir h ASN 75 N 0.00 0.44 -3.43 1.22 2.35 -1.16 -3.39 115.58 111.61 1wir h ASN 75 Ca 0.49 -0.53 -0.76 0.00 -0.55 0.00 0.00 56.30 54.95 1wir h ASN 75 Cb 2.32 -0.14 -0.31 0.00 0.05 0.00 0.00 38.32 40.24 1wir h ASN 75 CO -0.01 1.42 0.26 -1.20 -1.65 0.00 0.00 177.43 176.26 1wir n SER 76 N -3.51 5.06 -4.48 5.81 7.64 0.32 -5.03 113.62 119.43 1wir n SER 76 Ca -0.13 -3.09 -0.29 0.00 1.01 0.00 0.00 58.87 56.37 1wir n SER 76 Cb 1.04 -1.25 -0.11 0.00 -1.01 0.00 0.00 64.21 62.88 1wir n SER 76 CO 0.00 0.00 0.00 -0.63 -3.01 0.00 0.00 175.04 171.40 1wir s ILE 77 N -1.41 2.80 0.33 0.44 -1.09 -1.23 -4.84 121.20 116.20 1wir s ILE 77 Ca 0.30 -1.56 0.03 0.00 -2.23 0.00 0.00 60.65 57.20 1wir s ILE 77 Cb -0.08 -2.29 -0.06 0.00 -1.58 0.00 0.00 42.46 38.46 1wir s ILE 77 CO -0.09 0.08 0.07 -0.31 -1.23 0.00 0.00 174.94 173.46 1wir s TYR 78 N -1.20 1.89 0.01 3.97 1.51 -1.26 -5.07 117.35 117.20 1wir s TYR 78 Ca 0.18 -1.03 -0.01 0.00 -1.01 0.00 0.00 57.07 55.20 1wir s TYR 78 Cb -0.10 -1.23 -0.04 0.00 -0.11 0.00 0.00 41.96 40.48 1wir s TYR 78 CO 0.10 -0.07 0.12 0.54 -1.11 0.00 0.00 175.55 175.13 1wir s ASN 79 N -3.49 5.92 0.09 2.29 2.20 -1.26 -2.30 114.94 118.39 1wir s ASN 79 Ca 0.34 0.20 -0.31 0.00 -0.94 0.00 0.00 52.86 52.15 1wir s ASN 79 Cb 0.08 -1.75 -0.07 0.00 -2.00 0.00 0.00 41.25 37.50 1wir s ASN 79 CO 0.15 0.25 1.38 -2.16 -2.94 0.00 0.00 177.10 173.78 1wir s PRO 80 N -1.91 4.32 0.46 3.55 0.04 -1.26 -5.09 135.00 135.11 1wir s PRO 80 Ca 0.26 2.03 -0.20 0.00 0.04 0.00 0.00 61.00 63.13 1wir s PRO 80 Cb -0.12 -3.32 -0.14 0.00 0.04 0.00 0.00 34.50 30.96 1wir s PRO 80 CO 0.17 -0.45 0.21 1.33 0.04 0.00 0.00 177.00 178.30 1wir n VAL 81 N 4.08 0.99 0.97 -0.36 0.24 -0.97 -4.78 118.33 118.51 1wir n VAL 81 Ca 0.12 -0.50 0.07 0.00 -2.04 0.00 0.00 64.34 61.99 1wir n VAL 81 Cb 0.43 -0.23 0.41 0.00 -1.47 0.00 0.00 33.84 32.99 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 1.00 0.49 -0.36 7.34 -0.04 -1.26 -2.17 135.00 139.99 1wir n PRO 82 Ca 0.11 0.00 0.07 0.00 -0.04 0.00 0.00 63.50 63.64 1wir n PRO 82 Cb 0.43 -1.45 0.18 0.00 -0.04 0.00 0.00 33.50 32.62 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 -0.95 0.11 -0.00 0.54 2.14 -1.26 -4.69 117.44 113.33 1wir n TRP 83 Ca 0.10 -1.25 -0.03 0.00 2.07 0.00 0.00 57.50 58.40 1wir n TRP 83 Cb 0.05 -0.22 0.16 0.00 -0.81 0.00 0.00 31.31 30.48 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 -1.24 2.41 -3.87 -2.67 -0.58 -0.92 -4.71 120.64 109.05 1wir n GLU 84 Ca 0.19 -1.53 -0.35 0.00 -0.42 0.00 0.00 57.16 55.04 1wir n GLU 84 Cb 0.70 -1.76 -0.10 0.00 -0.57 0.00 0.00 31.44 29.70 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 -1.77 3.95 0.21 3.49 -0.14 -1.26 -4.99 119.74 119.23 1wir s LYS 85 Ca 0.27 -0.34 -0.09 0.00 -1.36 0.00 0.00 55.97 54.45 1wir s LYS 85 Cb 0.22 -3.32 0.31 0.00 -1.68 0.00 0.00 37.83 33.36 1wir s LYS 85 CO 0.07 0.15 1.70 0.38 -0.76 0.00 0.00 175.35 176.89 1wir h ASP 86 N 7.15 0.00 -0.99 2.83 2.03 -2.02 -1.02 116.42 124.40 1wir h ASP 86 Ca -0.37 0.12 0.34 0.00 -0.73 0.00 0.00 57.03 56.38 1wir h ASP 86 Cb 1.17 0.16 -0.18 0.00 -0.83 0.00 0.00 39.33 39.65 1wir h ASP 86 CO 0.67 0.01 0.28 1.05 -1.03 0.00 0.00 179.24 180.22 1wir h GLU 87 N 0.26 0.02 -0.89 4.15 4.11 -1.98 1.10 114.58 121.36 1wir h GLU 87 Ca 0.33 -0.00 0.11 0.00 0.07 0.00 0.00 59.36 59.87 1wir h GLU 87 Cb 0.50 -0.00 -0.08 0.00 0.50 0.00 0.00 28.75 29.66 1wir h GLU 87 CO -0.42 0.01 0.52 1.88 0.07 0.00 0.00 179.01 181.07 1wir h TYR 88 N 0.02 0.94 -0.88 2.06 0.05 -1.55 -1.86 116.97 115.74 1wir h TYR 88 Ca 0.72 0.03 0.34 0.00 0.05 0.00 0.00 58.73 59.87 1wir h TYR 88 Cb 1.72 -0.29 -0.16 0.00 1.01 0.00 0.00 36.73 39.01 1wir h TYR 88 CO -0.25 0.35 0.36 1.28 -1.05 0.00 0.00 178.16 178.85 1wir n LEU 89 N -4.72 0.20 -4.77 3.88 4.77 0.38 -4.36 117.00 112.38 1wir n LEU 89 Ca 0.16 1.47 -0.40 0.00 -0.03 0.00 0.00 56.01 57.20 1wir n LEU 89 Cb 0.33 -0.67 -0.01 0.00 -2.33 0.00 0.00 43.42 40.74 1wir n LEU 89 CO 0.26 -1.60 1.03 -0.54 -1.33 0.00 0.00 177.39 175.20 1wir s LYS 90 N -5.47 4.10 -0.54 3.23 3.01 -0.70 -4.89 119.74 118.48 1wir s LYS 90 Ca -0.09 2.32 -0.27 0.00 -1.01 0.00 0.00 55.97 56.92 1wir s LYS 90 Cb 0.29 -2.90 -0.02 0.00 -1.01 0.00 0.00 37.83 34.19 1wir s LYS 90 CO 0.69 -0.44 1.82 -1.25 0.51 0.00 0.00 175.35 176.68 1wir s PRO 91 N -2.08 2.83 0.54 -1.68 0.04 -1.26 -4.84 135.00 128.54 1wir s PRO 91 Ca 0.54 0.79 0.32 0.00 0.04 0.00 0.00 61.00 62.69 1wir s PRO 91 Cb -0.42 -4.33 1.49 0.00 0.04 0.00 0.00 34.50 31.29 1wir s PRO 91 CO 0.55 -2.49 1.87 0.28 0.04 0.00 0.00 177.00 177.25 1wir h VAL 92 N 6.84 0.51 -4.38 -0.36 2.07 -1.91 -3.42 116.25 115.61 1wir h VAL 92 Ca -0.28 0.00 -0.23 0.00 0.82 0.00 0.00 66.70 67.02 1wir h VAL 92 Cb 1.16 0.52 -0.04 0.00 -1.52 0.00 0.00 31.29 31.41 1wir h VAL 92 CO 1.17 0.00 -0.16 0.18 0.02 0.00 0.00 177.57 178.78 1wir n LEU 93 N -4.21 0.00 -4.93 2.57 4.32 -1.26 -5.08 117.00 108.41 1wir n LEU 93 Ca 0.19 -1.10 -0.29 0.00 -0.02 0.00 0.00 56.01 54.79 1wir n LEU 93 Cb 1.00 0.12 -0.04 0.00 -1.62 0.00 0.00 43.42 42.88 1wir n LEU 93 CO 0.38 -0.17 -0.13 -1.83 -1.22 0.00 0.00 177.39 174.42 1wir s GLU 94 N -2.64 3.43 -0.95 3.23 1.03 -1.26 -4.53 118.70 117.00 1wir s GLU 94 Ca 0.00 -0.49 -0.12 0.00 0.03 0.00 0.00 54.97 54.40 1wir s GLU 94 Cb -0.00 -3.01 0.02 0.00 -0.80 0.00 0.00 34.13 30.33 1wir s GLU 94 CO 0.00 0.58 0.22 -3.47 -1.33 0.00 0.00 175.26 171.26 1wir n ASP 95 N 0.03 -0.97 -4.55 0.83 2.03 -1.26 -4.71 116.55 107.95 1wir n ASP 95 Ca -0.06 -0.89 -0.33 0.00 0.52 0.00 0.00 54.79 54.03 1wir n ASP 95 Cb 0.52 -1.08 -0.04 0.00 -0.72 0.00 0.00 41.12 39.80 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 -3.97 5.20 0.42 1.67 1.01 -1.26 -4.81 116.67 114.92 1wir s ASP 96 Ca 0.16 -0.08 0.17 0.00 0.71 0.00 0.00 52.55 53.51 1wir s ASP 96 Cb -0.09 -2.54 1.07 0.00 1.01 0.00 0.00 42.92 42.37 1wir s ASP 96 CO 0.68 -2.55 1.88 -0.07 0.21 0.00 0.00 175.17 175.32 1wir h LEU 97 N 17.11 0.40 0.32 1.23 3.38 -1.90 -1.61 115.31 134.24 1wir h LEU 97 Ca -0.11 0.03 -0.02 0.00 0.09 0.00 0.00 57.88 57.88 1wir h LEU 97 Cb 1.10 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 41.81 1wir h LEU 97 CO 1.21 0.18 -0.15 -0.07 0.09 0.00 0.00 178.44 179.70 1wir h LEU 98 N 0.41 -0.36 -2.03 1.67 3.38 -1.95 -2.13 115.31 114.31 1wir h LEU 98 Ca 0.43 -0.03 0.11 0.00 0.09 0.00 0.00 57.88 58.48 1wir h LEU 98 Cb 1.04 0.09 -0.02 0.00 0.09 0.00 0.00 40.66 41.87 1wir h LEU 98 CO -0.15 -0.20 0.29 -0.07 0.09 0.00 0.00 178.44 178.40 1wir h LEU 99 N -0.49 0.00 -3.87 1.67 4.07 -1.70 0.17 115.31 115.15 1wir h LEU 99 Ca -0.04 0.00 -0.39 0.00 0.08 0.00 0.00 57.88 57.53 1wir h LEU 99 Cb 0.37 0.00 -0.23 0.00 1.08 0.00 0.00 40.66 41.88 1wir h LEU 99 CO 0.07 0.00 0.48 0.00 -1.08 0.00 0.00 178.44 177.91 1wir n GLN 100 N -4.31 2.78 -2.95 1.13 10.64 -0.91 -4.94 117.38 118.82 1wir n GLN 100 Ca 0.06 -3.05 -0.31 0.00 -1.83 0.00 0.00 57.00 51.87 1wir n GLN 100 Cb 0.48 -2.18 -0.04 0.00 -0.86 0.00 0.00 30.24 27.64 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 -3.19 3.44 -1.30 2.61 5.36 0.59 -4.97 117.98 120.52 1wir s PHE 101 Ca 0.56 1.09 -0.18 0.00 -0.96 0.00 0.00 56.93 57.44 1wir s PHE 101 Cb 0.46 -2.47 0.04 0.00 -0.34 0.00 0.00 43.02 40.71 1wir s PHE 101 CO 0.11 -0.04 1.86 -0.25 -1.46 0.00 0.00 175.22 175.44 1wir n ASP 102 N -1.00 4.43 0.10 6.13 8.00 -1.26 -4.69 116.55 128.26 1wir n ASP 102 Ca 0.03 -2.87 0.13 0.00 0.71 0.00 0.00 54.79 52.78 1wir n ASP 102 Cb 0.54 -1.71 0.44 0.00 -0.02 0.00 0.00 41.12 40.37 1wir n ASP 102 CO 0.00 0.00 0.00 0.55 -0.39 0.00 0.00 177.20 177.36 1wir n VAL 103 N 6.31 0.62 -0.22 2.53 3.14 -1.26 -3.45 118.33 126.00 1wir n VAL 103 Ca 0.49 -0.12 -0.06 0.00 -2.96 0.00 0.00 64.34 61.69 1wir n VAL 103 Cb 0.45 -0.74 0.04 0.00 -1.06 0.00 0.00 33.84 32.52 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 0.86 -0.66 1.45 5.08 -1.95 -1.84 114.58 117.52 1wir h GLU 104 Ca 0.00 -0.08 0.19 0.00 -1.00 0.00 0.00 59.36 58.47 1wir h GLU 104 Cb 0.61 -0.18 -0.03 0.00 0.50 0.00 0.00 28.75 29.66 1wir h GLU 104 CO 0.00 0.62 0.58 0.22 -1.00 0.00 0.00 179.01 179.43 1wir h ASP 105 N 0.85 0.00 0.12 1.42 3.58 -1.97 0.42 116.42 120.84 1wir h ASP 105 Ca 0.22 0.00 -0.10 0.00 0.42 0.00 0.00 57.03 57.57 1wir h ASP 105 Cb -0.01 0.00 -0.01 0.00 1.72 0.00 0.00 39.33 41.03 1wir h ASP 105 CO -0.04 0.00 -0.34 -0.07 -2.88 0.00 0.00 179.24 175.90 1wir h LEU 106 N 0.00 0.34 -9.10 2.28 3.38 -1.54 -3.42 115.31 107.25 1wir h LEU 106 Ca 0.31 -0.13 -0.57 0.00 0.09 0.00 0.00 57.88 57.58 1wir h LEU 106 Cb 1.47 -0.09 -0.05 0.00 0.09 0.00 0.00 40.66 42.08 1wir h LEU 106 CO -0.00 0.66 0.88 -0.31 0.09 0.00 0.00 178.44 179.76 1wir s TYR 107 N -4.29 2.99 -0.79 1.13 2.02 0.15 -4.98 117.35 113.57 1wir s TYR 107 Ca -0.05 1.14 -0.02 0.00 -0.37 0.00 0.00 57.07 57.77 1wir s TYR 107 Cb 0.14 -3.48 0.20 0.00 -0.40 0.00 0.00 41.96 38.41 1wir s TYR 107 CO 0.78 -1.30 0.65 -1.21 -1.57 0.00 0.00 175.55 172.89 1wir s GLU 108 N 3.48 2.98 0.02 -0.62 0.41 -1.26 -5.01 118.70 118.70 1wir s GLU 108 Ca 0.51 -3.05 -0.00 0.00 -0.41 0.00 0.00 54.97 52.02 1wir s GLU 108 Cb -0.19 -3.84 0.00 0.00 -1.78 0.00 0.00 34.13 28.33 1wir s GLU 108 CO 0.13 -1.24 0.02 -0.35 -0.49 0.00 0.00 175.26 173.33 1wir n PRO 109 N 2.67 -1.05 -3.85 0.39 -0.04 -1.26 -5.01 135.00 126.85 1wir n PRO 109 Ca 0.17 -0.03 -0.28 0.00 -0.04 0.00 0.00 63.50 63.32 1wir n PRO 109 Cb 0.37 -0.03 -0.11 0.00 -0.04 0.00 0.00 33.50 33.69 1wir n PRO 109 CO 0.00 0.00 0.00 0.28 -0.04 0.00 0.00 175.50 175.74 1wir n VAL 110 N -2.55 1.76 -3.15 0.52 0.31 -1.26 -4.98 118.33 108.99 1wir n VAL 110 Ca 0.00 -4.92 0.05 0.00 -0.01 0.00 0.00 64.34 59.47 1wir n VAL 110 Cb 0.01 -2.19 -0.01 0.00 -0.91 0.00 0.00 33.84 30.74 1wir n VAL 110 CO 0.00 0.00 0.00 -0.55 -1.32 0.00 0.00 176.83 174.96 1wir s SER 111 N -1.53 -0.58 -0.29 4.52 0.15 -1.26 -5.16 113.70 109.54 1wir s SER 111 Ca 0.26 0.27 -0.19 0.00 0.70 0.00 0.00 55.95 57.00 1wir s SER 111 Cb -0.03 1.45 0.15 0.00 -1.71 0.00 0.00 66.02 65.89 1wir s SER 111 CO -0.16 -0.11 1.06 0.28 1.20 0.00 0.00 173.24 175.52 1wir s THR 112 N 2.94 0.00 -2.00 6.45 -1.32 -1.26 -5.01 115.64 115.44 1wir s THR 112 Ca 0.08 0.00 0.12 0.00 -1.21 0.00 0.00 61.69 60.68 1wir s THR 112 Cb -0.09 -1.00 0.35 0.00 -1.51 0.00 0.00 72.50 70.26 1wir s THR 112 CO -0.15 0.00 1.17 -0.81 -2.21 0.00 0.00 174.62 172.62 1wir n PRO 113 N 3.12 0.49 -0.81 7.08 -0.04 -1.26 -4.89 135.00 138.69 1wir n PRO 113 Ca -0.16 0.00 -0.26 0.00 -0.04 0.00 0.00 63.50 63.03 1wir n PRO 113 Cb 0.57 -1.40 -0.00 0.00 -0.04 0.00 0.00 33.50 32.63 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 -0.90 -1.17 -3.99 0.54 7.35 -1.26 -4.97 117.46 113.06 1wir n PHE 114 Ca 0.09 0.41 -0.13 0.00 -0.76 0.00 0.00 57.45 57.06 1wir n PHE 114 Cb 0.04 -1.11 -0.01 0.00 0.35 0.00 0.00 39.48 38.75 1wir n PHE 114 CO 0.00 0.00 0.00 -1.13 -0.76 0.00 0.00 176.76 174.87 1wir n SER 115 N 1.41 -1.69 -3.73 -2.13 3.41 -1.26 -5.12 113.62 104.52 1wir n SER 115 Ca 0.07 -2.84 -0.28 0.00 -0.26 0.00 0.00 58.87 55.56 1wir n SER 115 Cb 0.23 3.01 -0.11 0.00 -0.26 0.00 0.00 64.21 67.08 1wir n SER 115 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 1wir s SER 116 N -3.18 3.69 0.00 4.04 0.01 -1.26 -4.92 113.70 112.08 1wir s SER 116 Ca 0.25 -3.53 0.00 0.00 1.31 0.00 0.00 55.95 53.98 1wir s SER 116 Cb -0.02 -1.23 0.00 0.00 0.21 0.00 0.00 66.02 64.98 1wir s SER 116 CO 0.18 -0.12 0.00 0.61 0.41 0.00 0.00 173.24 174.32 1wir n GLY 117 N 2.34 -1.55 0.07 3.44 0.00 -1.26 -5.07 105.19 103.16 1wir n GLY 117 Ca 0.22 0.69 -0.13 0.00 0.00 0.00 0.00 46.02 46.80 1wir n GLY 117 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1wir h PRO 118 N 0.00 -0.05 -1.57 1.61 0.13 -2.03 -3.49 132.00 126.61 1wir h PRO 118 Ca 0.00 0.00 0.30 0.00 -0.87 0.00 0.00 66.00 65.43 1wir h PRO 118 Cb 0.00 0.01 -0.12 0.00 0.13 0.00 0.00 31.00 31.02 1wir h PRO 118 CO 0.00 0.42 0.78 -1.54 -0.23 0.00 0.00 178.00 177.43 1wir s SER 119 N -5.62 -0.09 -0.26 1.44 1.04 -1.26 -5.08 113.70 103.87 1wir s SER 119 Ca -0.16 -0.15 -0.16 0.00 0.48 0.00 0.00 55.95 55.97 1wir s SER 119 Cb 0.02 0.20 -0.13 0.00 0.10 0.00 0.00 66.02 66.20 1wir s SER 119 CO 0.65 -0.37 -0.23 -1.20 0.98 0.00 0.00 173.24 173.07 1wir n SER 120 N -0.43 1.93 -0.27 7.02 7.64 -1.26 -5.27 113.62 122.99 1wir n SER 120 Ca -0.07 0.36 0.15 0.00 1.01 0.00 0.00 58.87 60.32 1wir n SER 120 Cb 0.62 -0.85 0.72 0.00 -1.01 0.00 0.00 64.21 63.69 1wir n SER 120 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64