#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 6.15 -0.35 1.61 0.01 -1.26 -5.02 113.70 114.84 1wir s SER 2 Ca 0.00 1.07 -0.27 0.00 1.31 0.00 0.00 55.95 58.06 1wir s SER 2 Cb 0.00 -2.25 0.01 0.00 0.21 0.00 0.00 66.02 63.99 1wir s SER 2 CO 0.00 -0.75 0.97 -0.55 0.41 0.00 0.00 173.24 173.32 1wir s SER 3 N -4.16 6.76 -0.74 2.44 0.15 -1.26 -4.94 113.70 111.95 1wir s SER 3 Ca 0.51 0.74 -0.24 0.00 0.70 0.00 0.00 55.95 57.65 1wir s SER 3 Cb -0.11 -2.49 -0.15 0.00 -1.71 0.00 0.00 66.02 61.57 1wir s SER 3 CO 0.48 -0.86 2.41 0.61 1.20 0.00 0.00 173.24 177.09 1wir n GLY 4 N 4.22 -0.11 3.64 9.45 0.00 -1.26 -4.88 105.19 116.25 1wir n GLY 4 Ca 0.09 0.46 -0.43 0.00 0.00 0.00 0.00 46.02 46.13 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 9.89 6.91 0.05 1.61 0.15 -1.26 -4.84 113.70 126.21 1wir s SER 5 Ca 1.03 1.27 0.00 0.00 0.70 0.00 0.00 55.95 58.95 1wir s SER 5 Cb -0.32 -2.54 0.00 0.00 -1.71 0.00 0.00 66.02 61.44 1wir s SER 5 CO 0.23 -0.86 0.00 -0.24 1.20 0.00 0.00 173.24 173.57 1wir n SER 6 N 6.89 0.45 0.27 5.45 2.88 -1.26 -4.90 113.62 123.40 1wir n SER 6 Ca 0.13 0.08 -0.11 0.00 -1.33 0.00 0.00 58.87 57.64 1wir n SER 6 Cb 0.46 -0.12 -0.05 0.00 -0.75 0.00 0.00 64.21 63.75 1wir n SER 6 CO 0.00 0.00 0.00 1.23 -1.23 0.00 0.00 175.04 175.04 1wir h GLY 7 N 0.00 -0.75 -1.66 0.46 0.00 -2.03 -3.45 103.07 95.64 1wir h GLY 7 Ca 0.00 0.28 -0.53 0.00 0.00 0.00 0.00 47.33 47.08 1wir h GLY 7 CO 0.00 -0.27 -0.01 1.18 0.00 0.00 0.00 176.54 177.44 1wir n GLU 8 N -4.81 -0.17 -2.26 4.80 4.71 -1.26 -4.95 120.64 116.69 1wir n GLU 8 Ca -0.09 0.01 -0.36 0.00 -0.01 0.00 0.00 57.16 56.71 1wir n GLU 8 Cb 0.28 -2.21 -0.01 0.00 -1.01 0.00 0.00 31.44 28.50 1wir n GLU 8 CO 0.00 0.00 0.00 -1.25 0.09 0.00 0.00 177.13 175.97 1wir s PRO 9 N -4.06 3.63 -0.46 3.49 0.04 -1.26 -4.91 135.00 131.46 1wir s PRO 9 Ca 0.66 1.72 -0.27 0.00 0.04 0.00 0.00 61.00 63.15 1wir s PRO 9 Cb -0.25 -2.27 -0.06 0.00 0.04 0.00 0.00 34.50 31.96 1wir s PRO 9 CO 0.58 -0.65 2.25 0.00 0.04 0.00 0.00 177.00 179.23 1wir s ALA 10 N -1.62 1.95 -0.26 8.56 0.00 -1.26 -4.89 121.76 124.24 1wir s ALA 10 Ca 0.67 0.04 -0.15 0.00 0.00 0.00 0.00 51.96 52.51 1wir s ALA 10 Cb -0.27 -4.28 0.07 0.00 0.00 0.00 0.00 23.12 18.64 1wir s ALA 10 CO 0.32 -4.02 0.63 -1.01 0.00 0.00 0.00 175.76 171.68 1wir s HIS 11 N 10.81 -0.95 0.31 0.00 3.76 -1.26 -5.18 115.29 122.78 1wir s HIS 11 Ca 0.92 1.94 -0.02 0.00 -0.15 0.00 0.00 55.06 57.75 1wir s HIS 11 Cb -0.19 0.53 -0.01 0.00 1.11 0.00 0.00 32.58 34.02 1wir s HIS 11 CO 0.27 -0.48 0.38 0.20 -0.85 0.00 0.00 174.74 174.27 1wir s GLY 12 N 1.48 1.51 -0.06 -2.22 0.00 -1.26 -5.03 107.32 101.74 1wir s GLY 12 Ca -0.09 -1.57 -0.01 0.00 0.00 0.00 0.00 44.72 43.05 1wir s GLY 12 CO -0.17 -1.10 2.34 -0.96 0.00 0.00 0.00 173.10 173.21 1wir n ARG 13 N -0.50 1.36 -3.57 2.90 1.85 -1.26 -4.84 116.66 112.59 1wir n ARG 13 Ca 0.02 -0.51 -0.38 0.00 -1.00 0.00 0.00 57.85 55.98 1wir n ARG 13 Cb 0.62 -1.32 -0.11 0.00 -1.05 0.00 0.00 32.46 30.60 1wir n ARG 13 CO 0.00 0.00 0.00 -1.14 -0.01 0.00 0.00 177.63 176.48 1wir s GLN 14 N -0.14 3.94 -0.04 2.89 2.00 -1.26 -5.07 119.66 121.98 1wir s GLN 14 Ca 0.19 -0.30 -0.11 0.00 -2.00 0.00 0.00 55.36 53.15 1wir s GLN 14 Cb 0.11 -3.66 0.02 0.00 0.80 0.00 0.00 33.01 30.27 1wir s GLN 14 CO -0.01 -0.20 0.25 -1.01 -0.50 0.00 0.00 175.29 173.82 1wir s HIS 15 N 1.79 -0.17 -0.10 1.67 3.76 -1.26 -4.40 115.29 116.57 1wir s HIS 15 Ca 0.08 0.34 0.03 0.00 -0.15 0.00 0.00 55.06 55.36 1wir s HIS 15 Cb -0.16 0.06 0.01 0.00 1.11 0.00 0.00 32.58 33.60 1wir s HIS 15 CO 0.11 -0.27 -0.20 -0.08 -0.85 0.00 0.00 174.74 173.45 1wir s THR 16 N -0.76 1.82 0.86 1.30 -1.32 0.47 -4.83 115.64 113.17 1wir s THR 16 Ca -0.09 -0.86 -0.11 0.00 -1.21 0.00 0.00 61.69 59.42 1wir s THR 16 Cb -0.05 -1.60 0.11 0.00 -1.51 0.00 0.00 72.50 69.45 1wir s THR 16 CO 0.02 0.51 1.09 -2.16 -2.21 0.00 0.00 174.62 171.87 1wir s PRO 17 N 0.60 1.58 0.66 7.08 0.04 -1.26 -0.66 135.00 143.04 1wir s PRO 17 Ca -0.14 0.93 -0.11 0.00 0.04 0.00 0.00 61.00 61.72 1wir s PRO 17 Cb -0.17 -1.84 -0.02 0.00 0.04 0.00 0.00 34.50 32.52 1wir s PRO 17 CO 0.04 -2.05 1.05 0.00 0.04 0.00 0.00 177.00 176.08 1wir h LEU 19 N -0.48 0.56 0.08 0.00 -0.00 -1.93 -3.39 115.31 110.15 1wir h LEU 19 Ca -0.44 -0.91 -0.22 0.00 -0.00 0.00 0.00 57.88 56.30 1wir h LEU 19 Cb 1.21 -0.18 -0.01 0.00 -0.00 0.00 0.00 40.66 41.68 1wir h LEU 19 CO 0.62 1.61 -1.12 -0.26 -0.00 0.00 0.00 178.44 179.28 1wir h PHE 20 N -0.15 0.29 -4.96 1.13 -1.00 -1.90 -3.42 116.94 106.94 1wir h PHE 20 Ca -0.25 -0.21 -0.29 0.00 2.81 0.00 0.00 57.97 60.03 1wir h PHE 20 Cb 1.88 -0.01 -0.02 0.00 3.61 0.00 0.00 35.95 41.41 1wir h PHE 20 CO 0.14 1.44 -0.13 0.00 -1.61 0.00 0.00 178.31 178.15 1wir n ASP 22 N -1.98 6.60 -4.73 0.00 8.00 -1.26 -3.51 116.55 119.68 1wir n ASP 22 Ca -0.00 -3.78 -0.38 0.00 0.71 0.00 0.00 54.79 51.34 1wir n ASP 22 Cb 0.31 -0.74 -0.06 0.00 -0.02 0.00 0.00 41.12 40.61 1wir n ASP 22 CO 0.00 0.00 0.00 -0.13 -0.39 0.00 0.00 177.20 176.68 1wir s ARG 23 N -3.76 4.31 0.09 -1.24 0.52 -1.26 -4.75 118.95 112.86 1wir s ARG 23 Ca 0.58 0.42 -0.15 0.00 -0.52 0.00 0.00 55.73 56.07 1wir s ARG 23 Cb 0.46 -3.42 -0.06 0.00 0.52 0.00 0.00 34.95 32.45 1wir s ARG 23 CO -0.04 0.19 0.50 -0.51 0.02 0.00 0.00 175.30 175.47 1wir s LEU 24 N 0.51 4.41 -0.04 2.53 1.43 -1.26 0.49 118.68 126.75 1wir s LEU 24 Ca 0.25 1.04 0.01 0.00 -1.03 0.00 0.00 54.13 54.40 1wir s LEU 24 Cb -0.15 -3.00 0.02 0.00 0.03 0.00 0.00 46.19 43.09 1wir s LEU 24 CO 0.10 0.20 -0.03 -0.36 0.23 0.00 0.00 176.35 176.48 1wir s PHE 25 N -1.30 0.65 0.30 0.29 0.08 0.17 -4.89 117.98 113.27 1wir s PHE 25 Ca 0.32 -0.16 0.04 0.00 0.12 0.00 0.00 56.93 57.25 1wir s PHE 25 Cb -0.16 -0.62 0.79 0.00 -0.57 0.00 0.00 43.02 42.46 1wir s PHE 25 CO 0.18 -0.19 1.64 0.00 -0.10 0.00 0.00 175.22 176.75 1wir h ALA 26 N 7.27 1.38 -1.47 5.36 0.00 -1.87 0.14 119.26 130.07 1wir h ALA 26 Ca -0.38 0.24 -0.58 0.00 0.00 0.00 0.00 54.91 54.19 1wir h ALA 26 Cb 1.15 0.34 -0.13 0.00 0.00 0.00 0.00 17.79 19.14 1wir h ALA 26 CO 0.46 -0.52 -0.57 0.45 0.00 0.00 0.00 179.25 179.07 1wir s SER 27 N -5.03 3.29 0.22 0.00 0.15 -1.26 -4.20 113.70 106.87 1wir s SER 27 Ca -0.12 -1.49 0.11 0.00 0.70 0.00 0.00 55.95 55.15 1wir s SER 27 Cb 0.27 0.07 0.04 0.00 -1.71 0.00 0.00 66.02 64.69 1wir s SER 27 CO 0.77 -0.68 1.42 0.00 1.20 0.00 0.00 173.24 175.96 1wir h ALA 28 N 1.78 0.60 -0.43 5.45 0.00 -1.88 -3.27 119.26 121.50 1wir h ALA 28 Ca -0.41 -0.66 -0.14 0.00 0.00 0.00 0.00 54.91 53.70 1wir h ALA 28 Cb 1.26 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.93 1wir h ALA 28 CO 0.72 0.90 -0.28 0.93 0.00 0.00 0.00 179.25 181.52 1wir h GLU 29 N 0.00 0.95 -0.87 0.00 5.08 -1.96 -2.77 114.58 115.01 1wir h GLU 29 Ca -0.01 -0.44 0.06 0.00 -1.00 0.00 0.00 59.36 57.98 1wir h GLU 29 Cb 1.47 -0.01 -0.06 0.00 0.50 0.00 0.00 28.75 30.65 1wir h GLU 29 CO 0.09 1.10 0.57 0.93 -1.00 0.00 0.00 179.01 180.70 1wir h GLU 30 N 0.80 0.94 0.58 2.33 4.39 -1.95 -2.78 114.58 118.89 1wir h GLU 30 Ca 0.09 -0.06 -0.03 0.00 0.34 0.00 0.00 59.36 59.70 1wir h GLU 30 Cb 0.86 -0.21 0.01 0.00 -0.10 0.00 0.00 28.75 29.31 1wir h GLU 30 CO 0.08 0.62 -0.28 1.15 -1.16 0.00 0.00 179.01 179.42 1wir h THR 31 N 0.97 0.00 -0.42 1.13 2.02 -1.62 -2.82 112.91 112.17 1wir h THR 31 Ca 0.37 -0.42 0.04 0.00 0.77 0.00 0.00 66.41 67.17 1wir h THR 31 Cb 0.21 0.00 -0.05 0.00 -1.74 0.00 0.00 68.15 66.57 1wir h THR 31 CO -0.14 0.00 -0.25 0.49 0.37 0.00 0.00 175.52 176.00 1wir n PHE 32 N -5.27 -0.18 -0.25 3.16 3.72 -1.06 0.07 117.46 117.65 1wir n PHE 32 Ca -0.10 0.52 0.06 0.00 -0.05 0.00 0.00 57.45 57.88 1wir n PHE 32 Cb 0.31 -0.51 0.17 0.00 -0.94 0.00 0.00 39.48 38.51 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 -0.17 -0.76 4.37 0.02 -1.61 0.20 113.55 115.60 1wir h SER 33 Ca 0.07 0.17 0.08 0.00 -0.84 0.00 0.00 61.79 61.27 1wir h SER 33 Cb 0.17 0.27 -0.07 0.00 0.14 0.00 0.00 62.40 62.92 1wir h SER 33 CO -0.39 -0.12 0.42 -0.74 -1.14 0.00 0.00 176.83 174.86 1wir h HIS 34 N 0.18 0.77 0.00 3.45 -0.00 -0.09 0.12 115.15 119.58 1wir h HIS 34 Ca 0.42 0.03 -0.06 0.00 -0.00 0.00 0.00 60.37 60.76 1wir h HIS 34 Cb 0.74 -0.23 -0.01 0.00 -0.00 0.00 0.00 27.41 27.90 1wir h HIS 34 CO -0.34 0.33 -0.29 0.00 -0.00 0.00 0.00 177.93 177.64 1wir h LYS 36 N 0.00 0.00 0.09 0.00 1.57 0.95 1.73 116.57 120.91 1wir h LYS 36 Ca -0.00 0.00 -0.34 0.00 -1.87 0.00 0.00 60.65 58.44 1wir h LYS 36 Cb 0.79 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 33.08 1wir h LYS 36 CO 0.04 0.24 -1.84 1.28 -0.57 0.00 0.00 179.45 178.60 1wir n LEU 37 N -3.21 2.45 -0.05 2.94 4.77 -0.46 -3.55 117.00 119.88 1wir n LEU 37 Ca 0.02 0.26 -0.05 0.00 -0.03 0.00 0.00 56.01 56.21 1wir n LEU 37 Cb 0.57 -1.08 -0.02 0.00 -2.33 0.00 0.00 43.42 40.57 1wir n LEU 37 CO 0.36 0.71 -0.36 -0.62 -1.33 0.00 0.00 177.39 176.15 1wir n GLU 38 N -3.72 0.33 0.00 3.23 -0.58 -0.58 -4.38 120.64 114.94 1wir n GLU 38 Ca -0.33 0.27 0.10 0.00 -0.42 0.00 0.00 57.16 56.78 1wir n GLU 38 Cb 0.96 -1.23 0.60 0.00 -0.57 0.00 0.00 31.44 31.19 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 -3.82 0.00 -2.36 -0.32 8.25 0.27 -4.83 115.22 112.41 1wir n HIS 39 Ca -0.07 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.39 1wir n HIS 39 Cb 0.27 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.38 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 -0.94 -2.86 -4.04 -0.41 6.02 0.56 -4.82 117.38 110.88 1wir n GLN 40 Ca 0.15 0.00 -0.35 0.00 -0.01 0.00 0.00 57.00 56.79 1wir n GLN 40 Cb 0.07 -4.20 -0.13 0.00 1.02 0.00 0.00 30.24 27.00 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 -1.86 3.03 0.09 1.08 2.19 0.11 -4.86 117.98 117.75 1wir s PHE 41 Ca 0.00 -0.49 0.04 0.00 0.33 0.00 0.00 56.93 56.80 1wir s PHE 41 Cb 0.00 -2.09 -0.04 0.00 -1.31 0.00 0.00 43.02 39.58 1wir s PHE 41 CO 0.00 -0.27 0.07 -0.80 1.83 0.00 0.00 175.22 176.05 1wir s ASN 42 N 1.07 5.43 -0.23 6.13 -0.87 -1.26 -3.32 114.94 121.89 1wir s ASN 42 Ca 0.02 -0.05 -0.15 0.00 -1.57 0.00 0.00 52.86 51.11 1wir s ASN 42 Cb -0.14 -1.42 -0.17 0.00 -0.02 0.00 0.00 41.25 39.49 1wir s ASN 42 CO 0.01 0.17 -0.00 0.00 -2.57 0.00 0.00 177.10 174.71 1wir n ILE 43 N 0.43 1.56 -0.31 0.60 0.13 -1.26 -4.02 119.36 116.48 1wir n ILE 43 Ca -0.09 -0.28 0.10 0.00 -1.10 0.00 0.00 62.75 61.39 1wir n ILE 43 Cb 0.52 -1.89 0.27 0.00 -0.84 0.00 0.00 39.64 37.70 1wir n ILE 43 CO 0.00 0.00 0.00 -2.24 2.80 0.00 0.00 176.55 177.11 1wir h ASP 44 N -0.78 0.51 -0.87 9.51 2.03 -1.99 0.11 116.42 124.94 1wir h ASP 44 Ca -0.50 0.11 -0.02 0.00 -0.73 0.00 0.00 57.03 55.89 1wir h ASP 44 Cb 1.56 0.04 -0.04 0.00 -0.83 0.00 0.00 39.33 40.06 1wir h ASP 44 CO -0.24 0.15 0.47 -1.28 -1.03 0.00 0.00 179.24 177.32 1wir h SER 45 N 0.57 1.09 -0.15 4.15 0.87 -2.00 -2.69 113.55 115.38 1wir h SER 45 Ca 0.52 -0.10 -0.03 0.00 -1.23 0.00 0.00 61.79 60.95 1wir h SER 45 Cb 0.85 -0.28 -0.00 0.00 -0.44 0.00 0.00 62.40 62.53 1wir h SER 45 CO -0.42 0.87 -0.02 0.24 -0.53 0.00 0.00 176.83 176.97 1wir h MET 46 N 1.21 0.27 -0.92 2.24 2.86 -1.00 0.34 114.93 119.95 1wir h MET 46 Ca 0.31 -0.10 0.21 0.00 -2.06 0.00 0.00 59.70 58.06 1wir h MET 46 Cb 0.03 -0.02 -0.07 0.00 0.06 0.00 0.00 31.60 31.60 1wir h MET 46 CO -0.05 0.53 0.61 0.28 1.06 0.00 0.00 176.91 179.34 1wir h VAL 47 N -0.01 0.65 0.00 -2.22 2.07 -0.89 -2.29 116.25 113.57 1wir h VAL 47 Ca 0.04 -0.13 0.00 0.00 0.82 0.00 0.00 66.70 67.43 1wir h VAL 47 Cb 0.42 0.25 0.00 0.00 -1.52 0.00 0.00 31.29 30.44 1wir h VAL 47 CO 0.01 0.07 -0.40 0.45 0.02 0.00 0.00 177.57 177.72 1wir h HIS 48 N 0.37 0.00 -0.07 1.57 3.86 -1.30 0.73 115.15 120.30 1wir h HIS 48 Ca 0.48 0.00 0.01 0.00 -1.16 0.00 0.00 60.37 59.69 1wir h HIS 48 Cb 1.25 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 29.72 1wir h HIS 48 CO -0.00 0.00 -0.04 1.17 0.86 0.00 0.00 177.93 179.91 1wir n LYS 49 N -4.48 -0.03 0.17 2.45 4.81 0.12 -0.16 118.16 121.03 1wir n LYS 49 Ca -0.06 0.77 0.05 0.00 -0.87 0.00 0.00 58.31 58.21 1wir n LYS 49 Cb 0.21 -1.15 0.12 0.00 0.02 0.00 0.00 35.03 34.23 1wir n LYS 49 CO 0.00 0.00 0.00 0.45 1.17 0.00 0.00 177.40 179.02 1wir h HIS 50 N 0.00 0.00 -0.96 5.64 3.86 -1.64 -3.48 115.15 118.57 1wir h HIS 50 Ca 0.01 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.22 1wir h HIS 50 Cb 0.03 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.50 1wir h HIS 50 CO -0.69 0.38 0.00 0.41 0.86 0.00 0.00 177.93 178.88 1wir n GLY 51 N 1.01 0.94 3.67 2.45 0.00 0.77 -5.00 105.19 109.04 1wir n GLY 51 Ca 0.02 -0.62 -0.43 0.00 0.00 0.00 0.00 46.02 44.99 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 -0.48 3.17 -4.97 0.99 4.77 0.19 -4.94 117.00 115.72 1wir n LEU 52 Ca 0.00 1.20 -0.21 0.00 -0.03 0.00 0.00 56.01 56.97 1wir n LEU 52 Cb 0.46 -1.44 0.02 0.00 -2.33 0.00 0.00 43.42 40.13 1wir n LEU 52 CO 0.00 -0.69 0.17 -1.83 -1.33 0.00 0.00 177.39 173.71 1wir s GLU 53 N -1.81 2.42 0.13 3.23 1.03 -1.26 -4.71 118.70 117.73 1wir s GLU 53 Ca 0.56 -1.65 -0.21 0.00 0.03 0.00 0.00 54.97 53.71 1wir s GLU 53 Cb -0.60 -2.48 0.00 0.00 -0.80 0.00 0.00 34.13 30.25 1wir s GLU 53 CO 0.62 -0.57 1.15 0.34 -1.33 0.00 0.00 175.26 175.46 1wir n PHE 54 N -1.93 -0.25 -0.03 4.83 7.35 -1.26 -0.49 117.46 125.68 1wir n PHE 54 Ca 0.08 0.93 -0.14 0.00 -0.76 0.00 0.00 57.45 57.56 1wir n PHE 54 Cb 0.62 -0.61 -0.09 0.00 0.35 0.00 0.00 39.48 39.75 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 -0.75 -5.13 0.05 -2.01 -3.32 116.97 106.04 1wir h TYR 55 Ca 0.15 -0.08 0.08 0.00 0.05 0.00 0.00 58.73 58.93 1wir h TYR 55 Cb 0.34 -0.04 -0.11 0.00 1.01 0.00 0.00 36.73 37.93 1wir h TYR 55 CO -0.74 0.71 -0.55 0.78 -1.05 0.00 0.00 178.16 177.32 1wir h GLY 56 N -0.33 -0.78 -0.55 3.88 0.00 -1.14 0.26 103.07 104.40 1wir h GLY 56 Ca 0.00 0.72 0.29 0.00 0.00 0.00 0.00 47.33 48.34 1wir h GLY 56 CO 0.03 -0.05 0.39 -1.82 0.00 0.00 0.00 176.54 175.08 1wir h TYR 57 N -0.16 0.61 -0.65 5.60 3.20 -0.89 0.46 116.97 125.14 1wir h TYR 57 Ca 0.15 0.05 0.05 0.00 3.14 0.00 0.00 58.73 62.12 1wir h TYR 57 Cb 0.51 -0.11 -0.05 0.00 1.54 0.00 0.00 36.73 38.61 1wir h TYR 57 CO -0.88 -0.23 0.36 0.82 -1.64 0.00 0.00 178.16 176.59 1wir h ILE 58 N 0.23 0.98 -0.80 1.81 2.04 -0.59 -1.95 117.51 119.23 1wir h ILE 58 Ca 0.66 -0.23 -0.04 0.00 1.00 0.00 0.00 64.86 66.25 1wir h ILE 58 Cb 1.44 0.25 -0.04 0.00 -0.74 0.00 0.00 36.82 37.73 1wir h ILE 58 CO -0.66 0.12 0.36 0.11 0.00 0.00 0.00 178.15 178.08 1wir h LYS 59 N 0.67 1.17 -0.34 2.37 1.57 0.22 -2.32 116.57 119.91 1wir h LYS 59 Ca 0.29 -0.19 0.05 0.00 -1.87 0.00 0.00 60.65 58.92 1wir h LYS 59 Cb 0.16 -0.20 -0.04 0.00 0.08 0.00 0.00 32.23 32.23 1wir h LYS 59 CO -0.17 0.92 0.09 1.25 -0.57 0.00 0.00 179.45 180.97 1wir h LEU 60 N 1.15 0.05 0.23 2.94 7.12 -0.65 0.47 115.31 126.61 1wir h LEU 60 Ca 0.27 0.05 -0.01 0.00 0.13 0.00 0.00 57.88 58.32 1wir h LEU 60 Cb 0.16 0.06 0.00 0.00 -0.53 0.00 0.00 40.66 40.35 1wir h LEU 60 CO -0.03 0.07 -0.11 0.40 -0.13 0.00 0.00 178.44 178.64 1wir h ILE 61 N 0.21 0.00 -0.93 4.05 1.08 -1.22 -2.89 117.51 117.81 1wir h ILE 61 Ca 0.16 -0.03 0.24 0.00 -0.39 0.00 0.00 64.86 64.84 1wir h ILE 61 Cb 0.16 0.00 -0.06 0.00 -3.07 0.00 0.00 36.82 33.86 1wir h ILE 61 CO -0.19 0.00 0.64 0.78 -0.69 0.00 0.00 178.15 178.68 1wir h ASN 62 N -0.34 0.24 -0.36 1.72 2.35 -1.42 -0.41 115.58 117.36 1wir h ASN 62 Ca -0.03 0.03 0.06 0.00 -0.55 0.00 0.00 56.30 55.81 1wir h ASN 62 Cb 0.24 -0.01 -0.06 0.00 0.05 0.00 0.00 38.32 38.54 1wir h ASN 62 CO 0.05 0.08 0.01 0.15 -1.65 0.00 0.00 177.43 176.07 1wir h PHE 63 N 0.23 0.00 0.00 1.19 3.57 0.07 -0.32 116.94 121.68 1wir h PHE 63 Ca 0.47 0.03 -0.09 0.00 3.53 0.00 0.00 57.97 61.91 1wir h PHE 63 Cb 1.47 0.05 -0.01 0.00 2.79 0.00 0.00 35.95 40.25 1wir h PHE 63 CO -0.00 -0.05 -0.43 0.82 -2.23 0.00 0.00 178.31 176.41 1wir h ILE 64 N 0.11 1.21 -0.30 1.41 2.04 -0.88 0.85 117.51 121.95 1wir h ILE 64 Ca 0.17 -1.53 -0.11 0.00 1.00 0.00 0.00 64.86 64.39 1wir h ILE 64 Cb 0.24 1.85 -0.01 0.00 -0.74 0.00 0.00 36.82 38.15 1wir h ILE 64 CO -0.28 0.42 -0.28 0.03 0.00 0.00 0.00 178.15 178.04 1wir h ARG 65 N 0.00 0.60 0.00 2.37 2.47 -0.79 0.19 114.38 119.23 1wir h ARG 65 Ca -0.00 -0.25 0.00 0.00 -1.26 0.00 0.00 59.98 58.46 1wir h ARG 65 Cb 0.81 -0.02 0.00 0.00 -1.65 0.00 0.00 29.97 29.11 1wir h ARG 65 CO 0.06 0.82 -0.37 1.25 0.56 0.00 0.00 179.97 182.29 1wir h LEU 66 N 0.52 0.00 -0.14 3.04 6.46 -0.91 -3.40 115.31 120.88 1wir h LEU 66 Ca 0.07 0.00 -0.00 0.00 -0.12 0.00 0.00 57.88 57.82 1wir h LEU 66 Cb 0.75 0.00 -0.01 0.00 -0.73 0.00 0.00 40.66 40.67 1wir h LEU 66 CO 0.06 0.64 0.07 0.11 -0.62 0.00 0.00 178.44 178.71 1wir h LYS 67 N -0.92 0.21 -5.12 1.25 1.79 -0.97 -3.47 116.57 109.34 1wir h LYS 67 Ca 0.00 -0.03 -0.31 0.00 -2.18 0.00 0.00 60.65 58.14 1wir h LYS 67 Cb 0.37 -0.04 0.13 0.00 -1.58 0.00 0.00 32.23 31.12 1wir h LYS 67 CO 0.00 0.24 -0.63 0.09 -1.08 0.00 0.00 179.45 178.08 1wir n ASN 68 N -4.92 -3.52 -2.64 0.86 3.02 0.68 -5.01 115.26 103.72 1wir n ASN 68 Ca -0.05 -0.50 -0.04 0.00 -0.03 0.00 0.00 54.58 53.97 1wir n ASN 68 Cb 0.08 -4.42 0.03 0.00 -0.61 0.00 0.00 39.78 34.87 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 -3.94 -1.28 -4.26 3.52 -0.04 -1.26 -5.05 135.00 122.69 1wir n PRO 69 Ca -0.14 -0.21 -0.28 0.00 -0.04 0.00 0.00 63.50 62.82 1wir n PRO 69 Cb 0.61 -0.20 -0.09 0.00 -0.04 0.00 0.00 33.50 33.77 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 -1.24 3.30 0.11 0.52 -1.32 -1.26 -4.89 115.64 110.85 1wir s THR 70 Ca 0.09 -1.49 -0.24 0.00 -1.21 0.00 0.00 61.69 58.84 1wir s THR 70 Cb -0.01 -2.60 -0.07 0.00 -1.51 0.00 0.00 72.50 68.31 1wir s THR 70 CO 0.07 -0.03 1.40 0.58 -2.21 0.00 0.00 174.62 174.43 1wir h VAL 71 N 2.92 0.00 -0.70 5.08 2.07 -1.98 0.24 116.25 123.89 1wir h VAL 71 Ca -0.48 0.00 0.29 0.00 0.82 0.00 0.00 66.70 67.33 1wir h VAL 71 Cb 1.19 0.00 -0.13 0.00 -1.52 0.00 0.00 31.29 30.83 1wir h VAL 71 CO 0.53 0.00 0.35 1.21 0.02 0.00 0.00 177.57 179.69 1wir n GLU 72 N -4.66 -0.04 -0.02 1.57 2.13 -1.26 0.11 120.64 118.47 1wir n GLU 72 Ca -0.01 0.97 -0.12 0.00 0.66 0.00 0.00 57.16 58.66 1wir n GLU 72 Cb 0.22 -1.72 -0.10 0.00 0.27 0.00 0.00 31.44 30.12 1wir n GLU 72 CO 0.00 0.00 0.00 -0.92 -0.41 0.00 0.00 177.13 175.80 1wir h TYR 73 N 0.00 -0.07 0.00 4.31 3.20 -0.90 -3.06 116.97 120.45 1wir h TYR 73 Ca 0.58 -0.00 0.00 0.00 3.14 0.00 0.00 58.73 62.45 1wir h TYR 73 Cb 1.52 0.02 0.00 0.00 1.54 0.00 0.00 36.73 39.81 1wir h TYR 73 CO -0.03 0.56 0.52 0.52 -1.64 0.00 0.00 178.16 178.09 1wir h MET 74 N -0.83 0.00 0.00 1.82 2.86 0.18 1.02 114.93 119.97 1wir h MET 74 Ca -0.01 0.00 -0.28 0.00 -2.06 0.00 0.00 59.70 57.35 1wir h MET 74 Cb 0.65 0.00 -0.05 0.00 0.06 0.00 0.00 31.60 32.26 1wir h MET 74 CO 0.01 0.00 -1.67 -0.91 1.06 0.00 0.00 176.91 175.40 1wir h ASN 75 N 0.00 0.00 -3.45 1.22 2.35 -1.21 -3.41 115.58 111.08 1wir h ASN 75 Ca 0.00 0.00 -0.77 0.00 -0.55 0.00 0.00 56.30 54.98 1wir h ASN 75 Cb 1.04 0.00 -0.30 0.00 0.05 0.00 0.00 38.32 39.11 1wir h ASN 75 CO 0.00 0.99 0.29 -1.20 -1.65 0.00 0.00 177.43 175.86 1wir n SER 76 N -3.05 5.13 -4.16 5.81 7.64 0.35 -5.01 113.62 120.33 1wir n SER 76 Ca -0.16 -3.08 -0.22 0.00 1.01 0.00 0.00 58.87 56.42 1wir n SER 76 Cb 1.04 -1.27 -0.14 0.00 -1.01 0.00 0.00 64.21 62.83 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 -1.38 1.24 -0.13 0.44 1.01 -1.25 -4.90 121.20 116.23 1wir s ILE 77 Ca 0.30 -0.90 -0.10 0.00 0.00 0.00 0.00 60.65 59.96 1wir s ILE 77 Cb -0.08 -1.08 0.04 0.00 0.01 0.00 0.00 42.46 41.34 1wir s ILE 77 CO -0.09 0.17 0.32 -0.72 0.00 0.00 0.00 174.94 174.62 1wir s TYR 78 N -0.65 -0.39 0.35 3.97 -0.85 -1.26 -5.10 117.35 113.42 1wir s TYR 78 Ca 0.04 0.92 -0.28 0.00 -0.52 0.00 0.00 57.07 57.24 1wir s TYR 78 Cb -0.07 0.13 -0.12 0.00 0.38 0.00 0.00 41.96 42.28 1wir s TYR 78 CO 0.01 -0.21 1.30 0.27 -1.52 0.00 0.00 175.55 175.39 1wir n ASN 79 N 3.41 2.81 -4.76 -0.18 0.23 -1.26 -3.90 115.26 111.61 1wir n ASN 79 Ca -0.17 1.20 -0.41 0.00 -0.53 0.00 0.00 54.58 54.67 1wir n ASN 79 Cb 0.56 -1.49 -0.03 0.00 -2.08 0.00 0.00 39.78 36.74 1wir n ASN 79 CO 0.00 0.00 0.00 -2.16 -0.93 0.00 0.00 177.26 174.17 1wir s PRO 80 N -1.92 4.45 0.57 -0.53 0.04 -1.26 -5.13 135.00 131.21 1wir s PRO 80 Ca 0.56 2.06 -0.18 0.00 0.04 0.00 0.00 61.00 63.47 1wir s PRO 80 Cb -0.56 -3.14 -0.04 0.00 0.04 0.00 0.00 34.50 30.80 1wir s PRO 80 CO 0.62 -0.09 1.14 0.14 0.04 0.00 0.00 177.00 178.85 1wir s VAL 81 N -0.82 3.10 -1.99 -0.36 -7.23 -1.25 -4.90 120.40 106.96 1wir s VAL 81 Ca 0.50 0.65 0.16 0.00 -1.81 0.00 0.00 61.98 61.47 1wir s VAL 81 Cb -0.37 -3.23 0.44 0.00 0.56 0.00 0.00 36.38 33.78 1wir s VAL 81 CO 0.46 -0.18 1.34 -0.81 -0.31 0.00 0.00 175.10 175.59 1wir n PRO 82 N -1.57 0.48 -0.06 4.82 -0.04 -1.26 -1.91 135.00 135.46 1wir n PRO 82 Ca 0.12 0.00 0.04 0.00 -0.04 0.00 0.00 63.50 63.62 1wir n PRO 82 Cb 0.51 -1.50 0.05 0.00 -0.04 0.00 0.00 33.50 32.52 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 -1.01 0.00 -0.72 0.54 2.14 -1.26 -4.83 117.44 112.30 1wir n TRP 83 Ca 0.12 -0.59 -0.08 0.00 2.07 0.00 0.00 57.50 59.02 1wir n TRP 83 Cb 0.06 -0.08 -0.11 0.00 -0.81 0.00 0.00 31.31 30.37 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 -0.75 1.44 -4.40 -2.67 0.00 -0.80 -4.79 120.64 108.66 1wir n GLU 84 Ca 0.06 -0.64 -0.21 0.00 0.00 0.00 0.00 57.16 56.38 1wir n GLU 84 Cb 0.45 -1.73 -0.14 0.00 0.00 0.00 0.00 31.44 30.02 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 1.18 0.99 0.05 5.31 -0.14 -1.26 -5.01 119.74 120.85 1wir s LYS 85 Ca 0.43 -0.75 -0.24 0.00 -1.36 0.00 0.00 55.97 54.05 1wir s LYS 85 Cb 0.20 -1.00 -0.17 0.00 -1.68 0.00 0.00 37.83 35.19 1wir s LYS 85 CO 0.00 0.25 1.58 0.38 -0.76 0.00 0.00 175.35 176.80 1wir h ASP 86 N 5.01 -0.03 -0.82 2.83 2.03 -2.02 -2.97 116.42 120.44 1wir h ASP 86 Ca -0.38 -0.15 0.27 0.00 -0.73 0.00 0.00 57.03 56.04 1wir h ASP 86 Cb 1.18 0.01 -0.15 0.00 -0.83 0.00 0.00 39.33 39.53 1wir h ASP 86 CO 0.44 0.13 0.16 -1.84 -1.03 0.00 0.00 179.24 177.11 1wir n GLU 87 N -5.03 -0.06 -0.24 4.15 0.28 -1.26 0.21 120.64 118.69 1wir n GLU 87 Ca -0.08 1.20 -0.01 0.00 -0.16 0.00 0.00 57.16 58.11 1wir n GLU 87 Cb 0.11 -1.99 0.10 0.00 1.43 0.00 0.00 31.44 31.10 1wir n GLU 87 CO 0.00 0.00 0.00 1.88 -0.16 0.00 0.00 177.13 178.85 1wir h TYR 88 N 0.00 0.71 -1.37 -1.84 0.05 -1.86 -1.99 116.97 110.67 1wir h TYR 88 Ca 0.57 0.03 0.43 0.00 0.05 0.00 0.00 58.73 59.81 1wir h TYR 88 Cb 1.31 -0.22 -0.10 0.00 1.01 0.00 0.00 36.73 38.74 1wir h TYR 88 CO -0.28 0.34 0.93 1.28 -1.05 0.00 0.00 178.16 179.39 1wir n LEU 89 N -4.77 0.10 -4.77 3.88 4.77 0.57 -4.31 117.00 112.47 1wir n LEU 89 Ca 0.09 1.02 -0.40 0.00 -0.03 0.00 0.00 56.01 56.68 1wir n LEU 89 Cb 0.17 -0.50 -0.03 0.00 -2.33 0.00 0.00 43.42 40.73 1wir n LEU 89 CO 0.29 -1.08 0.92 -0.54 -1.33 0.00 0.00 177.39 175.65 1wir s LYS 90 N -4.79 4.41 -0.43 3.23 3.01 -0.75 -4.86 119.74 119.56 1wir s LYS 90 Ca -0.05 2.08 -0.28 0.00 -1.01 0.00 0.00 55.97 56.71 1wir s LYS 90 Cb 0.24 -3.08 -0.01 0.00 -1.01 0.00 0.00 37.83 33.97 1wir s LYS 90 CO 0.71 -0.09 1.74 -1.25 0.51 0.00 0.00 175.35 176.98 1wir s PRO 91 N -1.73 3.18 0.35 -1.68 0.04 -1.26 -4.87 135.00 129.03 1wir s PRO 91 Ca 0.48 1.10 0.09 0.00 0.04 0.00 0.00 61.00 62.72 1wir s PRO 91 Cb -0.37 -4.22 0.82 0.00 0.04 0.00 0.00 34.50 30.77 1wir s PRO 91 CO 0.49 -2.05 1.85 0.28 0.04 0.00 0.00 177.00 177.61 1wir h VAL 92 N 6.76 0.81 -5.07 -0.36 2.07 -1.89 -3.43 116.25 115.14 1wir h VAL 92 Ca -0.30 -0.24 -0.31 0.00 0.82 0.00 0.00 66.70 66.67 1wir h VAL 92 Cb 1.15 0.06 -0.02 0.00 -1.52 0.00 0.00 31.29 30.96 1wir h VAL 92 CO 1.09 0.13 -0.14 0.18 0.02 0.00 0.00 177.57 178.85 1wir n LEU 93 N -4.58 0.00 -4.71 2.57 4.32 -1.26 -5.09 117.00 108.25 1wir n LEU 93 Ca 0.18 -1.56 -0.35 0.00 -0.02 0.00 0.00 56.01 54.26 1wir n LEU 93 Cb 0.50 -0.05 -0.09 0.00 -1.62 0.00 0.00 43.42 42.17 1wir n LEU 93 CO 0.28 -0.46 -0.25 -0.70 -1.22 0.00 0.00 177.39 175.05 1wir s GLU 94 N -3.27 3.53 -1.34 3.23 2.12 -1.26 -4.55 118.70 117.16 1wir s GLU 94 Ca 0.19 -0.31 -0.08 0.00 0.36 0.00 0.00 54.97 55.13 1wir s GLU 94 Cb -0.02 -3.07 0.00 0.00 0.26 0.00 0.00 34.13 31.31 1wir s GLU 94 CO 0.12 0.53 0.49 -3.47 -0.54 0.00 0.00 175.26 172.39 1wir n ASP 95 N 2.72 -1.67 -4.68 -1.70 -0.08 -1.26 -4.85 116.55 105.02 1wir n ASP 95 Ca -0.18 -1.06 -0.42 0.00 -1.51 0.00 0.00 54.79 51.62 1wir n ASP 95 Cb 0.53 -2.89 -0.03 0.00 2.34 0.00 0.00 41.12 41.08 1wir n ASP 95 CO 0.00 0.00 0.00 -0.62 0.12 0.00 0.00 177.20 176.70 1wir s ASP 96 N -4.10 6.83 0.14 1.67 -1.08 -1.26 -4.91 116.67 113.95 1wir s ASP 96 Ca 0.15 2.07 -0.11 0.00 -0.52 0.00 0.00 52.55 54.15 1wir s ASP 96 Cb -0.06 -2.55 -0.06 0.00 -1.46 0.00 0.00 42.92 38.78 1wir s ASP 96 CO 0.90 -0.77 1.43 -0.07 0.52 0.00 0.00 175.17 177.19 1wir h LEU 97 N 8.92 0.97 -1.66 -1.34 3.38 -1.90 -2.87 115.31 120.81 1wir h LEU 97 Ca -0.36 -0.50 0.09 0.00 0.09 0.00 0.00 57.88 57.20 1wir h LEU 97 Cb 1.17 -0.28 -0.03 0.00 0.09 0.00 0.00 40.66 41.61 1wir h LEU 97 CO 0.92 1.30 0.37 -0.07 0.09 0.00 0.00 178.44 181.05 1wir h LEU 98 N 0.69 0.35 -0.07 1.67 3.38 -1.92 -0.33 115.31 119.07 1wir h LEU 98 Ca 0.03 0.01 -0.14 0.00 0.09 0.00 0.00 57.88 57.86 1wir h LEU 98 Cb 1.10 -0.07 0.01 0.00 0.09 0.00 0.00 40.66 41.79 1wir h LEU 98 CO 0.11 0.21 -0.50 -0.07 0.09 0.00 0.00 178.44 178.29 1wir h LEU 99 N 0.39 0.56 -0.69 1.67 4.07 -1.94 -3.07 115.31 116.30 1wir h LEU 99 Ca 0.25 -0.67 0.00 0.00 0.08 0.00 0.00 57.88 57.54 1wir h LEU 99 Cb 0.48 -0.17 0.00 0.00 1.08 0.00 0.00 40.66 42.06 1wir h LEU 99 CO -0.07 1.15 0.00 0.00 -1.08 0.00 0.00 178.44 178.44 1wir n GLN 100 N -4.26 1.32 -2.79 1.13 10.64 -0.74 -4.86 117.38 117.83 1wir n GLN 100 Ca -0.09 -0.37 -0.40 0.00 -1.83 0.00 0.00 57.00 54.31 1wir n GLN 100 Cb 0.60 -1.25 -0.06 0.00 -0.86 0.00 0.00 30.24 28.67 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 -1.65 3.93 -0.80 2.61 2.19 -0.21 -4.95 117.98 119.10 1wir s PHE 101 Ca 0.07 1.84 -0.25 0.00 0.33 0.00 0.00 56.93 58.92 1wir s PHE 101 Cb 0.04 -2.96 -0.05 0.00 -1.31 0.00 0.00 43.02 38.74 1wir s PHE 101 CO 0.04 0.41 2.00 -0.51 1.83 0.00 0.00 175.22 178.99 1wir s ASP 102 N -0.90 4.99 0.03 6.13 1.01 -1.26 -4.73 116.67 121.94 1wir s ASP 102 Ca 0.41 -0.26 0.12 0.00 0.71 0.00 0.00 52.55 53.54 1wir s ASP 102 Cb -0.25 -2.55 -0.20 0.00 1.01 0.00 0.00 42.92 40.94 1wir s ASP 102 CO 0.30 -2.79 0.88 1.62 0.21 0.00 0.00 175.17 175.39 1wir h VAL 103 N 7.24 1.01 -0.26 -1.27 3.04 -1.93 -3.32 116.25 120.76 1wir h VAL 103 Ca -0.02 -2.76 0.07 0.00 -1.01 0.00 0.00 66.70 62.99 1wir h VAL 103 Cb 1.06 2.47 -0.01 0.00 -2.01 0.00 0.00 31.29 32.80 1wir h VAL 103 CO 1.19 0.58 0.22 -0.33 -1.01 0.00 0.00 177.57 178.21 1wir h GLU 104 N 0.00 0.00 0.00 4.17 5.08 -1.98 0.83 114.58 122.68 1wir h GLU 104 Ca -0.19 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.17 1wir h GLU 104 Cb 1.86 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 31.11 1wir h GLU 104 CO 0.09 0.00 -0.02 -0.44 -1.00 0.00 0.00 179.01 177.63 1wir h ASP 105 N 0.00 0.00 0.60 1.42 5.19 -1.90 0.72 116.42 122.45 1wir h ASP 105 Ca 0.12 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.53 1wir h ASP 105 Cb 0.57 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.08 1wir h ASP 105 CO -0.00 0.02 -0.37 0.18 -3.12 0.00 0.00 179.24 175.95 1wir n LEU 106 N -3.62 0.41 0.00 1.55 4.77 0.29 -3.57 117.00 116.83 1wir n LEU 106 Ca -0.03 0.10 0.15 0.00 -0.03 0.00 0.00 56.01 56.20 1wir n LEU 106 Cb 0.12 -0.30 0.79 0.00 -2.33 0.00 0.00 43.42 41.69 1wir n LEU 106 CO 0.26 0.10 1.04 -1.22 -1.33 0.00 0.00 177.39 176.24 1wir n TYR 107 N -1.45 0.00 -3.47 -1.77 4.02 0.25 -4.86 117.16 109.88 1wir n TYR 107 Ca 0.06 0.00 -0.11 0.00 -0.01 0.00 0.00 57.90 57.84 1wir n TYR 107 Cb 0.33 -0.25 -0.02 0.00 -0.02 0.00 0.00 39.34 39.39 1wir n TYR 107 CO 0.00 0.00 0.00 -1.21 -1.01 0.00 0.00 176.86 174.64 1wir s GLU 108 N -2.50 1.26 1.07 -0.72 2.02 -1.23 -5.14 118.70 113.46 1wir s GLU 108 Ca 0.31 -0.49 -0.14 0.00 0.02 0.00 0.00 54.97 54.67 1wir s GLU 108 Cb 0.21 0.56 0.22 0.00 0.10 0.00 0.00 34.13 35.22 1wir s GLU 108 CO 0.45 -0.55 1.10 -1.25 0.02 0.00 0.00 175.26 175.02 1wir s PRO 109 N -3.67 -0.14 -0.14 0.39 0.04 -1.26 -4.87 135.00 125.35 1wir s PRO 109 Ca 0.02 0.32 0.14 0.00 0.04 0.00 0.00 61.00 61.53 1wir s PRO 109 Cb -0.01 -1.69 0.66 0.00 0.04 0.00 0.00 34.50 33.50 1wir s PRO 109 CO -0.11 -3.07 1.54 1.55 0.04 0.00 0.00 177.00 176.95 1wir n VAL 110 N -4.38 1.87 0.05 -0.36 3.14 -1.26 -4.28 118.33 113.11 1wir n VAL 110 Ca 0.07 -1.08 -0.20 0.00 -2.96 0.00 0.00 64.34 60.17 1wir n VAL 110 Cb 0.58 -0.07 -0.10 0.00 -1.06 0.00 0.00 33.84 33.19 1wir n VAL 110 CO 0.00 0.00 0.00 0.77 -6.46 0.00 0.00 176.83 171.14 1wir h SER 111 N 3.52 0.88 -1.06 6.55 4.64 -2.01 -3.47 113.55 122.60 1wir h SER 111 Ca 0.00 -0.72 -0.62 0.00 -0.47 0.00 0.00 61.79 59.98 1wir h SER 111 Cb 1.47 -0.27 0.11 0.00 -0.31 0.00 0.00 62.40 63.40 1wir h SER 111 CO 0.29 1.52 -0.58 1.07 -0.87 0.00 0.00 176.83 178.26 1wir n THR 112 N -3.84 1.61 0.70 2.95 5.66 -1.26 -4.78 114.28 115.34 1wir n THR 112 Ca -0.11 -0.47 0.07 0.00 -3.05 0.00 0.00 64.05 60.50 1wir n THR 112 Cb 0.89 0.00 0.37 0.00 -1.55 0.00 0.00 70.33 70.05 1wir n THR 112 CO 0.00 0.00 0.00 -0.81 -3.05 0.00 0.00 175.07 171.21 1wir n PRO 113 N 1.00 0.22 -1.31 1.09 -0.04 -1.26 -3.97 135.00 130.73 1wir n PRO 113 Ca 0.16 0.14 -0.28 0.00 -0.04 0.00 0.00 63.50 63.48 1wir n PRO 113 Cb 0.26 -1.50 -0.08 0.00 -0.04 0.00 0.00 33.50 32.14 1wir n PRO 113 CO 0.00 0.00 0.00 1.19 -0.04 0.00 0.00 175.50 176.65 1wir n PHE 114 N -1.28 1.48 -1.66 0.54 3.01 -1.26 -4.49 117.46 113.80 1wir n PHE 114 Ca 0.07 -2.36 -0.27 0.00 1.01 0.00 0.00 57.45 55.90 1wir n PHE 114 Cb 0.12 -1.97 0.07 0.00 -0.01 0.00 0.00 39.48 37.68 1wir n PHE 114 CO 0.00 0.00 0.00 0.45 1.01 0.00 0.00 176.76 178.22 1wir n SER 115 N 2.66 5.84 -3.43 4.37 2.88 -1.25 -4.99 113.62 119.69 1wir n SER 115 Ca 0.61 -3.77 -0.21 0.00 -1.33 0.00 0.00 58.87 54.17 1wir n SER 115 Cb 0.52 -0.65 -0.07 0.00 -0.75 0.00 0.00 64.21 63.25 1wir n SER 115 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 1wir n SER 116 N -0.85 0.17 0.00 -3.46 2.88 -1.26 -5.14 113.62 105.96 1wir n SER 116 Ca 0.51 -3.10 0.00 0.00 -1.33 0.00 0.00 58.87 54.96 1wir n SER 116 Cb 0.86 1.33 0.00 0.00 -0.75 0.00 0.00 64.21 65.65 1wir n SER 116 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1wir n GLY 117 N -0.65 -1.33 2.99 0.46 0.00 -1.26 -5.18 105.19 100.21 1wir n GLY 117 Ca 0.02 0.90 -0.26 0.00 0.00 0.00 0.00 46.02 46.68 1wir n GLY 117 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1wir n PRO 118 N 0.00 -2.84 -3.64 1.61 -0.04 -1.26 -5.10 135.00 123.73 1wir n PRO 118 Ca 0.00 -1.49 -0.05 0.00 -0.04 0.00 0.00 63.50 61.92 1wir n PRO 118 Cb 0.00 -1.40 -0.06 0.00 -0.04 0.00 0.00 33.50 32.00 1wir n PRO 118 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1wir s SER 119 N -4.02 -0.98 0.50 3.54 0.15 -1.26 -5.18 113.70 106.46 1wir s SER 119 Ca 0.61 1.48 0.02 0.00 0.70 0.00 0.00 55.95 58.75 1wir s SER 119 Cb -0.06 1.67 -0.02 0.00 -1.71 0.00 0.00 66.02 65.90 1wir s SER 119 CO 0.46 -0.22 0.00 -0.44 1.20 0.00 0.00 173.24 174.24 1wir s SER 120 N 2.03 4.09 0.00 5.45 0.01 -1.26 -5.39 113.70 118.63 1wir s SER 120 Ca -0.09 -1.63 0.25 0.00 1.31 0.00 0.00 55.95 55.79 1wir s SER 120 Cb -0.07 0.45 0.33 0.00 0.21 0.00 0.00 66.02 66.94 1wir s SER 120 CO -0.19 -0.82 1.34 0.61 0.41 0.00 0.00 173.24 174.59