#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wyi h PRO 2 N 0.00 -0.45 -5.66 0.00 0.11 -1.92 -3.38 132.00 120.71 1wyi h PRO 2 Ca 0.00 0.03 -0.50 0.00 0.11 0.00 0.00 66.00 65.64 1wyi h PRO 2 Cb 0.00 0.10 -0.00 0.00 0.11 0.00 0.00 31.00 31.21 1wyi h PRO 2 CO 0.00 -0.30 1.61 -1.13 -0.21 0.00 0.00 178.00 177.97 1wyi n SER 3 N -5.20 2.35 -4.54 -2.05 3.41 -1.26 -4.50 113.62 101.83 1wyi n SER 3 Ca -0.05 -0.29 -0.41 0.00 -0.26 0.00 0.00 58.87 57.86 1wyi n SER 3 Cb 0.33 -1.52 -0.03 0.00 -0.26 0.00 0.00 64.21 62.73 1wyi n SER 3 CO 0.00 0.00 0.00 -0.13 -0.16 0.00 0.00 175.04 174.75 1wyi s ARG 4 N 7.89 3.23 0.07 4.33 0.52 -1.26 -4.97 118.95 128.75 1wyi s ARG 4 Ca 1.02 -0.25 -0.36 0.00 -0.52 0.00 0.00 55.73 55.62 1wyi s ARG 4 Cb -0.31 -4.16 -0.15 0.00 0.52 0.00 0.00 34.95 30.85 1wyi s ARG 4 CO 0.30 -2.02 1.51 1.17 0.02 0.00 0.00 175.30 176.28 1wyi n LYS 5 N 8.97 1.62 -1.61 3.54 4.81 -1.26 -4.84 118.16 129.39 1wyi n LYS 5 Ca 0.03 0.59 -0.45 0.00 -0.87 0.00 0.00 58.31 57.60 1wyi n LYS 5 Cb 0.48 -2.30 -0.02 0.00 0.02 0.00 0.00 35.03 33.22 1wyi n LYS 5 CO 0.00 0.00 0.00 0.34 1.17 0.00 0.00 177.40 178.91 1wyi n PHE 6 N 3.45 1.52 -3.95 5.64 7.35 -0.93 -4.69 117.46 125.85 1wyi n PHE 6 Ca 0.19 0.64 -0.31 0.00 -0.76 0.00 0.00 57.45 57.21 1wyi n PHE 6 Cb 0.23 -2.31 -0.15 0.00 0.35 0.00 0.00 39.48 37.60 1wyi n PHE 6 CO 0.00 0.00 0.00 0.12 -0.76 0.00 0.00 176.76 176.12 1wyi s PHE 7 N -0.75 2.71 -0.37 -5.13 5.36 -0.69 0.23 117.98 119.35 1wyi s PHE 7 Ca 0.62 -2.07 -0.07 0.00 -0.96 0.00 0.00 56.93 54.46 1wyi s PHE 7 Cb -0.71 -1.88 0.05 0.00 -0.34 0.00 0.00 43.02 40.14 1wyi s PHE 7 CO 0.57 -0.83 0.16 0.54 -1.46 0.00 0.00 175.22 174.20 1wyi s VAL 8 N 1.28 3.91 -0.12 3.12 0.11 0.44 -2.26 120.40 126.88 1wyi s VAL 8 Ca -0.02 -1.25 -0.06 0.00 -2.93 0.00 0.00 61.98 57.72 1wyi s VAL 8 Cb -0.19 -3.29 -0.04 0.00 -1.53 0.00 0.00 36.38 31.33 1wyi s VAL 8 CO -0.08 -0.30 0.10 -0.83 -3.33 0.00 0.00 175.10 170.66 1wyi s GLY 9 N 1.63 2.07 -0.32 6.54 0.00 -0.20 -0.65 107.32 116.39 1wyi s GLY 9 Ca 0.00 -0.69 -0.01 0.00 0.00 0.00 0.00 44.72 44.03 1wyi s GLY 9 CO 0.02 -0.38 0.02 -0.32 0.00 0.00 0.00 173.10 172.45 1wyi s GLY 10 N -0.87 1.80 -0.71 0.20 0.00 0.19 -0.26 107.32 107.67 1wyi s GLY 10 Ca 0.14 -1.99 -0.18 0.00 0.00 0.00 0.00 44.72 42.68 1wyi s GLY 10 CO 0.03 0.77 0.83 0.21 0.00 0.00 0.00 173.10 174.94 1wyi s ASN 11 N 1.29 6.39 0.53 1.64 2.47 0.11 -0.55 114.94 126.82 1wyi s ASN 11 Ca -0.02 -1.77 0.32 0.00 0.42 0.00 0.00 52.86 51.81 1wyi s ASN 11 Cb -0.20 -2.31 1.39 0.00 -1.45 0.00 0.00 41.25 38.67 1wyi s ASN 11 CO -0.03 -1.03 2.00 -0.50 -3.72 0.00 0.00 177.10 173.82 1wyi h TRP 12 N 8.88 0.00 0.00 0.43 6.55 -1.70 -3.41 115.95 126.71 1wyi h TRP 12 Ca -0.12 0.00 0.00 0.00 0.95 0.00 0.00 58.89 59.72 1wyi h TRP 12 Cb 1.06 0.00 0.00 0.00 -0.86 0.00 0.00 29.16 29.36 1wyi h TRP 12 CO 0.95 0.07 0.00 1.63 -1.05 0.00 0.00 178.44 180.05 1wyi n LYS 13 N -3.25 0.00 -3.36 0.49 5.02 -1.26 -3.52 118.16 112.28 1wyi n LYS 13 Ca -0.00 0.00 -0.38 0.00 -2.02 0.00 0.00 58.31 55.90 1wyi n LYS 13 Cb 0.30 0.00 -0.03 0.00 -0.02 0.00 0.00 35.03 35.28 1wyi n LYS 13 CO 0.00 0.00 0.00 -0.12 -0.52 0.00 0.00 177.40 176.76 1wyi n MET 14 N 13.86 3.34 -3.93 1.97 0.00 -1.26 -3.77 117.12 127.33 1wyi n MET 14 Ca 0.00 -4.53 -0.08 0.00 -0.00 0.00 0.00 57.70 53.09 1wyi n MET 14 Cb 0.00 -2.44 -0.08 0.00 0.00 0.00 0.00 33.22 30.70 1wyi n MET 14 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 175.97 175.17 1wyi s ASN 15 N -0.74 0.23 0.00 6.12 0.01 -1.23 -5.13 114.94 114.21 1wyi s ASN 15 Ca 0.31 -0.74 0.00 0.00 -0.71 0.00 0.00 52.86 51.73 1wyi s ASN 15 Cb -0.01 0.29 0.00 0.00 0.41 0.00 0.00 41.25 41.94 1wyi s ASN 15 CO -0.03 -0.67 0.00 0.61 -1.51 0.00 0.00 177.10 175.50 1wyi n GLY 16 N 0.07 -1.97 3.51 0.66 0.00 -1.26 -4.81 105.19 101.39 1wyi n GLY 16 Ca -0.15 -1.50 -0.12 0.00 0.00 0.00 0.00 46.02 44.25 1wyi n GLY 16 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1wyi s ARG 17 N -2.04 1.74 0.12 1.61 1.81 -1.26 -4.93 118.95 116.00 1wyi s ARG 17 Ca 0.00 -1.57 -0.29 0.00 -1.72 0.00 0.00 55.73 52.15 1wyi s ARG 17 Cb 0.00 0.44 -0.09 0.00 -0.45 0.00 0.00 34.95 34.85 1wyi s ARG 17 CO 0.00 -0.72 1.49 0.87 -0.68 0.00 0.00 175.30 176.26 1wyi h LYS 18 N 2.20 -0.29 -0.23 3.54 1.57 -1.98 0.45 116.57 121.83 1wyi h LYS 18 Ca -0.28 0.02 0.03 0.00 -1.87 0.00 0.00 60.65 58.54 1wyi h LYS 18 Cb 1.24 0.07 -0.05 0.00 0.08 0.00 0.00 32.23 33.57 1wyi h LYS 18 CO 0.39 -0.19 -0.33 0.37 -0.57 0.00 0.00 179.45 179.11 1wyi h GLN 19 N -0.30 -0.24 -0.01 3.15 5.75 -1.97 1.63 115.11 123.11 1wyi h GLN 19 Ca 0.08 0.02 0.02 0.00 -0.15 0.00 0.00 58.65 58.61 1wyi h GLN 19 Cb 0.51 0.05 -0.04 0.00 1.07 0.00 0.00 27.48 29.07 1wyi h GLN 19 CO -0.58 -0.16 -0.39 1.03 -2.65 0.00 0.00 178.83 176.08 1wyi h SER 20 N -0.25 -1.20 -0.14 -0.69 0.87 -1.86 -0.87 113.55 109.41 1wyi h SER 20 Ca 0.04 0.14 0.04 0.00 -1.23 0.00 0.00 61.79 60.78 1wyi h SER 20 Cb 0.36 0.46 -0.01 0.00 -0.44 0.00 0.00 62.40 62.77 1wyi h SER 20 CO -0.35 -0.37 0.11 -0.07 -0.53 0.00 0.00 176.83 175.62 1wyi h LEU 21 N -0.48 0.00 -0.39 2.23 4.07 0.15 -0.84 115.31 120.06 1wyi h LEU 21 Ca 0.01 0.00 -0.11 0.00 0.08 0.00 0.00 57.88 57.86 1wyi h LEU 21 Cb 0.52 0.00 -0.01 0.00 1.08 0.00 0.00 40.66 42.25 1wyi h LEU 21 CO -0.27 0.00 -0.17 1.23 -1.08 0.00 0.00 178.44 178.15 1wyi h GLY 22 N 0.00 0.88 1.17 0.83 0.00 0.32 0.16 103.07 106.44 1wyi h GLY 22 Ca 0.07 -0.78 -0.06 0.00 0.00 0.00 0.00 47.33 46.55 1wyi h GLY 22 CO -0.00 0.71 0.17 0.83 0.00 0.00 0.00 176.54 178.25 1wyi h GLU 23 N 0.62 1.03 -0.19 4.80 5.08 0.19 -0.55 114.58 125.56 1wyi h GLU 23 Ca 0.09 -0.23 -0.08 0.00 -1.00 0.00 0.00 59.36 58.14 1wyi h GLU 23 Cb 0.72 -0.15 -0.00 0.00 0.50 0.00 0.00 28.75 29.82 1wyi h GLU 23 CO 0.05 0.90 -0.18 1.25 -1.00 0.00 0.00 179.01 180.03 1wyi h LEU 24 N 0.99 0.50 -0.33 1.33 5.85 -1.22 -2.95 115.31 119.48 1wyi h LEU 24 Ca 0.21 -0.47 -0.00 0.00 0.84 0.00 0.00 57.88 58.46 1wyi h LEU 24 Cb 0.33 -0.14 -0.02 0.00 0.37 0.00 0.00 40.66 41.20 1wyi h LEU 24 CO -0.00 0.87 0.19 0.40 -0.34 0.00 0.00 178.44 179.56 1wyi h ILE 25 N 0.14 1.12 -0.59 4.05 2.04 -0.50 -2.40 117.51 121.37 1wyi h ILE 25 Ca 0.03 -0.28 0.09 0.00 1.00 0.00 0.00 64.86 65.70 1wyi h ILE 25 Cb 0.72 0.72 -0.04 0.00 -0.74 0.00 0.00 36.82 37.49 1wyi h ILE 25 CO 0.05 0.12 0.39 1.23 0.00 0.00 0.00 178.15 179.94 1wyi h GLY 26 N 0.42 0.58 0.54 5.37 0.00 -1.12 -1.82 103.07 107.03 1wyi h GLY 26 Ca 0.12 -0.17 -0.03 0.00 0.00 0.00 0.00 47.33 47.25 1wyi h GLY 26 CO -0.02 0.11 -0.26 -0.84 0.00 0.00 0.00 176.54 175.53 1wyi h THR 27 N 0.42 0.00 -0.82 4.70 2.02 -1.26 -3.10 112.91 114.87 1wyi h THR 27 Ca 0.27 -0.32 0.21 0.00 0.77 0.00 0.00 66.41 67.34 1wyi h THR 27 Cb 0.51 0.00 -0.04 0.00 -1.74 0.00 0.00 68.15 66.87 1wyi h THR 27 CO -0.07 0.00 0.57 -0.07 0.37 0.00 0.00 175.52 176.31 1wyi h LEU 28 N -1.04 0.16 -1.61 2.58 3.38 -1.27 1.21 115.31 118.73 1wyi h LEU 28 Ca -0.07 0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.91 1wyi h LEU 28 Cb 0.55 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 41.29 1wyi h LEU 28 CO 0.12 0.07 0.00 0.78 0.09 0.00 0.00 178.44 179.50 1wyi h ASN 29 N 0.16 0.00 -0.02 -0.43 4.21 -1.31 0.29 115.58 118.48 1wyi h ASN 29 Ca 0.40 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.91 1wyi h ASN 29 Cb 1.33 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 38.53 1wyi h ASN 29 CO -0.07 0.00 -0.30 0.00 -1.29 0.00 0.00 177.43 175.77 1wyi n ALA 30 N -1.97 3.14 -2.63 -0.83 0.00 0.41 -4.89 120.51 113.75 1wyi n ALA 30 Ca -0.00 -0.64 -0.40 0.00 0.00 0.00 0.00 53.44 52.41 1wyi n ALA 30 Cb 0.20 -0.73 -0.07 0.00 0.00 0.00 0.00 19.45 18.84 1wyi n ALA 30 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1wyi s ALA 31 N -2.17 3.58 0.10 0.00 0.00 0.09 -5.03 121.76 118.33 1wyi s ALA 31 Ca 0.20 -0.57 -0.31 0.00 0.00 0.00 0.00 51.96 51.28 1wyi s ALA 31 Cb 0.17 -2.86 -0.08 0.00 0.00 0.00 0.00 23.12 20.35 1wyi s ALA 31 CO 0.45 -0.66 1.47 0.21 0.00 0.00 0.00 175.76 177.22 1wyi s LYS 32 N 2.13 4.27 -0.51 0.00 2.36 -1.26 -4.95 119.74 121.79 1wyi s LYS 32 Ca 0.21 2.16 -0.17 0.00 -2.55 0.00 0.00 55.97 55.62 1wyi s LYS 32 Cb -0.16 -3.33 0.08 0.00 -1.05 0.00 0.00 37.83 33.38 1wyi s LYS 32 CO 0.09 -0.54 0.52 0.08 1.55 0.00 0.00 175.35 177.05 1wyi s VAL 33 N 1.53 5.07 0.24 4.02 1.01 -1.26 -5.05 120.40 125.97 1wyi s VAL 33 Ca 0.67 -0.97 -0.31 0.00 0.00 0.00 0.00 61.98 61.37 1wyi s VAL 33 Cb -0.38 -4.26 -0.11 0.00 0.00 0.00 0.00 36.38 31.62 1wyi s VAL 33 CO 0.30 -0.77 1.65 -2.16 0.00 0.00 0.00 175.10 174.13 1wyi s PRO 34 N 2.05 4.13 0.66 2.72 0.04 -1.26 -4.85 135.00 138.49 1wyi s PRO 34 Ca 0.08 2.57 0.39 0.00 0.04 0.00 0.00 61.00 64.08 1wyi s PRO 34 Cb -0.24 -3.06 2.12 0.00 0.04 0.00 0.00 34.50 33.36 1wyi s PRO 34 CO 0.07 -0.69 2.22 0.00 0.04 0.00 0.00 177.00 178.65 1wyi h ALA 35 N 5.95 1.19 0.00 8.56 0.00 -2.02 0.54 119.26 133.47 1wyi h ALA 35 Ca -0.45 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.46 1wyi h ALA 35 Cb 1.21 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.00 1wyi h ALA 35 CO 0.88 -0.12 0.00 -3.47 0.00 0.00 0.00 179.25 176.54 1wyi n ASP 36 N -3.11 0.00 -4.20 0.00 4.64 -1.26 -4.79 116.55 107.82 1wyi n ASP 36 Ca -0.02 -0.30 -0.13 0.00 -1.38 0.00 0.00 54.79 52.95 1wyi n ASP 36 Cb 0.18 -0.17 -0.10 0.00 -1.04 0.00 0.00 41.12 39.99 1wyi n ASP 36 CO 0.00 0.00 0.00 -0.89 -0.82 0.00 0.00 177.20 175.49 1wyi s THR 37 N -2.34 0.97 -0.26 5.18 2.01 0.19 -2.18 115.64 119.21 1wyi s THR 37 Ca 0.26 -1.87 -0.01 0.00 0.31 0.00 0.00 61.69 60.37 1wyi s THR 37 Cb 0.15 -1.63 0.08 0.00 0.01 0.00 0.00 72.50 71.12 1wyi s THR 37 CO 0.31 -0.71 0.06 -0.70 -0.69 0.00 0.00 174.62 172.89 1wyi s GLU 38 N -3.41 0.75 -0.08 4.92 2.12 0.64 -4.75 118.70 118.89 1wyi s GLU 38 Ca 0.11 -0.82 -0.07 0.00 0.36 0.00 0.00 54.97 54.55 1wyi s GLU 38 Cb 0.01 -2.05 -0.04 0.00 0.26 0.00 0.00 34.13 32.31 1wyi s GLU 38 CO -0.01 -0.83 0.18 0.54 -0.54 0.00 0.00 175.26 174.60 1wyi s VAL 39 N 1.70 5.44 -0.01 3.70 0.11 -1.26 -0.42 120.40 129.66 1wyi s VAL 39 Ca 0.05 0.21 0.00 0.00 -2.93 0.00 0.00 61.98 59.31 1wyi s VAL 39 Cb -0.17 -3.46 0.01 0.00 -1.53 0.00 0.00 36.38 31.23 1wyi s VAL 39 CO -0.18 0.55 0.00 -0.69 -3.33 0.00 0.00 175.10 171.46 1wyi s VAL 40 N -1.10 0.05 -0.18 2.04 1.01 0.18 -2.87 120.40 119.53 1wyi s VAL 40 Ca 0.18 0.05 -0.02 0.00 0.00 0.00 0.00 61.98 62.20 1wyi s VAL 40 Cb -0.13 -0.10 -0.00 0.00 0.00 0.00 0.00 36.38 36.15 1wyi s VAL 40 CO 0.08 0.06 -0.11 0.00 0.00 0.00 0.00 175.10 175.13 1wyi s ALA 42 N 1.09 3.70 0.66 0.00 0.00 0.29 -1.54 121.76 125.97 1wyi s ALA 42 Ca 0.00 -2.84 -0.10 0.00 0.00 0.00 0.00 51.96 49.03 1wyi s ALA 42 Cb -0.15 -3.16 0.01 0.00 0.00 0.00 0.00 23.12 19.83 1wyi s ALA 42 CO -0.03 -2.07 1.03 -1.25 0.00 0.00 0.00 175.76 173.44 1wyi s PRO 43 N 0.94 2.90 0.57 0.00 0.04 -1.22 -2.25 135.00 135.98 1wyi s PRO 43 Ca 0.10 0.31 -0.20 0.00 0.04 0.00 0.00 61.00 61.25 1wyi s PRO 43 Cb -0.22 -2.11 -0.04 0.00 0.04 0.00 0.00 34.50 32.17 1wyi s PRO 43 CO -0.02 -0.91 1.21 -1.25 0.04 0.00 0.00 177.00 176.07 1wyi s PRO 44 N -5.23 3.12 0.35 0.56 0.04 -1.25 -4.19 135.00 128.41 1wyi s PRO 44 Ca 0.57 1.83 0.16 0.00 0.04 0.00 0.00 61.00 63.60 1wyi s PRO 44 Cb -0.11 -2.02 1.11 0.00 0.04 0.00 0.00 34.50 33.52 1wyi s PRO 44 CO 0.50 -1.09 1.67 1.15 0.04 0.00 0.00 177.00 179.27 1wyi h THR 45 N 1.09 0.30 0.00 1.26 2.02 -1.95 0.21 112.91 115.84 1wyi h THR 45 Ca -0.50 -0.11 -0.04 0.00 0.77 0.00 0.00 66.41 66.53 1wyi h THR 45 Cb 1.29 -0.04 -0.01 0.00 -1.74 0.00 0.00 68.15 67.65 1wyi h THR 45 CO 0.56 0.06 -0.20 0.00 0.37 0.00 0.00 175.52 176.31 1wyi h ALA 46 N 1.82 1.43 -0.45 6.16 0.00 -2.00 -3.03 119.26 123.20 1wyi h ALA 46 Ca 0.73 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 55.46 1wyi h ALA 46 Cb 1.72 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.48 1wyi h ALA 46 CO -0.58 0.25 0.00 0.66 0.00 0.00 0.00 179.25 179.58 1wyi n TYR 47 N -3.95 1.34 0.04 0.00 4.01 0.71 -4.59 117.16 114.72 1wyi n TYR 47 Ca -0.02 -0.74 -0.12 0.00 -0.16 0.00 0.00 57.90 56.86 1wyi n TYR 47 Cb 0.29 -0.33 -0.08 0.00 -0.31 0.00 0.00 39.34 38.91 1wyi n TYR 47 CO 0.00 0.00 0.00 0.82 -0.46 0.00 0.00 176.86 177.22 1wyi h ILE 48 N 2.97 1.06 0.52 -0.72 2.04 -1.39 -0.80 117.51 121.18 1wyi h ILE 48 Ca 0.00 -0.23 -0.03 0.00 1.00 0.00 0.00 64.86 65.60 1wyi h ILE 48 Cb 1.53 1.22 0.01 0.00 -0.74 0.00 0.00 36.82 38.83 1wyi h ILE 48 CO 0.28 0.06 -0.25 -0.78 0.00 0.00 0.00 178.15 177.46 1wyi h ASP 49 N -0.12 -0.59 -0.35 1.72 -0.00 -1.83 -1.50 116.42 113.75 1wyi h ASP 49 Ca -0.00 -0.04 0.06 0.00 -0.00 0.00 0.00 57.03 57.05 1wyi h ASP 49 Cb 0.12 0.15 -0.08 0.00 -0.00 0.00 0.00 39.33 39.52 1wyi h ASP 49 CO 0.00 -0.33 -0.47 0.15 -0.00 0.00 0.00 179.24 178.60 1wyi h PHE 50 N -0.84 -1.38 -0.39 0.28 3.57 -1.82 -0.20 116.94 116.16 1wyi h PHE 50 Ca -0.07 0.07 0.04 0.00 3.53 0.00 0.00 57.97 61.54 1wyi h PHE 50 Cb 0.59 0.65 -0.04 0.00 2.79 0.00 0.00 35.95 39.94 1wyi h PHE 50 CO -0.01 -0.47 0.16 0.00 -2.23 0.00 0.00 178.31 175.76 1wyi h ALA 51 N 0.22 0.46 -0.60 2.41 0.00 -1.15 -1.40 119.26 119.20 1wyi h ALA 51 Ca 0.11 0.03 0.05 0.00 0.00 0.00 0.00 54.91 55.10 1wyi h ALA 51 Cb 0.60 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.35 1wyi h ALA 51 CO -0.55 -0.22 0.40 -0.09 0.00 0.00 0.00 179.25 178.79 1wyi h ARG 52 N 0.33 0.59 -0.12 0.00 9.65 -0.51 1.79 114.38 126.11 1wyi h ARG 52 Ca 0.17 -0.04 -0.20 0.00 -1.10 0.00 0.00 59.98 58.82 1wyi h ARG 52 Cb 0.12 -0.13 0.00 0.00 -1.39 0.00 0.00 29.97 28.57 1wyi h ARG 52 CO -0.15 0.39 -0.74 1.96 2.80 0.00 0.00 179.97 184.23 1wyi h GLN 53 N 0.60 0.57 0.06 0.20 4.20 -0.32 -3.32 115.11 117.10 1wyi h GLN 53 Ca 0.25 -0.46 -0.32 0.00 0.06 0.00 0.00 58.65 58.18 1wyi h GLN 53 Cb 0.24 0.09 -0.03 0.00 0.30 0.00 0.00 27.48 28.07 1wyi h GLN 53 CO -0.07 1.08 -1.82 0.87 -0.67 0.00 0.00 178.83 178.22 1wyi h LYS 54 N 0.39 0.13 -7.12 1.46 1.79 -0.44 -3.48 116.57 109.30 1wyi h LYS 54 Ca -0.04 -0.22 -0.53 0.00 -2.18 0.00 0.00 60.65 57.68 1wyi h LYS 54 Cb 1.33 0.08 0.12 0.00 -1.58 0.00 0.00 32.23 32.18 1wyi h LYS 54 CO 0.14 0.84 0.46 -1.17 -1.08 0.00 0.00 179.45 178.63 1wyi s LEU 55 N -6.55 3.59 0.26 2.94 2.96 0.60 -4.90 118.68 117.59 1wyi s LEU 55 Ca -0.12 2.40 -0.30 0.00 -0.22 0.00 0.00 54.13 55.89 1wyi s LEU 55 Cb 0.07 -4.60 -0.10 0.00 0.50 0.00 0.00 46.19 42.07 1wyi s LEU 55 CO 0.80 -1.74 1.36 -0.62 -1.32 0.00 0.00 176.35 174.83 1wyi s ASP 56 N -1.68 6.77 0.41 3.68 2.15 -1.26 -4.90 116.67 121.84 1wyi s ASP 56 Ca 0.77 2.59 0.16 0.00 0.43 0.00 0.00 52.55 56.50 1wyi s ASP 56 Cb -0.31 -2.63 1.04 0.00 -0.30 0.00 0.00 42.92 40.73 1wyi s ASP 56 CO 0.36 -0.60 1.86 -0.65 -0.17 0.00 0.00 175.17 175.98 1wyi h PRO 57 N 4.67 0.43 0.00 4.34 0.11 -1.93 0.29 132.00 139.91 1wyi h PRO 57 Ca -0.46 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.62 1wyi h PRO 57 Cb 1.22 -0.10 0.00 0.00 0.11 0.00 0.00 31.00 32.23 1wyi h PRO 57 CO 0.74 0.29 0.00 0.87 -0.21 0.00 0.00 178.00 179.69 1wyi h LYS 58 N 0.45 0.00 -5.72 1.05 1.79 -1.99 -3.40 116.57 108.74 1wyi h LYS 58 Ca 0.46 0.00 -0.66 0.00 -2.18 0.00 0.00 60.65 58.27 1wyi h LYS 58 Cb 1.08 0.00 -0.18 0.00 -1.58 0.00 0.00 32.23 31.55 1wyi h LYS 58 CO -0.18 0.00 -0.64 0.42 -1.08 0.00 0.00 179.45 177.97 1wyi s ILE 59 N -3.42 4.11 0.08 1.86 1.01 0.10 -4.76 121.20 120.18 1wyi s ILE 59 Ca 0.02 -0.30 -0.06 0.00 0.00 0.00 0.00 60.65 60.31 1wyi s ILE 59 Cb 0.09 -2.76 -0.05 0.00 0.01 0.00 0.00 42.46 39.75 1wyi s ILE 59 CO 0.37 0.56 0.32 0.00 0.00 0.00 0.00 174.94 176.19 1wyi s ALA 60 N -0.35 3.83 -0.05 9.38 0.00 -1.14 -4.66 121.76 128.76 1wyi s ALA 60 Ca 0.06 -0.57 -0.03 0.00 0.00 0.00 0.00 51.96 51.42 1wyi s ALA 60 Cb -0.12 -2.09 -0.04 0.00 0.00 0.00 0.00 23.12 20.87 1wyi s ALA 60 CO 0.02 0.67 0.12 0.08 0.00 0.00 0.00 175.76 176.65 1wyi s VAL 61 N -1.47 5.12 -0.04 0.00 1.01 -1.26 -1.18 120.40 122.58 1wyi s VAL 61 Ca 0.34 -0.12 0.00 0.00 0.00 0.00 0.00 61.98 62.20 1wyi s VAL 61 Cb -0.13 -3.30 0.03 0.00 0.00 0.00 0.00 36.38 32.98 1wyi s VAL 61 CO 0.21 0.46 -0.01 0.00 0.00 0.00 0.00 175.10 175.76 1wyi s ALA 62 N -1.14 0.45 0.89 5.51 0.00 -0.59 -1.98 121.76 124.89 1wyi s ALA 62 Ca 0.20 0.07 -0.10 0.00 0.00 0.00 0.00 51.96 52.14 1wyi s ALA 62 Cb -0.12 -0.42 0.13 0.00 0.00 0.00 0.00 23.12 22.71 1wyi s ALA 62 CO 0.11 -0.14 1.13 0.00 0.00 0.00 0.00 175.76 176.86 1wyi s ALA 63 N 1.19 1.58 -2.66 0.00 0.00 -0.94 -3.46 121.76 117.47 1wyi s ALA 63 Ca -0.07 0.50 0.24 0.00 0.00 0.00 0.00 51.96 52.62 1wyi s ALA 63 Cb -0.13 -3.40 0.48 0.00 0.00 0.00 0.00 23.12 20.06 1wyi s ALA 63 CO -0.02 -2.58 1.43 1.04 0.00 0.00 0.00 175.76 175.62 1wyi n GLN 64 N -4.10 2.19 0.00 0.00 6.02 -1.26 -2.00 117.38 118.22 1wyi n GLN 64 Ca 0.11 -1.76 0.00 0.00 -0.01 0.00 0.00 57.00 55.34 1wyi n GLN 64 Cb 0.52 -1.47 0.00 0.00 1.02 0.00 0.00 30.24 30.31 1wyi n GLN 64 CO 0.00 0.00 0.00 -1.71 -1.01 0.00 0.00 177.06 174.34 1wyi n ASN 65 N 1.05 0.00 -3.22 1.08 5.15 -1.21 -4.45 115.26 113.67 1wyi n ASN 65 Ca 0.17 0.00 -0.06 0.00 -0.60 0.00 0.00 54.58 54.08 1wyi n ASN 65 Cb 0.52 0.00 0.02 0.00 -0.53 0.00 0.00 39.78 39.79 1wyi n ASN 65 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1wyi n TYR 67 N -0.58 -1.83 -0.96 0.00 9.36 0.28 -4.89 117.16 118.55 1wyi n TYR 67 Ca -0.06 -1.03 0.07 0.00 3.32 0.00 0.00 57.90 60.21 1wyi n TYR 67 Cb 0.60 -0.23 0.33 0.00 -0.63 0.00 0.00 39.34 39.41 1wyi n TYR 67 CO 0.00 0.00 0.00 0.36 0.22 0.00 0.00 176.86 177.44 1wyi n LYS 68 N -1.32 3.88 -3.77 2.98 2.85 -1.26 -4.41 118.16 117.10 1wyi n LYS 68 Ca 0.03 -3.01 -0.13 0.00 -1.05 0.00 0.00 58.31 54.15 1wyi n LYS 68 Cb 0.28 -2.06 -0.10 0.00 -0.65 0.00 0.00 35.03 32.50 1wyi n LYS 68 CO 0.00 0.00 0.00 0.14 -0.05 0.00 0.00 177.40 177.49 1wyi s VAL 69 N -2.82 0.02 0.35 0.58 -7.23 -1.26 -4.86 120.40 105.19 1wyi s VAL 69 Ca 0.49 -0.19 0.10 0.00 -1.81 0.00 0.00 61.98 60.56 1wyi s VAL 69 Cb 0.38 -0.48 0.33 0.00 0.56 0.00 0.00 36.38 37.17 1wyi s VAL 69 CO 0.12 -0.11 1.85 0.71 -0.31 0.00 0.00 175.10 177.36 1wyi h THR 70 N 4.40 0.79 -2.56 5.32 1.35 -1.97 -3.42 112.91 116.82 1wyi h THR 70 Ca -0.28 -0.23 -0.05 0.00 -0.55 0.00 0.00 66.41 65.30 1wyi h THR 70 Cb 1.19 0.06 -0.16 0.00 -1.73 0.00 0.00 68.15 67.50 1wyi h THR 70 CO 0.35 0.12 0.11 0.20 -0.25 0.00 0.00 175.52 176.05 1wyi s ASN 71 N -5.68 -0.53 0.00 5.36 0.01 -1.26 -4.70 114.94 108.14 1wyi s ASN 71 Ca -0.10 0.33 0.00 0.00 -0.71 0.00 0.00 52.86 52.38 1wyi s ASN 71 Cb 0.23 0.52 0.00 0.00 0.41 0.00 0.00 41.25 42.41 1wyi s ASN 71 CO 0.79 -0.72 0.00 0.61 -1.51 0.00 0.00 177.10 176.27 1wyi n GLY 72 N 0.46 0.04 3.28 0.66 0.00 -1.26 -5.01 105.19 103.35 1wyi n GLY 72 Ca -0.18 -1.16 -0.43 0.00 0.00 0.00 0.00 46.02 44.25 1wyi n GLY 72 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1wyi n ALA 73 N -0.73 4.28 -3.20 4.61 0.00 -1.26 -4.68 120.51 119.54 1wyi n ALA 73 Ca 0.00 -3.95 -0.23 0.00 0.00 0.00 0.00 53.44 49.26 1wyi n ALA 73 Cb 0.00 -3.47 -0.06 0.00 0.00 0.00 0.00 19.45 15.93 1wyi n ALA 73 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 1wyi n PHE 74 N 7.04 0.53 -1.56 0.00 3.72 -1.26 -5.10 117.46 120.82 1wyi n PHE 74 Ca 0.47 -3.73 -0.54 0.00 -0.05 0.00 0.00 57.45 53.60 1wyi n PHE 74 Cb 0.43 -0.40 -0.07 0.00 -0.94 0.00 0.00 39.48 38.50 1wyi n PHE 74 CO 0.00 0.00 0.00 2.41 -0.05 0.00 0.00 176.76 179.12 1wyi n THR 75 N 0.90 0.00 -0.29 4.37 -1.04 -1.26 -0.97 114.28 116.00 1wyi n THR 75 Ca 0.24 -0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.25 1wyi n THR 75 Cb 0.55 -0.56 0.00 0.00 -1.82 0.00 0.00 70.33 68.49 1wyi n THR 75 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1wyi n GLY 76 N 2.20 1.08 3.77 3.41 0.00 -1.26 -5.05 105.19 109.35 1wyi n GLY 76 Ca 0.19 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.99 1wyi n GLY 76 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1wyi s GLU 77 N -0.50 2.58 0.06 1.61 0.41 -0.14 -5.13 118.70 117.60 1wyi s GLU 77 Ca 0.00 -1.34 0.04 0.00 -0.41 0.00 0.00 54.97 53.26 1wyi s GLU 77 Cb 0.00 -2.34 -0.03 0.00 -1.78 0.00 0.00 34.13 29.98 1wyi s GLU 77 CO 0.00 0.22 -0.12 0.42 -0.49 0.00 0.00 175.26 175.29 1wyi s ILE 78 N -2.31 0.91 0.16 -1.63 -1.09 -1.26 -5.00 121.20 110.98 1wyi s ILE 78 Ca 0.36 -1.26 0.04 0.00 -2.23 0.00 0.00 60.65 57.56 1wyi s ILE 78 Cb -0.05 -0.94 -0.04 0.00 -1.58 0.00 0.00 42.46 39.85 1wyi s ILE 78 CO 0.24 -0.30 0.18 -0.94 -1.23 0.00 0.00 174.94 172.88 1wyi s SER 79 N -1.75 5.76 0.33 3.58 1.04 -1.26 0.99 113.70 122.39 1wyi s SER 79 Ca -0.04 -0.04 0.10 0.00 0.48 0.00 0.00 55.95 56.44 1wyi s SER 79 Cb -0.09 -1.58 0.87 0.00 0.10 0.00 0.00 66.02 65.31 1wyi s SER 79 CO 0.01 0.06 1.76 -0.65 0.98 0.00 0.00 173.24 175.40 1wyi h PRO 80 N 2.32 0.60 -0.12 4.02 0.11 -1.83 0.10 132.00 137.20 1wyi h PRO 80 Ca -0.48 -0.04 0.04 0.00 0.11 0.00 0.00 66.00 65.64 1wyi h PRO 80 Cb 1.20 -0.14 -0.05 0.00 0.11 0.00 0.00 31.00 32.12 1wyi h PRO 80 CO 0.65 0.40 -0.18 0.78 -0.21 0.00 0.00 178.00 179.44 1wyi h GLY 81 N 0.62 -0.13 0.63 -0.55 0.00 -1.89 -0.73 103.07 101.02 1wyi h GLY 81 Ca 0.61 0.22 0.05 0.00 0.00 0.00 0.00 47.33 48.20 1wyi h GLY 81 CO -0.41 -0.17 0.08 -0.33 0.00 0.00 0.00 176.54 175.72 1wyi h MET 82 N -0.23 0.20 -0.09 4.80 2.86 -1.14 0.58 114.93 121.92 1wyi h MET 82 Ca 0.09 -0.01 0.04 0.00 -2.06 0.00 0.00 59.70 57.76 1wyi h MET 82 Cb 0.36 -0.05 -0.04 0.00 0.06 0.00 0.00 31.60 31.94 1wyi h MET 82 CO -0.26 0.14 -0.15 0.82 1.06 0.00 0.00 176.91 178.52 1wyi h ILE 83 N 0.21 0.61 -0.90 -1.22 2.04 -1.05 -0.82 117.51 116.38 1wyi h ILE 83 Ca 0.16 0.00 0.01 0.00 1.00 0.00 0.00 64.86 66.03 1wyi h ILE 83 Cb 0.17 0.61 -0.04 0.00 -0.74 0.00 0.00 36.82 36.81 1wyi h ILE 83 CO -0.20 0.00 0.60 0.50 0.00 0.00 0.00 178.15 179.05 1wyi h LYS 84 N -0.20 1.19 0.00 2.37 3.64 -0.70 -1.14 116.57 121.72 1wyi h LYS 84 Ca 0.08 -0.07 -0.00 0.00 -1.27 0.00 0.00 60.65 59.39 1wyi h LYS 84 Cb 0.32 -0.27 -0.00 0.00 -0.41 0.00 0.00 32.23 31.87 1wyi h LYS 84 CO -0.21 0.78 -0.00 0.22 -2.27 0.00 0.00 179.45 177.98 1wyi h ASP 85 N 1.22 0.00 -0.55 4.20 3.58 0.14 -0.28 116.42 124.73 1wyi h ASP 85 Ca 0.33 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.78 1wyi h ASP 85 Cb -0.14 0.00 0.00 0.00 1.72 0.00 0.00 39.33 40.91 1wyi h ASP 85 CO -0.07 0.00 0.00 0.00 -2.88 0.00 0.00 179.24 176.29 1wyi n GLY 87 N 1.43 1.27 3.78 0.00 0.00 -0.12 -4.69 105.19 106.87 1wyi n GLY 87 Ca 0.19 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.84 1wyi n GLY 87 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1wyi s ALA 88 N -3.34 3.19 -0.32 4.61 0.00 -0.89 -4.74 121.76 120.28 1wyi s ALA 88 Ca 0.00 0.58 0.08 0.00 0.00 0.00 0.00 51.96 52.63 1wyi s ALA 88 Cb 0.00 -3.21 -0.10 0.00 0.00 0.00 0.00 23.12 19.81 1wyi s ALA 88 CO 0.00 0.07 0.32 0.25 0.00 0.00 0.00 175.76 176.40 1wyi n THR 89 N 0.45 0.00 -4.48 0.00 -2.24 -0.84 -3.73 114.28 103.44 1wyi n THR 89 Ca 0.02 -0.28 -0.23 0.00 -2.27 0.00 0.00 64.05 61.29 1wyi n THR 89 Cb 0.50 0.87 -0.11 0.00 -2.10 0.00 0.00 70.33 69.49 1wyi n THR 89 CO 0.00 0.00 0.00 0.26 -0.57 0.00 0.00 175.07 174.76 1wyi s TRP 90 N -1.94 2.11 -0.09 4.78 0.52 -1.17 0.17 118.94 123.32 1wyi s TRP 90 Ca 0.02 -0.74 -0.09 0.00 0.02 0.00 0.00 56.10 55.30 1wyi s TRP 90 Cb 0.06 -1.32 0.02 0.00 -1.15 0.00 0.00 33.47 31.09 1wyi s TRP 90 CO 0.34 0.27 0.26 0.54 0.02 0.00 0.00 176.95 178.39 1wyi s VAL 91 N -2.99 0.00 -0.24 4.03 0.11 0.72 -2.22 120.40 119.81 1wyi s VAL 91 Ca 0.33 -0.04 -0.12 0.00 -2.93 0.00 0.00 61.98 59.21 1wyi s VAL 91 Cb 0.06 -0.39 -0.05 0.00 -1.53 0.00 0.00 36.38 34.48 1wyi s VAL 91 CO 0.15 -0.02 0.25 -0.69 -3.33 0.00 0.00 175.10 171.45 1wyi s VAL 92 N 0.04 5.29 0.02 2.04 1.01 -0.85 0.74 120.40 128.69 1wyi s VAL 92 Ca -0.01 0.36 0.03 0.00 0.00 0.00 0.00 61.98 62.36 1wyi s VAL 92 Cb -0.02 -3.58 -0.02 0.00 0.00 0.00 0.00 36.38 32.76 1wyi s VAL 92 CO 0.01 0.29 -0.10 -0.76 0.00 0.00 0.00 175.10 174.54 1wyi s LEU 93 N 1.29 2.12 0.00 3.92 1.43 -0.59 -3.30 118.68 123.55 1wyi s LEU 93 Ca 0.11 -0.34 0.00 0.00 -1.03 0.00 0.00 54.13 52.87 1wyi s LEU 93 Cb -0.14 -0.44 0.00 0.00 0.03 0.00 0.00 46.19 45.64 1wyi s LEU 93 CO 0.07 0.02 0.00 0.61 0.23 0.00 0.00 176.35 177.27 1wyi n GLY 94 N 2.25 0.75 3.54 -3.19 0.00 -1.26 0.11 105.19 107.38 1wyi n GLY 94 Ca -0.17 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.45 1wyi n GLY 94 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 1wyi n HIS 95 N -2.40 0.22 -0.33 1.61 -0.00 -1.26 -4.38 115.22 108.68 1wyi n HIS 95 Ca 0.00 0.52 0.03 0.00 0.46 0.00 0.00 57.72 58.73 1wyi n HIS 95 Cb 0.00 -2.08 0.11 0.00 -0.12 0.00 0.00 29.99 27.89 1wyi n HIS 95 CO 0.00 0.00 0.00 1.03 0.46 0.00 0.00 176.34 177.83 1wyi h SER 96 N 0.84 -0.93 0.22 0.26 0.87 -1.93 -0.23 113.55 112.66 1wyi h SER 96 Ca -0.44 0.28 -0.12 0.00 -1.23 0.00 0.00 61.79 60.28 1wyi h SER 96 Cb 1.37 0.59 -0.01 0.00 -0.44 0.00 0.00 62.40 63.91 1wyi h SER 96 CO 0.52 -0.30 -0.44 -0.33 -0.53 0.00 0.00 176.83 175.75 1wyi h GLU 97 N -0.01 0.27 -0.55 2.24 5.08 -1.95 -0.68 114.58 118.99 1wyi h GLU 97 Ca 0.42 -0.14 -0.07 0.00 -1.00 0.00 0.00 59.36 58.57 1wyi h GLU 97 Cb 0.65 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.88 1wyi h GLU 97 CO -0.94 0.67 0.08 -0.09 -1.00 0.00 0.00 179.01 177.73 1wyi h ARG 98 N 0.23 0.88 0.00 2.33 9.65 -1.37 -1.09 114.38 125.00 1wyi h ARG 98 Ca 0.02 -0.21 -0.22 0.00 -1.10 0.00 0.00 59.98 58.46 1wyi h ARG 98 Cb 0.88 -0.12 -0.04 0.00 -1.39 0.00 0.00 29.97 29.30 1wyi h ARG 98 CO 0.07 0.83 -2.21 2.89 2.80 0.00 0.00 179.97 184.35 1wyi n ARG 99 N -4.24 0.73 0.00 0.20 1.85 -1.01 -1.20 116.66 113.00 1wyi n ARG 99 Ca 0.04 -0.08 0.11 0.00 -1.00 0.00 0.00 57.85 56.91 1wyi n ARG 99 Cb 0.27 -1.50 -0.03 0.00 -1.05 0.00 0.00 32.46 30.14 1wyi n ARG 99 CO 0.00 0.00 0.00 0.72 -0.01 0.00 0.00 177.63 178.34 1wyi n HIS 100 N -2.54 0.04 -0.01 2.89 8.25 -0.26 -2.85 115.22 120.73 1wyi n HIS 100 Ca -0.22 0.01 -0.01 0.00 -0.26 0.00 0.00 57.72 57.24 1wyi n HIS 100 Cb 0.92 -0.15 -0.01 0.00 1.12 0.00 0.00 29.99 31.87 1wyi n HIS 100 CO 0.00 0.00 0.00 0.28 0.64 0.00 0.00 176.34 177.26 1wyi n VAL 101 N -1.63 0.12 -0.92 1.59 0.31 -0.45 -4.69 118.33 112.67 1wyi n VAL 101 Ca 0.03 -0.06 0.08 0.00 -0.01 0.00 0.00 64.34 64.39 1wyi n VAL 101 Cb 0.37 -0.73 0.27 0.00 -0.91 0.00 0.00 33.84 32.84 1wyi n VAL 101 CO 0.00 0.00 0.00 0.49 -1.32 0.00 0.00 176.83 176.00 1wyi n PHE 102 N -2.37 1.03 -3.25 3.52 3.72 -0.97 -5.00 117.46 114.13 1wyi n PHE 102 Ca -0.03 -0.83 -0.19 0.00 -0.05 0.00 0.00 57.45 56.34 1wyi n PHE 102 Cb 0.55 -0.31 -0.02 0.00 -0.94 0.00 0.00 39.48 38.76 1wyi n PHE 102 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1wyi n GLY 103 N -0.29 -0.47 3.67 1.37 0.00 -1.13 -4.83 105.19 103.50 1wyi n GLY 103 Ca 0.21 0.05 -0.42 0.00 0.00 0.00 0.00 46.02 45.86 1wyi n GLY 103 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1wyi s GLU 104 N -5.86 4.23 0.68 1.61 2.02 -0.34 -4.93 118.70 116.10 1wyi s GLU 104 Ca 0.33 1.99 -0.11 0.00 0.02 0.00 0.00 54.97 57.19 1wyi s GLU 104 Cb -0.18 -3.79 -0.00 0.00 0.10 0.00 0.00 34.13 30.25 1wyi s GLU 104 CO 0.40 -0.73 1.07 -1.12 0.02 0.00 0.00 175.26 174.91 1wyi s SER 105 N 2.52 5.71 0.27 -0.19 0.01 -1.26 -4.38 113.70 116.38 1wyi s SER 105 Ca 0.66 1.24 -0.04 0.00 1.31 0.00 0.00 55.95 59.12 1wyi s SER 105 Cb -0.30 -2.13 0.34 0.00 0.21 0.00 0.00 66.02 64.14 1wyi s SER 105 CO 0.25 -1.18 1.93 0.44 0.41 0.00 0.00 173.24 175.08 1wyi h ASP 106 N -0.54 1.08 0.23 2.44 3.32 -1.98 -0.43 116.42 120.54 1wyi h ASP 106 Ca -0.45 -0.02 -0.00 0.00 0.02 0.00 0.00 57.03 56.58 1wyi h ASP 106 Cb 1.23 -0.26 -0.02 0.00 0.22 0.00 0.00 39.33 40.50 1wyi h ASP 106 CO 0.63 0.76 -0.33 -0.08 -1.72 0.00 0.00 179.24 178.50 1wyi h GLU 107 N 1.27 -0.57 -0.59 3.56 4.81 -1.97 0.70 114.58 121.79 1wyi h GLU 107 Ca 0.37 0.04 0.12 0.00 -0.13 0.00 0.00 59.36 59.75 1wyi h GLU 107 Cb -0.08 0.13 -0.11 0.00 0.63 0.00 0.00 28.75 29.31 1wyi h GLU 107 CO -0.09 -0.38 -0.13 1.25 -0.73 0.00 0.00 179.01 178.93 1wyi h LEU 108 N -0.59 -0.52 -1.49 1.64 7.12 -1.85 0.21 115.31 119.82 1wyi h LEU 108 Ca -0.03 0.18 0.01 0.00 0.13 0.00 0.00 57.88 58.17 1wyi h LEU 108 Cb 0.54 0.36 -0.03 0.00 -0.53 0.00 0.00 40.66 41.00 1wyi h LEU 108 CO -0.10 -0.19 0.34 0.40 -0.13 0.00 0.00 178.44 178.77 1wyi h ILE 109 N 0.01 1.13 -0.16 4.05 2.04 -0.54 0.27 117.51 124.30 1wyi h ILE 109 Ca 0.29 -0.24 -0.10 0.00 1.00 0.00 0.00 64.86 65.81 1wyi h ILE 109 Cb 0.44 0.37 -0.01 0.00 -0.74 0.00 0.00 36.82 36.88 1wyi h ILE 109 CO -0.60 0.13 -0.35 1.23 0.00 0.00 0.00 178.15 178.56 1wyi h GLY 110 N 0.70 0.37 1.26 5.37 0.00 0.35 -1.37 103.07 109.74 1wyi h GLY 110 Ca 0.19 -0.33 -0.22 0.00 0.00 0.00 0.00 47.33 46.98 1wyi h GLY 110 CO -0.04 0.30 -0.78 1.46 0.00 0.00 0.00 176.54 177.47 1wyi h GLN 111 N 0.29 0.72 -0.33 4.80 4.20 -0.09 -1.74 115.11 122.97 1wyi h GLN 111 Ca 0.03 -0.60 -0.01 0.00 0.06 0.00 0.00 58.65 58.14 1wyi h GLN 111 Cb 0.75 0.13 -0.02 0.00 0.30 0.00 0.00 27.48 28.64 1wyi h GLN 111 CO 0.06 1.21 0.17 0.87 -0.67 0.00 0.00 178.83 180.46 1wyi h LYS 112 N 0.49 0.46 -0.23 1.46 1.57 -0.74 -1.34 116.57 118.23 1wyi h LYS 112 Ca -0.05 -0.06 0.01 0.00 -1.87 0.00 0.00 60.65 58.68 1wyi h LYS 112 Cb 1.40 -0.09 -0.02 0.00 0.08 0.00 0.00 32.23 33.61 1wyi h LYS 112 CO 0.16 0.41 0.12 0.28 -0.57 0.00 0.00 179.45 179.85 1wyi h VAL 113 N 0.40 1.00 -0.42 0.50 2.07 -1.24 0.30 116.25 118.86 1wyi h VAL 113 Ca 0.11 -0.08 0.01 0.00 0.82 0.00 0.00 66.70 67.56 1wyi h VAL 113 Cb 0.10 0.73 -0.02 0.00 -1.52 0.00 0.00 31.29 30.57 1wyi h VAL 113 CO -0.02 0.05 0.26 0.00 0.02 0.00 0.00 177.57 177.88 1wyi h ALA 114 N 1.12 0.53 -0.43 1.67 0.00 -1.16 -1.38 119.26 119.61 1wyi h ALA 114 Ca 0.09 -0.02 -0.11 0.00 0.00 0.00 0.00 54.91 54.88 1wyi h ALA 114 Cb 0.02 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.66 1wyi h ALA 114 CO -0.06 -0.05 -0.18 1.25 0.00 0.00 0.00 179.25 180.20 1wyi h HIS 115 N 0.53 0.93 -0.02 0.00 6.17 -0.86 -1.29 115.15 120.60 1wyi h HIS 115 Ca 0.16 -0.20 -0.00 0.00 0.71 0.00 0.00 60.37 61.04 1wyi h HIS 115 Cb -0.02 -0.23 -0.00 0.00 2.52 0.00 0.00 27.41 29.68 1wyi h HIS 115 CO -0.06 0.94 0.01 0.00 0.71 0.00 0.00 177.93 179.52 1wyi h ALA 116 N 1.06 0.03 -0.29 5.26 0.00 -0.17 -1.00 119.26 124.14 1wyi h ALA 116 Ca 0.11 -0.10 -0.00 0.00 0.00 0.00 0.00 54.91 54.91 1wyi h ALA 116 Cb 0.70 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.47 1wyi h ALA 116 CO 0.05 -0.37 0.18 -0.07 0.00 0.00 0.00 179.25 179.04 1wyi h LEU 117 N -0.17 0.34 -2.51 0.00 3.38 -1.23 -1.41 115.31 113.71 1wyi h LEU 117 Ca 0.01 -0.04 0.00 0.00 0.09 0.00 0.00 57.88 57.94 1wyi h LEU 117 Cb 0.20 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 40.87 1wyi h LEU 117 CO -0.00 0.28 0.00 0.00 0.09 0.00 0.00 178.44 178.81 1wyi h ALA 118 N 1.08 1.00 -0.09 1.53 0.00 -1.02 -1.53 119.26 120.23 1wyi h ALA 118 Ca 0.10 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.01 1wyi h ALA 118 Cb -0.01 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.78 1wyi h ALA 118 CO -0.02 0.00 0.00 0.39 0.00 0.00 0.00 179.25 179.62 1wyi n GLU 119 N -2.85 2.01 -0.30 0.00 -0.58 -0.40 -4.92 120.64 113.61 1wyi n GLU 119 Ca -0.02 -1.48 0.00 0.00 -0.42 0.00 0.00 57.16 55.23 1wyi n GLU 119 Cb 0.07 -1.47 0.00 0.00 -0.57 0.00 0.00 31.44 29.47 1wyi n GLU 119 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1wyi n GLY 120 N 1.27 0.76 3.90 0.62 0.00 -0.58 -4.87 105.19 106.30 1wyi n GLY 120 Ca 0.17 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.90 1wyi n GLY 120 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1wyi s LEU 121 N 0.00 4.11 0.21 0.99 1.43 -0.69 -5.02 118.68 119.71 1wyi s LEU 121 Ca 0.00 0.71 -0.06 0.00 -1.03 0.00 0.00 54.13 53.75 1wyi s LEU 121 Cb 0.00 -3.51 -0.06 0.00 0.03 0.00 0.00 46.19 42.65 1wyi s LEU 121 CO 0.00 -0.14 0.47 -0.83 0.23 0.00 0.00 176.35 176.08 1wyi s GLY 122 N -2.97 2.13 0.04 -3.19 0.00 0.45 -4.07 107.32 99.71 1wyi s GLY 122 Ca 0.44 -0.49 0.03 0.00 0.00 0.00 0.00 44.72 44.70 1wyi s GLY 122 CO 0.28 -0.39 -0.10 -1.34 0.00 0.00 0.00 173.10 171.55 1wyi s VAL 123 N -1.82 0.74 -0.52 1.40 -7.23 -0.97 -0.20 120.40 111.79 1wyi s VAL 123 Ca 0.44 -0.92 -0.05 0.00 -1.81 0.00 0.00 61.98 59.63 1wyi s VAL 123 Cb -0.11 -0.72 0.14 0.00 0.56 0.00 0.00 36.38 36.24 1wyi s VAL 123 CO 0.25 -0.17 0.36 -0.63 -0.31 0.00 0.00 175.10 174.60 1wyi s ILE 124 N -0.99 3.83 -0.10 -0.62 1.01 0.23 -1.95 121.20 122.60 1wyi s ILE 124 Ca -0.04 -2.30 -0.28 0.00 0.00 0.00 0.00 60.65 58.02 1wyi s ILE 124 Cb -0.08 -3.53 -0.02 0.00 0.01 0.00 0.00 42.46 38.84 1wyi s ILE 124 CO 0.01 -0.80 0.95 0.00 0.00 0.00 0.00 174.94 175.10 1wyi s ALA 125 N 0.75 3.39 0.03 9.38 0.00 -0.50 -1.55 121.76 133.26 1wyi s ALA 125 Ca 0.11 0.31 -0.01 0.00 0.00 0.00 0.00 51.96 52.37 1wyi s ALA 125 Cb -0.22 -3.35 -0.04 0.00 0.00 0.00 0.00 23.12 19.51 1wyi s ALA 125 CO -0.03 -0.54 0.20 0.00 0.00 0.00 0.00 175.76 175.39 1wyi s ILE 127 N -1.43 0.00 0.00 0.00 -4.36 0.34 -4.56 121.20 111.19 1wyi s ILE 127 Ca 0.32 -1.55 0.00 0.00 -0.26 0.00 0.00 60.65 59.15 1wyi s ILE 127 Cb -0.13 -2.39 0.00 0.00 1.25 0.00 0.00 42.46 41.19 1wyi s ILE 127 CO 0.24 0.00 0.00 0.61 0.24 0.00 0.00 174.94 176.03 1wyi n GLY 128 N -0.42 3.93 3.98 6.27 0.00 -1.26 -0.74 105.19 116.95 1wyi n GLY 128 Ca -0.00 -0.76 -0.20 0.00 0.00 0.00 0.00 46.02 45.06 1wyi n GLY 128 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1wyi s GLU 129 N -2.62 2.95 0.61 1.61 1.03 -1.26 -4.88 118.70 116.14 1wyi s GLU 129 Ca 0.00 -0.92 0.07 0.00 0.03 0.00 0.00 54.97 54.14 1wyi s GLU 129 Cb 0.00 -2.70 0.10 0.00 -0.80 0.00 0.00 34.13 30.72 1wyi s GLU 129 CO 0.00 -0.20 0.84 0.15 -1.33 0.00 0.00 175.26 174.72 1wyi s LYS 130 N -4.38 2.15 0.18 -4.83 1.02 -1.26 -3.35 119.74 109.27 1wyi s LYS 130 Ca 0.50 -1.48 -0.10 0.00 0.02 0.00 0.00 55.97 54.90 1wyi s LYS 130 Cb -0.10 -2.57 0.07 0.00 -0.52 0.00 0.00 37.83 34.72 1wyi s LYS 130 CO 0.34 -1.00 1.67 1.25 -0.92 0.00 0.00 175.35 176.69 1wyi h LEU 131 N 0.00 0.99 -0.97 3.17 5.85 -1.90 0.76 115.31 123.21 1wyi h LEU 131 Ca -0.32 -0.26 -0.06 0.00 0.84 0.00 0.00 57.88 58.08 1wyi h LEU 131 Cb 1.28 -0.26 -0.03 0.00 0.37 0.00 0.00 40.66 42.02 1wyi h LEU 131 CO 0.41 1.00 0.12 -2.24 -0.34 0.00 0.00 178.44 177.39 1wyi h ASP 132 N 0.94 0.81 0.09 1.25 2.03 -1.95 0.15 116.42 119.75 1wyi h ASP 132 Ca 0.19 -0.15 -0.29 0.00 -0.73 0.00 0.00 57.03 56.04 1wyi h ASP 132 Cb 0.43 -0.21 0.03 0.00 -0.83 0.00 0.00 39.33 38.75 1wyi h ASP 132 CO 0.01 0.80 -1.19 -0.33 -1.03 0.00 0.00 179.24 177.50 1wyi h GLU 133 N 0.83 0.65 -0.24 4.15 5.08 -1.86 -3.22 114.58 119.98 1wyi h GLU 133 Ca 0.18 -0.82 -0.01 0.00 -1.00 0.00 0.00 59.36 57.72 1wyi h GLU 133 Cb 0.32 0.26 -0.01 0.00 0.50 0.00 0.00 28.75 29.82 1wyi h GLU 133 CO 0.00 1.37 0.12 -0.09 -1.00 0.00 0.00 179.01 179.41 1wyi h ARG 134 N 0.31 0.34 -1.46 2.33 9.65 0.74 -1.94 114.38 124.36 1wyi h ARG 134 Ca -0.17 -0.05 0.00 0.00 -1.10 0.00 0.00 59.98 58.66 1wyi h ARG 134 Cb 1.86 -0.06 0.00 0.00 -1.39 0.00 0.00 29.97 30.38 1wyi h ARG 134 CO 0.23 0.34 0.00 0.39 2.80 0.00 0.00 179.97 183.73 1wyi n GLU 135 N -4.84 0.92 0.00 0.20 1.02 0.51 -1.99 120.64 116.47 1wyi n GLU 135 Ca -0.03 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.11 1wyi n GLU 135 Cb 0.09 -1.04 0.00 0.00 -0.02 0.00 0.00 31.44 30.48 1wyi n GLU 135 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1wyi n ALA 136 N 0.96 0.00 -0.93 0.62 0.00 -0.75 -4.96 120.51 115.44 1wyi n ALA 136 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1wyi n ALA 136 Cb 0.46 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.91 1wyi n ALA 136 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1wyi n GLY 137 N 0.00 0.85 1.00 0.00 0.00 -0.84 -4.85 105.19 101.35 1wyi n GLY 137 Ca 0.00 0.00 0.01 0.00 0.00 0.00 0.00 46.02 46.03 1wyi n GLY 137 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 1wyi n ILE 138 N -2.03 0.98 -0.24 -0.61 -5.35 -1.15 -4.26 119.36 106.70 1wyi n ILE 138 Ca 0.00 -0.48 -0.06 0.00 -0.27 0.00 0.00 62.75 61.94 1wyi n ILE 138 Cb 0.00 -0.46 0.05 0.00 -1.74 0.00 0.00 39.64 37.49 1wyi n ILE 138 CO 0.00 0.00 0.00 0.74 -1.76 0.00 0.00 176.55 175.53 1wyi h THR 139 N 1.25 1.19 -0.29 7.28 2.02 -1.87 -0.70 112.91 121.79 1wyi h THR 139 Ca 0.02 -0.43 -0.04 0.00 0.77 0.00 0.00 66.41 66.72 1wyi h THR 139 Cb 1.04 0.28 -0.01 0.00 -1.74 0.00 0.00 68.15 67.72 1wyi h THR 139 CO 0.18 0.20 0.01 -0.08 0.37 0.00 0.00 175.52 176.21 1wyi h GLU 140 N 0.91 0.51 0.09 6.66 4.81 -1.95 -1.78 114.58 123.83 1wyi h GLU 140 Ca 0.24 -0.16 -0.00 0.00 -0.13 0.00 0.00 59.36 59.31 1wyi h GLU 140 Cb -0.02 -0.05 0.00 0.00 0.63 0.00 0.00 28.75 29.31 1wyi h GLU 140 CO -0.04 0.65 -0.05 -0.22 -0.73 0.00 0.00 179.01 178.61 1wyi h LYS 141 N 0.31 -0.13 -0.49 1.92 3.64 -1.81 0.81 116.57 120.82 1wyi h LYS 141 Ca 0.09 0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.48 1wyi h LYS 141 Cb 0.41 0.03 -0.02 0.00 -0.41 0.00 0.00 32.23 32.23 1wyi h LYS 141 CO 0.01 -0.08 0.32 -0.39 -2.27 0.00 0.00 179.45 177.04 1wyi h VAL 142 N -0.13 1.13 -0.21 2.00 -1.51 -1.13 0.48 116.25 116.87 1wyi h VAL 142 Ca -0.01 -0.24 -0.13 0.00 -1.23 0.00 0.00 66.70 65.10 1wyi h VAL 142 Cb 0.10 0.42 -0.01 0.00 -2.13 0.00 0.00 31.29 29.67 1wyi h VAL 142 CO 0.02 0.12 -0.40 0.58 -1.23 0.00 0.00 177.57 176.66 1wyi h VAL 143 N 0.66 1.30 -0.28 7.19 2.07 -1.23 -1.09 116.25 124.87 1wyi h VAL 143 Ca 0.18 -1.55 -0.19 0.00 0.82 0.00 0.00 66.70 65.96 1wyi h VAL 143 Cb -0.07 1.58 0.00 0.00 -1.52 0.00 0.00 31.29 31.28 1wyi h VAL 143 CO -0.04 0.48 -0.55 -0.26 0.02 0.00 0.00 177.57 177.23 1wyi h PHE 144 N 0.41 1.08 -0.94 1.57 -1.00 -0.46 0.11 116.94 117.71 1wyi h PHE 144 Ca 0.04 -0.39 0.02 0.00 2.81 0.00 0.00 57.97 60.45 1wyi h PHE 144 Cb 0.88 -0.20 -0.05 0.00 3.61 0.00 0.00 35.95 40.18 1wyi h PHE 144 CO 0.03 1.22 0.62 1.49 -1.61 0.00 0.00 178.31 180.06 1wyi h GLU 145 N 0.66 1.21 -0.17 1.51 4.81 0.15 0.23 114.58 122.98 1wyi h GLU 145 Ca 0.01 -0.07 -0.21 0.00 -0.13 0.00 0.00 59.36 58.96 1wyi h GLU 145 Cb 1.16 -0.27 0.01 0.00 0.63 0.00 0.00 28.75 30.27 1wyi h GLU 145 CO 0.12 0.80 -0.72 1.96 -0.73 0.00 0.00 179.01 180.44 1wyi h GLN 146 N 1.24 0.75 -0.06 1.92 4.20 -0.96 -2.80 115.11 119.40 1wyi h GLN 146 Ca 0.36 -0.58 -0.12 0.00 0.06 0.00 0.00 58.65 58.37 1wyi h GLN 146 Cb -0.08 0.11 -0.01 0.00 0.30 0.00 0.00 27.48 27.79 1wyi h GLN 146 CO -0.09 1.19 -0.53 1.15 -0.67 0.00 0.00 178.83 179.88 1wyi h THR 147 N 0.52 1.37 0.04 -0.54 2.02 -0.22 -2.68 112.91 113.43 1wyi h THR 147 Ca -0.04 -1.81 -0.00 0.00 0.77 0.00 0.00 66.41 65.33 1wyi h THR 147 Cb 1.34 1.91 0.00 0.00 -1.74 0.00 0.00 68.15 69.66 1wyi h THR 147 CO 0.15 0.53 -0.02 0.50 0.37 0.00 0.00 175.52 177.05 1wyi h LYS 148 N 0.12 -0.06 -0.68 6.66 3.11 -0.56 0.25 116.57 125.42 1wyi h LYS 148 Ca 0.00 0.00 0.06 0.00 -2.81 0.00 0.00 60.65 57.90 1wyi h LYS 148 Cb 0.98 0.01 -0.04 0.00 -1.00 0.00 0.00 32.23 32.18 1wyi h LYS 148 CO 0.08 0.22 0.45 0.28 -2.81 0.00 0.00 179.45 177.66 1wyi h VAL 149 N -0.33 1.02 0.00 2.00 2.07 -1.44 0.26 116.25 119.84 1wyi h VAL 149 Ca -0.01 -0.24 -0.16 0.00 0.82 0.00 0.00 66.70 67.11 1wyi h VAL 149 Cb 0.30 0.25 0.01 0.00 -1.52 0.00 0.00 31.29 30.34 1wyi h VAL 149 CO 0.01 0.13 -0.64 0.40 0.02 0.00 0.00 177.57 177.49 1wyi h ILE 150 N 0.71 1.42 -0.13 4.57 2.04 -1.24 -3.21 117.51 121.67 1wyi h ILE 150 Ca 0.29 -2.10 -0.04 0.00 1.00 0.00 0.00 64.86 64.01 1wyi h ILE 150 Cb 0.24 2.59 -0.01 0.00 -0.74 0.00 0.00 36.82 38.90 1wyi h ILE 150 CO -0.09 0.61 -0.12 0.00 0.00 0.00 0.00 178.15 178.55 1wyi h ALA 151 N 0.32 1.57 0.00 1.87 0.00 0.08 -0.79 119.26 122.30 1wyi h ALA 151 Ca -0.08 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.65 1wyi h ALA 151 Cb 1.35 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 19.07 1wyi h ALA 151 CO 0.13 0.31 0.00 -0.44 0.00 0.00 0.00 179.25 179.25 1wyi h ASP 152 N 0.19 0.00 -0.17 0.00 3.32 -0.51 -1.64 116.42 117.61 1wyi h ASP 152 Ca 0.04 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.09 1wyi h ASP 152 Cb 0.33 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.88 1wyi h ASP 152 CO 0.02 0.00 0.00 0.59 -1.72 0.00 0.00 179.24 178.13 1wyi n ASN 153 N -2.34 2.34 -4.47 6.45 3.02 -0.34 -4.95 115.26 114.97 1wyi n ASN 153 Ca -0.00 -1.77 -0.33 0.00 -0.03 0.00 0.00 54.58 52.44 1wyi n ASN 153 Cb 0.13 -0.11 -0.13 0.00 -0.61 0.00 0.00 39.78 39.06 1wyi n ASN 153 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 1wyi s VAL 154 N -0.89 3.64 -0.12 2.41 1.01 -0.62 -4.00 120.40 121.83 1wyi s VAL 154 Ca 0.14 -0.45 0.01 0.00 0.00 0.00 0.00 61.98 61.68 1wyi s VAL 154 Cb 0.08 -2.57 -0.00 0.00 0.00 0.00 0.00 36.38 33.89 1wyi s VAL 154 CO 0.11 0.51 0.32 0.29 0.00 0.00 0.00 175.10 176.33 1wyi n LYS 155 N 3.44 2.61 -3.26 2.72 4.76 -1.26 -4.93 118.16 122.24 1wyi n LYS 155 Ca -0.18 -0.31 -0.02 0.00 -2.87 0.00 0.00 58.31 54.93 1wyi n LYS 155 Cb 0.53 -0.81 -0.04 0.00 -1.84 0.00 0.00 35.03 32.86 1wyi n LYS 155 CO 0.00 0.00 0.00 0.34 -1.37 0.00 0.00 177.40 176.37 1wyi s ASP 156 N -0.57 -0.63 0.00 4.39 -1.08 -1.26 -5.03 116.67 112.49 1wyi s ASP 156 Ca 0.01 0.60 0.12 0.00 -0.52 0.00 0.00 52.55 52.76 1wyi s ASP 156 Cb 0.01 1.68 0.45 0.00 -1.46 0.00 0.00 42.92 43.60 1wyi s ASP 156 CO 0.03 -0.28 1.33 0.79 0.52 0.00 0.00 175.17 177.56 1wyi n TRP 157 N 5.40 0.23 -0.33 -5.34 7.02 -1.26 -4.13 117.44 119.03 1wyi n TRP 157 Ca -0.03 -0.12 0.01 0.00 -1.02 0.00 0.00 57.50 56.34 1wyi n TRP 157 Cb 0.51 0.00 0.14 0.00 -2.42 0.00 0.00 31.31 29.54 1wyi n TRP 157 CO 0.00 0.00 0.00 1.03 -2.02 0.00 0.00 177.69 176.70 1wyi h SER 158 N 1.32 0.93 -1.84 -0.99 0.87 -1.96 -2.92 113.55 108.97 1wyi h SER 158 Ca 0.00 0.01 -0.65 0.00 -1.23 0.00 0.00 61.79 59.92 1wyi h SER 158 Cb 0.30 -0.19 -0.37 0.00 -0.44 0.00 0.00 62.40 61.69 1wyi h SER 158 CO 0.00 0.61 -0.13 0.29 -0.53 0.00 0.00 176.83 177.07 1wyi n LYS 159 N -4.56 3.41 -3.82 2.24 5.02 -1.26 -5.01 118.16 114.19 1wyi n LYS 159 Ca 0.13 -4.35 -0.12 0.00 -2.02 0.00 0.00 58.31 51.94 1wyi n LYS 159 Cb 0.15 -2.27 -0.13 0.00 -0.02 0.00 0.00 35.03 32.76 1wyi n LYS 159 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 1wyi s VAL 160 N -5.14 -0.00 -0.02 -0.18 0.11 -1.10 -2.30 120.40 111.76 1wyi s VAL 160 Ca 0.48 0.02 0.02 0.00 -2.93 0.00 0.00 61.98 59.57 1wyi s VAL 160 Cb 0.37 -0.18 0.00 0.00 -1.53 0.00 0.00 36.38 35.05 1wyi s VAL 160 CO -0.23 0.01 -0.08 -0.69 -3.33 0.00 0.00 175.10 170.78 1wyi s VAL 161 N 0.17 0.70 0.14 2.04 1.01 -0.82 -4.49 120.40 119.13 1wyi s VAL 161 Ca -0.01 -0.31 -0.13 0.00 0.00 0.00 0.00 61.98 61.53 1wyi s VAL 161 Cb -0.02 -0.63 -0.07 0.00 0.00 0.00 0.00 36.38 35.67 1wyi s VAL 161 CO -0.00 0.22 0.52 -0.76 0.00 0.00 0.00 175.10 175.08 1wyi s LEU 162 N 0.22 4.34 -0.24 3.92 2.01 -0.13 -1.41 118.68 127.38 1wyi s LEU 162 Ca -0.03 1.02 -0.03 0.00 0.01 0.00 0.00 54.13 55.10 1wyi s LEU 162 Cb -0.08 -3.22 0.08 0.00 0.01 0.00 0.00 46.19 42.97 1wyi s LEU 162 CO 0.00 0.11 0.07 0.00 1.01 0.00 0.00 176.35 177.55 1wyi s ALA 163 N -1.46 1.05 -0.14 4.21 0.00 -0.32 -1.30 121.76 123.80 1wyi s ALA 163 Ca 0.37 -1.02 -0.20 0.00 0.00 0.00 0.00 51.96 51.11 1wyi s ALA 163 Cb -0.15 -1.34 -0.04 0.00 0.00 0.00 0.00 23.12 21.60 1wyi s ALA 163 CO 0.19 -1.40 0.55 -0.47 0.00 0.00 0.00 175.76 174.63 1wyi s TYR 164 N 1.85 3.47 -0.14 0.00 5.04 -0.94 -0.51 117.35 126.12 1wyi s TYR 164 Ca 0.04 0.94 0.00 0.00 -2.44 0.00 0.00 57.07 55.61 1wyi s TYR 164 Cb -0.17 -2.66 0.03 0.00 0.35 0.00 0.00 41.96 39.51 1wyi s TYR 164 CO -0.18 0.04 -0.10 -1.21 -1.34 0.00 0.00 175.55 172.75 1wyi s GLU 165 N 1.08 1.91 -1.06 4.97 2.02 0.08 0.85 118.70 128.54 1wyi s GLU 165 Ca 0.28 -0.48 -0.19 0.00 0.02 0.00 0.00 54.97 54.60 1wyi s GLU 165 Cb -0.16 -1.95 -0.07 0.00 0.10 0.00 0.00 34.13 32.05 1wyi s GLU 165 CO 0.12 -0.29 2.01 -0.35 0.02 0.00 0.00 175.26 176.76 1wyi n PRO 166 N 4.83 2.05 -0.33 0.39 -0.04 -1.26 -4.11 135.00 136.54 1wyi n PRO 166 Ca -0.15 -2.25 0.28 0.00 -0.04 0.00 0.00 63.50 61.35 1wyi n PRO 166 Cb 0.49 -3.16 0.52 0.00 -0.04 0.00 0.00 33.50 31.32 1wyi n PRO 166 CO 0.00 0.00 0.00 0.28 -0.04 0.00 0.00 175.50 175.74 1wyi h VAL 167 N 4.58 0.02 0.00 0.52 2.07 -1.90 0.60 116.25 122.15 1wyi h VAL 167 Ca 0.45 -0.01 0.00 0.00 0.82 0.00 0.00 66.70 67.96 1wyi h VAL 167 Cb 0.70 -0.00 0.00 0.00 -1.52 0.00 0.00 31.29 30.47 1wyi h VAL 167 CO 1.83 0.00 0.00 -2.67 0.02 0.00 0.00 177.57 176.75 1wyi n TRP 168 N -5.29 0.00 -2.66 1.57 4.27 -1.25 -4.00 117.44 110.07 1wyi n TRP 168 Ca 0.35 0.00 -0.03 0.00 -3.89 0.00 0.00 57.50 53.93 1wyi n TRP 168 Cb 1.16 0.00 0.04 0.00 -1.36 0.00 0.00 31.31 31.15 1wyi n TRP 168 CO 0.00 0.00 0.00 0.00 -2.29 0.00 0.00 177.69 175.40 1wyi s ALA 169 N -2.00 -4.77 -0.06 -1.67 0.00 0.21 -4.89 121.76 108.59 1wyi s ALA 169 Ca 0.03 0.74 -0.05 0.00 0.00 0.00 0.00 51.96 52.68 1wyi s ALA 169 Cb 0.01 -3.02 0.02 0.00 0.00 0.00 0.00 23.12 20.13 1wyi s ALA 169 CO 0.02 -2.56 0.15 0.42 0.00 0.00 0.00 175.76 173.79 1wyi s ILE 170 N 1.03 -0.00 0.00 0.00 1.01 -1.24 -4.51 121.20 117.50 1wyi s ILE 170 Ca 0.22 0.01 0.00 0.00 0.00 0.00 0.00 60.65 60.89 1wyi s ILE 170 Cb 0.14 -0.21 0.00 0.00 0.01 0.00 0.00 42.46 42.40 1wyi s ILE 170 CO -0.11 0.00 0.00 0.61 0.00 0.00 0.00 174.94 175.44 1wyi n GLY 171 N 3.08 1.87 3.43 6.18 0.00 -1.26 -5.01 105.19 113.47 1wyi n GLY 171 Ca -0.13 -0.48 -0.29 0.00 0.00 0.00 0.00 46.02 45.12 1wyi n GLY 171 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1wyi n THR 172 N 0.00 0.00 1.48 2.61 -2.24 -1.26 -4.84 114.28 110.03 1wyi n THR 172 Ca 0.00 -0.54 0.04 0.00 -2.27 0.00 0.00 64.05 61.27 1wyi n THR 172 Cb 0.00 -1.28 0.22 0.00 -2.10 0.00 0.00 70.33 67.17 1wyi n THR 172 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1wyi n GLY 173 N -4.32 -0.74 2.24 3.38 0.00 -1.26 -4.28 105.19 100.21 1wyi n GLY 173 Ca 0.15 -0.05 -0.19 0.00 0.00 0.00 0.00 46.02 45.93 1wyi n GLY 173 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1wyi n LYS 174 N -0.65 2.24 -1.68 1.61 5.02 -1.26 -4.92 118.16 118.52 1wyi n LYS 174 Ca 0.05 -1.28 -0.53 0.00 -2.02 0.00 0.00 58.31 54.54 1wyi n LYS 174 Cb 0.03 -2.23 -0.06 0.00 -0.02 0.00 0.00 35.03 32.74 1wyi n LYS 174 CO 0.00 0.00 0.00 -2.37 -0.52 0.00 0.00 177.40 174.51 1wyi n THR 175 N 3.13 0.44 -1.71 -0.18 5.66 -1.26 -4.87 114.28 115.47 1wyi n THR 175 Ca 0.48 -0.09 -0.43 0.00 -3.05 0.00 0.00 64.05 60.96 1wyi n THR 175 Cb 0.51 -1.57 -0.01 0.00 -1.55 0.00 0.00 70.33 67.70 1wyi n THR 175 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1wyi n ALA 176 N 6.34 1.71 -1.54 1.79 0.00 -1.26 -4.76 120.51 122.78 1wyi n ALA 176 Ca 0.26 0.38 -0.60 0.00 0.00 0.00 0.00 53.44 53.47 1wyi n ALA 176 Cb 0.22 -2.34 -0.09 0.00 0.00 0.00 0.00 19.45 17.24 1wyi n ALA 176 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 1wyi n THR 177 N 1.25 0.00 0.24 0.00 -2.24 -1.26 -4.75 114.28 107.52 1wyi n THR 177 Ca 0.07 0.00 0.14 0.00 -2.27 0.00 0.00 64.05 62.00 1wyi n THR 177 Cb 0.35 -0.33 0.61 0.00 -2.10 0.00 0.00 70.33 68.87 1wyi n THR 177 CO 0.00 0.00 0.00 -0.65 -0.57 0.00 0.00 175.07 173.85 1wyi h PRO 178 N 4.07 0.00 -0.07 -0.78 0.11 -1.95 0.23 132.00 133.61 1wyi h PRO 178 Ca -0.42 0.00 -0.23 0.00 0.11 0.00 0.00 66.00 65.46 1wyi h PRO 178 Cb 1.28 0.00 0.01 0.00 0.11 0.00 0.00 31.00 32.40 1wyi h PRO 178 CO 0.81 0.00 -0.87 -0.56 -0.21 0.00 0.00 178.00 177.17 1wyi h GLN 179 N 0.00 0.64 -0.34 1.05 -0.00 -1.97 -1.97 115.11 112.52 1wyi h GLN 179 Ca 0.08 -0.60 -0.09 0.00 -0.00 0.00 0.00 58.65 58.04 1wyi h GLN 179 Cb 1.20 0.15 -0.02 0.00 -0.00 0.00 0.00 27.48 28.81 1wyi h GLN 179 CO -0.00 1.21 -0.17 1.96 -0.00 0.00 0.00 178.83 181.82 1wyi h GLN 180 N 0.41 0.62 0.00 0.06 4.20 -0.86 -0.37 115.11 119.17 1wyi h GLN 180 Ca -0.08 -0.21 -0.11 0.00 0.06 0.00 0.00 58.65 58.31 1wyi h GLN 180 Cb 1.50 -0.05 -0.02 0.00 0.30 0.00 0.00 27.48 29.22 1wyi h GLN 180 CO 0.17 0.76 -0.52 0.00 -0.67 0.00 0.00 178.83 178.57 1wyi h ALA 181 N 1.26 1.01 0.10 3.87 0.00 -1.47 -3.04 119.26 120.99 1wyi h ALA 181 Ca 0.09 -0.48 -0.27 0.00 0.00 0.00 0.00 54.91 54.26 1wyi h ALA 181 Cb 0.61 -0.08 0.03 0.00 0.00 0.00 0.00 17.79 18.34 1wyi h ALA 181 CO 0.04 0.66 -1.10 0.37 0.00 0.00 0.00 179.25 179.21 1wyi h GLN 182 N 0.00 0.57 -0.04 0.00 5.75 -0.88 -2.72 115.11 117.80 1wyi h GLN 182 Ca -0.01 -0.75 0.03 0.00 -0.15 0.00 0.00 58.65 57.78 1wyi h GLN 182 Cb 1.00 0.24 -0.04 0.00 1.07 0.00 0.00 27.48 29.76 1wyi h GLN 182 CO 0.07 1.33 -0.16 1.49 -2.65 0.00 0.00 178.83 178.91 1wyi h GLU 183 N 0.16 -0.24 0.50 1.69 4.81 -1.03 0.26 114.58 120.73 1wyi h GLU 183 Ca -0.17 0.02 -0.02 0.00 -0.13 0.00 0.00 59.36 59.06 1wyi h GLU 183 Cb 1.80 0.05 0.00 0.00 0.63 0.00 0.00 28.75 31.23 1wyi h GLU 183 CO 0.21 -0.16 -0.24 -0.24 -0.73 0.00 0.00 179.01 177.85 1wyi h VAL 184 N -0.25 0.47 -0.69 0.32 3.04 -1.64 -2.44 116.25 115.06 1wyi h VAL 184 Ca 0.06 -0.23 0.12 0.00 -1.01 0.00 0.00 66.70 65.65 1wyi h VAL 184 Cb 0.33 0.57 -0.04 0.00 -2.01 0.00 0.00 31.29 30.14 1wyi h VAL 184 CO -0.18 0.04 0.46 0.45 -1.01 0.00 0.00 177.57 177.33 1wyi h HIS 185 N -0.82 0.50 -0.27 3.17 3.86 -1.39 -1.08 115.15 119.12 1wyi h HIS 185 Ca -0.07 0.01 -0.03 0.00 -1.16 0.00 0.00 60.37 59.13 1wyi h HIS 185 Cb 0.58 -0.16 -0.01 0.00 1.06 0.00 0.00 27.41 28.88 1wyi h HIS 185 CO -0.01 0.22 0.06 1.49 0.86 0.00 0.00 177.93 180.55 1wyi h GLU 186 N 0.45 0.43 -0.51 2.45 4.57 -0.33 -2.30 114.58 119.35 1wyi h GLU 186 Ca 0.33 -0.10 -0.05 0.00 -1.18 0.00 0.00 59.36 58.35 1wyi h GLU 186 Cb 0.67 -0.06 -0.02 0.00 -0.16 0.00 0.00 28.75 29.18 1wyi h GLU 186 CO -0.10 0.52 0.10 0.87 -1.18 0.00 0.00 179.01 179.22 1wyi h LYS 187 N 0.26 0.78 -0.53 1.92 1.57 -0.77 -2.09 116.57 117.71 1wyi h LYS 187 Ca 0.08 -0.17 -0.05 0.00 -1.87 0.00 0.00 60.65 58.64 1wyi h LYS 187 Cb 0.29 -0.11 -0.02 0.00 0.08 0.00 0.00 32.23 32.46 1wyi h LYS 187 CO 0.00 0.73 0.12 -0.07 -0.57 0.00 0.00 179.45 179.66 1wyi h LEU 188 N 0.75 0.77 -0.85 2.94 4.07 -1.07 0.03 115.31 121.95 1wyi h LEU 188 Ca 0.16 -0.14 -0.12 0.00 0.08 0.00 0.00 57.88 57.86 1wyi h LEU 188 Cb 0.32 -0.20 -0.02 0.00 1.08 0.00 0.00 40.66 41.84 1wyi h LEU 188 CO 0.00 0.76 -0.56 -0.09 -1.08 0.00 0.00 178.44 177.47 1wyi h ARG 189 N 0.79 0.00 0.00 1.13 2.43 -0.99 -2.12 114.38 115.62 1wyi h ARG 189 Ca 0.17 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.34 1wyi h ARG 189 Cb 0.31 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.86 1wyi h ARG 189 CO 0.00 0.56 0.00 0.78 -1.51 0.00 0.00 179.97 179.80 1wyi h GLY 190 N 1.77 0.00 0.07 2.80 0.00 -0.68 -2.76 103.07 104.27 1wyi h GLY 190 Ca -0.01 0.00 -0.00 0.00 0.00 0.00 0.00 47.33 47.32 1wyi h GLY 190 CO 0.07 0.00 -0.00 -0.25 0.00 0.00 0.00 176.54 176.36 1wyi h TRP 191 N 0.00 -0.01 -0.58 5.60 7.01 -0.51 -3.21 115.95 124.25 1wyi h TRP 191 Ca 0.00 -0.00 -0.02 0.00 2.11 0.00 0.00 58.89 60.98 1wyi h TRP 191 Cb 0.83 0.00 -0.03 0.00 -2.10 0.00 0.00 29.16 27.86 1wyi h TRP 191 CO 0.00 0.82 0.26 -0.07 -2.79 0.00 0.00 178.44 176.66 1wyi h LEU 192 N -0.94 0.75 -0.24 0.65 3.38 -1.44 0.51 115.31 117.98 1wyi h LEU 192 Ca -0.00 -0.08 0.01 0.00 0.09 0.00 0.00 57.88 57.90 1wyi h LEU 192 Cb 0.83 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 41.38 1wyi h LEU 192 CO 0.00 0.65 0.13 0.50 0.09 0.00 0.00 178.44 179.82 1wyi h LYS 193 N 0.82 0.27 0.14 1.13 3.64 -1.60 0.21 116.57 121.19 1wyi h LYS 193 Ca 0.20 -0.02 -0.33 0.00 -1.27 0.00 0.00 60.65 59.24 1wyi h LYS 193 Cb 0.12 -0.06 -0.00 0.00 -0.41 0.00 0.00 32.23 31.87 1wyi h LYS 193 CO -0.02 0.18 -1.66 0.66 -2.27 0.00 0.00 179.45 176.33 1wyi h SER 194 N 0.28 0.46 1.12 4.20 4.64 -1.50 -2.90 113.55 119.85 1wyi h SER 194 Ca 0.09 -0.69 0.00 0.00 -0.47 0.00 0.00 61.79 60.72 1wyi h SER 194 Cb 0.00 -0.15 0.00 0.00 -0.31 0.00 0.00 62.40 61.94 1wyi h SER 194 CO -0.05 1.59 -0.15 0.59 -0.87 0.00 0.00 176.83 177.94 1wyi n ASN 195 N -3.48 0.50 0.00 4.97 3.02 0.18 -4.73 115.26 115.71 1wyi n ASN 195 Ca -0.21 0.39 0.00 0.00 -0.03 0.00 0.00 54.58 54.74 1wyi n ASN 195 Cb 1.06 -0.44 0.00 0.00 -0.61 0.00 0.00 39.78 39.79 1wyi n ASN 195 CO 0.00 0.00 0.00 0.52 -2.62 0.00 0.00 177.26 175.16 1wyi n VAL 196 N -1.91 0.00 -3.62 2.41 0.31 0.51 -5.00 118.33 111.02 1wyi n VAL 196 Ca 0.06 0.00 -0.07 0.00 -0.01 0.00 0.00 64.34 64.31 1wyi n VAL 196 Cb 0.39 -0.16 -0.06 0.00 -0.91 0.00 0.00 33.84 33.11 1wyi n VAL 196 CO 0.00 0.00 0.00 -0.94 -1.32 0.00 0.00 176.83 174.57 1wyi s SER 197 N 1.00 -0.30 0.30 4.52 1.04 0.13 -4.97 113.70 115.43 1wyi s SER 197 Ca 0.00 0.48 0.05 0.00 0.48 0.00 0.00 55.95 56.96 1wyi s SER 197 Cb 0.00 0.45 0.74 0.00 0.10 0.00 0.00 66.02 67.31 1wyi s SER 197 CO 0.00 -0.17 1.76 -0.78 0.98 0.00 0.00 173.24 175.03 1wyi h ASP 198 N 3.23 0.69 -0.23 7.02 3.58 -1.78 0.85 116.42 129.79 1wyi h ASP 198 Ca -0.23 0.11 -0.01 0.00 0.42 0.00 0.00 57.03 57.32 1wyi h ASP 198 Cb 1.18 -0.00 -0.01 0.00 1.72 0.00 0.00 39.33 42.21 1wyi h ASP 198 CO 0.20 0.21 0.10 0.00 -2.88 0.00 0.00 179.24 176.86 1wyi h ALA 199 N 1.66 0.30 -0.31 -0.78 0.00 -1.93 0.22 119.26 118.41 1wyi h ALA 199 Ca 0.58 -0.10 0.03 0.00 0.00 0.00 0.00 54.91 55.42 1wyi h ALA 199 Cb 0.95 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 18.61 1wyi h ALA 199 CO -0.41 -0.13 0.10 0.28 0.00 0.00 0.00 179.25 179.09 1wyi h VAL 200 N 0.23 0.91 0.00 0.00 2.07 -1.24 -0.28 116.25 117.93 1wyi h VAL 200 Ca 0.08 -0.08 -0.06 0.00 0.82 0.00 0.00 66.70 67.45 1wyi h VAL 200 Cb 0.15 0.65 -0.01 0.00 -1.52 0.00 0.00 31.29 30.56 1wyi h VAL 200 CO -0.01 0.04 -0.30 0.00 0.02 0.00 0.00 177.57 177.32 1wyi h ALA 201 N 1.20 1.21 -0.43 1.67 0.00 -0.93 0.24 119.26 122.22 1wyi h ALA 201 Ca 0.14 -0.28 0.00 0.00 0.00 0.00 0.00 54.91 54.77 1wyi h ALA 201 Cb 0.11 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.85 1wyi h ALA 201 CO -0.15 0.38 0.00 0.94 0.00 0.00 0.00 179.25 180.42 1wyi n GLN 202 N -3.75 3.25 0.00 0.00 -0.06 0.75 -3.79 117.38 113.78 1wyi n GLN 202 Ca -0.01 -2.07 0.00 0.00 -2.00 0.00 0.00 57.00 52.91 1wyi n GLN 202 Cb 0.40 -1.85 0.00 0.00 -4.06 0.00 0.00 30.24 24.73 1wyi n GLN 202 CO 0.00 0.00 0.00 -1.13 -0.20 0.00 0.00 177.06 175.73 1wyi n SER 203 N 0.60 0.00 -4.68 1.69 3.41 -0.24 -4.01 113.62 110.40 1wyi n SER 203 Ca 0.19 -0.55 -0.38 0.00 -0.26 0.00 0.00 58.87 57.87 1wyi n SER 203 Cb 0.77 0.00 -0.08 0.00 -0.26 0.00 0.00 64.21 64.64 1wyi n SER 203 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 1wyi s THR 204 N 0.00 5.24 -0.02 6.66 2.01 0.80 -4.89 115.64 125.45 1wyi s THR 204 Ca 0.00 0.59 -0.30 0.00 0.31 0.00 0.00 61.69 62.29 1wyi s THR 204 Cb 0.00 -3.68 -0.03 0.00 0.01 0.00 0.00 72.50 68.80 1wyi s THR 204 CO 0.00 0.28 1.08 -0.13 -0.69 0.00 0.00 174.62 175.16 1wyi s ARG 205 N 1.17 4.46 -0.77 4.92 3.00 -1.26 -4.94 118.95 125.53 1wyi s ARG 205 Ca 0.17 1.55 0.03 0.00 0.00 0.00 0.00 55.73 57.47 1wyi s ARG 205 Cb -0.14 -3.47 0.21 0.00 0.00 0.00 0.00 34.95 31.55 1wyi s ARG 205 CO 0.07 -0.23 0.70 -0.89 0.00 0.00 0.00 175.30 174.95 1wyi n ILE 206 N 4.17 2.44 -2.26 1.52 5.41 -1.26 -0.96 119.36 128.42 1wyi n ILE 206 Ca 0.08 -5.09 -0.34 0.00 1.00 0.00 0.00 62.75 58.40 1wyi n ILE 206 Cb 0.49 -2.22 -0.00 0.00 -0.71 0.00 0.00 39.64 37.19 1wyi n ILE 206 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 176.55 176.82 1wyi s ILE 207 N -1.76 3.42 -0.23 1.39 -4.36 -0.42 -3.18 121.20 116.06 1wyi s ILE 207 Ca 0.30 0.83 -0.18 0.00 -0.26 0.00 0.00 60.65 61.34 1wyi s ILE 207 Cb -0.00 -3.32 -0.03 0.00 1.25 0.00 0.00 42.46 40.36 1wyi s ILE 207 CO -0.11 -0.24 0.52 -0.47 0.24 0.00 0.00 174.94 174.89 1wyi s TYR 208 N -1.97 3.32 -1.08 1.37 5.04 0.42 -2.22 117.35 122.24 1wyi s TYR 208 Ca 0.70 0.72 0.18 0.00 -2.44 0.00 0.00 57.07 56.22 1wyi s TYR 208 Cb -0.20 -2.70 0.73 0.00 0.35 0.00 0.00 41.96 40.14 1wyi s TYR 208 CO 0.28 -0.19 1.64 0.41 -1.34 0.00 0.00 175.55 176.35 1wyi n GLY 209 N 4.10 2.71 0.00 8.97 0.00 0.25 0.09 105.19 121.30 1wyi n GLY 209 Ca -0.04 -0.85 0.00 0.00 0.00 0.00 0.00 46.02 45.13 1wyi n GLY 209 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1wyi n GLY 210 N 1.11 0.86 3.60 -0.02 0.00 -1.25 -4.72 105.19 104.76 1wyi n GLY 210 Ca 0.26 -1.78 -0.43 0.00 0.00 0.00 0.00 46.02 44.07 1wyi n GLY 210 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1wyi s SER 211 N -1.00 5.60 -0.29 1.61 0.01 -1.26 -4.69 113.70 113.69 1wyi s SER 211 Ca 0.00 1.56 -0.01 0.00 1.31 0.00 0.00 55.95 58.80 1wyi s SER 211 Cb 0.00 -2.52 0.09 0.00 0.21 0.00 0.00 66.02 63.80 1wyi s SER 211 CO 0.00 -1.90 0.08 -0.69 0.41 0.00 0.00 173.24 171.15 1wyi s VAL 212 N 7.85 0.75 0.72 3.43 1.01 -1.26 -4.67 120.40 128.24 1wyi s VAL 212 Ca 0.90 -1.19 -0.04 0.00 0.00 0.00 0.00 61.98 61.65 1wyi s VAL 212 Cb -0.27 -1.50 0.10 0.00 0.00 0.00 0.00 36.38 34.71 1wyi s VAL 212 CO 0.34 -0.58 1.01 0.42 0.00 0.00 0.00 175.10 176.28 1wyi s THR 213 N 1.69 2.25 -2.00 3.92 -4.23 -1.26 -4.70 115.64 111.32 1wyi s THR 213 Ca 0.07 -0.42 0.12 0.00 -1.18 0.00 0.00 61.69 60.29 1wyi s THR 213 Cb -0.17 -2.84 0.34 0.00 1.34 0.00 0.00 72.50 71.17 1wyi s THR 213 CO -0.23 0.00 1.18 0.61 -0.54 0.00 0.00 174.62 175.64 1wyi n GLY 214 N -2.91 -0.57 1.13 3.99 0.00 -1.26 -2.91 105.19 102.66 1wyi n GLY 214 Ca 0.12 -0.08 0.00 0.00 0.00 0.00 0.00 46.02 46.06 1wyi n GLY 214 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1wyi n ALA 215 N -0.83 3.00 0.17 4.61 0.00 -1.26 -4.57 120.51 121.63 1wyi n ALA 215 Ca 0.09 0.00 0.09 0.00 0.00 0.00 0.00 53.44 53.62 1wyi n ALA 215 Cb 0.04 0.29 0.47 0.00 0.00 0.00 0.00 19.45 20.25 1wyi n ALA 215 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 1wyi n THR 216 N -3.35 0.79 0.17 0.00 -2.24 -1.25 -2.06 114.28 106.34 1wyi n THR 216 Ca 0.00 0.75 0.01 0.00 -2.27 0.00 0.00 64.05 62.54 1wyi n THR 216 Cb 0.12 -1.75 0.08 0.00 -2.10 0.00 0.00 70.33 66.69 1wyi n THR 216 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1wyi h LYS 218 N 0.00 0.00 -0.07 0.00 1.57 -1.68 -3.26 116.57 113.12 1wyi h LYS 218 Ca 0.00 0.00 0.02 0.00 -1.87 0.00 0.00 60.65 58.80 1wyi h LYS 218 Cb 0.01 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.31 1wyi h LYS 218 CO 0.00 0.00 0.07 0.93 -0.57 0.00 0.00 179.45 179.88 1wyi h GLU 219 N -0.52 0.00 0.25 3.15 4.39 -1.81 -0.56 114.58 119.47 1wyi h GLU 219 Ca 0.00 0.00 -0.01 0.00 0.34 0.00 0.00 59.36 59.69 1wyi h GLU 219 Cb 0.16 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.81 1wyi h GLU 219 CO 0.00 0.00 -0.12 -0.07 -1.16 0.00 0.00 179.01 177.66 1wyi h LEU 220 N 0.00 -0.28 -1.61 1.33 3.38 -1.71 -2.97 115.31 113.45 1wyi h LEU 220 Ca 0.04 -0.21 -0.02 0.00 0.09 0.00 0.00 57.88 57.78 1wyi h LEU 220 Cb 0.18 0.07 -0.00 0.00 0.09 0.00 0.00 40.66 41.00 1wyi h LEU 220 CO -0.00 0.08 -0.09 0.00 0.09 0.00 0.00 178.44 178.52 1wyi h ALA 221 N -0.06 1.07 -0.37 1.53 0.00 -1.51 -2.57 119.26 117.34 1wyi h ALA 221 Ca -0.03 -0.08 0.11 0.00 0.00 0.00 0.00 54.91 54.90 1wyi h ALA 221 Cb 0.48 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.24 1wyi h ALA 221 CO 0.06 0.11 0.27 1.03 0.00 0.00 0.00 179.25 180.72 1wyi h SER 222 N 0.00 0.00 -3.91 0.00 0.87 -0.94 -3.42 113.55 106.15 1wyi h SER 222 Ca -0.00 0.00 -0.52 0.00 -1.23 0.00 0.00 61.79 60.04 1wyi h SER 222 Cb 0.49 0.00 0.07 0.00 -0.44 0.00 0.00 62.40 62.52 1wyi h SER 222 CO 0.01 0.00 0.61 -1.10 -0.53 0.00 0.00 176.83 175.82 1wyi s GLN 223 N -5.01 4.18 0.24 2.24 -1.52 -0.97 -4.93 119.66 113.88 1wyi s GLN 223 Ca -0.05 2.14 -0.05 0.00 -1.95 0.00 0.00 55.36 55.45 1wyi s GLN 223 Cb 0.19 -2.91 0.35 0.00 -0.22 0.00 0.00 33.01 30.43 1wyi s GLN 223 CO 0.70 -0.31 1.84 -1.00 -0.25 0.00 0.00 175.29 176.27 1wyi h PRO 224 N 3.03 0.89 -2.25 2.91 0.13 -1.90 -3.17 132.00 131.64 1wyi h PRO 224 Ca -0.49 -0.05 -0.78 0.00 -0.87 0.00 0.00 66.00 63.81 1wyi h PRO 224 Cb 1.23 -0.20 -0.29 0.00 0.13 0.00 0.00 31.00 31.87 1wyi h PRO 224 CO 0.64 0.59 0.81 -0.25 -0.23 0.00 0.00 178.00 179.56 1wyi n ASP 225 N -4.65 6.98 -3.32 1.44 9.92 -1.26 -4.78 116.55 120.89 1wyi n ASP 225 Ca 0.13 -3.69 -0.11 0.00 -0.53 0.00 0.00 54.79 50.58 1wyi n ASP 225 Cb 0.21 -1.09 -0.06 0.00 -0.64 0.00 0.00 41.12 39.54 1wyi n ASP 225 CO 0.00 0.00 0.00 -0.69 0.13 0.00 0.00 177.20 176.64 1wyi s VAL 226 N -4.36 -0.54 -0.48 2.53 1.01 -1.20 -4.54 120.40 112.82 1wyi s VAL 226 Ca 0.40 -0.64 0.01 0.00 0.00 0.00 0.00 61.98 61.75 1wyi s VAL 226 Cb 0.20 -0.57 0.46 0.00 0.00 0.00 0.00 36.38 36.48 1wyi s VAL 226 CO -0.13 -0.40 1.91 0.47 0.00 0.00 0.00 175.10 176.95 1wyi n ASP 227 N 4.48 5.61 0.00 3.32 8.00 -1.19 -4.72 116.55 132.05 1wyi n ASP 227 Ca 0.09 -3.47 0.00 0.00 0.71 0.00 0.00 54.79 52.12 1wyi n ASP 227 Cb 0.49 -0.90 0.00 0.00 -0.02 0.00 0.00 41.12 40.68 1wyi n ASP 227 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1wyi n GLY 228 N -0.70 1.01 3.31 0.44 0.00 -1.26 -1.70 105.19 106.29 1wyi n GLY 228 Ca 0.52 -1.97 -0.16 0.00 0.00 0.00 0.00 46.02 44.41 1wyi n GLY 228 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1wyi s PHE 229 N -1.12 1.50 -0.56 1.61 0.08 -0.96 0.16 117.98 118.69 1wyi s PHE 229 Ca 0.00 -1.14 0.06 0.00 0.12 0.00 0.00 56.93 55.97 1wyi s PHE 229 Cb 0.00 -0.88 0.30 0.00 -0.57 0.00 0.00 43.02 41.88 1wyi s PHE 229 CO 0.00 -0.30 0.83 -0.11 -0.10 0.00 0.00 175.22 175.54 1wyi n LEU 230 N -0.43 3.51 -4.26 -0.37 7.94 0.11 -1.03 117.00 122.47 1wyi n LEU 230 Ca -0.01 -5.46 -0.57 0.00 -1.11 0.00 0.00 56.01 48.86 1wyi n LEU 230 Cb 0.66 -0.36 -0.08 0.00 0.53 0.00 0.00 43.42 44.17 1wyi n LEU 230 CO 0.37 2.23 0.69 0.52 -1.11 0.00 0.00 177.39 180.09 1wyi n VAL 231 N 0.30 0.00 0.00 1.96 0.31 0.64 -4.58 118.33 116.96 1wyi n VAL 231 Ca 0.29 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.62 1wyi n VAL 231 Cb 0.44 -0.14 0.00 0.00 -0.91 0.00 0.00 33.84 33.23 1wyi n VAL 231 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1wyi n GLY 232 N 2.10 0.87 0.18 2.92 0.00 -1.26 0.09 105.19 110.08 1wyi n GLY 232 Ca 0.22 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 46.14 1wyi n GLY 232 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1wyi h GLY 233 N 0.00 -0.07 0.80 -0.02 0.00 -1.88 -2.34 103.07 99.56 1wyi h GLY 233 Ca 0.00 0.16 0.14 0.00 0.00 0.00 0.00 47.33 47.63 1wyi h GLY 233 CO 0.00 -0.13 0.46 0.00 0.00 0.00 0.00 176.54 176.87 1wyi h ALA 234 N 0.88 2.27 0.00 3.60 0.00 -1.89 0.23 119.26 124.35 1wyi h ALA 234 Ca 0.08 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.97 1wyi h ALA 234 Cb 0.28 0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.11 1wyi h ALA 234 CO -0.20 -0.71 0.15 0.66 0.00 0.00 0.00 179.25 179.15 1wyi h SER 235 N 0.00 0.00 0.32 0.00 4.64 -1.64 0.37 113.55 117.25 1wyi h SER 235 Ca 0.23 0.00 -0.33 0.00 -0.47 0.00 0.00 61.79 61.23 1wyi h SER 235 Cb 1.15 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 63.20 1wyi h SER 235 CO -0.00 0.00 -1.86 0.18 -0.87 0.00 0.00 176.83 174.28 1wyi n LEU 236 N -2.60 1.58 -4.81 5.97 4.77 0.79 -4.84 117.00 117.86 1wyi n LEU 236 Ca -0.02 0.31 -0.33 0.00 -0.03 0.00 0.00 56.01 55.94 1wyi n LEU 236 Cb 0.20 -0.35 -0.02 0.00 -2.33 0.00 0.00 43.42 40.92 1wyi n LEU 236 CO 0.12 0.59 0.70 -0.54 -1.33 0.00 0.00 177.39 176.94 1wyi s LYS 237 N -2.58 3.68 0.00 3.23 1.02 0.13 -4.91 119.74 120.32 1wyi s LYS 237 Ca -0.12 1.21 0.01 0.00 0.02 0.00 0.00 55.97 57.08 1wyi s LYS 237 Cb 0.07 -2.09 0.04 0.00 -0.52 0.00 0.00 37.83 35.34 1wyi s LYS 237 CO 0.80 -0.51 0.98 -0.35 -0.92 0.00 0.00 175.35 175.35 1wyi n PRO 238 N -1.45 0.00 0.00 -1.68 -0.04 -1.26 -1.07 135.00 129.50 1wyi n PRO 238 Ca 0.08 0.43 0.04 0.00 -0.04 0.00 0.00 63.50 64.02 1wyi n PRO 238 Cb 0.53 -1.50 0.25 0.00 -0.04 0.00 0.00 33.50 32.74 1wyi n PRO 238 CO 0.00 0.00 0.00 -0.85 -0.04 0.00 0.00 175.50 174.61 1wyi n GLU 239 N -1.45 0.80 0.15 0.54 0.28 -1.26 -2.53 120.64 117.17 1wyi n GLU 239 Ca 0.00 0.00 0.03 0.00 -0.16 0.00 0.00 57.16 57.04 1wyi n GLU 239 Cb 0.01 -1.16 0.06 0.00 1.43 0.00 0.00 31.44 31.78 1wyi n GLU 239 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 177.13 177.32 1wyi h PHE 240 N 0.00 0.00 0.00 -1.84 3.57 -1.20 -2.78 116.94 114.69 1wyi h PHE 240 Ca 0.00 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.50 1wyi h PHE 240 Cb 0.00 0.00 0.00 0.00 2.79 0.00 0.00 35.95 38.74 1wyi h PHE 240 CO 0.00 0.47 0.00 0.28 -2.23 0.00 0.00 178.31 176.83 1wyi n VAL 241 N -3.24 0.50 -0.11 1.41 0.31 -1.05 -2.89 118.33 113.26 1wyi n VAL 241 Ca 0.02 0.06 -0.20 0.00 -0.01 0.00 0.00 64.34 64.21 1wyi n VAL 241 Cb 0.71 -0.75 -0.09 0.00 -0.91 0.00 0.00 33.84 32.80 1wyi n VAL 241 CO 0.00 0.00 0.00 0.47 -1.32 0.00 0.00 176.83 175.98 1wyi n ASP 242 N -1.69 1.88 -0.16 4.52 8.00 -1.12 -4.01 116.55 123.97 1wyi n ASP 242 Ca 0.05 0.43 0.29 0.00 0.71 0.00 0.00 54.79 56.27 1wyi n ASP 242 Cb 0.29 -0.90 0.71 0.00 -0.02 0.00 0.00 41.12 41.20 1wyi n ASP 242 CO 0.00 0.00 0.00 0.40 -0.39 0.00 0.00 177.20 177.21 1wyi h ILE 243 N -1.00 0.39 -0.65 0.53 2.04 -1.52 1.29 117.51 118.60 1wyi h ILE 243 Ca -0.36 0.00 -0.03 0.00 1.00 0.00 0.00 64.86 65.47 1wyi h ILE 243 Cb 1.23 0.47 -0.03 0.00 -0.74 0.00 0.00 36.82 37.75 1wyi h ILE 243 CO -0.22 0.00 0.28 0.40 0.00 0.00 0.00 178.15 178.62 1wyi h ILE 244 N 0.00 1.23 -2.49 -0.67 2.04 -1.68 -3.06 117.51 112.87 1wyi h ILE 244 Ca 0.42 -0.69 -0.81 0.00 1.00 0.00 0.00 64.86 64.78 1wyi h ILE 244 Cb 1.87 0.48 -0.28 0.00 -0.74 0.00 0.00 36.82 38.15 1wyi h ILE 244 CO -0.00 0.28 0.91 0.59 0.00 0.00 0.00 178.15 179.93 1wyi n ASN 245 N -4.44 6.96 -1.53 1.72 3.02 0.44 -4.84 115.26 116.59 1wyi n ASN 245 Ca 0.05 -3.59 -0.01 0.00 -0.03 0.00 0.00 54.58 51.00 1wyi n ASN 245 Cb 0.15 -1.19 -0.01 0.00 -0.61 0.00 0.00 39.78 38.12 1wyi n ASN 245 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1wyi n ALA 246 N 0.45 4.13 -3.63 5.41 0.00 -1.16 -4.75 120.51 120.96 1wyi n ALA 246 Ca 0.39 -0.13 -0.11 0.00 0.00 0.00 0.00 53.44 53.59 1wyi n ALA 246 Cb 0.29 -1.07 -0.07 0.00 0.00 0.00 0.00 19.45 18.60 1wyi n ALA 246 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.50 177.71 1wyi s LYS 247 N -0.03 0.62 0.00 0.00 2.36 -1.26 -4.66 119.74 116.77 1wyi s LYS 247 Ca 0.04 0.68 0.00 0.00 -2.55 0.00 0.00 55.97 54.14 1wyi s LYS 247 Cb 0.02 0.30 0.00 0.00 -1.05 0.00 0.00 37.83 37.10 1wyi s LYS 247 CO -0.00 -0.09 0.00 0.94 1.55 0.00 0.00 175.35 177.75