#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ire n ASN 2 N 0.00 8.06 -4.86 3.17 5.03 -1.26 -4.96 115.26 120.44 1ire n ASN 2 Ca 0.00 -2.77 -0.31 0.00 0.87 0.00 0.00 54.58 52.37 1ire n ASN 2 Cb 0.00 -1.46 -0.02 0.00 -1.02 0.00 0.00 39.78 37.28 1ire n ASN 2 CO 0.00 0.00 0.00 -0.83 -1.83 0.00 0.00 177.26 174.60 1ire s GLY 3 N 1.49 1.85 0.51 7.41 0.00 -1.26 -4.96 107.32 112.37 1ire s GLY 3 Ca 0.64 -0.04 0.23 0.00 0.00 0.00 0.00 44.72 45.55 1ire s GLY 3 CO -0.07 0.21 2.10 -2.08 0.00 0.00 0.00 173.10 173.25 1ire h VAL 4 N 0.45 0.78 -0.49 1.40 2.07 -1.93 -2.58 116.25 115.95 1ire h VAL 4 Ca -0.46 -0.39 0.14 0.00 0.82 0.00 0.00 66.70 66.82 1ire h VAL 4 Cb 1.19 1.23 -0.02 0.00 -1.52 0.00 0.00 31.29 32.17 1ire h VAL 4 CO 0.62 0.10 0.38 0.10 0.02 0.00 0.00 177.57 178.79 1ire h TYR 5 N 0.00 0.00 -0.35 1.57 -0.00 -1.93 -3.26 116.97 113.01 1ire h TYR 5 Ca -0.00 0.00 -0.62 0.00 0.00 0.00 0.00 58.73 58.11 1ire h TYR 5 Cb 0.22 0.00 -0.03 0.00 0.00 0.00 0.00 36.73 36.92 1ire h TYR 5 CO 0.00 0.00 2.32 -3.47 -0.00 0.00 0.00 178.16 177.01 1ire n ASP 6 N -4.22 3.79 -0.04 0.10 2.03 -0.98 -4.76 116.55 112.47 1ire n ASP 6 Ca 0.09 -2.81 0.14 0.00 0.52 0.00 0.00 54.79 52.73 1ire n ASP 6 Cb 0.59 -1.59 0.53 0.00 -0.72 0.00 0.00 41.12 39.93 1ire n ASP 6 CO 0.00 0.00 0.00 1.33 -1.92 0.00 0.00 177.20 176.61 1ire n VAL 7 N 6.16 0.00 -1.62 5.18 0.24 -1.23 -4.84 118.33 122.21 1ire n VAL 7 Ca 0.49 -0.02 -0.49 0.00 -2.04 0.00 0.00 64.34 62.28 1ire n VAL 7 Cb 0.43 -0.16 -0.05 0.00 -1.47 0.00 0.00 33.84 32.58 1ire n VAL 7 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1ire n GLY 8 N 1.41 1.12 0.75 7.63 0.00 -1.26 -0.75 105.19 114.10 1ire n GLY 8 Ca 0.09 0.88 0.00 0.00 0.00 0.00 0.00 46.02 46.99 1ire n GLY 8 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ire n GLY 9 N 5.11 0.74 3.74 -0.02 0.00 -1.26 -4.56 105.19 108.94 1ire n GLY 9 Ca 0.29 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.89 1ire n GLY 9 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1ire s THR 10 N -2.28 3.20 0.22 2.61 2.01 0.07 -5.03 115.64 116.44 1ire s THR 10 Ca 0.00 1.01 0.04 0.00 0.31 0.00 0.00 61.69 63.06 1ire s THR 10 Cb 0.00 -3.65 -0.03 0.00 0.01 0.00 0.00 72.50 68.83 1ire s THR 10 CO 0.00 0.16 0.33 -1.81 -0.69 0.00 0.00 174.62 172.61 1ire s ASP 11 N 0.21 6.27 -0.00 3.53 1.01 -1.26 -4.66 116.67 121.77 1ire s ASP 11 Ca 0.55 0.08 0.00 0.00 0.71 0.00 0.00 52.55 53.89 1ire s ASP 11 Cb -0.36 -1.84 0.00 0.00 1.01 0.00 0.00 42.92 41.72 1ire s ASP 11 CO 0.39 -0.04 0.00 0.61 0.21 0.00 0.00 175.17 176.35 1ire n GLY 12 N -1.17 0.47 0.03 0.21 0.00 -1.26 -4.93 105.19 98.53 1ire n GLY 12 Ca -0.08 -0.26 0.13 0.00 0.00 0.00 0.00 46.02 45.81 1ire n GLY 12 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1ire n LEU 13 N -0.00 0.21 0.00 0.99 4.32 -1.26 -5.03 117.00 116.23 1ire n LEU 13 Ca -0.00 0.53 0.00 0.00 -0.02 0.00 0.00 56.01 56.52 1ire n LEU 13 Cb 0.00 -0.46 0.00 0.00 -1.62 0.00 0.00 43.42 41.34 1ire n LEU 13 CO 0.00 -0.10 0.00 0.61 -1.22 0.00 0.00 177.39 176.68 1ire n GLY 14 N 1.18 0.39 3.77 -0.72 0.00 -1.26 -5.00 105.19 103.55 1ire n GLY 14 Ca 0.06 -1.95 -0.34 0.00 0.00 0.00 0.00 46.02 43.79 1ire n GLY 14 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1ire s PRO 15 N -1.51 3.04 0.19 1.61 0.04 -1.26 -4.98 135.00 132.13 1ire s PRO 15 Ca 0.00 1.44 -0.30 0.00 0.04 0.00 0.00 61.00 62.18 1ire s PRO 15 Cb 0.00 -1.98 -0.08 0.00 0.04 0.00 0.00 34.50 32.48 1ire s PRO 15 CO 0.00 -1.07 1.28 0.42 0.04 0.00 0.00 177.00 177.67 1ire s ILE 16 N -2.16 3.34 -0.46 0.56 1.01 -1.26 -4.98 121.20 117.24 1ire s ILE 16 Ca 0.68 1.09 -0.17 0.00 0.00 0.00 0.00 60.65 62.25 1ire s ILE 16 Cb -0.21 -3.70 0.05 0.00 0.01 0.00 0.00 42.46 38.61 1ire s ILE 16 CO 0.36 0.16 0.47 0.21 0.00 0.00 0.00 174.94 176.14 1ire s ASN 17 N 0.36 6.18 -0.30 3.58 2.47 -1.26 -5.03 114.94 120.95 1ire s ASN 17 Ca 0.56 -0.97 -0.03 0.00 0.42 0.00 0.00 52.86 52.84 1ire s ASN 17 Cb -0.35 -2.23 0.10 0.00 -1.45 0.00 0.00 41.25 37.32 1ire s ASN 17 CO 0.37 -0.69 0.11 -0.60 -3.72 0.00 0.00 177.10 172.58 1ire s ARG 18 N 2.09 0.43 0.70 0.43 3.52 -1.26 -5.13 118.95 119.73 1ire s ARG 18 Ca 0.10 -0.76 -0.14 0.00 -0.13 0.00 0.00 55.73 54.79 1ire s ARG 18 Cb -0.20 -1.56 0.02 0.00 -1.56 0.00 0.00 34.95 31.66 1ire s ARG 18 CO 0.11 -0.99 1.14 -2.14 -0.81 0.00 0.00 175.30 172.60 1ire s PRO 19 N 1.88 2.46 0.47 5.12 0.02 -1.26 -4.90 135.00 138.79 1ire s PRO 19 Ca 0.09 1.49 0.15 0.00 0.02 0.00 0.00 61.00 62.75 1ire s PRO 19 Cb -0.17 -1.90 1.13 0.00 0.02 0.00 0.00 34.50 33.59 1ire s PRO 19 CO -0.31 -1.53 2.05 0.00 -0.33 0.00 0.00 177.00 176.88 1ire h ALA 20 N -0.26 2.03 -2.98 -1.55 0.00 -2.06 -3.44 119.26 111.00 1ire h ALA 20 Ca -0.47 -0.01 0.01 0.00 0.00 0.00 0.00 54.91 54.44 1ire h ALA 20 Cb 1.26 -0.05 -0.10 0.00 0.00 0.00 0.00 17.79 18.90 1ire h ALA 20 CO 0.52 -0.10 0.19 0.34 0.00 0.00 0.00 179.25 180.20 1ire s ASP 21 N -6.59 -0.43 0.06 0.00 2.15 -1.26 -5.19 116.67 105.41 1ire s ASP 21 Ca -0.07 -0.25 -0.26 0.00 0.43 0.00 0.00 52.55 52.40 1ire s ASP 21 Cb 0.18 0.64 0.08 0.00 -0.30 0.00 0.00 42.92 43.52 1ire s ASP 21 CO 0.72 -1.10 0.70 -1.83 -0.17 0.00 0.00 175.17 173.49 1ire s GLU 22 N -3.82 1.10 0.65 4.34 -1.05 -1.26 -5.17 118.70 113.49 1ire s GLU 22 Ca 0.05 -0.23 -0.11 0.00 -0.15 0.00 0.00 54.97 54.53 1ire s GLU 22 Cb -0.03 0.51 -0.02 0.00 -0.44 0.00 0.00 34.13 34.15 1ire s GLU 22 CO -0.05 -0.44 1.05 -1.25 0.95 0.00 0.00 175.26 175.51 1ire s PRO 23 N -2.88 3.35 0.15 -4.83 0.04 -1.26 -4.97 135.00 124.61 1ire s PRO 23 Ca -0.01 0.68 -0.15 0.00 0.04 0.00 0.00 61.00 61.56 1ire s PRO 23 Cb -0.01 -2.06 0.02 0.00 0.04 0.00 0.00 34.50 32.50 1ire s PRO 23 CO -0.06 -0.73 1.71 0.28 0.04 0.00 0.00 177.00 178.24 1ire h VAL 24 N -0.44 1.19 -3.10 -0.36 2.07 -2.03 -3.40 116.25 110.20 1ire h VAL 24 Ca -0.44 -0.58 -0.67 0.00 0.82 0.00 0.00 66.70 65.83 1ire h VAL 24 Cb 1.21 0.72 -0.35 0.00 -1.52 0.00 0.00 31.29 31.35 1ire h VAL 24 CO 0.62 0.22 -0.86 -0.36 0.02 0.00 0.00 177.57 177.21 1ire s PHE 25 N -5.64 2.80 -0.54 1.57 0.40 -1.26 -5.00 117.98 110.31 1ire s PHE 25 Ca -0.13 -1.68 0.25 0.00 -0.60 0.00 0.00 56.93 54.77 1ire s PHE 25 Cb 0.11 -1.92 0.60 0.00 0.51 0.00 0.00 43.02 42.32 1ire s PHE 25 CO 0.76 -0.81 1.70 0.00 0.70 0.00 0.00 175.22 177.57 1ire h ARG 26 N 7.93 0.00 -2.98 0.44 3.08 -1.98 -3.47 114.38 117.40 1ire h ARG 26 Ca -0.45 0.00 -0.04 0.00 0.07 0.00 0.00 59.98 59.56 1ire h ARG 26 Cb 1.14 0.00 -0.14 0.00 0.08 0.00 0.00 29.97 31.05 1ire h ARG 26 CO 0.63 0.00 0.11 0.00 -1.07 0.00 0.00 179.97 179.64 1ire s ALA 27 N -3.19 -1.41 0.40 0.04 0.00 -1.26 -5.05 121.76 111.29 1ire s ALA 27 Ca 0.08 0.44 0.09 0.00 0.00 0.00 0.00 51.96 52.57 1ire s ALA 27 Cb 0.08 0.68 0.86 0.00 0.00 0.00 0.00 23.12 24.75 1ire s ALA 27 CO 0.63 -0.66 1.99 0.93 0.00 0.00 0.00 175.76 178.64 1ire h GLU 28 N 2.31 0.58 0.00 0.00 4.39 -2.02 -1.54 114.58 118.30 1ire h GLU 28 Ca -0.33 -0.03 -0.02 0.00 0.34 0.00 0.00 59.36 59.31 1ire h GLU 28 Cb 1.27 -0.13 -0.00 0.00 -0.10 0.00 0.00 28.75 29.78 1ire h GLU 28 CO 0.41 0.38 -0.12 0.11 -1.16 0.00 0.00 179.01 178.63 1ire h TRP 29 N 0.60 0.00 -0.47 4.33 5.08 -2.00 -2.07 115.95 121.42 1ire h TRP 29 Ca 0.26 0.00 -0.09 0.00 1.08 0.00 0.00 58.89 60.14 1ire h TRP 29 Cb 0.27 0.00 -0.02 0.00 -3.00 0.00 0.00 29.16 26.41 1ire h TRP 29 CO -0.00 0.12 -0.07 0.93 -1.28 0.00 0.00 178.44 178.14 1ire h GLU 30 N 0.00 0.83 -0.71 0.12 5.08 -1.69 -0.17 114.58 118.04 1ire h GLU 30 Ca -0.00 -0.26 -0.07 0.00 -1.00 0.00 0.00 59.36 58.03 1ire h GLU 30 Cb 0.22 -0.08 -0.03 0.00 0.50 0.00 0.00 28.75 29.36 1ire h GLU 30 CO 0.02 0.87 0.16 0.87 -1.00 0.00 0.00 179.01 179.93 1ire h LYS 31 N 0.76 1.14 -0.26 2.33 1.57 -1.41 -0.49 116.57 120.21 1ire h LYS 31 Ca 0.13 -0.28 -0.04 0.00 -1.87 0.00 0.00 60.65 58.59 1ire h LYS 31 Cb 0.55 -0.15 -0.01 0.00 0.08 0.00 0.00 32.23 32.71 1ire h LYS 31 CO 0.03 1.01 0.02 0.28 -0.57 0.00 0.00 179.45 180.22 1ire h VAL 32 N 1.08 1.25 -0.36 0.50 2.07 -1.23 -1.09 116.25 118.46 1ire h VAL 32 Ca 0.22 -0.86 0.03 0.00 0.82 0.00 0.00 66.70 66.91 1ire h VAL 32 Cb 0.39 1.31 -0.03 0.00 -1.52 0.00 0.00 31.29 31.44 1ire h VAL 32 CO 0.01 0.27 0.16 0.00 0.02 0.00 0.00 177.57 178.03 1ire h ALA 33 N 0.83 0.43 0.04 1.67 0.00 -0.79 -1.48 119.26 119.96 1ire h ALA 33 Ca 0.07 0.02 -0.00 0.00 0.00 0.00 0.00 54.91 55.01 1ire h ALA 33 Cb 0.39 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 18.15 1ire h ALA 33 CO 0.01 -0.22 -0.02 0.35 0.00 0.00 0.00 179.25 179.37 1ire h PHE 34 N 0.33 -0.05 0.00 0.00 3.57 -1.01 -2.71 116.94 117.07 1ire h PHE 34 Ca 0.16 -0.00 -0.02 0.00 3.53 0.00 0.00 57.97 61.64 1ire h PHE 34 Cb 0.09 0.02 -0.00 0.00 2.79 0.00 0.00 35.95 38.85 1ire h PHE 34 CO -0.12 -0.03 -0.08 0.00 -2.23 0.00 0.00 178.31 175.86 1ire h ALA 35 N 0.91 1.50 0.00 2.41 0.00 -0.91 -1.93 119.26 121.25 1ire h ALA 35 Ca -0.00 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.84 1ire h ALA 35 Cb 0.04 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.82 1ire h ALA 35 CO 0.01 0.09 0.00 0.52 0.00 0.00 0.00 179.25 179.87 1ire h MET 36 N 0.00 0.00 0.82 0.00 2.86 -0.93 -3.09 114.93 114.58 1ire h MET 36 Ca -0.00 0.00 -0.04 0.00 -2.06 0.00 0.00 59.70 57.60 1ire h MET 36 Cb 0.18 0.00 0.01 0.00 0.06 0.00 0.00 31.60 31.85 1ire h MET 36 CO 0.01 0.00 -0.39 0.35 1.06 0.00 0.00 176.91 177.94 1ire h PHE 37 N 0.00 -1.02 0.00 -0.22 -0.00 -1.41 0.08 116.94 114.37 1ire h PHE 37 Ca 0.00 -0.02 -0.07 0.00 -0.00 0.00 0.00 57.97 57.88 1ire h PHE 37 Cb 0.32 0.34 -0.01 0.00 -0.00 0.00 0.00 35.95 36.59 1ire h PHE 37 CO 0.00 -0.63 -0.32 -1.00 -0.00 0.00 0.00 178.31 176.35 1ire h PRO 38 N -1.18 0.00 0.06 6.41 0.13 -1.75 -2.08 132.00 133.59 1ire h PRO 38 Ca -0.11 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 65.02 1ire h PRO 38 Cb 0.84 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.97 1ire h PRO 38 CO 0.18 0.32 -0.03 0.00 -0.23 0.00 0.00 178.00 178.25 1ire h ALA 39 N 1.68 -0.08 0.00 -0.56 0.00 -1.45 -0.92 119.26 117.93 1ire h ALA 39 Ca -0.00 -0.10 -0.11 0.00 0.00 0.00 0.00 54.91 54.69 1ire h ALA 39 Cb 0.63 0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.43 1ire h ALA 39 CO 0.04 -0.46 -0.54 1.79 0.00 0.00 0.00 179.25 180.08 1ire h THR 40 N -0.25 1.29 0.07 0.00 1.35 -0.93 -2.10 112.91 112.34 1ire h THR 40 Ca -0.01 -1.93 -0.00 0.00 -0.55 0.00 0.00 66.41 63.92 1ire h THR 40 Cb 0.22 2.07 0.00 0.00 -1.73 0.00 0.00 68.15 68.71 1ire h THR 40 CO 0.01 0.53 -0.03 0.15 -0.25 0.00 0.00 175.52 175.93 1ire h PHE 41 N 0.00 -0.09 -0.51 4.73 3.57 -1.25 -0.71 116.94 122.68 1ire h PHE 41 Ca -0.01 -0.00 -0.02 0.00 3.53 0.00 0.00 57.97 61.48 1ire h PHE 41 Cb 1.03 0.03 -0.03 0.00 2.79 0.00 0.00 35.95 39.77 1ire h PHE 41 CO 0.00 0.19 0.25 -0.09 -2.23 0.00 0.00 178.31 176.42 1ire h ARG 42 N -0.36 0.71 0.00 1.11 2.43 -1.11 -2.05 114.38 115.12 1ire h ARG 42 Ca -0.01 -0.08 0.00 0.00 -0.81 0.00 0.00 59.98 59.08 1ire h ARG 42 Cb 0.31 -0.14 0.00 0.00 -0.42 0.00 0.00 29.97 29.72 1ire h ARG 42 CO 0.02 0.55 0.00 0.00 -1.51 0.00 0.00 179.97 179.03 1ire n ALA 43 N -2.46 2.14 -0.82 2.80 0.00 -0.80 -4.90 120.51 116.47 1ire n ALA 43 Ca 0.04 -0.10 0.00 0.00 0.00 0.00 0.00 53.44 53.38 1ire n ALA 43 Cb 0.12 -1.37 0.00 0.00 0.00 0.00 0.00 19.45 18.20 1ire n ALA 43 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1ire n GLY 44 N 0.70 0.51 0.30 0.00 0.00 -0.77 -4.94 105.19 100.99 1ire n GLY 44 Ca 0.10 -0.70 -0.05 0.00 0.00 0.00 0.00 46.02 45.36 1ire n GLY 44 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 173.32 174.06 1ire h PHE 45 N 0.00 0.97 -1.17 1.61 -1.00 -1.35 -3.47 116.94 112.52 1ire h PHE 45 Ca 0.00 -0.12 0.36 0.00 2.81 0.00 0.00 57.97 61.02 1ire h PHE 45 Cb 0.00 -0.27 -0.15 0.00 3.61 0.00 0.00 35.95 39.14 1ire h PHE 45 CO 0.00 0.84 0.93 0.00 -1.61 0.00 0.00 178.31 178.47 1ire s MET 46 N -5.12 0.15 0.34 1.51 0.23 -1.25 -4.82 119.30 110.33 1ire s MET 46 Ca -0.10 -0.08 0.05 0.00 -1.03 0.00 0.00 55.69 54.53 1ire s MET 46 Cb 0.15 0.05 0.05 0.00 -1.53 0.00 0.00 34.83 33.55 1ire s MET 46 CO 0.82 -0.07 0.46 0.41 -2.03 0.00 0.00 175.02 174.61 1ire n GLY 47 N -0.41 2.00 0.22 3.16 0.00 -1.26 -4.45 105.19 104.45 1ire n GLY 47 Ca -0.07 -2.19 -0.08 0.00 0.00 0.00 0.00 46.02 43.68 1ire n GLY 47 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1ire h LEU 48 N 0.00 0.63 -0.68 0.99 5.85 -1.99 -0.79 115.31 119.31 1ire h LEU 48 Ca -0.16 -0.10 -0.07 0.00 0.84 0.00 0.00 57.88 58.39 1ire h LEU 48 Cb 0.73 -0.16 -0.03 0.00 0.37 0.00 0.00 40.66 41.57 1ire h LEU 48 CO 0.23 0.55 0.16 0.44 -0.34 0.00 0.00 178.44 179.48 1ire h ASP 49 N 0.66 1.04 -0.06 1.25 5.19 -1.95 -2.16 116.42 120.39 1ire h ASP 49 Ca 0.17 -0.24 -0.11 0.00 -0.62 0.00 0.00 57.03 56.23 1ire h ASP 49 Cb 0.06 -0.28 -0.01 0.00 0.18 0.00 0.00 39.33 39.29 1ire h ASP 49 CO -0.03 1.01 -0.32 -0.33 -3.12 0.00 0.00 179.24 176.45 1ire h GLU 50 N 1.03 0.53 -0.32 3.56 5.08 -1.71 -2.11 114.58 120.65 1ire h GLU 50 Ca 0.21 -0.23 0.04 0.00 -1.00 0.00 0.00 59.36 58.38 1ire h GLU 50 Cb 0.38 -0.02 -0.04 0.00 0.50 0.00 0.00 28.75 29.58 1ire h GLU 50 CO 0.00 0.79 0.08 0.35 -1.00 0.00 0.00 179.01 179.23 1ire h PHE 51 N 0.46 0.14 -0.49 4.33 3.04 -0.78 -1.26 116.94 122.37 1ire h PHE 51 Ca 0.05 0.02 -0.03 0.00 3.98 0.00 0.00 57.97 62.00 1ire h PHE 51 Cb 0.78 -0.01 -0.02 0.00 2.56 0.00 0.00 35.95 39.26 1ire h PHE 51 CO 0.03 0.04 0.21 0.00 -2.02 0.00 0.00 178.31 176.57 1ire h ARG 52 N 0.20 0.72 -0.80 1.11 3.08 -1.14 -2.87 114.38 114.68 1ire h ARG 52 Ca 0.15 -0.12 0.02 0.00 0.07 0.00 0.00 59.98 60.09 1ire h ARG 52 Cb 0.14 -0.12 -0.04 0.00 0.08 0.00 0.00 29.97 30.03 1ire h ARG 52 CO -0.18 0.64 0.53 0.35 -1.07 0.00 0.00 179.97 180.24 1ire h PHE 53 N 0.65 0.99 -0.80 3.04 3.57 -0.89 -1.17 116.94 122.32 1ire h PHE 53 Ca 0.16 0.02 -0.01 0.00 3.53 0.00 0.00 57.97 61.67 1ire h PHE 53 Cb 0.17 -0.33 -0.04 0.00 2.79 0.00 0.00 35.95 38.54 1ire h PHE 53 CO 0.00 0.60 0.44 0.78 -2.23 0.00 0.00 178.31 177.91 1ire h GLY 54 N 1.04 1.18 1.25 2.40 0.00 -1.02 -2.28 103.07 105.65 1ire h GLY 54 Ca 0.31 -0.52 -0.17 0.00 0.00 0.00 0.00 47.33 46.94 1ire h GLY 54 CO -0.08 0.50 -0.52 -2.22 0.00 0.00 0.00 176.54 174.23 1ire h ILE 55 N 1.11 1.29 0.00 2.60 2.04 -1.29 -3.07 117.51 120.19 1ire h ILE 55 Ca 0.28 -1.71 -0.01 0.00 1.00 0.00 0.00 64.86 64.42 1ire h ILE 55 Cb 0.02 1.62 -0.00 0.00 -0.74 0.00 0.00 36.82 37.71 1ire h ILE 55 CO -0.05 0.55 -0.06 -0.33 0.00 0.00 0.00 178.15 178.26 1ire h GLU 56 N 0.62 0.00 -0.11 2.37 5.08 -0.73 -1.88 114.58 119.92 1ire h GLU 56 Ca 0.02 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.38 1ire h GLU 56 Cb 1.10 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.35 1ire h GLU 56 CO 0.11 0.06 0.00 1.04 -1.00 0.00 0.00 179.01 179.22 1ire n GLN 57 N -3.56 1.57 -1.07 2.33 6.02 -0.91 -4.84 117.38 116.93 1ire n GLN 57 Ca -0.02 -0.86 -0.31 0.00 -0.01 0.00 0.00 57.00 55.81 1ire n GLN 57 Cb 0.18 -1.39 0.13 0.00 1.02 0.00 0.00 30.24 30.17 1ire n GLN 57 CO 0.00 0.00 0.00 -1.64 -1.01 0.00 0.00 177.06 174.41 1ire s MET 58 N -1.86 1.57 0.01 -1.09 -1.94 -0.71 -4.92 119.30 110.36 1ire s MET 58 Ca 0.33 1.18 -0.30 0.00 -1.71 0.00 0.00 55.69 55.18 1ire s MET 58 Cb 0.17 -1.82 -0.07 0.00 2.01 0.00 0.00 34.83 35.12 1ire s MET 58 CO 0.27 -2.12 1.71 1.21 -0.01 0.00 0.00 175.02 176.07 1ire s ASN 59 N -3.18 6.61 0.25 3.03 3.04 -1.26 -4.89 114.94 118.54 1ire s ASN 59 Ca 0.63 2.41 -0.03 0.00 0.04 0.00 0.00 52.86 55.92 1ire s ASN 59 Cb -0.19 -2.55 0.47 0.00 -1.54 0.00 0.00 41.25 37.45 1ire s ASN 59 CO 0.57 -0.93 1.76 -0.65 -3.04 0.00 0.00 177.10 174.81 1ire h PRO 60 N 9.21 0.56 -0.80 0.43 0.11 -1.94 0.67 132.00 140.23 1ire h PRO 60 Ca -0.42 -0.03 -0.04 0.00 0.11 0.00 0.00 66.00 65.61 1ire h PRO 60 Cb 1.20 -0.13 -0.04 0.00 0.11 0.00 0.00 31.00 32.15 1ire h PRO 60 CO 0.94 0.37 0.35 0.00 -0.21 0.00 0.00 178.00 179.45 1ire h ALA 61 N 1.53 1.04 -0.35 -0.75 0.00 -2.00 -0.64 119.26 118.09 1ire h ALA 61 Ca 0.43 -0.18 -0.09 0.00 0.00 0.00 0.00 54.91 55.07 1ire h ALA 61 Cb 0.59 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 18.05 1ire h ALA 61 CO -0.35 0.64 -0.14 1.49 0.00 0.00 0.00 179.25 180.89 1ire h GLU 62 N 1.15 0.71 -0.05 0.00 4.81 -1.72 -3.13 114.58 116.35 1ire h GLU 62 Ca 0.27 -0.30 0.01 0.00 -0.13 0.00 0.00 59.36 59.22 1ire h GLU 62 Cb 0.18 -0.03 -0.02 0.00 0.63 0.00 0.00 28.75 29.51 1ire h GLU 62 CO -0.03 0.90 -0.04 -0.92 -0.73 0.00 0.00 179.01 178.19 1ire h TYR 63 N 0.49 -0.10 0.00 0.92 5.03 -0.55 -1.12 116.97 121.64 1ire h TYR 63 Ca 0.08 0.01 -0.00 0.00 2.58 0.00 0.00 58.73 61.39 1ire h TYR 63 Cb 0.67 0.05 -0.00 0.00 1.55 0.00 0.00 36.73 39.00 1ire h TYR 63 CO 0.06 -0.07 -0.02 -0.07 -1.32 0.00 0.00 178.16 176.74 1ire h LEU 64 N -0.05 0.00 -1.30 2.82 3.38 -1.14 -3.29 115.31 115.73 1ire h LEU 64 Ca 0.03 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.00 1ire h LEU 64 Cb 0.10 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.85 1ire h LEU 64 CO -0.08 0.02 0.00 -0.62 0.09 0.00 0.00 178.44 177.85 1ire n GLU 65 N -4.46 -0.21 -2.95 1.13 1.02 -1.17 -5.06 120.64 108.94 1ire n GLU 65 Ca -0.03 -0.65 -0.30 0.00 -0.02 0.00 0.00 57.16 56.16 1ire n GLU 65 Cb 0.11 -0.96 -0.04 0.00 -0.02 0.00 0.00 31.44 30.53 1ire n GLU 65 CO 0.00 0.00 0.00 -1.54 1.18 0.00 0.00 177.13 176.77 1ire s SER 66 N -0.18 6.55 0.37 1.62 1.04 -0.43 -5.01 113.70 117.66 1ire s SER 66 Ca 0.00 1.12 -0.28 0.00 0.48 0.00 0.00 55.95 57.27 1ire s SER 66 Cb 0.00 -2.31 -0.11 0.00 0.10 0.00 0.00 66.02 63.69 1ire s SER 66 CO 0.00 -0.35 1.39 -2.65 0.98 0.00 0.00 173.24 172.61 1ire n PRO 67 N -1.11 2.36 -0.33 4.02 -0.02 -1.26 -4.89 135.00 133.78 1ire n PRO 67 Ca 0.02 0.83 -0.05 0.00 -2.02 0.00 0.00 63.50 62.28 1ire n PRO 67 Cb 0.54 -2.51 -0.01 0.00 -0.02 0.00 0.00 33.50 31.50 1ire n PRO 67 CO 0.00 0.00 0.00 -0.92 1.98 0.00 0.00 175.50 176.56 1ire h TYR 68 N 2.66 -1.29 0.00 6.00 3.20 -1.95 -0.54 116.97 125.05 1ire h TYR 68 Ca -0.49 0.10 0.00 0.00 3.14 0.00 0.00 58.73 61.48 1ire h TYR 68 Cb 1.26 0.69 0.00 0.00 1.54 0.00 0.00 36.73 40.22 1ire h TYR 68 CO 0.51 -0.40 0.00 1.88 -1.64 0.00 0.00 178.16 178.51 1ire h TYR 69 N -0.08 0.00 -0.06 -3.82 0.05 -1.96 -0.68 116.97 110.42 1ire h TYR 69 Ca 0.25 0.00 -0.08 0.00 0.05 0.00 0.00 58.73 58.95 1ire h TYR 69 Cb 0.55 0.00 -0.01 0.00 1.01 0.00 0.00 36.73 38.28 1ire h TYR 69 CO -0.84 0.00 -0.34 2.35 -1.05 0.00 0.00 178.16 178.28 1ire h TRP 70 N 0.00 0.13 -0.85 4.88 2.91 -1.44 -2.20 115.95 119.39 1ire h TRP 70 Ca 0.00 -0.03 0.01 0.00 1.13 0.00 0.00 58.89 60.00 1ire h TRP 70 Cb 0.06 -0.03 -0.04 0.00 -0.51 0.00 0.00 29.16 28.64 1ire h TRP 70 CO 0.00 0.44 0.55 0.45 -1.03 0.00 0.00 178.44 178.86 1ire h HIS 71 N 0.10 1.08 -0.54 2.65 -0.00 -1.21 -1.10 115.15 116.13 1ire h HIS 71 Ca 0.01 0.02 -0.02 0.00 -0.00 0.00 0.00 60.37 60.38 1ire h HIS 71 Cb 0.65 -0.36 -0.02 0.00 -0.00 0.00 0.00 27.41 27.67 1ire h HIS 71 CO 0.01 0.69 0.26 -1.49 -0.00 0.00 0.00 177.93 177.39 1ire h TRP 72 N 1.15 0.78 -0.61 2.45 4.06 -1.51 -2.19 115.95 120.08 1ire h TRP 72 Ca 0.31 -0.04 0.03 0.00 2.06 0.00 0.00 58.89 61.25 1ire h TRP 72 Cb -0.12 -0.24 -0.04 0.00 -1.00 0.00 0.00 29.16 27.76 1ire h TRP 72 CO -0.01 0.61 0.37 0.82 -3.56 0.00 0.00 178.44 176.67 1ire h ILE 73 N 0.72 1.07 -0.84 1.49 1.08 -0.97 -1.74 117.51 118.32 1ire h ILE 73 Ca 0.18 -0.25 0.04 0.00 -0.39 0.00 0.00 64.86 64.44 1ire h ILE 73 Cb 0.12 0.28 -0.05 0.00 -3.07 0.00 0.00 36.82 34.10 1ire h ILE 73 CO -0.02 0.13 0.54 0.03 -0.69 0.00 0.00 178.15 178.14 1ire h ARG 74 N 0.73 0.99 -0.02 2.37 2.47 -0.83 -1.67 114.38 118.43 1ire h ARG 74 Ca 0.24 -0.06 -0.12 0.00 -1.26 0.00 0.00 59.98 58.78 1ire h ARG 74 Cb 0.02 -0.22 -0.02 0.00 -1.65 0.00 0.00 29.97 28.10 1ire h ARG 74 CO -0.10 0.66 -0.54 0.00 0.56 0.00 0.00 179.97 180.54 1ire h THR 75 N 1.02 1.38 -0.29 2.04 1.03 -0.84 -0.10 112.91 117.16 1ire h THR 75 Ca 0.35 -1.86 -0.05 0.00 -0.01 0.00 0.00 66.41 64.84 1ire h THR 75 Cb 0.06 1.98 -0.01 0.00 -1.07 0.00 0.00 68.15 69.10 1ire h THR 75 CO -0.13 0.54 -0.01 1.88 -0.01 0.00 0.00 175.52 177.78 1ire h TYR 76 N 0.05 0.57 -0.39 0.00 0.99 -0.71 -1.77 116.97 115.70 1ire h TYR 76 Ca -0.00 -0.10 -0.06 0.00 2.00 0.00 0.00 58.73 60.56 1ire h TYR 76 Cb 0.98 -0.15 -0.01 0.00 1.00 0.00 0.00 36.73 38.55 1ire h TYR 76 CO 0.00 0.67 -0.00 0.82 -0.00 0.00 0.00 178.16 179.65 1ire h ILE 77 N 0.30 1.26 -0.07 -2.88 2.04 -1.19 0.67 117.51 117.64 1ire h ILE 77 Ca 0.08 -1.01 0.04 0.00 1.00 0.00 0.00 64.86 64.97 1ire h ILE 77 Cb 0.46 1.15 -0.04 0.00 -0.74 0.00 0.00 36.82 37.64 1ire h ILE 77 CO 0.02 0.34 -0.20 -0.74 0.00 0.00 0.00 178.15 177.57 1ire h HIS 78 N 0.51 -0.51 0.00 1.37 2.76 -0.91 -0.97 115.15 117.40 1ire h HIS 78 Ca 0.11 0.02 -0.13 0.00 -2.20 0.00 0.00 60.37 58.17 1ire h HIS 78 Cb 0.48 0.24 -0.02 0.00 1.55 0.00 0.00 27.41 29.66 1ire h HIS 78 CO 0.04 -0.28 -0.62 0.45 -1.30 0.00 0.00 177.93 176.22 1ire h HIS 79 N -0.28 0.00 -0.65 5.26 3.86 -1.30 -1.25 115.15 120.79 1ire h HIS 79 Ca 0.08 0.00 -0.07 0.00 -1.16 0.00 0.00 60.37 59.22 1ire h HIS 79 Cb 0.39 0.00 -0.03 0.00 1.06 0.00 0.00 27.41 28.84 1ire h HIS 79 CO -0.27 0.62 0.15 0.78 0.86 0.00 0.00 177.93 180.07 1ire h GLY 80 N 2.26 1.14 0.97 2.45 0.00 -0.49 -0.28 103.07 109.11 1ire h GLY 80 Ca -0.01 -0.72 -0.15 0.00 0.00 0.00 0.00 47.33 46.45 1ire h GLY 80 CO 0.08 0.67 -0.49 -2.08 0.00 0.00 0.00 176.54 174.72 1ire h VAL 81 N 0.98 1.33 -0.45 4.60 2.07 -1.10 0.22 116.25 123.90 1ire h VAL 81 Ca 0.20 -1.74 0.04 0.00 0.82 0.00 0.00 66.70 66.03 1ire h VAL 81 Cb 0.38 1.96 -0.04 0.00 -1.52 0.00 0.00 31.29 32.07 1ire h VAL 81 CO 0.00 0.54 0.21 -0.09 0.02 0.00 0.00 177.57 178.25 1ire h ARG 82 N 0.31 0.41 -0.00 1.57 2.43 -1.01 -1.97 114.38 116.11 1ire h ARG 82 Ca -0.01 -0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.13 1ire h ARG 82 Cb 1.11 -0.09 0.00 0.00 -0.42 0.00 0.00 29.97 30.57 1ire h ARG 82 CO 0.11 0.27 -0.13 0.25 -1.51 0.00 0.00 179.97 178.96 1ire n THR 83 N -4.93 0.00 -1.00 0.20 -2.24 -0.13 -4.92 114.28 101.26 1ire n THR 83 Ca 0.03 -0.02 -0.00 0.00 -2.27 0.00 0.00 64.05 61.79 1ire n THR 83 Cb 0.13 -0.24 -0.00 0.00 -2.10 0.00 0.00 70.33 68.12 1ire n THR 83 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1ire n GLY 84 N 1.40 0.47 0.20 3.38 0.00 -0.66 -4.91 105.19 105.08 1ire n GLY 84 Ca 0.10 -0.08 0.11 0.00 0.00 0.00 0.00 46.02 46.15 1ire n GLY 84 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1ire h LYS 85 N 0.86 0.00 -5.00 1.61 1.57 -0.90 -3.44 116.57 111.27 1ire h LYS 85 Ca -0.00 0.00 -0.65 0.00 -1.87 0.00 0.00 60.65 58.13 1ire h LYS 85 Cb 0.07 0.00 -0.35 0.00 0.08 0.00 0.00 32.23 32.03 1ire h LYS 85 CO 0.00 0.04 -0.86 0.42 -0.57 0.00 0.00 179.45 178.49 1ire s ILE 86 N -3.21 1.87 -0.38 1.86 -1.09 -0.20 -4.98 121.20 115.08 1ire s ILE 86 Ca 0.06 -0.85 -0.21 0.00 -2.23 0.00 0.00 60.65 57.41 1ire s ILE 86 Cb 0.06 -1.69 0.01 0.00 -1.58 0.00 0.00 42.46 39.26 1ire s ILE 86 CO 0.69 0.51 0.69 -0.62 -1.23 0.00 0.00 174.94 174.98 1ire s ASP 87 N 1.04 6.44 0.23 3.58 -1.08 -1.26 -4.12 116.67 121.50 1ire s ASP 87 Ca -0.03 0.09 -0.06 0.00 -0.52 0.00 0.00 52.55 52.03 1ire s ASP 87 Cb -0.14 -2.35 0.35 0.00 -1.46 0.00 0.00 42.92 39.32 1ire s ASP 87 CO -0.05 -0.69 1.80 -0.07 0.52 0.00 0.00 175.17 176.67 1ire h LEU 88 N 9.60 0.57 -0.81 -1.34 3.38 -1.98 -1.30 115.31 123.43 1ire h LEU 88 Ca -0.26 0.05 -0.03 0.00 0.09 0.00 0.00 57.88 57.73 1ire h LEU 88 Cb 1.10 -0.06 -0.04 0.00 0.09 0.00 0.00 40.66 41.76 1ire h LEU 88 CO 0.88 0.33 0.38 -0.33 0.09 0.00 0.00 178.44 179.79 1ire h GLU 89 N 0.70 1.17 -0.35 1.13 3.07 -1.99 0.17 114.58 118.47 1ire h GLU 89 Ca 0.36 -0.17 -0.13 0.00 -0.50 0.00 0.00 59.36 58.92 1ire h GLU 89 Cb 0.34 -0.21 -0.01 0.00 -0.84 0.00 0.00 28.75 28.03 1ire h GLU 89 CO -0.25 0.90 -0.30 1.49 -1.40 0.00 0.00 179.01 179.45 1ire h GLU 90 N 1.15 0.76 -0.59 2.33 4.57 -1.88 -1.68 114.58 119.24 1ire h GLU 90 Ca 0.28 -0.34 -0.04 0.00 -1.18 0.00 0.00 59.36 58.08 1ire h GLU 90 Cb 0.13 -0.01 -0.03 0.00 -0.16 0.00 0.00 28.75 28.67 1ire h GLU 90 CO -0.03 0.96 0.23 1.25 -1.18 0.00 0.00 179.01 180.23 1ire h LEU 91 N 0.64 0.82 -0.56 1.64 5.85 -0.70 -0.77 115.31 122.24 1ire h LEU 91 Ca 0.07 -0.18 -0.05 0.00 0.84 0.00 0.00 57.88 58.57 1ire h LEU 91 Cb 0.83 -0.21 -0.02 0.00 0.37 0.00 0.00 40.66 41.62 1ire h LEU 91 CO 0.07 0.78 0.17 -0.33 -0.34 0.00 0.00 178.44 178.78 1ire h GLU 92 N 0.82 0.88 -0.36 1.25 5.08 -0.80 -0.69 114.58 120.76 1ire h GLU 92 Ca 0.20 -0.20 -0.01 0.00 -1.00 0.00 0.00 59.36 58.35 1ire h GLU 92 Cb 0.22 -0.12 -0.02 0.00 0.50 0.00 0.00 28.75 29.33 1ire h GLU 92 CO -0.01 0.81 0.20 -0.09 -1.00 0.00 0.00 179.01 178.91 1ire h ARG 93 N 0.79 0.50 -0.13 2.33 2.43 -1.01 -2.24 114.38 117.04 1ire h ARG 93 Ca 0.18 -0.05 -0.07 0.00 -0.81 0.00 0.00 59.98 59.22 1ire h ARG 93 Cb 0.30 -0.10 -0.01 0.00 -0.42 0.00 0.00 29.97 29.74 1ire h ARG 93 CO -0.00 0.40 -0.24 0.00 -1.51 0.00 0.00 179.97 178.62 1ire h ARG 94 N 0.46 0.24 -0.31 0.20 3.08 -0.96 -1.47 114.38 115.61 1ire h ARG 94 Ca 0.13 -0.07 -0.02 0.00 0.07 0.00 0.00 59.98 60.08 1ire h ARG 94 Cb 0.04 -0.02 -0.01 0.00 0.08 0.00 0.00 29.97 30.06 1ire h ARG 94 CO -0.02 0.47 0.11 1.15 -1.07 0.00 0.00 179.97 180.61 1ire h THR 95 N 0.21 1.19 -0.65 2.04 2.02 -0.72 -0.90 112.91 116.10 1ire h THR 95 Ca 0.04 -0.61 -0.06 0.00 0.77 0.00 0.00 66.41 66.54 1ire h THR 95 Cb 0.55 1.01 -0.03 0.00 -1.74 0.00 0.00 68.15 67.94 1ire h THR 95 CO 0.04 0.21 0.16 -0.61 0.37 0.00 0.00 175.52 175.68 1ire h GLN 96 N 0.35 1.03 -0.35 6.66 5.75 -1.14 -0.33 115.11 127.09 1ire h GLN 96 Ca 0.10 -0.24 0.02 0.00 -0.15 0.00 0.00 58.65 58.38 1ire h GLN 96 Cb 0.22 -0.14 -0.02 0.00 1.07 0.00 0.00 27.48 28.60 1ire h GLN 96 CO -0.01 0.91 0.20 -0.92 -2.65 0.00 0.00 178.83 176.37 1ire h TYR 97 N 0.98 0.37 0.00 3.99 3.20 -0.92 -1.40 116.97 123.19 1ire h TYR 97 Ca 0.21 0.01 0.00 0.00 3.14 0.00 0.00 58.73 62.09 1ire h TYR 97 Cb 0.35 -0.12 0.00 0.00 1.54 0.00 0.00 36.73 38.50 1ire h TYR 97 CO 0.02 0.21 0.00 1.88 -1.64 0.00 0.00 178.16 178.64 1ire h TYR 98 N 0.40 0.00 -0.07 -3.82 -1.99 -0.85 0.10 116.97 110.74 1ire h TYR 98 Ca 0.14 0.00 -0.04 0.00 2.00 0.00 0.00 58.73 60.82 1ire h TYR 98 Cb 0.01 0.00 0.00 0.00 2.00 0.00 0.00 36.73 38.74 1ire h TYR 98 CO -0.08 0.00 -0.13 0.00 -0.00 0.00 0.00 178.16 177.95 1ire h ARG 99 N 0.00 0.21 0.00 4.88 3.08 -0.35 -2.06 114.38 120.14 1ire h ARG 99 Ca 0.00 -0.13 -0.13 0.00 0.07 0.00 0.00 59.98 59.79 1ire h ARG 99 Cb 0.69 0.01 -0.02 0.00 0.08 0.00 0.00 29.97 30.73 1ire h ARG 99 CO 0.00 0.71 -0.62 0.93 -1.07 0.00 0.00 179.97 179.92 1ire h GLU 100 N -0.26 0.00 -2.15 0.04 5.08 -1.15 -3.37 114.58 112.77 1ire h GLU 100 Ca 0.00 0.00 -0.58 0.00 -1.00 0.00 0.00 59.36 57.79 1ire h GLU 100 Cb 0.70 0.00 -0.40 0.00 0.50 0.00 0.00 28.75 29.55 1ire h GLU 100 CO 0.03 0.62 -0.91 0.09 -1.00 0.00 0.00 179.01 177.84 1ire n ASN 101 N -3.51 1.39 0.24 1.42 3.02 0.34 -4.97 115.26 113.19 1ire n ASN 101 Ca -0.00 -2.93 0.12 0.00 -0.03 0.00 0.00 54.58 51.75 1ire n ASN 101 Cb 0.68 -0.65 0.75 0.00 -0.61 0.00 0.00 39.78 39.95 1ire n ASN 101 CO 0.00 0.00 0.00 1.55 -2.62 0.00 0.00 177.26 176.19 1ire h PRO 102 N 4.28 0.00 -0.55 3.52 0.13 -1.54 -1.83 132.00 136.02 1ire h PRO 102 Ca 0.13 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.26 1ire h PRO 102 Cb 0.81 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.94 1ire h PRO 102 CO 0.58 0.00 0.00 -0.25 -0.23 0.00 0.00 178.00 178.10 1ire n ASP 103 N -4.23 3.14 -4.76 1.44 8.00 -1.26 -4.95 116.55 113.93 1ire n ASP 103 Ca -0.01 -1.98 -0.38 0.00 0.71 0.00 0.00 54.79 53.13 1ire n ASP 103 Cb 0.17 -0.36 0.02 0.00 -0.02 0.00 0.00 41.12 40.92 1ire n ASP 103 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1ire s ALA 104 N -1.27 2.91 0.75 2.24 0.00 -0.69 -4.97 121.76 120.73 1ire s ALA 104 Ca 0.39 1.18 -0.12 0.00 0.00 0.00 0.00 51.96 53.42 1ire s ALA 104 Cb 0.21 -3.49 0.04 0.00 0.00 0.00 0.00 23.12 19.88 1ire s ALA 104 CO 0.28 -1.07 1.10 -1.25 0.00 0.00 0.00 175.76 174.82 1ire s PRO 105 N -2.78 2.36 0.57 0.00 0.04 -1.26 -5.05 135.00 128.89 1ire s PRO 105 Ca 0.67 1.25 -0.08 0.00 0.04 0.00 0.00 61.00 62.88 1ire s PRO 105 Cb -0.36 -1.90 -0.03 0.00 0.04 0.00 0.00 34.50 32.25 1ire s PRO 105 CO 0.43 -1.57 0.93 -0.51 0.04 0.00 0.00 177.00 176.32 1ire s LEU 106 N -5.64 3.34 0.52 -3.56 1.43 -1.26 -5.02 118.68 108.49 1ire s LEU 106 Ca 0.63 1.11 -0.23 0.00 -1.03 0.00 0.00 54.13 54.62 1ire s LEU 106 Cb -0.18 -4.07 -0.06 0.00 0.03 0.00 0.00 46.19 41.90 1ire s LEU 106 CO 0.52 -0.84 1.35 -2.65 0.23 0.00 0.00 176.35 174.96 1ire n PRO 107 N -2.57 1.80 -1.99 1.29 -0.02 -1.26 -4.94 135.00 127.31 1ire n PRO 107 Ca 0.04 0.66 -0.41 0.00 -2.02 0.00 0.00 63.50 61.77 1ire n PRO 107 Cb 0.55 -2.55 -0.01 0.00 -0.02 0.00 0.00 33.50 31.47 1ire n PRO 107 CO 0.00 0.00 0.00 -1.21 1.98 0.00 0.00 175.50 176.27 1ire s GLU 108 N -2.72 4.23 0.09 -0.52 0.41 -1.26 -5.00 118.70 113.94 1ire s GLU 108 Ca 0.69 2.35 -0.25 0.00 -0.41 0.00 0.00 54.97 57.34 1ire s GLU 108 Cb -0.43 -3.01 0.07 0.00 -1.78 0.00 0.00 34.13 28.98 1ire s GLU 108 CO 0.52 -0.34 0.62 -3.38 -0.49 0.00 0.00 175.26 172.18 1ire s HIS 109 N -1.14 -0.57 0.07 1.61 -3.43 -1.26 -5.16 115.29 105.42 1ire s HIS 109 Ca 0.51 0.56 -0.11 0.00 -0.80 0.00 0.00 55.06 55.22 1ire s HIS 109 Cb -0.42 0.50 -0.06 0.00 -1.43 0.00 0.00 32.58 31.17 1ire s HIS 109 CO 0.57 -0.77 0.41 -1.83 -2.00 0.00 0.00 174.74 171.11 1ire s GLU 110 N -2.96 3.79 0.45 -0.38 -1.05 -1.26 -5.07 118.70 112.22 1ire s GLU 110 Ca -0.03 0.22 -0.21 0.00 -0.15 0.00 0.00 54.97 54.81 1ire s GLU 110 Cb -0.01 -3.02 -0.10 0.00 -0.44 0.00 0.00 34.13 30.56 1ire s GLU 110 CO -0.06 0.57 0.99 -0.65 0.95 0.00 0.00 175.26 177.07 1ire s GLN 111 N -1.80 4.05 -0.21 -4.83 -1.52 -1.26 -5.05 119.66 109.04 1ire s GLN 111 Ca 0.32 1.26 0.01 0.00 -1.95 0.00 0.00 55.36 54.99 1ire s GLN 111 Cb -0.14 -2.19 0.05 0.00 -0.22 0.00 0.00 33.01 30.51 1ire s GLN 111 CO 0.17 -0.20 -0.09 0.15 -0.25 0.00 0.00 175.29 175.07 1ire s LYS 112 N -3.12 1.90 0.53 2.91 1.02 -1.26 -5.00 119.74 116.71 1ire s LYS 112 Ca 0.64 -0.88 0.20 0.00 0.02 0.00 0.00 55.97 55.95 1ire s LYS 112 Cb -0.13 -2.45 1.33 0.00 -0.52 0.00 0.00 37.83 36.06 1ire s LYS 112 CO 0.17 -0.47 2.08 -1.00 -0.92 0.00 0.00 175.35 175.21 1ire h PRO 113 N 7.97 0.00 -0.44 -1.68 0.13 -2.01 -1.98 132.00 133.99 1ire h PRO 113 Ca -0.25 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 64.86 1ire h PRO 113 Cb 1.09 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.20 1ire h PRO 113 CO 0.45 0.00 0.20 0.93 -0.23 0.00 0.00 178.00 179.35 1ire h GLU 114 N 0.00 0.62 -0.07 0.86 3.07 -1.99 -0.62 114.58 116.45 1ire h GLU 114 Ca 0.12 -0.07 -0.12 0.00 -0.50 0.00 0.00 59.36 58.79 1ire h GLU 114 Cb 0.48 -0.12 -0.01 0.00 -0.84 0.00 0.00 28.75 28.25 1ire h GLU 114 CO -0.00 0.49 -0.48 -0.07 -1.40 0.00 0.00 179.01 177.56 1ire h LEU 115 N 0.62 0.19 -0.19 1.33 3.38 -1.79 -0.66 115.31 118.19 1ire h LEU 115 Ca 0.16 -0.09 -0.22 0.00 0.09 0.00 0.00 57.88 57.81 1ire h LEU 115 Cb 0.09 -0.05 0.01 0.00 0.09 0.00 0.00 40.66 40.79 1ire h LEU 115 CO -0.02 0.64 -0.83 0.40 0.09 0.00 0.00 178.44 178.73 1ire h ILE 116 N 0.15 1.31 -0.54 1.22 1.08 -1.34 -2.25 117.51 117.14 1ire h ILE 116 Ca 0.01 -2.10 0.01 0.00 -0.39 0.00 0.00 64.86 62.38 1ire h ILE 116 Cb 0.90 2.11 -0.03 0.00 -3.07 0.00 0.00 36.82 36.73 1ire h ILE 116 CO 0.07 0.65 0.36 -0.33 -0.69 0.00 0.00 178.15 178.21 1ire h GLU 117 N 0.43 0.71 -0.43 2.37 5.08 -0.91 -0.90 114.58 120.93 1ire h GLU 117 Ca -0.06 -0.04 -0.01 0.00 -1.00 0.00 0.00 59.36 58.25 1ire h GLU 117 Cb 1.45 -0.16 -0.02 0.00 0.50 0.00 0.00 28.75 30.52 1ire h GLU 117 CO 0.16 0.47 0.23 0.35 -1.00 0.00 0.00 179.01 179.22 1ire h PHE 118 N 0.73 0.60 -0.03 4.33 3.57 -1.06 -0.92 116.94 124.15 1ire h PHE 118 Ca 0.20 -0.02 0.02 0.00 3.53 0.00 0.00 57.97 61.70 1ire h PHE 118 Cb -0.08 -0.19 -0.02 0.00 2.79 0.00 0.00 35.95 38.45 1ire h PHE 118 CO -0.04 0.46 -0.06 0.28 -2.23 0.00 0.00 178.31 176.72 1ire h VAL 119 N 0.56 0.83 -0.72 1.41 2.07 -0.95 0.95 116.25 120.39 1ire h VAL 119 Ca 0.15 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.66 1ire h VAL 119 Cb 0.06 0.83 -0.03 0.00 -1.52 0.00 0.00 31.29 30.63 1ire h VAL 119 CO -0.02 0.00 0.42 0.78 0.02 0.00 0.00 177.57 178.77 1ire h ASN 120 N -0.09 0.88 -0.33 0.57 2.35 -1.02 -0.15 115.58 117.78 1ire h ASN 120 Ca 0.04 -0.08 -0.05 0.00 -0.55 0.00 0.00 56.30 55.66 1ire h ASN 120 Cb 0.14 -0.22 -0.01 0.00 0.05 0.00 0.00 38.32 38.28 1ire h ASN 120 CO -0.09 0.70 -0.01 1.56 -1.65 0.00 0.00 177.43 177.95 1ire h GLN 121 N 0.99 0.59 -0.32 0.81 4.20 -0.91 -1.48 115.11 119.00 1ire h GLN 121 Ca 0.26 -0.19 -0.08 0.00 0.06 0.00 0.00 58.65 58.70 1ire h GLN 121 Cb -0.01 -0.05 -0.01 0.00 0.30 0.00 0.00 27.48 27.71 1ire h GLN 121 CO -0.05 0.72 -0.10 0.00 -0.67 0.00 0.00 178.83 178.73 1ire h ALA 122 N 0.85 0.44 0.19 3.87 0.00 -0.67 0.24 119.26 124.18 1ire h ALA 122 Ca 0.09 -0.31 -0.01 0.00 0.00 0.00 0.00 54.91 54.69 1ire h ALA 122 Cb 0.46 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.14 1ire h ALA 122 CO 0.02 0.30 -0.09 0.28 0.00 0.00 0.00 179.25 179.75 1ire h VAL 123 N 0.40 0.91 0.00 0.00 2.07 -1.01 0.25 116.25 118.86 1ire h VAL 123 Ca 0.08 -0.51 -0.14 0.00 0.82 0.00 0.00 66.70 66.95 1ire h VAL 123 Cb 0.61 1.21 -0.02 0.00 -1.52 0.00 0.00 31.29 31.56 1ire h VAL 123 CO 0.04 0.12 -1.23 1.88 0.02 0.00 0.00 177.57 178.39 1ire h TYR 124 N -0.50 0.00 0.00 1.57 0.05 -1.36 -3.36 116.97 113.36 1ire h TYR 124 Ca -0.03 0.00 -0.19 0.00 0.05 0.00 0.00 58.73 58.56 1ire h TYR 124 Cb 0.38 0.00 -0.04 0.00 1.01 0.00 0.00 36.73 38.09 1ire h TYR 124 CO 0.01 0.51 -1.81 0.41 -1.05 0.00 0.00 178.16 176.23 1ire n GLY 125 N 1.35 -1.10 0.00 3.88 0.00 0.83 -5.07 105.19 105.09 1ire n GLY 125 Ca -0.07 -0.26 0.00 0.00 0.00 0.00 0.00 46.02 45.69 1ire n GLY 125 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ire n GLY 126 N 1.47 -1.41 2.38 -0.02 0.00 0.08 -4.76 105.19 102.92 1ire n GLY 126 Ca -0.15 -1.57 -0.26 0.00 0.00 0.00 0.00 46.02 44.04 1ire n GLY 126 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1ire n LEU 127 N -1.69 2.53 -4.64 0.99 4.77 -1.26 -4.67 117.00 113.03 1ire n LEU 127 Ca 0.00 -5.20 -0.47 0.00 -0.03 0.00 0.00 56.01 50.30 1ire n LEU 127 Cb 0.00 -0.17 -0.04 0.00 -2.33 0.00 0.00 43.42 40.88 1ire n LEU 127 CO 0.00 2.10 1.01 -0.81 -1.33 0.00 0.00 177.39 178.36 1ire n PRO 128 N 0.90 1.77 0.00 3.23 -0.04 -1.26 -4.91 135.00 134.70 1ire n PRO 128 Ca 0.27 0.64 0.11 0.00 -0.04 0.00 0.00 63.50 64.48 1ire n PRO 128 Cb 0.46 -2.31 0.01 0.00 -0.04 0.00 0.00 33.50 31.63 1ire n PRO 128 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1ire n ALA 129 N 2.51 3.38 -1.83 0.55 0.00 -1.26 -4.96 120.51 118.90 1ire n ALA 129 Ca 0.15 -0.65 -0.41 0.00 0.00 0.00 0.00 53.44 52.53 1ire n ALA 129 Cb 0.27 -0.80 -0.02 0.00 0.00 0.00 0.00 19.45 18.90 1ire n ALA 129 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 1ire s SER 130 N -2.40 6.82 0.08 0.00 1.04 -1.26 -1.88 113.70 116.10 1ire s SER 130 Ca 0.20 2.60 -0.00 0.00 0.48 0.00 0.00 55.95 59.22 1ire s SER 130 Cb 0.18 -2.64 -0.04 0.00 0.10 0.00 0.00 66.02 63.63 1ire s SER 130 CO 0.53 -0.53 -0.02 -0.13 0.98 0.00 0.00 173.24 174.07 1ire s ARG 131 N -1.21 0.75 -0.12 4.02 1.81 -0.13 -4.93 118.95 119.14 1ire s ARG 131 Ca 0.52 -1.31 -0.06 0.00 -1.72 0.00 0.00 55.73 53.17 1ire s ARG 131 Cb -0.39 0.12 -0.04 0.00 -0.45 0.00 0.00 34.95 34.19 1ire s ARG 131 CO 0.48 -0.13 0.09 -1.21 -0.68 0.00 0.00 175.30 173.85 1ire s GLU 132 N -3.93 3.36 0.19 3.54 2.02 -1.26 -3.94 118.70 118.67 1ire s GLU 132 Ca 0.13 -0.23 0.07 0.00 0.02 0.00 0.00 54.97 54.96 1ire s GLU 132 Cb 0.07 -3.08 -0.05 0.00 0.10 0.00 0.00 34.13 31.18 1ire s GLU 132 CO -0.06 0.71 -0.14 0.14 0.02 0.00 0.00 175.26 175.94 1ire s VAL 133 N -0.86 1.62 0.03 2.63 -7.23 -1.26 -5.03 120.40 110.29 1ire s VAL 133 Ca 0.14 -2.13 0.10 0.00 -1.81 0.00 0.00 61.98 58.29 1ire s VAL 133 Cb -0.12 -1.95 -0.09 0.00 0.56 0.00 0.00 36.38 34.78 1ire s VAL 133 CO 0.03 -0.59 1.37 0.44 -0.31 0.00 0.00 175.10 176.05 1ire h ASP 134 N 2.72 0.00 -3.79 4.85 5.19 -1.99 -3.46 116.42 119.95 1ire h ASP 134 Ca -0.38 0.00 -0.48 0.00 -0.62 0.00 0.00 57.03 55.54 1ire h ASP 134 Cb 1.21 0.00 -0.02 0.00 0.18 0.00 0.00 39.33 40.70 1ire h ASP 134 CO 0.60 0.78 0.26 0.00 -3.12 0.00 0.00 179.24 177.76 1ire s ARG 135 N -2.87 4.44 0.62 3.56 1.70 -1.26 -5.07 118.95 120.07 1ire s ARG 135 Ca 0.02 1.15 -0.09 0.00 -0.47 0.00 0.00 55.73 56.34 1ire s ARG 135 Cb 0.09 -2.78 -0.01 0.00 -0.57 0.00 0.00 34.95 31.69 1ire s ARG 135 CO 0.79 0.29 0.98 -1.25 -1.08 0.00 0.00 175.30 175.03 1ire s PRO 136 N -2.13 3.12 0.26 3.89 0.04 -1.26 -5.01 135.00 133.92 1ire s PRO 136 Ca 0.49 0.34 -0.30 0.00 0.04 0.00 0.00 61.00 61.57 1ire s PRO 136 Cb -0.17 -2.16 -0.10 0.00 0.04 0.00 0.00 34.50 32.11 1ire s PRO 136 CO 0.22 -0.72 1.46 -1.25 0.04 0.00 0.00 177.00 176.75 1ire s PRO 137 N -5.13 4.24 0.22 0.56 0.04 -1.26 -4.92 135.00 128.76 1ire s PRO 137 Ca 0.55 2.35 0.10 0.00 0.04 0.00 0.00 61.00 64.04 1ire s PRO 137 Cb -0.11 -3.09 0.14 0.00 0.04 0.00 0.00 34.50 31.48 1ire s PRO 137 CO 0.49 -0.45 1.48 -0.22 0.04 0.00 0.00 177.00 178.34 1ire h LYS 138 N 4.88 0.00 -5.79 4.56 3.64 -1.99 -3.46 116.57 118.41 1ire h LYS 138 Ca -0.46 0.00 -0.62 0.00 -1.27 0.00 0.00 60.65 58.30 1ire h LYS 138 Cb 1.22 0.00 -0.13 0.00 -0.41 0.00 0.00 32.23 32.91 1ire h LYS 138 CO 0.77 0.74 -0.62 -0.06 -2.27 0.00 0.00 179.45 178.00 1ire s PHE 139 N -3.19 2.49 0.19 1.91 0.40 -1.26 -5.10 117.98 113.41 1ire s PHE 139 Ca 0.00 -0.59 -0.09 0.00 -0.60 0.00 0.00 56.93 55.65 1ire s PHE 139 Cb 0.11 -1.64 -0.01 0.00 0.51 0.00 0.00 43.02 41.99 1ire s PHE 139 CO 0.78 0.48 0.32 -1.59 0.70 0.00 0.00 175.22 175.91 1ire s LYS 140 N -3.69 1.25 0.24 0.44 -2.85 -1.26 -4.97 119.74 108.91 1ire s LYS 140 Ca 0.34 -1.23 -0.31 0.00 -1.00 0.00 0.00 55.97 53.78 1ire s LYS 140 Cb 0.07 0.39 -0.14 0.00 -2.06 0.00 0.00 37.83 36.09 1ire s LYS 140 CO 0.18 -0.47 1.30 0.39 0.10 0.00 0.00 175.35 176.85 1ire n GLU 141 N -0.26 1.80 0.00 1.78 1.02 -1.26 -1.90 120.64 121.82 1ire n GLU 141 Ca -0.05 0.64 0.00 0.00 -0.02 0.00 0.00 57.16 57.73 1ire n GLU 141 Cb 0.63 -2.22 0.00 0.00 -0.02 0.00 0.00 31.44 29.83 1ire n GLU 141 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1ire n GLY 142 N 1.88 3.33 3.75 0.62 0.00 -0.38 -4.98 105.19 109.40 1ire n GLY 142 Ca 0.11 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.72 1ire n GLY 142 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1ire s ASP 143 N -0.67 6.59 -0.26 1.61 1.01 -0.80 -4.71 116.67 119.44 1ire s ASP 143 Ca 0.00 2.73 -0.16 0.00 0.71 0.00 0.00 52.55 55.83 1ire s ASP 143 Cb 0.00 -2.63 -0.03 0.00 1.01 0.00 0.00 42.92 41.27 1ire s ASP 143 CO 0.00 -0.75 0.41 -0.69 0.21 0.00 0.00 175.17 174.35 1ire s VAL 144 N -0.00 5.15 0.26 -1.27 1.01 0.10 -0.70 120.40 124.95 1ire s VAL 144 Ca 0.60 0.65 0.07 0.00 0.00 0.00 0.00 61.98 63.30 1ire s VAL 144 Cb -0.43 -3.73 -0.05 0.00 0.00 0.00 0.00 36.38 32.16 1ire s VAL 144 CO 0.44 0.14 -0.07 0.68 0.00 0.00 0.00 175.10 176.29 1ire s VAL 145 N 2.09 1.60 -0.08 2.92 -7.23 0.06 -0.24 120.40 119.52 1ire s VAL 145 Ca 0.17 -2.14 0.05 0.00 -1.81 0.00 0.00 61.98 58.25 1ire s VAL 145 Cb -0.16 -2.34 -0.00 0.00 0.56 0.00 0.00 36.38 34.44 1ire s VAL 145 CO 0.10 -0.37 -0.23 -0.60 -0.31 0.00 0.00 175.10 173.68 1ire s ARG 146 N -3.72 2.74 0.22 4.82 3.52 -0.15 -0.69 118.95 125.70 1ire s ARG 146 Ca 0.28 -0.84 -0.30 0.00 -0.13 0.00 0.00 55.73 54.74 1ire s ARG 146 Cb 0.03 -2.16 -0.09 0.00 -1.56 0.00 0.00 34.95 31.18 1ire s ARG 146 CO 0.10 0.23 1.06 0.12 -0.81 0.00 0.00 175.30 176.00 1ire s PHE 147 N 0.20 3.69 0.58 5.12 5.36 -0.05 -1.82 117.98 131.06 1ire s PHE 147 Ca -0.13 1.72 -0.19 0.00 -0.96 0.00 0.00 56.93 57.36 1ire s PHE 147 Cb -0.16 -3.20 -0.05 0.00 -0.34 0.00 0.00 43.02 39.27 1ire s PHE 147 CO 0.07 -0.30 1.09 0.45 -1.46 0.00 0.00 175.22 175.07 1ire n SER 148 N 1.77 1.35 -1.32 6.13 2.88 0.16 -0.77 113.62 123.82 1ire n SER 148 Ca 0.00 0.86 0.10 0.00 -1.33 0.00 0.00 58.87 58.50 1ire n SER 148 Cb 0.46 -1.44 0.31 0.00 -0.75 0.00 0.00 64.21 62.79 1ire n SER 148 CO 0.00 0.00 0.00 0.35 -1.23 0.00 0.00 175.04 174.16 1ire n THR 149 N -1.53 1.28 -1.89 2.46 -2.24 -1.26 -3.24 114.28 107.85 1ire n THR 149 Ca 0.13 -1.08 -0.36 0.00 -2.27 0.00 0.00 64.05 60.47 1ire n THR 149 Cb 0.46 0.37 0.05 0.00 -2.10 0.00 0.00 70.33 69.11 1ire n THR 149 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1ire s ALA 150 N -1.29 2.47 -0.45 6.98 0.00 -1.26 -4.99 121.76 123.21 1ire s ALA 150 Ca 0.46 1.05 0.07 0.00 0.00 0.00 0.00 51.96 53.55 1ire s ALA 150 Cb 0.26 -3.48 0.24 0.00 0.00 0.00 0.00 23.12 20.14 1ire s ALA 150 CO 0.28 -1.34 0.54 -1.13 0.00 0.00 0.00 175.76 174.12 1ire n SER 151 N -1.77 0.89 -4.74 0.00 3.41 -1.26 -5.09 113.62 105.06 1ire n SER 151 Ca 0.14 -2.82 -0.42 0.00 -0.26 0.00 0.00 58.87 55.52 1ire n SER 151 Cb 0.49 -0.64 -0.00 0.00 -0.26 0.00 0.00 64.21 63.80 1ire n SER 151 CO 0.00 0.00 0.00 -0.81 -0.16 0.00 0.00 175.04 174.07 1ire n PRO 152 N 1.48 2.47 0.14 4.33 -0.04 -1.26 -4.90 135.00 137.22 1ire n PRO 152 Ca 0.24 0.87 0.13 0.00 -0.04 0.00 0.00 63.50 64.69 1ire n PRO 152 Cb 0.50 -2.55 0.34 0.00 -0.04 0.00 0.00 33.50 31.75 1ire n PRO 152 CO 0.00 0.00 0.00 0.87 -0.04 0.00 0.00 175.50 176.33 1ire h LYS 153 N 2.92 0.00 0.00 0.54 1.57 -1.99 -2.70 116.57 116.91 1ire h LYS 153 Ca -0.49 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.29 1ire h LYS 153 Cb 1.26 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.57 1ire h LYS 153 CO 0.64 0.00 0.00 0.41 -0.57 0.00 0.00 179.45 179.93 1ire n GLY 154 N 1.23 1.23 3.77 3.86 0.00 -1.26 -4.29 105.19 109.72 1ire n GLY 154 Ca 0.05 -2.00 -0.40 0.00 0.00 0.00 0.00 46.02 43.67 1ire n GLY 154 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 1ire s HIS 155 N 0.77 2.90 0.04 1.61 2.46 -1.26 0.16 115.29 121.97 1ire s HIS 155 Ca 0.00 1.42 -0.28 0.00 0.47 0.00 0.00 55.06 56.67 1ire s HIS 155 Cb 0.00 -3.66 0.09 0.00 -0.13 0.00 0.00 32.58 28.88 1ire s HIS 155 CO 0.00 -1.99 0.89 0.00 -2.47 0.00 0.00 174.74 171.17 1ire s ALA 156 N -1.23 -1.78 -0.68 1.58 0.00 -1.26 -4.09 121.76 114.30 1ire s ALA 156 Ca 0.54 0.79 0.03 0.00 0.00 0.00 0.00 51.96 53.32 1ire s ALA 156 Cb -0.38 0.49 0.35 0.00 0.00 0.00 0.00 23.12 23.58 1ire s ALA 156 CO 0.50 -0.77 1.27 0.54 0.00 0.00 0.00 175.76 177.30 1ire n ARG 157 N -0.30 3.75 -3.63 0.00 5.12 -1.26 -4.67 116.66 115.67 1ire n ARG 157 Ca -0.08 -4.64 -0.31 0.00 -1.93 0.00 0.00 57.85 50.88 1ire n ARG 157 Cb 0.62 -2.30 -0.08 0.00 -1.16 0.00 0.00 32.46 29.53 1ire n ARG 157 CO 0.00 0.00 0.00 0.54 -1.93 0.00 0.00 177.63 176.24 1ire n ARG 158 N -0.27 2.44 -1.64 5.56 1.74 -1.26 -4.99 116.66 118.23 1ire n ARG 158 Ca 0.38 -4.55 -0.47 0.00 -0.77 0.00 0.00 57.85 52.44 1ire n ARG 158 Cb 0.40 -2.33 -0.04 0.00 -1.02 0.00 0.00 32.46 29.46 1ire n ARG 158 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1ire n ALA 159 N 1.69 0.58 -0.20 7.54 0.00 -1.26 -4.84 120.51 124.01 1ire n ALA 159 Ca 0.24 0.46 0.17 0.00 0.00 0.00 0.00 53.44 54.31 1ire n ALA 159 Cb 0.37 -2.24 0.51 0.00 0.00 0.00 0.00 19.45 18.09 1ire n ALA 159 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1ire h ARG 160 N 5.00 0.40 0.00 0.00 3.08 -1.91 -2.04 114.38 118.91 1ire h ARG 160 Ca -0.45 -0.02 0.00 0.00 0.07 0.00 0.00 59.98 59.57 1ire h ARG 160 Cb 1.29 -0.09 0.00 0.00 0.08 0.00 0.00 29.97 31.25 1ire h ARG 160 CO 0.82 0.26 0.00 0.10 -1.07 0.00 0.00 179.97 180.08 1ire h TYR 161 N 0.41 0.00 0.00 3.04 -0.00 -1.88 -2.88 116.97 115.66 1ire h TYR 161 Ca 0.42 0.00 0.00 0.00 -0.00 0.00 0.00 58.73 59.15 1ire h TYR 161 Cb 1.01 0.00 0.00 0.00 -0.00 0.00 0.00 36.73 37.74 1ire h TYR 161 CO -0.00 0.00 -1.09 1.33 -0.00 0.00 0.00 178.16 178.39 1ire n VAL 162 N -2.87 0.00 -1.72 -0.90 0.24 -0.77 -4.88 118.33 107.42 1ire n VAL 162 Ca -0.01 -0.17 -0.42 0.00 -2.04 0.00 0.00 64.34 61.70 1ire n VAL 162 Cb 0.19 0.76 -0.02 0.00 -1.47 0.00 0.00 33.84 33.30 1ire n VAL 162 CO 0.00 0.00 0.00 0.54 -2.14 0.00 0.00 176.83 175.23 1ire n ARG 163 N -1.60 2.63 -0.86 7.34 1.74 -1.09 -1.75 116.66 123.07 1ire n ARG 163 Ca 0.02 0.94 0.00 0.00 -0.77 0.00 0.00 57.85 58.04 1ire n ARG 163 Cb 0.33 -2.74 0.00 0.00 -1.02 0.00 0.00 32.46 29.03 1ire n ARG 163 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1ire n GLY 164 N 2.95 0.67 3.86 -0.13 0.00 0.05 -4.94 105.19 107.66 1ire n GLY 164 Ca 0.12 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.82 1ire n GLY 164 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1ire s LYS 165 N -0.33 3.89 -0.17 1.61 -0.14 -0.72 -4.71 119.74 119.18 1ire s LYS 165 Ca 0.00 0.48 -0.08 0.00 -1.36 0.00 0.00 55.97 55.01 1ire s LYS 165 Cb 0.00 -2.51 -0.04 0.00 -1.68 0.00 0.00 37.83 33.59 1ire s LYS 165 CO 0.00 0.20 0.11 0.99 -0.76 0.00 0.00 175.35 175.89 1ire s THR 166 N -1.96 5.26 0.24 2.17 2.01 -1.26 -0.88 115.64 121.22 1ire s THR 166 Ca 0.51 0.13 0.02 0.00 0.31 0.00 0.00 61.69 62.66 1ire s THR 166 Cb -0.11 -3.36 -0.01 0.00 0.01 0.00 0.00 72.50 69.04 1ire s THR 166 CO 0.20 0.50 0.26 0.61 -0.69 0.00 0.00 174.62 175.50 1ire n GLY 167 N 3.08 2.87 3.25 4.40 0.00 0.13 -4.70 105.19 114.23 1ire n GLY 167 Ca -0.17 -1.69 -0.32 0.00 0.00 0.00 0.00 46.02 43.84 1ire n GLY 167 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1ire s THR 168 N -2.83 2.06 0.02 2.61 2.01 -0.42 -0.76 115.64 118.33 1ire s THR 168 Ca 0.24 -1.05 -0.30 0.00 0.31 0.00 0.00 61.69 60.89 1ire s THR 168 Cb 0.00 -1.76 -0.07 0.00 0.01 0.00 0.00 72.50 70.69 1ire s THR 168 CO 0.17 0.57 1.63 -0.69 -0.69 0.00 0.00 174.62 175.61 1ire s VAL 169 N 0.05 3.33 -0.17 3.82 1.01 0.12 -0.46 120.40 128.10 1ire s VAL 169 Ca -0.10 0.64 -0.02 0.00 0.00 0.00 0.00 61.98 62.49 1ire s VAL 169 Cb -0.16 -3.41 -0.23 0.00 0.00 0.00 0.00 36.38 32.59 1ire s VAL 169 CO 0.06 -0.02 0.15 0.52 0.00 0.00 0.00 175.10 175.81 1ire n VAL 170 N 5.01 1.66 -3.60 2.92 0.31 0.11 -1.25 118.33 123.49 1ire n VAL 170 Ca 0.16 -0.63 -0.13 0.00 -0.01 0.00 0.00 64.34 63.73 1ire n VAL 170 Cb 0.42 -1.57 -0.07 0.00 -0.91 0.00 0.00 33.84 31.71 1ire n VAL 170 CO 0.00 0.00 0.00 -0.75 -1.32 0.00 0.00 176.83 174.76 1ire s LYS 171 N -2.54 0.74 -0.26 5.55 2.20 -1.17 -4.81 119.74 119.44 1ire s LYS 171 Ca -0.26 0.59 -0.11 0.00 -0.36 0.00 0.00 55.97 55.84 1ire s LYS 171 Cb 0.07 0.36 -0.05 0.00 -1.51 0.00 0.00 37.83 36.70 1ire s LYS 171 CO 0.71 -0.15 0.18 -1.58 -0.36 0.00 0.00 175.35 174.16 1ire s HIS 172 N -0.21 3.26 -2.20 4.03 5.65 -1.26 -1.11 115.29 123.46 1ire s HIS 172 Ca -0.01 0.17 0.24 0.00 0.25 0.00 0.00 55.06 55.70 1ire s HIS 172 Cb -0.03 -2.34 0.18 0.00 -1.18 0.00 0.00 32.58 29.21 1ire s HIS 172 CO 0.01 -0.06 1.21 0.72 -0.65 0.00 0.00 174.74 175.97 1ire n HIS 173 N 4.73 0.00 0.00 3.88 -0.00 -0.14 -5.02 115.22 118.67 1ire n HIS 173 Ca -0.14 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.58 1ire n HIS 173 Cb 0.52 -0.02 0.00 0.00 -0.00 0.00 0.00 29.99 30.49 1ire n HIS 173 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.34 176.75 1ire n GLY 174 N 1.39 -1.58 3.89 -1.41 0.00 -1.25 -4.93 105.19 101.29 1ire n GLY 174 Ca 0.11 -2.10 -0.33 0.00 0.00 0.00 0.00 46.02 43.70 1ire n GLY 174 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ire s ALA 175 N -1.92 3.82 0.18 4.61 0.00 -1.25 -0.14 121.76 127.05 1ire s ALA 175 Ca 0.00 -0.55 -0.03 0.00 0.00 0.00 0.00 51.96 51.38 1ire s ALA 175 Cb 0.00 -2.11 -0.03 0.00 0.00 0.00 0.00 23.12 20.98 1ire s ALA 175 CO 0.00 0.66 0.16 0.71 0.00 0.00 0.00 175.76 177.28 1ire s TYR 176 N -1.47 0.90 0.22 0.00 1.51 -0.18 -0.96 117.35 117.36 1ire s TYR 176 Ca 0.34 -1.20 -0.32 0.00 -1.01 0.00 0.00 57.07 54.89 1ire s TYR 176 Cb -0.13 -0.40 -0.14 0.00 -0.11 0.00 0.00 41.96 41.18 1ire s TYR 176 CO 0.21 -0.64 1.37 -0.89 -1.11 0.00 0.00 175.55 174.48 1ire n ILE 177 N -0.22 0.84 -3.19 2.71 5.41 -0.79 -1.40 119.36 122.72 1ire n ILE 177 Ca -0.02 -0.21 -0.41 0.00 1.00 0.00 0.00 62.75 63.11 1ire n ILE 177 Cb 0.64 -1.33 -0.07 0.00 -0.71 0.00 0.00 39.64 38.17 1ire n ILE 177 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 176.55 176.08 1ire s TYR 178 N -0.00 3.20 0.23 1.39 5.04 -0.06 -4.79 117.35 122.35 1ire s TYR 178 Ca 0.70 0.41 -0.07 0.00 -2.44 0.00 0.00 57.07 55.67 1ire s TYR 178 Cb -0.70 -2.92 0.32 0.00 0.35 0.00 0.00 41.96 39.01 1ire s TYR 178 CO 0.49 -0.47 1.80 -1.35 -1.34 0.00 0.00 175.55 174.68 1ire h PRO 179 N 8.29 0.67 -0.14 4.97 0.11 -1.91 -0.07 132.00 143.92 1ire h PRO 179 Ca -0.28 -0.04 0.04 0.00 0.11 0.00 0.00 66.00 65.83 1ire h PRO 179 Cb 1.13 -0.15 -0.01 0.00 0.11 0.00 0.00 31.00 32.08 1ire h PRO 179 CO 0.77 0.44 0.17 -0.44 -0.21 0.00 0.00 178.00 178.73 1ire h ASP 180 N 0.69 0.00 0.00 -2.05 3.45 -1.95 0.17 116.42 116.73 1ire h ASP 180 Ca 0.35 0.00 -0.42 0.00 0.43 0.00 0.00 57.03 57.38 1ire h ASP 180 Cb 0.30 0.00 -0.06 0.00 -0.56 0.00 0.00 39.33 39.01 1ire h ASP 180 CO -0.23 0.00 -2.42 0.35 -1.57 0.00 0.00 179.24 175.37 1ire n THR 181 N -3.77 1.39 -0.11 0.35 -2.24 -1.04 -4.45 114.28 104.43 1ire n THR 181 Ca 0.01 -0.37 -0.07 0.00 -2.27 0.00 0.00 64.05 61.34 1ire n THR 181 Cb 0.28 -1.79 0.01 0.00 -2.10 0.00 0.00 70.33 66.72 1ire n THR 181 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1ire h ALA 182 N -0.81 0.44 0.00 6.98 0.00 0.21 0.15 119.26 126.23 1ire h ALA 182 Ca -0.63 0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.28 1ire h ALA 182 Cb 1.59 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 19.32 1ire h ALA 182 CO -0.36 -0.18 0.00 0.41 0.00 0.00 0.00 179.25 179.12 1ire n GLY 183 N -1.20 -1.12 0.91 0.00 0.00 0.57 -2.50 105.19 101.84 1ire n GLY 183 Ca 0.01 0.05 0.09 0.00 0.00 0.00 0.00 46.02 46.16 1ire n GLY 183 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1ire n ASN 184 N -1.99 3.91 -1.39 1.61 3.02 -0.85 -4.33 115.26 115.25 1ire n ASN 184 Ca 0.02 -3.02 -0.14 0.00 -0.03 0.00 0.00 54.58 51.41 1ire n ASN 184 Cb 0.18 -0.55 -0.03 0.00 -0.61 0.00 0.00 39.78 38.78 1ire n ASN 184 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1ire n GLY 185 N -0.50 0.45 1.05 7.41 0.00 -1.04 -4.91 105.19 107.64 1ire n GLY 185 Ca 0.21 -0.33 0.08 0.00 0.00 0.00 0.00 46.02 45.99 1ire n GLY 185 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1ire n LEU 186 N -1.84 3.74 0.00 0.99 4.77 0.48 -5.02 117.00 120.11 1ire n LEU 186 Ca -0.16 -2.28 0.00 0.00 -0.03 0.00 0.00 56.01 53.54 1ire n LEU 186 Cb 0.56 -0.42 0.00 0.00 -2.33 0.00 0.00 43.42 41.24 1ire n LEU 186 CO 0.20 0.79 0.00 0.61 -1.33 0.00 0.00 177.39 177.66 1ire n GLY 187 N 0.69 0.11 0.23 -0.72 0.00 -1.24 -4.74 105.19 99.53 1ire n GLY 187 Ca 0.19 -1.82 -0.09 0.00 0.00 0.00 0.00 46.02 44.30 1ire n GLY 187 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1ire h GLU 188 N 0.00 0.76 -7.10 1.61 5.08 -1.90 -1.31 114.58 111.72 1ire h GLU 188 Ca 0.00 -0.17 -0.29 0.00 -1.00 0.00 0.00 59.36 57.90 1ire h GLU 188 Cb 0.00 -0.11 -0.01 0.00 0.50 0.00 0.00 28.75 29.14 1ire h GLU 188 CO 0.00 0.73 -0.50 0.00 -1.00 0.00 0.00 179.01 178.24 1ire n PRO 190 N -2.83 0.94 -4.03 0.00 -0.02 -1.26 -4.09 135.00 123.70 1ire n PRO 190 Ca -0.06 0.33 -0.11 0.00 -2.02 0.00 0.00 63.50 61.64 1ire n PRO 190 Cb 0.28 -1.67 -0.11 0.00 -0.02 0.00 0.00 33.50 31.98 1ire n PRO 190 CO 0.00 0.00 0.00 -1.21 1.98 0.00 0.00 175.50 176.27 1ire s GLU 191 N -1.58 0.44 0.43 -0.52 0.41 -0.49 -4.89 118.70 112.50 1ire s GLU 191 Ca 0.62 -0.73 -0.25 0.00 -0.41 0.00 0.00 54.97 54.19 1ire s GLU 191 Cb -0.67 -0.08 -0.08 0.00 -1.78 0.00 0.00 34.13 31.52 1ire s GLU 191 CO 0.58 -0.01 1.35 -1.01 -0.49 0.00 0.00 175.26 175.68 1ire s HIS 192 N -1.61 2.66 -0.05 1.61 3.76 -1.26 -1.01 115.29 119.39 1ire s HIS 192 Ca -0.11 1.36 0.04 0.00 -0.15 0.00 0.00 55.06 56.19 1ire s HIS 192 Cb -0.09 -3.76 -0.03 0.00 1.11 0.00 0.00 32.58 29.82 1ire s HIS 192 CO -0.01 -2.42 -0.15 -1.17 -0.85 0.00 0.00 174.74 170.14 1ire s LEU 193 N -2.62 2.70 0.02 0.89 2.96 0.80 -0.30 118.68 123.13 1ire s LEU 193 Ca 0.59 -0.21 0.01 0.00 -0.22 0.00 0.00 54.13 54.31 1ire s LEU 193 Cb -0.40 -1.54 -0.01 0.00 0.50 0.00 0.00 46.19 44.73 1ire s LEU 193 CO 0.51 0.34 -0.05 -0.31 -1.32 0.00 0.00 176.35 175.52 1ire s TYR 194 N -0.71 0.45 -0.17 5.38 1.51 -0.16 -0.96 117.35 122.68 1ire s TYR 194 Ca 0.11 -0.30 -0.14 0.00 -1.01 0.00 0.00 57.07 55.73 1ire s TYR 194 Cb -0.11 -0.28 -0.05 0.00 -0.11 0.00 0.00 41.96 41.42 1ire s TYR 194 CO 0.00 -0.06 0.30 0.99 -1.11 0.00 0.00 175.55 175.67 1ire s THR 195 N -0.79 5.30 -0.04 -0.71 2.01 -0.26 0.46 115.64 121.61 1ire s THR 195 Ca -0.06 0.54 0.07 0.00 0.31 0.00 0.00 61.69 62.55 1ire s THR 195 Cb -0.06 -3.63 -0.01 0.00 0.01 0.00 0.00 72.50 68.80 1ire s THR 195 CO -0.00 0.37 -0.25 -0.69 -0.69 0.00 0.00 174.62 173.36 1ire s VAL 196 N 0.61 1.98 -0.21 3.82 1.01 0.09 0.08 120.40 127.78 1ire s VAL 196 Ca 0.16 -1.04 -0.13 0.00 0.00 0.00 0.00 61.98 60.96 1ire s VAL 196 Cb -0.13 -1.66 -0.04 0.00 0.00 0.00 0.00 36.38 34.54 1ire s VAL 196 CO 0.04 0.55 0.29 -0.60 0.00 0.00 0.00 175.10 175.38 1ire s ARG 197 N -0.33 4.16 -0.11 2.72 3.52 0.39 -1.06 118.95 128.24 1ire s ARG 197 Ca 0.02 0.01 0.03 0.00 -0.13 0.00 0.00 55.73 55.66 1ire s ARG 197 Cb -0.12 -3.51 0.00 0.00 -1.56 0.00 0.00 34.95 29.76 1ire s ARG 197 CO 0.02 0.06 -0.22 -0.06 -0.81 0.00 0.00 175.30 174.29 1ire s PHE 198 N 1.03 2.44 0.60 5.12 0.40 0.14 -1.30 117.98 126.41 1ire s PHE 198 Ca 0.14 -1.06 -0.17 0.00 -0.60 0.00 0.00 56.93 55.25 1ire s PHE 198 Cb -0.14 -1.65 -0.03 0.00 0.51 0.00 0.00 43.02 41.71 1ire s PHE 198 CO 0.06 -0.45 1.10 0.95 0.70 0.00 0.00 175.22 177.57 1ire s THR 199 N 0.51 3.40 0.38 0.64 -4.23 -1.26 0.01 115.64 115.09 1ire s THR 199 Ca -0.15 0.73 0.07 0.00 -1.18 0.00 0.00 61.69 61.15 1ire s THR 199 Cb -0.17 -3.25 0.19 0.00 1.34 0.00 0.00 72.50 70.62 1ire s THR 199 CO 0.05 -0.33 1.95 0.00 -0.54 0.00 0.00 174.62 175.75 1ire h ALA 200 N 0.57 1.52 -0.29 3.99 0.00 -1.36 -2.04 119.26 121.65 1ire h ALA 200 Ca -0.48 -0.15 -0.10 0.00 0.00 0.00 0.00 54.91 54.19 1ire h ALA 200 Cb 1.24 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.89 1ire h ALA 200 CO 0.56 0.35 -0.23 1.96 0.00 0.00 0.00 179.25 181.89 1ire h GLN 201 N 0.43 0.57 -0.50 0.00 1.08 -1.77 0.11 115.11 115.03 1ire h GLN 201 Ca 0.10 -0.21 -0.11 0.00 -1.45 0.00 0.00 58.65 56.98 1ire h GLN 201 Cb 0.22 -0.03 -0.02 0.00 -0.05 0.00 0.00 27.48 27.60 1ire h GLN 201 CO 0.00 0.76 -0.10 1.49 -0.95 0.00 0.00 178.83 180.03 1ire h GLU 202 N 0.50 0.94 0.01 1.46 4.57 -1.68 0.97 114.58 121.36 1ire h GLU 202 Ca 0.07 -0.35 -0.15 0.00 -1.18 0.00 0.00 59.36 57.75 1ire h GLU 202 Cb 0.68 -0.06 0.01 0.00 -0.16 0.00 0.00 28.75 29.22 1ire h GLU 202 CO 0.05 1.02 -0.60 -0.07 -1.18 0.00 0.00 179.01 178.23 1ire h LEU 203 N 0.80 0.51 -1.18 1.64 3.38 -1.14 -3.39 115.31 115.93 1ire h LEU 203 Ca 0.13 -0.78 0.00 0.00 0.09 0.00 0.00 57.88 57.32 1ire h LEU 203 Cb 0.66 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 41.25 1ire h LEU 203 CO 0.05 1.22 -0.08 0.79 0.09 0.00 0.00 178.44 180.51 1ire n TRP 204 N -4.23 0.00 -4.23 1.13 7.02 0.37 -5.03 117.44 112.48 1ire n TRP 204 Ca -0.11 0.00 0.00 0.00 -1.02 0.00 0.00 57.50 56.37 1ire n TRP 204 Cb 0.68 0.00 0.00 0.00 -2.42 0.00 0.00 31.31 29.57 1ire n TRP 204 CO 0.00 0.00 0.00 0.41 -2.02 0.00 0.00 177.69 176.08 1ire n GLY 205 N 0.73 -0.17 0.32 6.99 0.00 0.34 -3.59 105.19 109.80 1ire n GLY 205 Ca 0.06 -1.02 0.17 0.00 0.00 0.00 0.00 46.02 45.23 1ire n GLY 205 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1ire h PRO 206 N 0.00 0.00 0.00 1.61 0.13 -1.93 -1.73 132.00 130.07 1ire h PRO 206 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.13 1ire h PRO 206 Cb 0.00 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.13 1ire h PRO 206 CO 0.00 0.00 0.00 0.39 -0.23 0.00 0.00 178.00 178.16 1ire n GLU 207 N -3.65 0.03 -2.29 0.86 4.71 -1.24 -4.84 120.64 114.22 1ire n GLU 207 Ca -0.02 0.14 -0.34 0.00 -0.01 0.00 0.00 57.16 56.94 1ire n GLU 207 Cb 0.16 -1.55 -0.01 0.00 -1.01 0.00 0.00 31.44 29.03 1ire n GLU 207 CO 0.00 0.00 0.00 0.20 0.09 0.00 0.00 177.13 177.42 1ire s GLY 208 N -3.08 2.36 0.14 0.62 0.00 -0.65 -4.97 107.32 101.73 1ire s GLY 208 Ca 0.10 0.54 -0.31 0.00 0.00 0.00 0.00 44.72 45.05 1ire s GLY 208 CO 0.42 0.86 1.72 -0.35 0.00 0.00 0.00 173.10 175.75 1ire s ASP 209 N -2.31 6.49 0.01 1.64 -1.08 -1.26 -4.73 116.67 115.43 1ire s ASP 209 Ca 0.66 2.69 0.08 0.00 -0.52 0.00 0.00 52.55 55.46 1ire s ASP 209 Cb -0.17 -2.58 0.36 0.00 -1.46 0.00 0.00 42.92 39.07 1ire s ASP 209 CO 0.28 -0.94 1.26 -0.81 0.52 0.00 0.00 175.17 175.49 1ire n PRO 210 N 4.99 0.01 -2.97 4.34 -0.04 -1.26 -3.34 135.00 136.72 1ire n PRO 210 Ca 0.16 0.37 -0.16 0.00 -0.04 0.00 0.00 63.50 63.83 1ire n PRO 210 Cb 0.38 -1.51 -0.01 0.00 -0.04 0.00 0.00 33.50 32.32 1ire n PRO 210 CO 0.00 0.00 0.00 -1.71 -0.04 0.00 0.00 175.50 173.75 1ire n ASN 211 N -1.52 1.51 -3.77 3.54 5.15 -1.26 -5.02 115.26 113.90 1ire n ASN 211 Ca 0.02 -3.01 -0.13 0.00 -0.60 0.00 0.00 54.58 50.86 1ire n ASN 211 Cb 0.09 -0.58 -0.08 0.00 -0.53 0.00 0.00 39.78 38.68 1ire n ASN 211 CO 0.00 0.00 0.00 -0.55 1.40 0.00 0.00 177.26 178.11 1ire s SER 212 N -2.79 -0.15 0.00 1.20 0.15 -1.21 -5.09 113.70 105.80 1ire s SER 212 Ca 0.37 -0.02 -0.05 0.00 0.70 0.00 0.00 55.95 56.95 1ire s SER 212 Cb 0.38 0.32 -0.00 0.00 -1.71 0.00 0.00 66.02 65.01 1ire s SER 212 CO -0.05 -0.49 0.08 -0.44 1.20 0.00 0.00 173.24 173.54 1ire s SER 213 N -1.56 0.06 -0.12 5.45 0.01 -1.26 -1.15 113.70 115.12 1ire s SER 213 Ca -0.11 -0.22 0.00 0.00 1.31 0.00 0.00 55.95 56.94 1ire s SER 213 Cb -0.04 0.18 -0.02 0.00 0.21 0.00 0.00 66.02 66.35 1ire s SER 213 CO 0.02 -0.29 -0.14 -0.69 0.41 0.00 0.00 173.24 172.55 1ire s VAL 214 N -1.15 3.01 -0.25 3.43 1.01 0.10 -4.91 120.40 121.64 1ire s VAL 214 Ca -0.12 -0.68 -0.11 0.00 0.00 0.00 0.00 61.98 61.07 1ire s VAL 214 Cb -0.07 -2.25 -0.05 0.00 0.00 0.00 0.00 36.38 34.01 1ire s VAL 214 CO 0.01 0.53 0.17 -0.31 0.00 0.00 0.00 175.10 175.50 1ire s TYR 215 N 0.26 3.29 -0.03 5.22 1.51 -1.26 -0.68 117.35 125.67 1ire s TYR 215 Ca -0.10 0.20 0.03 0.00 -1.01 0.00 0.00 57.07 56.19 1ire s TYR 215 Cb -0.16 -2.30 0.00 0.00 -0.11 0.00 0.00 41.96 39.40 1ire s TYR 215 CO 0.05 0.01 -0.09 -0.47 -1.11 0.00 0.00 175.55 173.94 1ire s TYR 216 N 1.24 0.98 -0.03 2.71 5.04 -0.23 -4.94 117.35 122.11 1ire s TYR 216 Ca 0.07 -0.24 -0.26 0.00 -2.44 0.00 0.00 57.07 54.20 1ire s TYR 216 Cb -0.14 -0.69 -0.04 0.00 0.35 0.00 0.00 41.96 41.44 1ire s TYR 216 CO 0.06 -0.10 0.80 -0.51 -1.34 0.00 0.00 175.55 174.46 1ire s ASP 217 N 0.19 7.14 -0.08 4.32 -0.00 -1.26 -0.73 116.67 126.25 1ire s ASP 217 Ca -0.03 1.37 0.02 0.00 -0.00 0.00 0.00 52.55 53.92 1ire s ASP 217 Cb -0.09 -2.47 0.01 0.00 -0.00 0.00 0.00 42.92 40.37 1ire s ASP 217 CO 0.01 -0.16 -0.15 0.00 -0.00 0.00 0.00 175.17 174.87 1ire s TRP 219 N 0.66 3.22 0.27 0.00 0.51 -1.26 -0.99 118.94 121.36 1ire s TRP 219 Ca -0.14 1.50 -0.04 0.00 -2.12 0.00 0.00 56.10 55.30 1ire s TRP 219 Cb -0.16 -2.90 0.55 0.00 -0.81 0.00 0.00 33.47 30.14 1ire s TRP 219 CO 0.04 -0.70 1.61 1.49 -0.51 0.00 0.00 176.95 178.87 1ire h GLU 220 N 0.79 0.06 0.00 4.98 4.81 -0.96 -0.46 114.58 123.81 1ire h GLU 220 Ca -0.47 -0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.76 1ire h GLU 220 Cb 1.20 -0.01 0.00 0.00 0.63 0.00 0.00 28.75 30.57 1ire h GLU 220 CO 0.60 0.04 0.00 -1.35 -0.73 0.00 0.00 179.01 177.57 1ire h PRO 221 N 0.07 0.00 0.00 0.92 0.11 -1.93 -2.79 132.00 128.37 1ire h PRO 221 Ca 0.48 0.00 -0.05 0.00 0.11 0.00 0.00 66.00 66.55 1ire h PRO 221 Cb 0.90 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.00 1ire h PRO 221 CO -0.79 0.00 -0.21 1.88 -0.21 0.00 0.00 178.00 178.67 1ire h TYR 222 N 0.00 0.00 -3.79 0.65 -1.99 -1.44 -3.46 116.97 106.94 1ire h TYR 222 Ca 0.00 0.00 -0.52 0.00 2.00 0.00 0.00 58.73 60.21 1ire h TYR 222 Cb 0.22 0.00 -0.21 0.00 2.00 0.00 0.00 36.73 38.74 1ire h TYR 222 CO 0.00 0.21 -0.80 0.96 -0.00 0.00 0.00 178.16 178.53 1ire s ILE 223 N -3.62 1.60 0.07 -2.88 -4.36 -1.06 0.35 121.20 111.31 1ire s ILE 223 Ca 0.01 -1.59 0.06 0.00 -0.26 0.00 0.00 60.65 58.87 1ire s ILE 223 Cb 0.10 -1.53 -0.03 0.00 1.25 0.00 0.00 42.46 42.25 1ire s ILE 223 CO 0.63 -0.16 -0.16 -1.83 0.24 0.00 0.00 174.94 173.66 1ire s GLU 224 N -2.11 0.95 0.32 0.37 -1.05 -0.76 -4.94 118.70 111.48 1ire s GLU 224 Ca 0.07 -0.94 -0.29 0.00 -0.15 0.00 0.00 54.97 53.66 1ire s GLU 224 Cb -0.09 -1.01 -0.10 0.00 -0.44 0.00 0.00 34.13 32.49 1ire s GLU 224 CO 0.04 0.24 1.26 -1.17 0.95 0.00 0.00 175.26 176.58 1ire s LEU 225 N -1.58 4.46 0.03 1.83 2.96 -1.26 -0.97 118.68 124.15 1ire s LEU 225 Ca 0.01 2.58 -0.04 0.00 -0.22 0.00 0.00 54.13 56.46 1ire s LEU 225 Cb -0.09 -3.64 -0.01 0.00 0.50 0.00 0.00 46.19 42.94 1ire s LEU 225 CO 0.02 -0.44 -0.08 0.52 -1.32 0.00 0.00 176.35 175.05 1ire n VAL 226 N 0.94 1.27 -3.87 1.68 0.31 0.67 -4.83 118.33 114.49 1ire n VAL 226 Ca -0.00 0.34 -0.19 0.00 -0.01 0.00 0.00 64.34 64.48 1ire n VAL 226 Cb 0.43 -1.76 -0.17 0.00 -0.91 0.00 0.00 33.84 31.43 1ire n VAL 226 CO 0.00 0.00 0.00 -1.81 -1.32 0.00 0.00 176.83 173.70 1ire s ASP 227 N -5.94 0.76 0.00 4.52 1.01 -0.84 -5.00 116.67 111.17 1ire s ASP 227 Ca -0.07 -0.02 0.18 0.00 0.71 0.00 0.00 52.55 53.34 1ire s ASP 227 Cb 0.01 -0.26 1.04 0.00 1.01 0.00 0.00 42.92 44.73 1ire s ASP 227 CO 0.10 -0.14 1.45 1.07 0.21 0.00 0.00 175.17 177.86