#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ypi s ARG 3 N 0.00 0.13 0.07 0.00 0.52 -1.26 -4.89 118.95 113.52 1ypi s ARG 3 Ca 0.00 0.42 -0.30 0.00 -0.52 0.00 0.00 55.73 55.33 1ypi s ARG 3 Cb 0.00 -0.69 -0.09 0.00 0.52 0.00 0.00 34.95 34.69 1ypi s ARG 3 CO 0.00 -0.47 1.81 0.99 0.02 0.00 0.00 175.30 177.65 1ypi s THR 4 N 2.33 2.89 0.05 0.02 2.01 -1.26 -4.89 115.64 116.79 1ypi s THR 4 Ca 0.04 0.20 -0.36 0.00 0.31 0.00 0.00 61.69 61.89 1ypi s THR 4 Cb -0.14 -3.13 -0.15 0.00 0.01 0.00 0.00 72.50 69.09 1ypi s THR 4 CO -0.09 -0.01 1.53 0.33 -0.69 0.00 0.00 174.62 175.69 1ypi n PHE 5 N 6.36 1.94 -5.10 4.92 7.35 -1.26 -4.82 117.46 126.84 1ypi n PHE 5 Ca 0.18 0.42 -0.30 0.00 -0.76 0.00 0.00 57.45 56.99 1ypi n PHE 5 Cb 0.40 -2.46 -0.16 0.00 0.35 0.00 0.00 39.48 37.60 1ypi n PHE 5 CO 0.00 0.00 0.00 0.12 -0.76 0.00 0.00 176.76 176.12 1ypi s PHE 6 N 1.40 2.22 -0.15 -5.13 2.19 -0.63 -1.16 117.98 116.72 1ypi s PHE 6 Ca 0.85 -0.73 0.00 0.00 0.33 0.00 0.00 56.93 57.39 1ypi s PHE 6 Cb -0.84 -1.48 0.02 0.00 -1.31 0.00 0.00 43.02 39.42 1ypi s PHE 6 CO 0.46 -0.25 -0.13 0.08 1.83 0.00 0.00 175.22 177.21 1ypi s VAL 7 N 0.05 1.53 0.10 3.12 1.01 0.85 -1.43 120.40 125.64 1ypi s VAL 7 Ca -0.08 -0.62 0.09 0.00 0.00 0.00 0.00 61.98 61.37 1ypi s VAL 7 Cb -0.14 -1.45 -0.04 0.00 0.00 0.00 0.00 36.38 34.75 1ypi s VAL 7 CO 0.04 0.44 -0.20 -0.83 0.00 0.00 0.00 175.10 174.55 1ypi s GLY 8 N 1.50 1.64 -0.30 4.51 0.00 0.12 -1.56 107.32 113.23 1ypi s GLY 8 Ca 0.05 -1.35 0.02 0.00 0.00 0.00 0.00 44.72 43.44 1ypi s GLY 8 CO -0.10 -1.31 0.03 -0.32 0.00 0.00 0.00 173.10 171.40 1ypi s GLY 9 N -1.97 1.55 -0.48 0.20 0.00 -0.48 -0.73 107.32 105.42 1ypi s GLY 9 Ca 0.16 -2.00 -0.21 0.00 0.00 0.00 0.00 44.72 42.67 1ypi s GLY 9 CO 0.08 1.09 0.71 0.21 0.00 0.00 0.00 173.10 175.20 1ypi s ASN 10 N 1.21 6.31 0.39 1.64 2.47 0.07 0.18 114.94 127.20 1ypi s ASN 10 Ca 0.06 -0.45 0.20 0.00 0.42 0.00 0.00 52.86 53.09 1ypi s ASN 10 Cb -0.19 -2.34 0.68 0.00 -1.45 0.00 0.00 41.25 37.95 1ypi s ASN 10 CO -0.12 -0.91 1.73 -0.26 -3.72 0.00 0.00 177.10 173.82 1ypi h PHE 11 N 9.00 0.00 0.00 0.43 -1.00 -1.72 -3.37 116.94 120.28 1ypi h PHE 11 Ca -0.26 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.52 1ypi h PHE 11 Cb 1.09 0.00 0.00 0.00 3.61 0.00 0.00 35.95 40.65 1ypi h PHE 11 CO 0.78 0.33 0.00 1.63 -1.61 0.00 0.00 178.31 179.44 1ypi n LYS 12 N -3.43 0.00 -2.65 1.51 5.02 -1.26 -3.30 118.16 114.05 1ypi n LYS 12 Ca 0.00 0.00 -0.43 0.00 -2.02 0.00 0.00 58.31 55.86 1ypi n LYS 12 Cb 0.51 0.00 0.01 0.00 -0.02 0.00 0.00 35.03 35.53 1ypi n LYS 12 CO 0.00 0.00 0.00 -0.11 -0.52 0.00 0.00 177.40 176.77 1ypi n LEU 13 N 0.00 6.49 -3.77 -0.35 7.94 -1.26 -4.30 117.00 121.75 1ypi n LEU 13 Ca 0.00 -4.88 -0.13 0.00 -1.11 0.00 0.00 56.01 49.89 1ypi n LEU 13 Cb 0.00 -1.40 -0.10 0.00 0.53 0.00 0.00 43.42 42.45 1ypi n LEU 13 CO 0.00 1.48 -0.01 0.20 -1.11 0.00 0.00 177.39 177.95 1ypi s ASN 14 N -0.11 -0.22 0.00 1.96 0.01 -1.21 -5.13 114.94 110.24 1ypi s ASN 14 Ca 0.36 0.26 0.00 0.00 -0.71 0.00 0.00 52.86 52.77 1ypi s ASN 14 Cb 0.07 0.43 0.00 0.00 0.41 0.00 0.00 41.25 42.15 1ypi s ASN 14 CO 0.04 -0.32 0.00 0.61 -1.51 0.00 0.00 177.10 175.92 1ypi n GLY 15 N 1.88 2.93 3.44 0.66 0.00 -1.26 -4.48 105.19 108.36 1ypi n GLY 15 Ca -0.19 -2.05 -0.10 0.00 0.00 0.00 0.00 46.02 43.69 1ypi n GLY 15 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1ypi s SER 16 N 0.00 -0.13 0.24 1.61 1.04 -1.26 -5.00 113.70 110.20 1ypi s SER 16 Ca 0.00 -0.64 -0.06 0.00 0.48 0.00 0.00 55.95 55.73 1ypi s SER 16 Cb 0.00 0.51 0.32 0.00 0.10 0.00 0.00 66.02 66.95 1ypi s SER 16 CO 0.00 -0.98 1.85 0.11 0.98 0.00 0.00 173.24 175.20 1ypi h LYS 17 N 2.35 0.91 -0.03 4.02 1.57 -2.00 -0.53 116.57 122.86 1ypi h LYS 17 Ca -0.30 -0.05 0.00 0.00 -1.87 0.00 0.00 60.65 58.42 1ypi h LYS 17 Cb 1.25 -0.20 -0.00 0.00 0.08 0.00 0.00 32.23 33.35 1ypi h LYS 17 CO 0.42 0.60 0.02 0.37 -0.57 0.00 0.00 179.45 180.29 1ypi h GLN 18 N 0.93 0.05 -0.30 3.15 4.15 -1.99 -1.92 115.11 119.18 1ypi h GLN 18 Ca 0.36 -0.00 -0.11 0.00 0.77 0.00 0.00 58.65 59.66 1ypi h GLN 18 Cb 0.17 -0.01 -0.01 0.00 0.21 0.00 0.00 27.48 27.84 1ypi h GLN 18 CO -0.17 0.06 -0.29 0.66 -1.93 0.00 0.00 178.83 177.16 1ypi h SER 19 N 0.02 0.63 -0.38 -0.69 4.64 -1.87 -2.80 113.55 113.10 1ypi h SER 19 Ca 0.01 -0.24 -0.08 0.00 -0.47 0.00 0.00 61.79 61.02 1ypi h SER 19 Cb 0.02 -0.17 -0.01 0.00 -0.31 0.00 0.00 62.40 61.93 1ypi h SER 19 CO -0.00 0.89 -0.07 0.40 -0.87 0.00 0.00 176.83 177.18 1ypi h ILE 20 N 0.53 1.27 -0.40 0.95 1.08 -1.14 -0.52 117.51 119.28 1ypi h ILE 20 Ca 0.07 -1.13 0.08 0.00 -0.39 0.00 0.00 64.86 63.49 1ypi h ILE 20 Cb 0.77 1.23 -0.09 0.00 -3.07 0.00 0.00 36.82 35.66 1ypi h ILE 20 CO 0.06 0.37 -0.35 0.50 -0.69 0.00 0.00 178.15 178.04 1ypi h LYS 21 N 0.52 -0.27 -0.32 2.37 3.11 -1.35 0.67 116.57 121.30 1ypi h LYS 21 Ca 0.10 0.02 0.01 0.00 -2.81 0.00 0.00 60.65 57.97 1ypi h LYS 21 Cb 0.57 0.06 -0.02 0.00 -1.00 0.00 0.00 32.23 31.84 1ypi h LYS 21 CO 0.03 -0.18 0.18 1.49 -2.81 0.00 0.00 179.45 178.17 1ypi h GLU 22 N -0.28 0.37 -0.18 1.90 4.81 -1.20 0.83 114.58 120.84 1ypi h GLU 22 Ca 0.16 -0.02 0.04 0.00 -0.13 0.00 0.00 59.36 59.41 1ypi h GLU 22 Cb 0.55 -0.08 -0.04 0.00 0.63 0.00 0.00 28.75 29.81 1ypi h GLU 22 CO -0.55 0.24 -0.09 0.82 -0.73 0.00 0.00 179.01 178.71 1ypi h ILE 23 N 0.38 0.72 -0.00 2.32 2.04 -0.34 -1.36 117.51 121.27 1ypi h ILE 23 Ca 0.13 0.00 -0.15 0.00 1.00 0.00 0.00 64.86 65.84 1ypi h ILE 23 Cb 0.01 0.72 -0.02 0.00 -0.74 0.00 0.00 36.82 36.79 1ypi h ILE 23 CO -0.07 0.00 -0.70 0.58 0.00 0.00 0.00 178.15 177.97 1ypi h VAL 24 N -0.07 1.50 0.00 1.67 2.07 0.76 -2.94 116.25 119.25 1ypi h VAL 24 Ca 0.10 -2.39 -0.12 0.00 0.82 0.00 0.00 66.70 65.11 1ypi h VAL 24 Cb 0.22 2.29 -0.02 0.00 -1.52 0.00 0.00 31.29 32.26 1ypi h VAL 24 CO -0.22 0.68 -0.57 -0.08 0.02 0.00 0.00 177.57 177.40 1ypi h GLU 25 N 0.00 0.00 -0.13 1.57 4.57 0.11 -2.74 114.58 117.96 1ypi h GLU 25 Ca -0.01 0.00 -0.02 0.00 -1.18 0.00 0.00 59.36 58.15 1ypi h GLU 25 Cb 1.23 0.00 -0.00 0.00 -0.16 0.00 0.00 28.75 29.82 1ypi h GLU 25 CO 0.09 0.57 -0.01 -0.09 -1.18 0.00 0.00 179.01 178.40 1ypi h ARG 26 N 0.00 0.23 0.00 1.92 2.43 -1.20 -3.03 114.38 114.73 1ypi h ARG 26 Ca -0.01 -0.08 0.00 0.00 -0.81 0.00 0.00 59.98 59.09 1ypi h ARG 26 Cb 1.04 -0.02 0.00 0.00 -0.42 0.00 0.00 29.97 30.57 1ypi h ARG 26 CO 0.07 0.49 0.00 1.28 -1.51 0.00 0.00 179.97 180.30 1ypi n LEU 27 N -4.77 0.00 0.00 3.80 4.77 -1.03 -1.33 117.00 118.44 1ypi n LEU 27 Ca -0.06 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.92 1ypi n LEU 27 Cb 0.22 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.31 1ypi n LEU 27 CO 0.36 -0.89 0.00 0.59 -1.33 0.00 0.00 177.39 176.12 1ypi n ASN 28 N -2.37 0.00 0.05 -1.43 3.02 -1.25 -4.14 115.26 109.15 1ypi n ASN 28 Ca 0.00 0.00 0.04 0.00 -0.03 0.00 0.00 54.58 54.59 1ypi n ASN 28 Cb 0.00 0.00 -0.06 0.00 -0.61 0.00 0.00 39.78 39.11 1ypi n ASN 28 CO 0.00 0.00 0.00 0.41 -2.62 0.00 0.00 177.26 175.05 1ypi n THR 29 N 0.00 1.00 -2.14 3.41 -1.04 -1.10 -4.90 114.28 109.52 1ypi n THR 29 Ca 0.00 -0.65 -0.28 0.00 -2.04 0.00 0.00 64.05 61.08 1ypi n THR 29 Cb 0.00 -0.61 0.04 0.00 -1.82 0.00 0.00 70.33 67.94 1ypi n THR 29 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1ypi s ALA 30 N -3.07 3.09 -0.33 2.41 0.00 -0.44 -5.05 121.76 118.37 1ypi s ALA 30 Ca -0.02 -0.55 -0.19 0.00 0.00 0.00 0.00 51.96 51.20 1ypi s ALA 30 Cb 0.09 -2.80 -0.01 0.00 0.00 0.00 0.00 23.12 20.40 1ypi s ALA 30 CO 0.81 -1.01 0.54 -1.12 0.00 0.00 0.00 175.76 174.98 1ypi s SER 31 N -4.35 6.37 -0.02 0.00 0.01 -1.26 -5.02 113.70 109.43 1ypi s SER 31 Ca 0.56 0.14 0.01 0.00 1.31 0.00 0.00 55.95 57.97 1ypi s SER 31 Cb -0.11 -2.29 0.01 0.00 0.21 0.00 0.00 66.02 63.85 1ypi s SER 31 CO 0.48 -0.47 -0.03 0.27 0.41 0.00 0.00 173.24 173.91 1ypi s ILE 32 N 2.45 0.33 0.95 1.44 -4.36 -1.26 -4.94 121.20 115.81 1ypi s ILE 32 Ca 0.21 -0.09 -0.13 0.00 -0.26 0.00 0.00 60.65 60.37 1ypi s ILE 32 Cb -0.15 -0.34 0.01 0.00 1.25 0.00 0.00 42.46 43.23 1ypi s ILE 32 CO 0.13 0.14 0.25 -2.65 0.24 0.00 0.00 174.94 173.04 1ypi n PRO 33 N 3.52 -0.23 -3.78 0.37 -0.02 -1.26 -4.95 135.00 128.65 1ypi n PRO 33 Ca -0.20 -0.03 -0.37 0.00 -2.02 0.00 0.00 63.50 60.88 1ypi n PRO 33 Cb 0.54 -1.74 -0.13 0.00 -0.02 0.00 0.00 33.50 32.16 1ypi n PRO 33 CO 0.00 0.00 0.00 -1.83 1.98 0.00 0.00 175.50 175.65 1ypi s GLU 34 N -3.39 2.70 0.00 -0.52 1.03 -1.26 -4.16 118.70 113.10 1ypi s GLU 34 Ca 0.55 -1.11 0.00 0.00 0.03 0.00 0.00 54.97 54.43 1ypi s GLU 34 Cb -0.21 -3.39 0.00 0.00 -0.80 0.00 0.00 34.13 29.73 1ypi s GLU 34 CO 0.69 -0.60 0.00 0.27 -1.33 0.00 0.00 175.26 174.29 1ypi n ASN 35 N 4.79 0.00 -4.17 0.83 0.23 -1.26 -5.14 115.26 110.55 1ypi n ASN 35 Ca -0.13 0.00 -0.17 0.00 -0.53 0.00 0.00 54.58 53.75 1ypi n ASN 35 Cb 0.45 0.00 -0.11 0.00 -2.08 0.00 0.00 39.78 38.04 1ypi n ASN 35 CO 0.00 0.00 0.00 0.54 -0.93 0.00 0.00 177.26 176.87 1ypi s VAL 36 N -0.51 1.02 -0.24 3.53 0.11 -1.26 -4.25 120.40 118.79 1ypi s VAL 36 Ca 0.00 -1.42 0.02 0.00 -2.93 0.00 0.00 61.98 57.65 1ypi s VAL 36 Cb 0.00 -1.15 0.05 0.00 -1.53 0.00 0.00 36.38 33.75 1ypi s VAL 36 CO 0.00 -0.36 -0.12 -0.70 -3.33 0.00 0.00 175.10 170.59 1ypi s GLU 37 N -2.12 2.32 -0.06 1.54 2.12 -0.31 -4.81 118.70 117.39 1ypi s GLU 37 Ca 0.00 -1.22 0.03 0.00 0.36 0.00 0.00 54.97 54.15 1ypi s GLU 37 Cb -0.07 -2.79 -0.02 0.00 0.26 0.00 0.00 34.13 31.50 1ypi s GLU 37 CO 0.02 -0.50 -0.15 0.14 -0.54 0.00 0.00 175.26 174.23 1ypi s VAL 38 N 1.16 3.01 -0.04 3.70 -7.23 0.23 -0.10 120.40 121.13 1ypi s VAL 38 Ca -0.06 -0.74 0.02 0.00 -1.81 0.00 0.00 61.98 59.39 1ypi s VAL 38 Cb -0.19 -2.18 0.01 0.00 0.56 0.00 0.00 36.38 34.59 1ypi s VAL 38 CO -0.07 0.59 -0.06 0.54 -0.31 0.00 0.00 175.10 175.79 1ypi s VAL 39 N -0.63 0.63 -0.05 1.32 0.11 -0.60 -1.10 120.40 120.07 1ypi s VAL 39 Ca 0.09 -0.22 0.03 0.00 -2.93 0.00 0.00 61.98 58.95 1ypi s VAL 39 Cb -0.11 -0.60 -0.03 0.00 -1.53 0.00 0.00 36.38 34.11 1ypi s VAL 39 CO 0.01 0.23 -0.11 0.27 -3.33 0.00 0.00 175.10 172.16 1ypi s ILE 40 N 0.58 3.32 -0.35 7.04 -4.36 1.00 -1.38 121.20 127.06 1ypi s ILE 40 Ca -0.08 -0.64 0.00 0.00 -0.26 0.00 0.00 60.65 59.67 1ypi s ILE 40 Cb -0.12 -2.33 0.11 0.00 1.25 0.00 0.00 42.46 41.37 1ypi s ILE 40 CO 0.01 0.58 0.13 0.00 0.24 0.00 0.00 174.94 175.90 1ypi s PRO 42 N 1.23 2.51 0.90 0.00 0.04 -1.25 -2.19 135.00 136.23 1ypi s PRO 42 Ca 0.12 -0.67 -0.13 0.00 0.04 0.00 0.00 61.00 60.37 1ypi s PRO 42 Cb -0.19 -2.43 0.06 0.00 0.04 0.00 0.00 34.50 31.97 1ypi s PRO 42 CO -0.17 -0.79 0.68 -2.30 0.04 0.00 0.00 177.00 174.46 1ypi n PRO 43 N -2.44 -0.21 0.08 0.56 -0.02 -1.26 -4.57 135.00 127.14 1ypi n PRO 43 Ca 0.08 -0.01 0.03 0.00 -2.02 0.00 0.00 63.50 61.59 1ypi n PRO 43 Cb 0.60 -2.04 0.43 0.00 -0.02 0.00 0.00 33.50 32.47 1ypi n PRO 43 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1ypi h ALA 44 N -1.42 1.64 -0.18 3.55 0.00 -1.95 -2.11 119.26 118.79 1ypi h ALA 44 Ca -0.44 -0.10 0.05 0.00 0.00 0.00 0.00 54.91 54.42 1ypi h ALA 44 Cb 1.29 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.96 1ypi h ALA 44 CO 0.38 0.28 0.19 1.15 0.00 0.00 0.00 179.25 181.25 1ypi h THR 45 N 0.37 0.50 -0.15 0.00 2.02 -2.03 -2.77 112.91 110.84 1ypi h THR 45 Ca 0.09 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.27 1ypi h THR 45 Cb 0.13 0.85 0.00 0.00 -1.74 0.00 0.00 68.15 67.39 1ypi h THR 45 CO -0.01 0.00 0.00 -1.22 0.37 0.00 0.00 175.52 174.66 1ypi n TYR 46 N -3.85 0.42 0.25 3.16 4.02 -0.79 -4.79 117.16 115.57 1ypi n TYR 46 Ca 0.01 -0.80 -0.12 0.00 -0.01 0.00 0.00 57.90 56.99 1ypi n TYR 46 Cb 0.31 -0.17 -0.06 0.00 -0.02 0.00 0.00 39.34 39.40 1ypi n TYR 46 CO 0.00 0.00 0.00 -0.07 -1.01 0.00 0.00 176.86 175.78 1ypi h LEU 47 N 0.99 -0.57 -0.20 7.72 3.38 -1.55 0.66 115.31 125.74 1ypi h LEU 47 Ca 0.00 -0.05 0.03 0.00 0.09 0.00 0.00 57.88 57.95 1ypi h LEU 47 Cb 1.04 0.15 -0.05 0.00 0.09 0.00 0.00 40.66 41.88 1ypi h LEU 47 CO 0.08 -0.16 -0.41 -0.78 0.09 0.00 0.00 178.44 177.26 1ypi h ASP 48 N -1.08 -1.32 -0.52 -0.43 -0.00 -1.84 -1.27 116.42 109.96 1ypi h ASP 48 Ca -0.07 0.16 0.10 0.00 -0.00 0.00 0.00 57.03 57.23 1ypi h ASP 48 Cb 0.58 0.53 -0.10 0.00 -0.00 0.00 0.00 39.33 40.34 1ypi h ASP 48 CO 0.11 -0.33 -0.19 0.22 -0.00 0.00 0.00 179.24 179.05 1ypi h TYR 49 N -0.36 -0.47 -0.58 0.28 5.03 -1.88 -0.96 116.97 118.03 1ypi h TYR 49 Ca 0.04 0.05 0.00 0.00 2.58 0.00 0.00 58.73 61.40 1ypi h TYR 49 Cb 0.47 0.29 -0.03 0.00 1.55 0.00 0.00 36.73 39.01 1ypi h TYR 49 CO -0.62 -0.28 0.37 0.77 -1.32 0.00 0.00 178.16 177.08 1ypi h SER 50 N -0.07 0.69 -0.19 -2.11 0.02 -0.36 -2.60 113.55 108.92 1ypi h SER 50 Ca 0.24 -0.04 0.05 0.00 -0.84 0.00 0.00 61.79 61.21 1ypi h SER 50 Cb 0.45 -0.17 -0.06 0.00 0.14 0.00 0.00 62.40 62.76 1ypi h SER 50 CO -0.57 0.52 -0.22 0.58 -1.14 0.00 0.00 176.83 175.99 1ypi h VAL 51 N 0.79 0.44 -0.93 2.27 2.07 -0.14 -2.11 116.25 118.64 1ypi h VAL 51 Ca 0.21 0.00 0.17 0.00 0.82 0.00 0.00 66.70 67.90 1ypi h VAL 51 Cb -0.06 0.44 -0.16 0.00 -1.52 0.00 0.00 31.29 29.99 1ypi h VAL 51 CO -0.04 0.00 -0.29 -1.20 0.02 0.00 0.00 177.57 176.05 1ypi n SER 52 N -5.36 -0.46 0.15 0.57 7.64 -0.47 -2.54 113.62 113.15 1ypi n SER 52 Ca -0.02 1.61 0.01 0.00 1.01 0.00 0.00 58.87 61.48 1ypi n SER 52 Cb 0.28 -0.43 0.16 0.00 -1.01 0.00 0.00 64.21 63.21 1ypi n SER 52 CO 0.00 0.00 0.00 -0.07 -3.01 0.00 0.00 175.04 171.96 1ypi h LEU 53 N 0.00 0.00 -9.80 -3.43 -0.00 -1.16 -3.46 115.31 97.46 1ypi h LEU 53 Ca 0.39 0.00 -0.52 0.00 -0.00 0.00 0.00 57.88 57.75 1ypi h LEU 53 Cb 0.62 0.00 0.04 0.00 -0.00 0.00 0.00 40.66 41.32 1ypi h LEU 53 CO -0.94 0.56 0.60 -0.69 -0.00 0.00 0.00 178.44 177.97 1ypi s VAL 54 N -3.34 3.07 0.00 1.22 1.01 -0.98 -4.88 120.40 116.50 1ypi s VAL 54 Ca 0.01 1.01 0.00 0.00 0.00 0.00 0.00 61.98 63.00 1ypi s VAL 54 Cb 0.11 -3.64 0.00 0.00 0.00 0.00 0.00 36.38 32.84 1ypi s VAL 54 CO 0.74 0.21 0.09 0.29 0.00 0.00 0.00 175.10 176.43 1ypi n LYS 55 N 1.49 1.88 -3.83 2.72 4.01 -1.26 -5.03 118.16 118.13 1ypi n LYS 55 Ca 0.02 -0.09 -0.35 0.00 -0.51 0.00 0.00 58.31 57.38 1ypi n LYS 55 Cb 0.43 -0.42 -0.08 0.00 -0.51 0.00 0.00 35.03 34.44 1ypi n LYS 55 CO 0.00 0.00 0.00 0.15 -1.11 0.00 0.00 177.40 176.44 1ypi s LYS 56 N -0.29 4.05 0.60 1.97 -0.14 -1.26 -4.97 119.74 119.70 1ypi s LYS 56 Ca 0.00 -0.25 0.29 0.00 -1.36 0.00 0.00 55.97 54.65 1ypi s LYS 56 Cb 0.00 -3.33 1.53 0.00 -1.68 0.00 0.00 37.83 34.35 1ypi s LYS 56 CO 0.00 0.34 1.94 -1.35 -0.76 0.00 0.00 175.35 175.51 1ypi h PRO 57 N 6.52 0.00 0.00 -1.68 0.11 -2.01 -2.23 132.00 132.71 1ypi h PRO 57 Ca -0.41 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.70 1ypi h PRO 57 Cb 1.16 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.27 1ypi h PRO 57 CO 0.73 0.00 0.00 1.04 -0.21 0.00 0.00 178.00 179.56 1ypi n GLN 58 N -3.61 0.13 -5.13 1.05 3.00 -1.26 -4.85 117.38 106.70 1ypi n GLN 58 Ca 0.05 0.13 -0.30 0.00 -0.01 0.00 0.00 57.00 56.87 1ypi n GLN 58 Cb 0.56 -1.66 -0.15 0.00 0.00 0.00 0.00 30.24 28.99 1ypi n GLN 58 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.06 177.60 1ypi s VAL 59 N -3.06 2.06 0.30 5.09 0.11 -0.84 -0.60 120.40 123.45 1ypi s VAL 59 Ca 0.12 -1.21 0.02 0.00 -2.93 0.00 0.00 61.98 57.98 1ypi s VAL 59 Cb 0.15 -1.73 -0.05 0.00 -1.53 0.00 0.00 36.38 33.22 1ypi s VAL 59 CO 0.54 0.49 0.12 0.42 -3.33 0.00 0.00 175.10 173.33 1ypi s THR 60 N -0.68 0.55 0.14 5.04 -4.23 -0.26 -4.84 115.64 111.36 1ypi s THR 60 Ca 0.11 -2.00 0.09 0.00 -1.18 0.00 0.00 61.69 58.70 1ypi s THR 60 Cb -0.10 -2.58 -0.04 0.00 1.34 0.00 0.00 72.50 71.12 1ypi s THR 60 CO 0.00 0.00 -0.20 0.54 -0.54 0.00 0.00 174.62 174.42 1ypi s VAL 61 N -3.60 1.83 0.21 2.29 0.11 -1.26 -0.00 120.40 119.98 1ypi s VAL 61 Ca 0.36 -1.76 -0.05 0.00 -2.93 0.00 0.00 61.98 57.60 1ypi s VAL 61 Cb 0.06 -1.75 -0.03 0.00 -1.53 0.00 0.00 36.38 33.14 1ypi s VAL 61 CO 0.15 -0.18 0.23 -0.83 -3.33 0.00 0.00 175.10 171.14 1ypi s GLY 62 N -2.32 1.12 0.28 6.54 0.00 -0.35 -1.70 107.32 110.88 1ypi s GLY 62 Ca 0.12 -1.42 0.03 0.00 0.00 0.00 0.00 44.72 43.45 1ypi s GLY 62 CO 0.06 -1.16 0.44 0.00 0.00 0.00 0.00 173.10 172.44 1ypi s ALA 63 N -4.11 3.83 -2.65 3.20 0.00 -0.11 -3.90 121.76 118.03 1ypi s ALA 63 Ca 0.33 -1.07 0.25 0.00 0.00 0.00 0.00 51.96 51.47 1ypi s ALA 63 Cb 0.05 -1.90 0.66 0.00 0.00 0.00 0.00 23.12 21.92 1ypi s ALA 63 CO 0.10 0.15 1.52 1.04 0.00 0.00 0.00 175.76 178.57 1ypi n GLN 64 N -1.52 1.98 0.00 0.00 6.02 -1.26 -1.63 117.38 120.97 1ypi n GLN 64 Ca -0.07 -1.44 0.00 0.00 -0.01 0.00 0.00 57.00 55.48 1ypi n GLN 64 Cb 0.56 -1.47 0.00 0.00 1.02 0.00 0.00 30.24 30.36 1ypi n GLN 64 CO 0.00 0.00 0.00 -1.71 -1.01 0.00 0.00 177.06 174.34 1ypi n ASN 65 N 0.72 0.00 -3.62 1.08 4.05 -1.22 -4.55 115.26 111.73 1ypi n ASN 65 Ca 0.17 0.00 -0.07 0.00 0.45 0.00 0.00 54.58 55.13 1ypi n ASN 65 Cb 0.46 0.00 -0.02 0.00 1.23 0.00 0.00 39.78 41.45 1ypi n ASN 65 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 177.26 174.21 1ypi s ALA 66 N -2.00 -1.63 0.67 5.20 0.00 -1.26 -4.78 121.76 117.95 1ypi s ALA 66 Ca 0.00 0.43 0.05 0.00 0.00 0.00 0.00 51.96 52.44 1ypi s ALA 66 Cb 0.00 0.65 0.12 0.00 0.00 0.00 0.00 23.12 23.89 1ypi s ALA 66 CO 0.00 -0.87 0.92 -0.47 0.00 0.00 0.00 175.76 175.34 1ypi s TYR 67 N -3.42 1.21 -1.72 0.00 5.04 -0.75 -4.92 117.35 112.78 1ypi s TYR 67 Ca 0.07 -0.60 0.20 0.00 -2.44 0.00 0.00 57.07 54.30 1ypi s TYR 67 Cb -0.02 -2.55 0.64 0.00 0.35 0.00 0.00 41.96 40.38 1ypi s TYR 67 CO -0.04 -1.55 1.54 1.47 -1.34 0.00 0.00 175.55 175.63 1ypi n LEU 68 N -2.58 4.01 -4.23 6.97 -0.00 -1.26 -4.68 117.00 115.22 1ypi n LEU 68 Ca 0.17 -2.01 -0.21 0.00 -0.00 0.00 0.00 56.01 53.96 1ypi n LEU 68 Cb 0.61 -0.50 -0.12 0.00 -0.00 0.00 0.00 43.42 43.41 1ypi n LEU 68 CO 0.41 0.88 -0.48 -0.54 -0.00 0.00 0.00 177.39 177.65 1ypi s LYS 69 N -1.33 0.98 0.08 1.47 -0.14 -1.26 -4.89 119.74 114.64 1ypi s LYS 69 Ca 0.47 -1.09 -0.10 0.00 -1.36 0.00 0.00 55.97 53.89 1ypi s LYS 69 Cb 0.27 -1.08 -0.24 0.00 -1.68 0.00 0.00 37.83 35.09 1ypi s LYS 69 CO 0.29 0.24 1.16 0.00 -0.76 0.00 0.00 175.35 176.28 1ypi h ALA 70 N 4.07 0.10 -2.81 5.17 0.00 -1.98 -3.41 119.26 120.40 1ypi h ALA 70 Ca -0.43 -0.78 -0.06 0.00 0.00 0.00 0.00 54.91 53.65 1ypi h ALA 70 Cb 1.19 0.06 -0.10 0.00 0.00 0.00 0.00 17.79 18.94 1ypi h ALA 70 CO 0.42 0.77 -0.12 -1.54 0.00 0.00 0.00 179.25 178.77 1ypi s SER 71 N -7.30 -0.10 0.00 0.00 1.04 -1.26 -4.67 113.70 101.42 1ypi s SER 71 Ca -0.08 -0.86 0.00 0.00 0.48 0.00 0.00 55.95 55.50 1ypi s SER 71 Cb 0.07 0.57 0.00 0.00 0.10 0.00 0.00 66.02 66.75 1ypi s SER 71 CO 0.91 -1.10 0.00 0.61 0.98 0.00 0.00 173.24 174.64 1ypi n GLY 72 N -0.36 0.69 2.61 7.32 0.00 -1.26 -4.89 105.19 109.31 1ypi n GLY 72 Ca -0.03 -2.09 -0.41 0.00 0.00 0.00 0.00 46.02 43.48 1ypi n GLY 72 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ypi n ALA 73 N -1.00 6.21 -3.29 4.61 0.00 -1.26 -4.73 120.51 121.04 1ypi n ALA 73 Ca 0.00 -3.89 -0.26 0.00 0.00 0.00 0.00 53.44 49.29 1ypi n ALA 73 Cb 0.00 -3.30 -0.07 0.00 0.00 0.00 0.00 19.45 16.08 1ypi n ALA 73 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 1ypi n PHE 74 N 4.50 2.15 -1.68 0.00 3.72 -1.26 -5.10 117.46 119.79 1ypi n PHE 74 Ca 0.58 -3.93 -0.46 0.00 -0.05 0.00 0.00 57.45 53.59 1ypi n PHE 74 Cb 0.33 -0.48 -0.04 0.00 -0.94 0.00 0.00 39.48 38.35 1ypi n PHE 74 CO 0.00 0.00 0.00 2.41 -0.05 0.00 0.00 176.76 179.12 1ypi n THR 75 N 0.92 0.35 -0.26 4.37 -1.04 -1.26 -2.11 114.28 115.26 1ypi n THR 75 Ca 0.27 -0.06 0.00 0.00 -2.04 0.00 0.00 64.05 62.21 1ypi n THR 75 Cb 0.46 -1.81 0.00 0.00 -1.82 0.00 0.00 70.33 67.16 1ypi n THR 75 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1ypi n GLY 76 N 4.03 0.63 3.97 3.41 0.00 -1.26 -5.08 105.19 110.89 1ypi n GLY 76 Ca 0.20 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.98 1ypi n GLY 76 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1ypi s GLU 77 N -0.74 1.99 -0.07 1.61 0.41 -0.90 -5.09 118.70 115.92 1ypi s GLU 77 Ca 0.00 -0.78 -0.01 0.00 -0.41 0.00 0.00 54.97 53.77 1ypi s GLU 77 Cb 0.00 -2.31 -0.03 0.00 -1.78 0.00 0.00 34.13 30.00 1ypi s GLU 77 CO 0.00 -1.24 -0.02 -0.80 -0.49 0.00 0.00 175.26 172.71 1ypi s ASN 78 N -4.60 5.06 0.15 -0.19 0.02 -1.26 -5.01 114.94 109.10 1ypi s ASN 78 Ca 0.63 0.07 0.08 0.00 -1.02 0.00 0.00 52.86 52.62 1ypi s ASN 78 Cb -0.08 -1.37 -0.04 0.00 0.02 0.00 0.00 41.25 39.78 1ypi s ASN 78 CO 0.43 0.36 -0.06 -0.55 0.02 0.00 0.00 177.10 177.30 1ypi s SER 79 N -0.99 4.53 0.40 -1.22 0.15 -1.26 -1.82 113.70 113.49 1ypi s SER 79 Ca 0.14 -0.43 0.22 0.00 0.70 0.00 0.00 55.95 56.58 1ypi s SER 79 Cb -0.11 -0.89 0.63 0.00 -1.71 0.00 0.00 66.02 63.94 1ypi s SER 79 CO 0.03 0.12 1.70 -0.37 1.20 0.00 0.00 173.24 175.93 1ypi h VAL 80 N 2.79 0.57 -0.76 4.45 -1.51 -1.83 -2.90 116.25 117.07 1ypi h VAL 80 Ca -0.47 -1.40 -0.04 0.00 -1.23 0.00 0.00 66.70 63.55 1ypi h VAL 80 Cb 1.19 1.97 -0.03 0.00 -2.13 0.00 0.00 31.29 32.29 1ypi h VAL 80 CO 0.55 0.27 0.33 0.44 -1.23 0.00 0.00 177.57 177.93 1ypi h ASP 81 N 0.00 1.03 0.15 4.19 3.45 -1.93 -2.18 116.42 121.13 1ypi h ASP 81 Ca -0.00 -0.16 -0.25 0.00 0.43 0.00 0.00 57.03 57.05 1ypi h ASP 81 Cb 0.95 -0.27 0.01 0.00 -0.56 0.00 0.00 39.33 39.46 1ypi h ASP 81 CO 0.04 0.91 -1.00 1.56 -1.57 0.00 0.00 179.24 179.17 1ypi h GLN 82 N 1.09 0.58 -0.04 3.56 4.20 -1.87 -2.35 115.11 120.28 1ypi h GLN 82 Ca 0.26 -0.62 -0.08 0.00 0.06 0.00 0.00 58.65 58.26 1ypi h GLN 82 Cb 0.18 0.18 -0.01 0.00 0.30 0.00 0.00 27.48 28.12 1ypi h GLN 82 CO -0.03 1.23 -0.36 0.82 -0.67 0.00 0.00 178.83 179.83 1ypi h ILE 83 N 0.32 1.27 0.01 2.54 2.04 -1.37 -2.65 117.51 119.68 1ypi h ILE 83 Ca -0.11 -1.29 -0.26 0.00 1.00 0.00 0.00 64.86 64.19 1ypi h ILE 83 Cb 1.65 1.65 -0.04 0.00 -0.74 0.00 0.00 36.82 39.33 1ypi h ILE 83 CO 0.19 0.38 -1.45 0.11 0.00 0.00 0.00 178.15 177.38 1ypi h LYS 84 N 0.07 0.02 -0.68 2.37 1.57 -1.42 0.11 116.57 118.60 1ypi h LYS 84 Ca 0.01 -0.03 0.03 0.00 -1.87 0.00 0.00 60.65 58.79 1ypi h LYS 84 Cb 0.67 0.01 -0.04 0.00 0.08 0.00 0.00 32.23 32.96 1ypi h LYS 84 CO 0.05 0.72 0.45 0.22 -0.57 0.00 0.00 179.45 180.32 1ypi h ASP 85 N 0.01 0.71 -0.66 0.86 3.58 -1.12 0.16 116.42 119.95 1ypi h ASP 85 Ca -0.19 -0.01 0.00 0.00 0.42 0.00 0.00 57.03 57.26 1ypi h ASP 85 Cb 1.93 -0.16 0.00 0.00 1.72 0.00 0.00 39.33 42.81 1ypi h ASP 85 CO 0.10 0.49 0.00 1.33 -2.88 0.00 0.00 179.24 178.28 1ypi n VAL 86 N -4.46 1.45 -0.56 2.25 0.24 -1.03 -4.95 118.33 111.27 1ypi n VAL 86 Ca 0.08 -1.12 0.00 0.00 -2.04 0.00 0.00 64.34 61.26 1ypi n VAL 86 Cb 0.13 0.30 0.00 0.00 -1.47 0.00 0.00 33.84 32.79 1ypi n VAL 86 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1ypi n GLY 87 N 1.27 0.71 3.83 7.63 0.00 0.54 -4.69 105.19 114.48 1ypi n GLY 87 Ca 0.24 -0.08 -0.33 0.00 0.00 0.00 0.00 46.02 45.85 1ypi n GLY 87 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ypi s ALA 88 N -2.00 3.10 0.00 4.61 0.00 0.38 -4.80 121.76 123.06 1ypi s ALA 88 Ca 0.00 0.28 0.00 0.00 0.00 0.00 0.00 51.96 52.24 1ypi s ALA 88 Cb 0.00 -3.07 0.00 0.00 0.00 0.00 0.00 23.12 20.05 1ypi s ALA 88 CO 0.00 0.10 0.08 1.63 0.00 0.00 0.00 175.76 177.57 1ypi n LYS 89 N -0.77 5.02 -4.23 0.00 4.76 -0.69 -4.06 118.16 118.19 1ypi n LYS 89 Ca 0.06 -0.08 -0.17 0.00 -2.87 0.00 0.00 58.31 55.25 1ypi n LYS 89 Cb 0.54 -0.53 -0.11 0.00 -1.84 0.00 0.00 35.03 33.09 1ypi n LYS 89 CO 0.00 0.00 0.00 -1.58 -1.37 0.00 0.00 177.40 174.45 1ypi s TRP 90 N -0.74 1.34 -0.01 2.13 0.52 -1.23 -0.29 118.94 120.66 1ypi s TRP 90 Ca 0.00 -0.59 -0.01 0.00 0.02 0.00 0.00 56.10 55.52 1ypi s TRP 90 Cb 0.00 -0.70 0.00 0.00 -1.15 0.00 0.00 33.47 31.62 1ypi s TRP 90 CO 0.00 0.12 0.02 0.08 0.02 0.00 0.00 176.95 177.19 1ypi s VAL 91 N -2.33 0.00 -0.17 4.03 1.01 0.11 -0.93 120.40 122.11 1ypi s VAL 91 Ca 0.09 -0.02 -0.06 0.00 0.00 0.00 0.00 61.98 61.99 1ypi s VAL 91 Cb -0.04 -0.04 -0.04 0.00 0.00 0.00 0.00 36.38 36.27 1ypi s VAL 91 CO 0.02 -0.01 0.02 0.27 0.00 0.00 0.00 175.10 175.41 1ypi s ILE 92 N -0.02 4.43 -0.03 2.22 -4.36 -0.65 -0.03 121.20 122.77 1ypi s ILE 92 Ca -0.00 -0.16 0.05 0.00 -0.26 0.00 0.00 60.65 60.27 1ypi s ILE 92 Cb -0.00 -2.98 -0.01 0.00 1.25 0.00 0.00 42.46 40.72 1ypi s ILE 92 CO 0.00 0.47 -0.17 -0.76 0.24 0.00 0.00 174.94 174.72 1ypi s LEU 93 N 0.39 1.97 -0.07 0.37 1.02 0.16 -3.41 118.68 119.11 1ypi s LEU 93 Ca 0.00 -0.33 0.00 0.00 0.02 0.00 0.00 54.13 53.83 1ypi s LEU 93 Cb -0.13 -0.91 0.00 0.00 0.02 0.00 0.00 46.19 45.16 1ypi s LEU 93 CO 0.01 0.18 0.00 0.61 0.02 0.00 0.00 176.35 177.17 1ypi n GLY 94 N 2.89 0.44 3.76 -3.19 0.00 -1.26 -0.50 105.19 107.32 1ypi n GLY 94 Ca -0.16 -1.01 -0.39 0.00 0.00 0.00 0.00 46.02 44.45 1ypi n GLY 94 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 1ypi s HIS 95 N -2.02 2.39 0.49 1.61 5.04 -1.26 -4.27 115.29 117.26 1ypi s HIS 95 Ca 0.00 1.29 0.31 0.00 -1.54 0.00 0.00 55.06 55.12 1ypi s HIS 95 Cb 0.00 -3.90 1.41 0.00 0.04 0.00 0.00 32.58 30.14 1ypi s HIS 95 CO 0.00 -2.97 1.76 0.66 -2.34 0.00 0.00 174.74 171.85 1ypi h SER 96 N 2.05 0.16 1.51 9.88 4.64 -1.95 0.19 113.55 130.04 1ypi h SER 96 Ca -0.51 0.04 0.00 0.00 -0.47 0.00 0.00 61.79 60.85 1ypi h SER 96 Cb 1.28 0.02 0.00 0.00 -0.31 0.00 0.00 62.40 63.38 1ypi h SER 96 CO 0.60 0.01 0.00 -0.33 -0.87 0.00 0.00 176.83 176.23 1ypi h GLU 97 N 0.13 0.00 0.10 4.77 5.08 -1.99 -0.68 114.58 121.99 1ypi h GLU 97 Ca 0.63 0.00 -0.30 0.00 -1.00 0.00 0.00 59.36 58.69 1ypi h GLU 97 Cb 2.16 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 31.40 1ypi h GLU 97 CO -0.14 0.00 -1.50 0.00 -1.00 0.00 0.00 179.01 176.37 1ypi h ARG 98 N 0.00 0.22 -0.26 2.33 2.47 -0.99 -2.77 114.38 115.38 1ypi h ARG 98 Ca 0.00 -0.37 -0.04 0.00 -1.26 0.00 0.00 59.98 58.30 1ypi h ARG 98 Cb 0.76 0.14 -0.01 0.00 -1.65 0.00 0.00 29.97 29.21 1ypi h ARG 98 CO 0.00 1.07 -0.01 0.00 0.56 0.00 0.00 179.97 181.59 1ypi h ARG 99 N 0.06 0.46 0.00 0.04 3.08 -1.16 -0.74 114.38 116.12 1ypi h ARG 99 Ca -0.23 -0.15 0.00 0.00 0.07 0.00 0.00 59.98 59.67 1ypi h ARG 99 Cb 2.00 -0.04 0.00 0.00 0.08 0.00 0.00 29.97 32.01 1ypi h ARG 99 CO 0.16 0.64 0.00 -1.13 -1.07 0.00 0.00 179.97 178.57 1ypi n SER 100 N -4.60 0.00 -0.25 7.04 3.41 -0.28 -3.28 113.62 115.66 1ypi n SER 100 Ca -0.03 0.34 0.05 0.00 -0.26 0.00 0.00 58.87 58.96 1ypi n SER 100 Cb 0.26 -0.47 0.29 0.00 -0.26 0.00 0.00 64.21 64.03 1ypi n SER 100 CO 0.00 0.00 0.00 1.88 -0.16 0.00 0.00 175.04 176.76 1ypi h TYR 101 N 0.00 0.92 -0.39 7.33 0.05 -1.67 -3.12 116.97 120.09 1ypi h TYR 101 Ca 0.00 0.02 0.00 0.00 0.05 0.00 0.00 58.73 58.80 1ypi h TYR 101 Cb 0.00 -0.30 0.00 0.00 1.01 0.00 0.00 36.73 37.44 1ypi h TYR 101 CO 0.00 0.49 0.00 1.19 -1.05 0.00 0.00 178.16 178.79 1ypi n PHE 102 N -4.48 0.78 -2.54 4.88 3.01 -0.65 -5.02 117.46 113.44 1ypi n PHE 102 Ca 0.12 -0.62 0.00 0.00 1.01 0.00 0.00 57.45 57.96 1ypi n PHE 102 Cb 0.20 -0.14 0.00 0.00 -0.01 0.00 0.00 39.48 39.54 1ypi n PHE 102 CO 0.00 0.00 0.00 -2.39 1.01 0.00 0.00 176.76 175.38 1ypi n HIS 103 N 0.40 0.00 -2.87 1.38 1.44 -0.37 -4.89 115.22 110.30 1ypi n HIS 103 Ca 0.17 0.00 -0.41 0.00 -2.01 0.00 0.00 57.72 55.47 1ypi n HIS 103 Cb 0.64 0.00 -0.04 0.00 0.12 0.00 0.00 29.99 30.71 1ypi n HIS 103 CO 0.00 0.00 0.00 -1.21 -2.81 0.00 0.00 176.34 172.32 1ypi s GLU 104 N -2.18 4.42 0.49 -1.40 2.02 -1.11 -5.02 118.70 115.92 1ypi s GLU 104 Ca 0.00 1.12 0.08 0.00 0.02 0.00 0.00 54.97 56.19 1ypi s GLU 104 Cb 0.00 -3.50 0.04 0.00 0.10 0.00 0.00 34.13 30.77 1ypi s GLU 104 CO 0.00 -0.14 0.63 0.16 0.02 0.00 0.00 175.26 175.93 1ypi s ASP 105 N 1.01 5.29 0.44 -0.19 1.47 -1.26 -4.59 116.67 118.84 1ypi s ASP 105 Ca 0.43 -0.69 0.12 0.00 1.18 0.00 0.00 52.55 53.58 1ypi s ASP 105 Cb -0.18 -0.18 0.99 0.00 -0.34 0.00 0.00 42.92 43.21 1ypi s ASP 105 CO 0.18 -1.01 2.03 0.44 0.68 0.00 0.00 175.17 177.49 1ypi h ASP 106 N 0.50 0.15 0.58 2.11 3.45 -1.97 -1.06 116.42 120.18 1ypi h ASP 106 Ca -0.36 -0.02 -0.16 0.00 0.43 0.00 0.00 57.03 56.92 1ypi h ASP 106 Cb 1.28 -0.04 -0.02 0.00 -0.56 0.00 0.00 39.33 40.00 1ypi h ASP 106 CO 0.45 0.22 -0.73 0.50 -1.57 0.00 0.00 179.24 178.11 1ypi h LYS 107 N 0.17 0.12 0.59 3.56 1.63 -1.95 -2.19 116.57 118.50 1ypi h LYS 107 Ca 0.04 -0.11 -0.03 0.00 -0.85 0.00 0.00 60.65 59.70 1ypi h LYS 107 Cb 0.17 0.02 0.01 0.00 -0.60 0.00 0.00 32.23 31.83 1ypi h LYS 107 CO 0.01 0.80 -0.28 0.35 -3.45 0.00 0.00 179.45 176.87 1ypi h PHE 108 N 0.08 -0.74 -0.03 1.91 3.57 -1.60 0.85 116.94 120.98 1ypi h PHE 108 Ca -0.02 -0.02 -0.03 0.00 3.53 0.00 0.00 57.97 61.43 1ypi h PHE 108 Cb 1.29 0.24 -0.01 0.00 2.79 0.00 0.00 35.95 40.27 1ypi h PHE 108 CO 0.01 -0.43 -0.13 0.82 -2.23 0.00 0.00 178.31 176.35 1ypi h ILE 109 N -0.87 1.12 0.49 1.41 2.04 -1.44 0.33 117.51 120.59 1ypi h ILE 109 Ca -0.08 -0.54 -0.02 0.00 1.00 0.00 0.00 64.86 65.22 1ypi h ILE 109 Cb 0.64 1.24 0.00 0.00 -0.74 0.00 0.00 36.82 37.96 1ypi h ILE 109 CO 0.13 0.16 -0.23 0.00 0.00 0.00 0.00 178.15 178.21 1ypi h ALA 110 N 1.82 -0.65 -0.55 1.87 0.00 -1.20 0.89 119.26 121.43 1ypi h ALA 110 Ca 0.01 -0.19 0.07 0.00 0.00 0.00 0.00 54.91 54.80 1ypi h ALA 110 Cb 0.27 0.25 -0.06 0.00 0.00 0.00 0.00 17.79 18.25 1ypi h ALA 110 CO 0.02 -0.68 0.24 -0.44 0.00 0.00 0.00 179.25 178.39 1ypi h ASP 111 N -1.03 0.29 -0.05 0.00 3.45 -0.45 -1.60 116.42 117.02 1ypi h ASP 111 Ca -0.07 0.05 -0.00 0.00 0.43 0.00 0.00 57.03 57.45 1ypi h ASP 111 Cb 0.59 0.01 -0.00 0.00 -0.56 0.00 0.00 39.33 39.37 1ypi h ASP 111 CO 0.11 0.19 0.03 0.11 -1.57 0.00 0.00 179.24 178.11 1ypi h LYS 112 N 0.45 0.07 -0.90 3.56 1.57 -0.07 -2.77 116.57 118.47 1ypi h LYS 112 Ca 0.26 -0.01 0.12 0.00 -1.87 0.00 0.00 60.65 59.15 1ypi h LYS 112 Cb 0.25 -0.01 -0.07 0.00 0.08 0.00 0.00 32.23 32.48 1ypi h LYS 112 CO -0.23 0.10 0.58 1.15 -0.57 0.00 0.00 179.45 180.48 1ypi h THR 113 N 0.03 0.91 0.58 -0.16 2.02 0.12 -2.41 112.91 114.00 1ypi h THR 113 Ca 0.02 -0.28 -0.02 0.00 0.77 0.00 0.00 66.41 66.89 1ypi h THR 113 Cb 0.04 0.01 -0.00 0.00 -1.74 0.00 0.00 68.15 66.46 1ypi h THR 113 CO -0.00 0.15 -0.35 0.50 0.37 0.00 0.00 175.52 176.19 1ypi h LYS 114 N 0.82 -0.85 -0.19 6.66 3.64 -1.18 -0.92 116.57 124.56 1ypi h LYS 114 Ca 0.44 0.06 0.02 0.00 -1.27 0.00 0.00 60.65 59.90 1ypi h LYS 114 Cb 0.54 0.19 -0.02 0.00 -0.41 0.00 0.00 32.23 32.53 1ypi h LYS 114 CO -0.20 -0.56 0.05 0.35 -2.27 0.00 0.00 179.45 176.81 1ypi h PHE 115 N -0.88 0.08 -0.19 1.91 3.57 -1.35 0.06 116.94 120.15 1ypi h PHE 115 Ca -0.07 0.01 -0.02 0.00 3.53 0.00 0.00 57.97 61.42 1ypi h PHE 115 Cb 0.71 -0.01 -0.01 0.00 2.79 0.00 0.00 35.95 39.43 1ypi h PHE 115 CO -0.09 0.03 0.03 0.00 -2.23 0.00 0.00 178.31 176.05 1ypi h ALA 116 N 1.13 0.25 0.00 2.41 0.00 -1.34 -2.02 119.26 119.68 1ypi h ALA 116 Ca 0.08 -0.17 -0.02 0.00 0.00 0.00 0.00 54.91 54.80 1ypi h ALA 116 Cb 0.07 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 17.78 1ypi h ALA 116 CO -0.10 -0.08 -0.08 -0.07 0.00 0.00 0.00 179.25 178.92 1ypi h LEU 117 N 0.10 0.00 -0.97 0.00 3.38 -1.05 -1.18 115.31 115.60 1ypi h LEU 117 Ca 0.06 0.00 -0.11 0.00 0.09 0.00 0.00 57.88 57.92 1ypi h LEU 117 Cb 0.32 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.05 1ypi h LEU 117 CO 0.00 0.08 -0.48 1.23 0.09 0.00 0.00 178.44 179.37 1ypi h GLY 118 N 0.79 0.10 -1.33 0.83 0.00 -0.27 -2.98 103.07 100.20 1ypi h GLY 118 Ca -0.00 -0.10 0.00 0.00 0.00 0.00 0.00 47.33 47.23 1ypi h GLY 118 CO 0.01 0.09 0.00 -1.06 0.00 0.00 0.00 176.54 175.58 1ypi n GLN 119 N -3.97 2.02 -0.76 4.80 1.13 -0.48 -4.96 117.38 115.15 1ypi n GLN 119 Ca -0.02 -1.52 0.00 0.00 -1.94 0.00 0.00 57.00 53.53 1ypi n GLN 119 Cb 0.51 -1.45 0.00 0.00 0.11 0.00 0.00 30.24 29.41 1ypi n GLN 119 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1ypi n GLY 120 N 1.27 0.55 3.79 1.08 0.00 -1.02 -5.03 105.19 105.84 1ypi n GLY 120 Ca 0.17 -0.62 -0.32 0.00 0.00 0.00 0.00 46.02 45.26 1ypi n GLY 120 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1ypi s VAL 121 N -2.00 4.73 0.67 1.61 -7.23 -1.00 -5.02 120.40 112.17 1ypi s VAL 121 Ca 0.00 -0.50 -0.13 0.00 -1.81 0.00 0.00 61.98 59.54 1ypi s VAL 121 Cb 0.00 -3.21 -0.00 0.00 0.56 0.00 0.00 36.38 33.73 1ypi s VAL 121 CO 0.00 0.27 1.07 -0.83 -0.31 0.00 0.00 175.10 175.30 1ypi s GLY 122 N -1.98 1.88 -0.05 2.32 0.00 0.61 -3.95 107.32 106.15 1ypi s GLY 122 Ca 0.26 0.27 0.03 0.00 0.00 0.00 0.00 44.72 45.27 1ypi s GLY 122 CO 0.17 0.59 -0.13 0.14 0.00 0.00 0.00 173.10 173.87 1ypi s VAL 123 N -2.74 1.17 -0.33 1.40 1.01 -0.86 -0.71 120.40 119.34 1ypi s VAL 123 Ca 0.61 -0.54 -0.07 0.00 0.00 0.00 0.00 61.98 61.99 1ypi s VAL 123 Cb -0.16 -1.05 0.03 0.00 0.00 0.00 0.00 36.38 35.21 1ypi s VAL 123 CO 0.47 0.36 0.10 -0.63 0.00 0.00 0.00 175.10 175.40 1ypi s ILE 124 N 0.38 3.84 -0.24 2.22 1.01 0.96 -0.51 121.20 128.87 1ypi s ILE 124 Ca -0.09 -1.02 -0.09 0.00 0.00 0.00 0.00 60.65 59.45 1ypi s ILE 124 Cb -0.13 -3.13 -0.04 0.00 0.01 0.00 0.00 42.46 39.17 1ypi s ILE 124 CO 0.03 -0.12 0.11 -0.22 0.00 0.00 0.00 174.94 174.74 1ypi s LEU 125 N 1.43 3.80 -0.17 2.97 2.96 -0.43 0.38 118.68 129.61 1ypi s LEU 125 Ca -0.01 -0.03 -0.08 0.00 -0.22 0.00 0.00 54.13 53.79 1ypi s LEU 125 Cb -0.19 -2.01 -0.04 0.00 0.50 0.00 0.00 46.19 44.44 1ypi s LEU 125 CO 0.03 0.04 0.11 0.00 -1.32 0.00 0.00 176.35 175.20 1ypi s ILE 127 N 0.03 0.68 0.00 0.00 -4.36 -0.86 -4.58 121.20 112.10 1ypi s ILE 127 Ca 0.08 -1.93 0.00 0.00 -0.26 0.00 0.00 60.65 58.54 1ypi s ILE 127 Cb -0.12 -1.68 0.00 0.00 1.25 0.00 0.00 42.46 41.91 1ypi s ILE 127 CO -0.00 -0.87 0.00 0.61 0.24 0.00 0.00 174.94 174.92 1ypi n GLY 128 N -0.04 3.61 3.84 6.27 0.00 -1.26 -0.65 105.19 116.96 1ypi n GLY 128 Ca -0.12 -0.98 -0.22 0.00 0.00 0.00 0.00 46.02 44.71 1ypi n GLY 128 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1ypi s GLU 129 N -2.35 2.53 0.95 1.61 4.04 -1.24 -4.84 118.70 119.40 1ypi s GLU 129 Ca 0.00 -1.50 -0.15 0.00 0.04 0.00 0.00 54.97 53.36 1ypi s GLU 129 Cb 0.00 -2.34 0.21 0.00 0.02 0.00 0.00 34.13 32.02 1ypi s GLU 129 CO 0.00 -0.07 1.30 0.95 -1.84 0.00 0.00 175.26 175.61 1ypi s THR 130 N -2.43 2.01 -0.00 1.83 -4.23 -1.26 -2.47 115.64 109.09 1ypi s THR 130 Ca 0.44 -0.08 -0.21 0.00 -1.18 0.00 0.00 61.69 60.67 1ypi s THR 130 Cb -0.03 -2.93 -0.22 0.00 1.34 0.00 0.00 72.50 70.66 1ypi s THR 130 CO 0.26 0.00 1.12 0.25 -0.54 0.00 0.00 174.62 175.71 1ypi h LEU 131 N -1.58 0.45 -0.20 4.79 5.85 -1.86 0.21 115.31 122.97 1ypi h LEU 131 Ca -0.43 -0.72 0.06 0.00 0.84 0.00 0.00 57.88 57.62 1ypi h LEU 131 Cb 1.23 -0.14 -0.06 0.00 0.37 0.00 0.00 40.66 42.06 1ypi h LEU 131 CO 0.35 1.11 -0.21 -0.33 -0.34 0.00 0.00 178.44 179.01 1ypi h GLU 132 N -0.17 -0.23 -0.54 1.25 3.07 -1.97 0.92 114.58 116.91 1ypi h GLU 132 Ca -0.05 0.02 -0.04 0.00 -0.50 0.00 0.00 59.36 58.78 1ypi h GLU 132 Cb 1.16 0.05 -0.03 0.00 -0.84 0.00 0.00 28.75 29.09 1ypi h GLU 132 CO 0.09 -0.15 0.16 0.93 -1.40 0.00 0.00 179.01 178.64 1ypi h GLU 133 N -0.24 0.81 -0.26 2.33 5.08 -1.93 -2.51 114.58 117.86 1ypi h GLU 133 Ca 0.12 -0.15 -0.15 0.00 -1.00 0.00 0.00 59.36 58.18 1ypi h GLU 133 Cb 0.42 -0.13 -0.01 0.00 0.50 0.00 0.00 28.75 29.53 1ypi h GLU 133 CO -0.34 0.71 -0.46 -0.22 -1.00 0.00 0.00 179.01 177.69 1ypi h LYS 134 N 0.79 0.69 0.00 2.33 3.11 0.05 -1.73 116.57 121.81 1ypi h LYS 134 Ca 0.18 -0.39 -0.01 0.00 -2.81 0.00 0.00 60.65 57.63 1ypi h LYS 134 Cb 0.24 0.03 -0.00 0.00 -1.00 0.00 0.00 32.23 31.49 1ypi h LYS 134 CO -0.01 1.00 -0.03 0.87 -2.81 0.00 0.00 179.45 178.47 1ypi h LYS 135 N 0.55 0.00 -0.74 1.90 1.57 -0.42 -0.57 116.57 118.86 1ypi h LYS 135 Ca 0.03 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.81 1ypi h LYS 135 Cb 1.01 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.32 1ypi h LYS 135 CO 0.10 0.03 0.00 0.00 -0.57 0.00 0.00 179.45 179.01 1ypi n ALA 136 N -2.11 2.43 -4.02 3.86 0.00 -1.06 -4.94 120.51 114.67 1ypi n ALA 136 Ca 0.01 -1.33 -0.31 0.00 0.00 0.00 0.00 53.44 51.81 1ypi n ALA 136 Cb 0.33 -0.94 -0.00 0.00 0.00 0.00 0.00 19.45 18.84 1ypi n ALA 136 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1ypi n GLY 137 N 1.63 -0.41 1.61 0.00 0.00 -0.22 -4.87 105.19 102.93 1ypi n GLY 137 Ca 0.25 0.16 0.03 0.00 0.00 0.00 0.00 46.02 46.46 1ypi n GLY 137 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1ypi n LYS 138 N -4.49 3.86 0.25 1.61 4.76 -0.66 -4.67 118.16 118.83 1ypi n LYS 138 Ca -0.04 -3.06 -0.16 0.00 -2.87 0.00 0.00 58.31 52.18 1ypi n LYS 138 Cb 0.55 -2.12 -0.08 0.00 -1.84 0.00 0.00 35.03 31.55 1ypi n LYS 138 CO 0.00 0.00 0.00 1.79 -1.37 0.00 0.00 177.40 177.82 1ypi h THR 139 N 2.85 0.42 -0.23 -0.18 1.35 -1.87 -1.69 112.91 113.55 1ypi h THR 139 Ca 0.09 0.00 -0.09 0.00 -0.55 0.00 0.00 66.41 65.86 1ypi h THR 139 Cb 1.92 0.42 -0.01 0.00 -1.73 0.00 0.00 68.15 68.75 1ypi h THR 139 CO 0.49 0.00 -0.23 -0.07 -0.25 0.00 0.00 175.52 175.45 1ypi h LEU 140 N -0.68 0.43 0.34 3.87 -0.00 -1.97 -2.86 115.31 114.44 1ypi h LEU 140 Ca -0.04 -0.14 -0.01 0.00 -0.00 0.00 0.00 57.88 57.69 1ypi h LEU 140 Cb 0.57 -0.12 -0.02 0.00 -0.00 0.00 0.00 40.66 41.10 1ypi h LEU 140 CO 0.03 0.67 -0.35 0.44 -0.00 0.00 0.00 178.44 179.23 1ypi h ASP 141 N 0.38 -0.96 -0.01 -0.43 5.19 -1.87 -1.95 116.42 116.78 1ypi h ASP 141 Ca 0.06 0.08 0.02 0.00 -0.62 0.00 0.00 57.03 56.57 1ypi h ASP 141 Cb 0.62 0.32 -0.02 0.00 0.18 0.00 0.00 39.33 40.43 1ypi h ASP 141 CO 0.04 -0.46 -0.10 -0.37 -3.12 0.00 0.00 179.24 175.24 1ypi h VAL 142 N -0.69 0.74 -0.88 -1.35 -1.51 -1.17 0.22 116.25 111.60 1ypi h VAL 142 Ca -0.04 0.00 0.11 0.00 -1.23 0.00 0.00 66.70 65.53 1ypi h VAL 142 Cb 0.60 0.74 -0.07 0.00 -2.13 0.00 0.00 31.29 30.43 1ypi h VAL 142 CO -0.05 0.00 0.57 0.58 -1.23 0.00 0.00 177.57 177.44 1ypi h VAL 143 N -0.17 0.94 0.08 7.19 2.07 -1.60 1.60 116.25 126.37 1ypi h VAL 143 Ca 0.04 -0.29 -0.25 0.00 0.82 0.00 0.00 66.70 67.02 1ypi h VAL 143 Cb 0.22 0.03 0.00 0.00 -1.52 0.00 0.00 31.29 30.02 1ypi h VAL 143 CO -0.11 0.15 -1.12 1.05 0.02 0.00 0.00 177.57 177.56 1ypi h GLU 144 N 0.84 0.32 -0.85 1.57 4.11 -0.71 -0.27 114.58 119.58 1ypi h GLU 144 Ca 0.42 -0.45 0.00 0.00 0.07 0.00 0.00 59.36 59.40 1ypi h GLU 144 Cb 0.47 0.15 -0.04 0.00 0.50 0.00 0.00 28.75 29.83 1ypi h GLU 144 CO -0.18 1.17 0.53 -0.09 0.07 0.00 0.00 179.01 180.51 1ypi h ARG 145 N 0.13 1.13 -0.33 1.06 2.43 0.15 0.57 114.38 119.52 1ypi h ARG 145 Ca -0.11 -0.09 -0.07 0.00 -0.81 0.00 0.00 59.98 58.90 1ypi h ARG 145 Cb 1.81 -0.25 -0.01 0.00 -0.42 0.00 0.00 29.97 31.11 1ypi h ARG 145 CO 0.19 0.77 -0.05 1.96 -1.51 0.00 0.00 179.97 181.33 1ypi h GLN 146 N 1.15 0.62 -0.28 0.20 4.20 0.25 -2.98 115.11 118.28 1ypi h GLN 146 Ca 0.31 -0.22 -0.10 0.00 0.06 0.00 0.00 58.65 58.69 1ypi h GLN 146 Cb -0.09 -0.04 -0.01 0.00 0.30 0.00 0.00 27.48 27.64 1ypi h GLN 146 CO -0.06 0.78 -0.26 -0.07 -0.67 0.00 0.00 178.83 178.54 1ypi h LEU 147 N 0.41 0.55 -0.95 1.46 3.38 -0.92 -3.18 115.31 116.07 1ypi h LEU 147 Ca 0.09 -0.20 0.00 0.00 0.09 0.00 0.00 57.88 57.86 1ypi h LEU 147 Cb 0.53 -0.15 -0.05 0.00 0.09 0.00 0.00 40.66 41.08 1ypi h LEU 147 CO 0.03 0.80 0.60 0.78 0.09 0.00 0.00 178.44 180.74 1ypi h ASN 148 N 0.48 1.12 -0.48 -0.43 2.35 0.24 -1.52 115.58 117.34 1ypi h ASN 148 Ca 0.07 -0.05 -0.01 0.00 -0.55 0.00 0.00 56.30 55.75 1ypi h ASN 148 Cb 0.71 -0.28 -0.02 0.00 0.05 0.00 0.00 38.32 38.77 1ypi h ASN 148 CO 0.05 0.84 0.26 0.00 -1.65 0.00 0.00 177.43 176.93 1ypi h ALA 149 N 1.33 1.51 0.10 -0.83 0.00 -1.50 -2.51 119.26 117.36 1ypi h ALA 149 Ca 0.34 -0.09 -0.29 0.00 0.00 0.00 0.00 54.91 54.87 1ypi h ALA 149 Cb -0.10 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.48 1ypi h ALA 149 CO -0.07 0.40 -1.47 -0.39 0.00 0.00 0.00 179.25 177.72 1ypi h VAL 150 N 0.70 1.21 -0.96 0.00 -1.51 -1.56 -3.26 116.25 110.87 1ypi h VAL 150 Ca 0.18 -2.87 0.24 0.00 -1.23 0.00 0.00 66.70 63.02 1ypi h VAL 150 Cb 0.05 2.76 -0.07 0.00 -2.13 0.00 0.00 31.29 31.90 1ypi h VAL 150 CO -0.03 0.82 0.64 -0.07 -1.23 0.00 0.00 177.57 177.70 1ypi h LEU 151 N 0.06 0.33 -1.08 4.19 3.38 -1.15 1.34 115.31 122.37 1ypi h LEU 151 Ca -0.22 0.04 0.01 0.00 0.09 0.00 0.00 57.88 57.81 1ypi h LEU 151 Cb 1.99 -0.01 -0.05 0.00 0.09 0.00 0.00 40.66 42.68 1ypi h LEU 151 CO 0.16 0.10 0.62 -0.33 0.09 0.00 0.00 178.44 179.08 1ypi h GLU 152 N 0.31 1.22 0.00 1.13 4.39 -1.50 -3.27 114.58 116.86 1ypi h GLU 152 Ca 0.51 -0.07 -0.07 0.00 0.34 0.00 0.00 59.36 60.07 1ypi h GLU 152 Cb 1.43 -0.27 -0.01 0.00 -0.10 0.00 0.00 28.75 29.79 1ypi h GLU 152 CO -0.17 0.80 -1.93 0.39 -1.16 0.00 0.00 179.01 176.94 1ypi n GLU 153 N -4.40 0.69 -4.05 2.33 -0.58 0.53 -4.93 120.64 110.22 1ypi n GLU 153 Ca 0.11 -0.14 -0.33 0.00 -0.42 0.00 0.00 57.16 56.38 1ypi n GLU 153 Cb 0.03 -1.45 -0.15 0.00 -0.57 0.00 0.00 31.44 29.30 1ypi n GLU 153 CO 0.00 0.00 0.00 0.08 -0.48 0.00 0.00 177.13 176.73 1ypi s VAL 154 N -3.12 2.34 -0.16 2.62 1.01 0.43 -4.95 120.40 118.57 1ypi s VAL 154 Ca -0.07 -1.28 0.20 0.00 0.00 0.00 0.00 61.98 60.82 1ypi s VAL 154 Cb 0.11 -2.23 -0.10 0.00 0.00 0.00 0.00 36.38 34.16 1ypi s VAL 154 CO 0.77 0.18 0.85 0.29 0.00 0.00 0.00 175.10 177.19 1ypi n LYS 155 N 4.55 0.62 -0.10 2.72 5.02 -1.26 -4.49 118.16 125.22 1ypi n LYS 155 Ca -0.17 0.13 -0.18 0.00 -2.02 0.00 0.00 58.31 56.07 1ypi n LYS 155 Cb 0.46 -1.78 -0.06 0.00 -0.02 0.00 0.00 35.03 33.63 1ypi n LYS 155 CO 0.00 0.00 0.00 -3.47 -0.52 0.00 0.00 177.40 173.41 1ypi n ASP 156 N -2.73 1.83 -0.51 4.39 4.64 -1.26 -5.00 116.55 117.91 1ypi n ASP 156 Ca -0.06 0.31 -0.07 0.00 -1.38 0.00 0.00 54.79 53.60 1ypi n ASP 156 Cb 0.70 -0.73 -0.03 0.00 -1.04 0.00 0.00 41.12 40.02 1ypi n ASP 156 CO 0.00 0.00 0.00 0.79 -0.82 0.00 0.00 177.20 177.17 1ypi n TRP 157 N -4.26 0.00 0.35 -0.67 7.02 -1.26 -4.78 117.44 113.84 1ypi n TRP 157 Ca -0.33 0.00 0.13 0.00 -1.02 0.00 0.00 57.50 56.28 1ypi n TRP 157 Cb 0.68 -2.14 0.27 0.00 -2.42 0.00 0.00 31.31 27.70 1ypi n TRP 157 CO 0.00 0.00 0.00 1.79 -2.02 0.00 0.00 177.69 177.46 1ypi h THR 158 N 0.00 0.00 -0.77 -0.99 1.35 -1.98 -3.22 112.91 107.31 1ypi h THR 158 Ca -0.14 -0.80 -0.54 0.00 -0.55 0.00 0.00 66.41 64.38 1ypi h THR 158 Cb 0.93 1.79 -0.36 0.00 -1.73 0.00 0.00 68.15 68.79 1ypi h THR 158 CO 0.20 0.00 -0.28 0.59 -0.25 0.00 0.00 175.52 175.78 1ypi n ASN 159 N -2.83 5.41 -4.30 5.36 3.02 -1.26 -4.98 115.26 115.69 1ypi n ASN 159 Ca 0.04 -3.77 -0.27 0.00 -0.03 0.00 0.00 54.58 50.55 1ypi n ASN 159 Cb 0.48 -0.55 -0.14 0.00 -0.61 0.00 0.00 39.78 38.97 1ypi n ASN 159 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 1ypi s VAL 160 N -4.52 1.89 0.05 2.41 1.01 -1.22 -2.03 120.40 117.99 1ypi s VAL 160 Ca 0.54 -1.34 0.08 0.00 0.00 0.00 0.00 61.98 61.26 1ypi s VAL 160 Cb 0.44 -1.64 -0.03 0.00 0.00 0.00 0.00 36.38 35.15 1ypi s VAL 160 CO 0.02 0.24 -0.22 0.68 0.00 0.00 0.00 175.10 175.82 1ypi s VAL 161 N -0.85 1.78 -0.05 2.92 -7.23 0.33 -4.55 120.40 112.76 1ypi s VAL 161 Ca 0.09 -1.25 0.06 0.00 -1.81 0.00 0.00 61.98 59.07 1ypi s VAL 161 Cb -0.09 -1.54 -0.02 0.00 0.56 0.00 0.00 36.38 35.29 1ypi s VAL 161 CO 0.02 0.24 -0.23 0.54 -0.31 0.00 0.00 175.10 175.36 1ypi s VAL 162 N -0.81 2.28 -0.12 1.32 0.11 -0.19 -1.31 120.40 121.69 1ypi s VAL 162 Ca 0.08 -1.00 0.03 0.00 -2.93 0.00 0.00 61.98 58.16 1ypi s VAL 162 Cb -0.09 -1.83 0.00 0.00 -1.53 0.00 0.00 36.38 32.93 1ypi s VAL 162 CO 0.02 0.58 -0.22 0.00 -3.33 0.00 0.00 175.10 172.15 1ypi s ALA 163 N -0.39 2.27 -0.20 1.54 0.00 -0.37 -0.17 121.76 124.43 1ypi s ALA 163 Ca 0.03 -1.00 -0.17 0.00 0.00 0.00 0.00 51.96 50.82 1ypi s ALA 163 Cb -0.12 -0.94 -0.04 0.00 0.00 0.00 0.00 23.12 22.03 1ypi s ALA 163 CO 0.02 0.17 0.44 -0.47 0.00 0.00 0.00 175.76 175.91 1ypi s TYR 164 N 0.51 3.37 -0.35 0.00 5.04 -0.34 -2.02 117.35 123.57 1ypi s TYR 164 Ca -0.14 0.66 -0.07 0.00 -2.44 0.00 0.00 57.07 55.09 1ypi s TYR 164 Cb -0.17 -2.58 0.04 0.00 0.35 0.00 0.00 41.96 39.61 1ypi s TYR 164 CO 0.05 -0.05 0.12 -1.21 -1.34 0.00 0.00 175.55 173.12 1ypi s GLU 165 N 1.45 2.62 -1.06 4.97 2.02 0.17 -0.65 118.70 128.22 1ypi s GLU 165 Ca 0.21 -1.21 -0.24 0.00 0.02 0.00 0.00 54.97 53.75 1ypi s GLU 165 Cb -0.15 -3.50 -0.08 0.00 0.10 0.00 0.00 34.13 30.50 1ypi s GLU 165 CO 0.09 -0.70 1.96 -1.25 0.02 0.00 0.00 175.26 175.37 1ypi s PRO 166 N 1.41 2.45 0.56 0.39 0.04 -1.26 -3.72 135.00 134.87 1ypi s PRO 166 Ca -0.01 -0.76 0.34 0.00 0.04 0.00 0.00 61.00 60.61 1ypi s PRO 166 Cb -0.20 -5.15 1.45 0.00 0.04 0.00 0.00 34.50 30.64 1ypi s PRO 166 CO 0.03 -3.81 2.02 0.28 0.04 0.00 0.00 177.00 175.56 1ypi h VAL 167 N 6.65 0.05 0.00 -0.36 2.07 -1.81 -2.24 116.25 120.62 1ypi h VAL 167 Ca 0.16 -0.50 0.00 0.00 0.82 0.00 0.00 66.70 67.18 1ypi h VAL 167 Cb 0.97 1.47 0.00 0.00 -1.52 0.00 0.00 31.29 32.21 1ypi h VAL 167 CO 1.21 0.02 0.00 4.11 0.02 0.00 0.00 177.57 182.92 1ypi h TRP 168 N 0.00 0.00 -0.18 1.57 5.08 -1.76 -2.90 115.95 117.76 1ypi h TRP 168 Ca -0.00 0.00 0.00 0.00 1.08 0.00 0.00 58.89 59.97 1ypi h TRP 168 Cb 0.47 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 26.63 1ypi h TRP 168 CO 0.00 0.00 0.00 0.00 -1.28 0.00 0.00 178.44 177.16 1ypi n ALA 169 N -1.83 2.45 -3.29 0.11 0.00 -0.84 -4.55 120.51 112.56 1ypi n ALA 169 Ca 0.03 -0.80 -0.41 0.00 0.00 0.00 0.00 53.44 52.26 1ypi n ALA 169 Cb 0.32 -0.86 -0.09 0.00 0.00 0.00 0.00 19.45 18.81 1ypi n ALA 169 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 1ypi s ILE 170 N -1.79 4.35 -0.39 0.00 1.09 -1.10 -4.46 121.20 118.90 1ypi s ILE 170 Ca 0.33 -1.43 0.00 0.00 -1.10 0.00 0.00 60.65 58.45 1ypi s ILE 170 Cb 0.21 -3.69 0.00 0.00 -1.06 0.00 0.00 42.46 37.92 1ypi s ILE 170 CO 0.31 -0.57 0.00 0.61 -0.10 0.00 0.00 174.94 175.19 1ypi n GLY 171 N 4.95 0.63 0.05 6.18 0.00 -1.26 -4.89 105.19 110.84 1ypi n GLY 171 Ca -0.10 -0.89 -0.01 0.00 0.00 0.00 0.00 46.02 45.02 1ypi n GLY 171 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1ypi n THR 172 N -2.98 0.59 -0.36 2.61 -2.24 -1.26 -5.00 114.28 105.63 1ypi n THR 172 Ca -0.04 -0.51 0.00 0.00 -2.27 0.00 0.00 64.05 61.23 1ypi n THR 172 Cb 0.16 -0.31 0.00 0.00 -2.10 0.00 0.00 70.33 68.08 1ypi n THR 172 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1ypi n GLY 173 N 1.90 0.79 3.67 3.38 0.00 -1.26 -5.07 105.19 108.61 1ypi n GLY 173 Ca -0.15 -0.24 -0.26 0.00 0.00 0.00 0.00 46.02 45.38 1ypi n GLY 173 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1ypi s LEU 174 N 0.00 3.34 -0.02 0.99 1.43 -1.26 -5.13 118.68 118.02 1ypi s LEU 174 Ca 0.00 -0.42 0.05 0.00 -1.03 0.00 0.00 54.13 52.73 1ypi s LEU 174 Cb 0.00 -1.96 -0.01 0.00 0.03 0.00 0.00 46.19 44.25 1ypi s LEU 174 CO 0.00 0.06 -0.17 0.00 0.23 0.00 0.00 176.35 176.47 1ypi s ALA 175 N -1.86 1.43 -0.03 4.21 0.00 -1.26 -4.64 121.76 119.61 1ypi s ALA 175 Ca 0.29 -0.72 -0.13 0.00 0.00 0.00 0.00 51.96 51.40 1ypi s ALA 175 Cb -0.09 -0.39 -0.05 0.00 0.00 0.00 0.00 23.12 22.59 1ypi s ALA 175 CO 0.19 0.33 0.34 0.00 0.00 0.00 0.00 175.76 176.62 1ypi s ALA 176 N -0.30 3.74 0.42 0.00 0.00 -1.26 -5.06 121.76 119.30 1ypi s ALA 176 Ca 0.04 -0.32 0.08 0.00 0.00 0.00 0.00 51.96 51.76 1ypi s ALA 176 Cb -0.08 -2.29 -0.01 0.00 0.00 0.00 0.00 23.12 20.74 1ypi s ALA 176 CO -0.00 0.51 0.41 0.95 0.00 0.00 0.00 175.76 177.63 1ypi s THR 177 N -1.03 2.67 0.44 0.00 -4.23 -1.26 -4.97 115.64 107.26 1ypi s THR 177 Ca 0.21 -1.29 0.27 0.00 -1.18 0.00 0.00 61.69 59.71 1ypi s THR 177 Cb -0.15 -2.96 0.30 0.00 1.34 0.00 0.00 72.50 71.02 1ypi s THR 177 CO 0.11 0.00 2.09 -0.65 -0.54 0.00 0.00 174.62 175.63 1ypi h PRO 178 N 0.95 0.00 -0.25 3.99 0.11 -1.98 -1.77 132.00 133.05 1ypi h PRO 178 Ca -0.41 0.00 -0.15 0.00 0.11 0.00 0.00 66.00 65.55 1ypi h PRO 178 Cb 1.27 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.38 1ypi h PRO 178 CO 0.55 0.10 -0.43 0.93 -0.21 0.00 0.00 178.00 178.95 1ypi h GLU 179 N 0.00 0.73 -0.52 1.05 3.07 -1.95 0.47 114.58 117.42 1ypi h GLU 179 Ca -0.00 -0.45 0.03 0.00 -0.50 0.00 0.00 59.36 58.43 1ypi h GLU 179 Cb 0.29 0.05 -0.04 0.00 -0.84 0.00 0.00 28.75 28.21 1ypi h GLU 179 CO 0.01 1.08 0.30 -0.44 -1.40 0.00 0.00 179.01 178.57 1ypi h ASP 180 N 0.46 0.48 -0.20 1.42 3.32 -1.73 -1.85 116.42 118.33 1ypi h ASP 180 Ca 0.02 0.01 -0.08 0.00 0.02 0.00 0.00 57.03 57.00 1ypi h ASP 180 Cb 1.03 -0.09 -0.00 0.00 0.22 0.00 0.00 39.33 40.48 1ypi h ASP 180 CO 0.10 0.34 -0.18 0.00 -1.72 0.00 0.00 179.24 177.77 1ypi h ALA 181 N 1.24 0.30 -0.15 3.45 0.00 -1.12 -2.71 119.26 120.28 1ypi h ALA 181 Ca 0.21 -0.35 0.05 0.00 0.00 0.00 0.00 54.91 54.83 1ypi h ALA 181 Cb 0.05 -0.06 -0.06 0.00 0.00 0.00 0.00 17.79 17.72 1ypi h ALA 181 CO -0.11 0.22 -0.21 0.37 0.00 0.00 0.00 179.25 179.52 1ypi h GLN 182 N 0.16 -0.24 0.06 0.00 -0.00 0.06 -2.13 115.11 113.02 1ypi h GLN 182 Ca 0.03 0.02 0.02 0.00 -0.00 0.00 0.00 58.65 58.73 1ypi h GLN 182 Cb 0.72 0.06 -0.05 0.00 0.00 0.00 0.00 27.48 28.21 1ypi h GLN 182 CO 0.05 -0.16 -0.41 0.22 0.00 0.00 0.00 178.83 178.53 1ypi h ASP 183 N -0.25 -1.21 0.36 -0.69 3.58 -1.39 -2.19 116.42 114.62 1ypi h ASP 183 Ca 0.11 0.14 -0.04 0.00 0.42 0.00 0.00 57.03 57.65 1ypi h ASP 183 Cb 0.41 0.47 -0.01 0.00 1.72 0.00 0.00 39.33 41.92 1ypi h ASP 183 CO -0.29 -0.47 -0.21 0.40 -2.88 0.00 0.00 179.24 175.79 1ypi h ILE 184 N -0.60 0.88 0.13 2.25 2.04 -1.33 -2.90 117.51 117.97 1ypi h ILE 184 Ca 0.03 -0.78 -0.24 0.00 1.00 0.00 0.00 64.86 64.87 1ypi h ILE 184 Cb 0.66 1.46 0.01 0.00 -0.74 0.00 0.00 36.82 38.20 1ypi h ILE 184 CO -0.27 0.20 -1.14 0.45 0.00 0.00 0.00 178.15 177.39 1ypi h HIS 185 N 0.00 0.51 -0.50 1.37 3.86 -1.30 -2.38 115.15 116.72 1ypi h HIS 185 Ca -0.00 -0.37 0.07 0.00 -1.16 0.00 0.00 60.37 58.90 1ypi h HIS 185 Cb 0.44 -0.02 -0.06 0.00 1.06 0.00 0.00 27.41 28.83 1ypi h HIS 185 CO 0.00 1.44 0.17 0.00 0.86 0.00 0.00 177.93 180.40 1ypi h ALA 186 N 0.02 0.60 0.08 2.45 0.00 -1.21 0.40 119.26 121.60 1ypi h ALA 186 Ca -0.23 0.07 0.02 0.00 0.00 0.00 0.00 54.91 54.77 1ypi h ALA 186 Cb 1.72 0.05 -0.04 0.00 0.00 0.00 0.00 17.79 19.53 1ypi h ALA 186 CO 0.11 -0.23 -0.25 0.77 0.00 0.00 0.00 179.25 179.66 1ypi h SER 187 N 0.34 -0.70 -0.57 0.00 0.02 -1.65 -1.63 113.55 109.36 1ypi h SER 187 Ca 0.24 0.09 -0.00 0.00 -0.84 0.00 0.00 61.79 61.28 1ypi h SER 187 Cb 0.27 0.28 -0.03 0.00 0.14 0.00 0.00 62.40 63.05 1ypi h SER 187 CO -0.25 -0.33 0.35 0.40 -1.14 0.00 0.00 176.83 175.86 1ypi h ILE 188 N -0.42 1.16 0.44 3.27 2.04 -1.10 -0.67 117.51 122.22 1ypi h ILE 188 Ca 0.04 -0.34 -0.01 0.00 1.00 0.00 0.00 64.86 65.55 1ypi h ILE 188 Cb 0.47 0.37 -0.02 0.00 -0.74 0.00 0.00 36.82 36.90 1ypi h ILE 188 CO -0.17 0.16 -0.37 -0.09 0.00 0.00 0.00 178.15 177.69 1ypi h ARG 189 N 0.76 -0.77 -0.72 2.37 2.43 0.04 -1.02 114.38 117.47 1ypi h ARG 189 Ca 0.20 0.05 0.15 0.00 -0.81 0.00 0.00 59.98 59.58 1ypi h ARG 189 Cb -0.04 0.18 -0.11 0.00 -0.42 0.00 0.00 29.97 29.58 1ypi h ARG 189 CO -0.04 -0.52 0.19 -0.22 -1.51 0.00 0.00 179.97 177.87 1ypi h LYS 190 N -0.80 0.28 0.79 0.20 3.64 -1.16 0.31 116.57 119.82 1ypi h LYS 190 Ca -0.04 -0.02 -0.03 0.00 -1.27 0.00 0.00 60.65 59.29 1ypi h LYS 190 Cb 0.70 -0.06 -0.00 0.00 -0.41 0.00 0.00 32.23 32.45 1ypi h LYS 190 CO -0.02 0.18 -0.47 0.35 -2.27 0.00 0.00 179.45 177.23 1ypi h PHE 191 N 0.29 -1.25 -0.53 1.91 3.57 -0.54 -1.80 116.94 118.58 1ypi h PHE 191 Ca 0.40 -0.01 0.15 0.00 3.53 0.00 0.00 57.97 62.04 1ypi h PHE 191 Cb 0.67 0.44 -0.02 0.00 2.79 0.00 0.00 35.95 39.83 1ypi h PHE 191 CO -0.25 -0.71 0.38 -0.07 -2.23 0.00 0.00 178.31 175.43 1ypi h LEU 192 N -1.17 0.02 -1.98 0.59 -0.00 0.12 -1.89 115.31 111.01 1ypi h LEU 192 Ca -0.11 0.00 0.04 0.00 -0.00 0.00 0.00 57.88 57.82 1ypi h LEU 192 Cb 0.93 -0.00 -0.01 0.00 -0.00 0.00 0.00 40.66 41.58 1ypi h LEU 192 CO 0.12 0.01 0.11 0.00 -0.00 0.00 0.00 178.44 178.68 1ypi h ALA 193 N 1.74 2.12 0.07 1.53 0.00 0.45 0.32 119.26 125.48 1ypi h ALA 193 Ca 0.25 -0.01 -0.27 0.00 0.00 0.00 0.00 54.91 54.89 1ypi h ALA 193 Cb 0.98 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.76 1ypi h ALA 193 CO -0.01 -0.16 -1.35 0.66 0.00 0.00 0.00 179.25 178.39 1ypi h SER 194 N 0.03 0.23 0.45 0.00 4.64 -1.12 -0.04 113.55 117.74 1ypi h SER 194 Ca 0.07 -0.30 -0.30 0.00 -0.47 0.00 0.00 61.79 60.79 1ypi h SER 194 Cb 0.27 -0.08 -0.04 0.00 -0.31 0.00 0.00 62.40 62.24 1ypi h SER 194 CO -0.00 1.24 -1.70 0.11 -0.87 0.00 0.00 176.83 175.61 1ypi h LYS 195 N 0.04 0.08 0.00 4.77 1.79 -1.45 -3.40 116.57 118.40 1ypi h LYS 195 Ca -0.16 -0.14 -0.00 0.00 -2.18 0.00 0.00 60.65 58.16 1ypi h LYS 195 Cb 1.94 0.05 -0.00 0.00 -1.58 0.00 0.00 32.23 32.64 1ypi h LYS 195 CO 0.15 0.75 -1.26 1.28 -1.08 0.00 0.00 179.45 179.29 1ypi n LEU 196 N -3.20 0.00 0.00 2.94 4.32 0.07 -5.12 117.00 116.00 1ypi n LEU 196 Ca -0.19 0.00 0.00 0.00 -0.02 0.00 0.00 56.01 55.80 1ypi n LEU 196 Cb 1.04 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 42.84 1ypi n LEU 196 CO 0.45 0.00 0.00 0.61 -1.22 0.00 0.00 177.39 177.24 1ypi n GLY 197 N 2.19 2.48 0.24 -0.72 0.00 -0.03 -4.57 105.19 104.78 1ypi n GLY 197 Ca -0.01 -1.65 0.10 0.00 0.00 0.00 0.00 46.02 44.46 1ypi n GLY 197 CO 0.00 0.00 0.00 1.29 0.00 0.00 0.00 173.32 174.61 1ypi h ASP 198 N 0.00 0.00 0.39 1.61 2.03 -1.89 -0.98 116.42 117.59 1ypi h ASP 198 Ca 0.00 0.00 -0.02 0.00 -0.73 0.00 0.00 57.03 56.28 1ypi h ASP 198 Cb 0.00 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 38.50 1ypi h ASP 198 CO 0.00 0.19 -0.19 0.50 -1.03 0.00 0.00 179.24 178.71 1ypi h LYS 199 N 0.00 -0.51 -0.83 4.15 1.63 -1.92 -0.22 116.57 118.88 1ypi h LYS 199 Ca -0.00 0.03 0.01 0.00 -0.85 0.00 0.00 60.65 59.85 1ypi h LYS 199 Cb 0.45 0.12 -0.04 0.00 -0.60 0.00 0.00 32.23 32.16 1ypi h LYS 199 CO 0.02 -0.20 0.54 0.00 -3.45 0.00 0.00 179.45 176.37 1ypi h ALA 200 N -0.55 1.06 0.00 5.00 0.00 -1.76 -0.67 119.26 122.34 1ypi h ALA 200 Ca -0.05 -0.05 -0.05 0.00 0.00 0.00 0.00 54.91 54.76 1ypi h ALA 200 Cb 0.55 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 18.01 1ypi h ALA 200 CO 0.09 0.43 -0.24 0.00 0.00 0.00 0.00 179.25 179.54 1ypi h ALA 201 N 1.31 1.13 0.00 0.00 0.00 -1.18 -2.68 119.26 117.85 1ypi h ALA 201 Ca 0.31 -0.21 -0.06 0.00 0.00 0.00 0.00 54.91 54.94 1ypi h ALA 201 Cb -0.10 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 17.65 1ypi h ALA 201 CO -0.08 0.29 -0.31 0.66 0.00 0.00 0.00 179.25 179.82 1ypi h SER 202 N 0.00 0.00 0.10 0.00 4.64 0.56 -3.14 113.55 115.71 1ypi h SER 202 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1ypi h SER 202 Cb 0.63 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.72 1ypi h SER 202 CO 0.03 0.31 -0.39 -0.62 -0.87 0.00 0.00 176.83 175.29 1ypi n GLU 203 N -3.22 1.01 -2.88 4.77 1.02 -1.04 -4.90 120.64 115.41 1ypi n GLU 203 Ca 0.02 -0.75 -0.40 0.00 -0.02 0.00 0.00 57.16 56.01 1ypi n GLU 203 Cb 0.62 -1.48 -0.05 0.00 -0.02 0.00 0.00 31.44 30.50 1ypi n GLU 203 CO 0.00 0.00 0.00 -1.17 1.18 0.00 0.00 177.13 177.14 1ypi s LEU 204 N -2.50 4.48 -0.12 -4.62 2.96 -1.05 -4.98 118.68 112.85 1ypi s LEU 204 Ca 0.21 1.59 -0.22 0.00 -0.22 0.00 0.00 54.13 55.49 1ypi s LEU 204 Cb 0.19 -3.37 -0.03 0.00 0.50 0.00 0.00 46.19 43.47 1ypi s LEU 204 CO 0.56 -0.01 0.64 -0.13 -1.32 0.00 0.00 176.35 176.09 1ypi s ARG 205 N -0.09 4.34 -0.31 1.98 3.00 -1.26 -5.01 118.95 121.59 1ypi s ARG 205 Ca 0.42 0.71 0.00 0.00 0.00 0.00 0.00 55.73 56.86 1ypi s ARG 205 Cb -0.22 -3.49 0.07 0.00 0.00 0.00 0.00 34.95 31.31 1ypi s ARG 205 CO 0.26 -0.03 0.01 0.42 0.00 0.00 0.00 175.30 175.96 1ypi s ILE 206 N 1.17 2.73 0.21 1.52 1.01 -1.25 -1.02 121.20 125.57 1ypi s ILE 206 Ca 0.32 -1.69 -0.30 0.00 0.00 0.00 0.00 60.65 58.98 1ypi s ILE 206 Cb -0.16 -2.69 -0.08 0.00 0.01 0.00 0.00 42.46 39.53 1ypi s ILE 206 CO 0.14 -0.25 0.97 -0.76 0.00 0.00 0.00 174.94 175.04 1ypi s LEU 207 N 1.15 4.59 -0.19 2.97 1.43 0.76 -1.82 118.68 127.57 1ypi s LEU 207 Ca -0.02 1.96 -0.16 0.00 -1.03 0.00 0.00 54.13 54.88 1ypi s LEU 207 Cb -0.20 -3.61 -0.04 0.00 0.03 0.00 0.00 46.19 42.37 1ypi s LEU 207 CO -0.04 0.05 0.38 -0.47 0.23 0.00 0.00 176.35 176.51 1ypi s TYR 208 N -0.82 3.40 -0.75 0.29 5.04 0.56 -1.20 117.35 123.87 1ypi s TYR 208 Ca 0.43 0.63 0.16 0.00 -2.44 0.00 0.00 57.07 55.86 1ypi s TYR 208 Cb -0.26 -2.49 0.62 0.00 0.35 0.00 0.00 41.96 40.18 1ypi s TYR 208 CO 0.33 0.05 1.54 0.41 -1.34 0.00 0.00 175.55 176.54 1ypi n GLY 209 N 3.77 3.11 0.00 8.97 0.00 0.18 -1.46 105.19 119.75 1ypi n GLY 209 Ca -0.09 -0.83 0.00 0.00 0.00 0.00 0.00 46.02 45.10 1ypi n GLY 209 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ypi n GLY 210 N 0.57 1.13 3.56 -0.02 0.00 -1.26 -4.63 105.19 104.53 1ypi n GLY 210 Ca 0.23 -1.81 -0.34 0.00 0.00 0.00 0.00 46.02 44.09 1ypi n GLY 210 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1ypi s SER 211 N -1.00 5.73 -0.14 1.61 0.01 -1.26 -4.77 113.70 113.88 1ypi s SER 211 Ca 0.00 -0.80 -0.07 0.00 1.31 0.00 0.00 55.95 56.39 1ypi s SER 211 Cb 0.00 -2.56 -0.04 0.00 0.21 0.00 0.00 66.02 63.63 1ypi s SER 211 CO 0.00 -2.19 0.10 0.00 0.41 0.00 0.00 173.24 171.57 1ypi s ALA 212 N 7.78 3.67 0.10 1.44 0.00 -1.26 -5.04 121.76 128.44 1ypi s ALA 212 Ca 0.58 -0.69 -0.02 0.00 0.00 0.00 0.00 51.96 51.82 1ypi s ALA 212 Cb -0.05 -1.92 0.01 0.00 0.00 0.00 0.00 23.12 21.15 1ypi s ALA 212 CO 0.00 0.45 0.16 0.27 0.00 0.00 0.00 175.76 176.64 1ypi n ASN 213 N 2.58 -0.47 0.06 0.00 0.23 -1.26 -4.76 115.26 111.64 1ypi n ASN 213 Ca -0.18 -1.45 -0.13 0.00 -0.53 0.00 0.00 54.58 52.29 1ypi n ASN 213 Cb 0.54 0.82 -0.07 0.00 -2.08 0.00 0.00 39.78 38.99 1ypi n ASN 213 CO 0.00 0.00 0.00 1.23 -0.93 0.00 0.00 177.26 177.56 1ypi h GLY 214 N 0.51 -0.74 1.18 4.83 0.00 -1.94 -1.71 103.07 105.19 1ypi h GLY 214 Ca -0.08 0.49 -0.01 0.00 0.00 0.00 0.00 47.33 47.74 1ypi h GLY 214 CO 0.10 -0.25 0.47 1.76 0.00 0.00 0.00 176.54 178.62 1ypi h SER 215 N -0.56 0.96 0.26 0.19 0.02 -1.97 -3.32 113.55 109.12 1ypi h SER 215 Ca 0.05 -0.06 -0.01 0.00 -0.84 0.00 0.00 61.79 60.93 1ypi h SER 215 Cb 0.64 -0.24 0.00 0.00 0.14 0.00 0.00 62.40 62.94 1ypi h SER 215 CO -0.31 0.74 -0.12 0.78 -1.14 0.00 0.00 176.83 176.78 1ypi h ASN 216 N 1.10 -0.29 -0.66 3.07 -0.26 -1.93 -3.42 115.58 113.18 1ypi h ASN 216 Ca 0.28 -0.21 0.28 0.00 -0.56 0.00 0.00 56.30 56.09 1ypi h ASN 216 Cb -0.03 0.08 -0.12 0.00 -1.06 0.00 0.00 38.32 37.19 1ypi h ASN 216 CO -0.05 0.20 0.36 0.00 -1.06 0.00 0.00 177.43 176.88 1ypi n ALA 217 N -2.61 0.68 0.13 -0.83 0.00 -0.66 0.17 120.51 117.39 1ypi n ALA 217 Ca -0.08 0.66 -0.01 0.00 0.00 0.00 0.00 53.44 54.01 1ypi n ALA 217 Cb 0.25 -0.66 0.21 0.00 0.00 0.00 0.00 19.45 19.24 1ypi n ALA 217 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 177.50 177.26 1ypi h VAL 218 N 0.00 1.38 -1.28 0.00 3.04 -1.81 -2.93 116.25 114.65 1ypi h VAL 218 Ca 0.55 -1.85 0.38 0.00 -1.01 0.00 0.00 66.70 64.77 1ypi h VAL 218 Cb 1.48 1.97 -0.09 0.00 -2.01 0.00 0.00 31.29 32.64 1ypi h VAL 218 CO -0.49 0.53 0.86 0.74 -1.01 0.00 0.00 177.57 178.20 1ypi h THR 219 N 0.05 0.29 -0.57 3.17 2.02 0.13 0.24 112.91 118.25 1ypi h THR 219 Ca -0.00 -0.05 0.00 0.00 0.77 0.00 0.00 66.41 67.13 1ypi h THR 219 Cb 0.97 0.13 0.00 0.00 -1.74 0.00 0.00 68.15 67.52 1ypi h THR 219 CO 0.07 0.03 0.00 0.49 0.37 0.00 0.00 175.52 176.48 1ypi n PHE 220 N -4.47 1.85 0.22 3.16 3.01 -1.11 -4.56 117.46 115.57 1ypi n PHE 220 Ca 0.32 -0.72 0.11 0.00 1.01 0.00 0.00 57.45 58.17 1ypi n PHE 220 Cb 1.29 -0.44 0.45 0.00 -0.01 0.00 0.00 39.48 40.77 1ypi n PHE 220 CO 0.00 0.00 0.00 1.57 1.01 0.00 0.00 176.76 179.34 1ypi h LYS 221 N 3.83 0.00 -0.49 -1.08 2.10 -0.64 -3.25 116.57 117.04 1ypi h LYS 221 Ca 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 1ypi h LYS 221 Cb 1.82 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 33.15 1ypi h LYS 221 CO 0.41 0.20 0.00 -0.25 -2.00 0.00 0.00 179.45 177.81 1ypi n ASP 222 N -3.33 3.98 -4.52 7.07 8.00 -1.26 -4.89 116.55 121.60 1ypi n ASP 222 Ca 0.00 -2.39 -0.42 0.00 0.71 0.00 0.00 54.79 52.70 1ypi n ASP 222 Cb 0.43 -0.46 -0.09 0.00 -0.02 0.00 0.00 41.12 40.99 1ypi n ASP 222 CO 0.00 0.00 0.00 -0.54 -0.39 0.00 0.00 177.20 176.27 1ypi s LYS 223 N -1.72 3.35 0.41 -1.24 -0.14 -1.23 -4.96 119.74 114.21 1ypi s LYS 223 Ca 0.41 -0.53 0.29 0.00 -1.36 0.00 0.00 55.97 54.78 1ypi s LYS 223 Cb 0.26 -3.89 1.31 0.00 -1.68 0.00 0.00 37.83 33.84 1ypi s LYS 223 CO 0.20 -0.72 1.87 0.00 -0.76 0.00 0.00 175.35 175.93 1ypi h ALA 224 N 8.61 1.00 -0.34 5.17 0.00 -1.91 -2.47 119.26 129.32 1ypi h ALA 224 Ca -0.28 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.63 1ypi h ALA 224 Cb 1.12 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.91 1ypi h ALA 224 CO 0.76 0.00 0.00 -0.25 0.00 0.00 0.00 179.25 179.76 1ypi n ASP 225 N -2.60 3.41 -4.24 0.00 8.00 -1.26 -4.83 116.55 115.03 1ypi n ASP 225 Ca 0.00 -2.40 -0.37 0.00 0.71 0.00 0.00 54.79 52.73 1ypi n ASP 225 Cb 0.20 -0.37 -0.12 0.00 -0.02 0.00 0.00 41.12 40.81 1ypi n ASP 225 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 1ypi s VAL 226 N -1.73 3.66 -2.00 2.53 1.01 -0.93 -4.66 120.40 118.27 1ypi s VAL 226 Ca 0.32 -1.31 0.25 0.00 0.00 0.00 0.00 61.98 61.25 1ypi s VAL 226 Cb 0.22 -3.14 0.22 0.00 0.00 0.00 0.00 36.38 33.68 1ypi s VAL 226 CO 0.14 -0.26 1.44 0.47 0.00 0.00 0.00 175.10 176.89 1ypi n ASP 227 N 4.77 1.48 0.00 3.32 10.43 -0.76 -4.88 116.55 130.91 1ypi n ASP 227 Ca -0.11 -1.21 0.00 0.00 2.57 0.00 0.00 54.79 56.04 1ypi n ASP 227 Cb 0.44 0.20 0.00 0.00 1.84 0.00 0.00 41.12 43.60 1ypi n ASP 227 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 1ypi n GLY 228 N 1.34 -0.36 3.11 0.44 0.00 -1.25 -1.60 105.19 106.87 1ypi n GLY 228 Ca 0.12 -1.13 -0.11 0.00 0.00 0.00 0.00 46.02 44.91 1ypi n GLY 228 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1ypi s PHE 229 N -3.17 0.08 -0.36 1.61 0.08 -0.51 -0.33 117.98 115.38 1ypi s PHE 229 Ca 0.00 -0.22 0.03 0.00 0.12 0.00 0.00 56.93 56.86 1ypi s PHE 229 Cb 0.00 -0.07 0.10 0.00 -0.57 0.00 0.00 43.02 42.49 1ypi s PHE 229 CO 0.00 -0.31 0.08 -1.17 -0.10 0.00 0.00 175.22 173.72 1ypi s LEU 230 N -1.59 4.40 0.26 -0.37 1.98 -0.53 0.15 118.68 122.98 1ypi s LEU 230 Ca -0.12 -2.20 -0.10 0.00 -2.89 0.00 0.00 54.13 48.82 1ypi s LEU 230 Cb -0.06 -1.53 -0.07 0.00 0.66 0.00 0.00 46.19 45.18 1ypi s LEU 230 CO -0.00 -0.37 0.59 -0.69 -1.89 0.00 0.00 176.35 174.00 1ypi s VAL 231 N 0.85 4.89 0.00 1.68 1.01 0.09 -4.41 120.40 124.52 1ypi s VAL 231 Ca 0.12 0.51 0.00 0.00 0.00 0.00 0.00 61.98 62.61 1ypi s VAL 231 Cb -0.20 -3.63 0.00 0.00 0.00 0.00 0.00 36.38 32.55 1ypi s VAL 231 CO -0.09 -0.14 0.00 0.61 0.00 0.00 0.00 175.10 175.48 1ypi n GLY 232 N -0.33 0.65 0.29 4.51 0.00 -1.26 -0.76 105.19 108.30 1ypi n GLY 232 Ca 0.01 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.11 1ypi n GLY 232 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1ypi h GLY 233 N 0.00 1.04 2.00 -0.02 0.00 -1.92 -0.74 103.07 103.42 1ypi h GLY 233 Ca 0.00 0.07 0.00 0.00 0.00 0.00 0.00 47.33 47.40 1ypi h GLY 233 CO 0.00 -0.34 0.00 0.00 0.00 0.00 0.00 176.54 176.20 1ypi n ALA 234 N -2.90 1.16 0.49 3.60 0.00 -1.26 -2.29 120.51 119.30 1ypi n ALA 234 Ca 0.17 0.04 0.13 0.00 0.00 0.00 0.00 53.44 53.77 1ypi n ALA 234 Cb 0.57 -1.12 0.30 0.00 0.00 0.00 0.00 19.45 19.19 1ypi n ALA 234 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 1ypi h SER 235 N 0.00 0.00 -0.58 0.00 4.64 -1.44 -3.08 113.55 113.09 1ypi h SER 235 Ca 0.00 -0.03 0.00 0.00 -0.47 0.00 0.00 61.79 61.29 1ypi h SER 235 Cb 0.06 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.15 1ypi h SER 235 CO 0.00 0.01 0.00 0.18 -0.87 0.00 0.00 176.83 176.15 1ypi n LEU 236 N -2.48 3.46 -4.39 5.97 4.77 -0.97 -4.91 117.00 118.44 1ypi n LEU 236 Ca 0.05 -1.74 -0.19 0.00 -0.03 0.00 0.00 56.01 54.10 1ypi n LEU 236 Cb 0.46 -0.44 -0.10 0.00 -2.33 0.00 0.00 43.42 41.01 1ypi n LEU 236 CO 0.32 0.76 -0.29 -0.54 -1.33 0.00 0.00 177.39 176.32 1ypi s LYS 237 N -1.39 1.52 0.30 3.23 1.02 -1.19 -5.02 119.74 118.21 1ypi s LYS 237 Ca 0.41 -1.82 0.09 0.00 0.02 0.00 0.00 55.97 54.67 1ypi s LYS 237 Cb 0.23 -0.71 0.47 0.00 -0.52 0.00 0.00 37.83 37.30 1ypi s LYS 237 CO 0.25 -0.17 1.69 -1.00 -0.92 0.00 0.00 175.35 175.20 1ypi h PRO 238 N 2.26 0.11 0.00 -1.68 0.14 -1.92 -2.83 132.00 128.09 1ypi h PRO 238 Ca -0.40 -0.06 0.00 0.00 0.14 0.00 0.00 66.00 65.68 1ypi h PRO 238 Cb 1.24 0.00 0.00 0.00 0.14 0.00 0.00 31.00 32.38 1ypi h PRO 238 CO 0.67 0.57 0.38 1.05 0.14 0.00 0.00 178.00 180.81 1ypi h GLU 239 N 0.09 0.00 -0.91 0.86 4.11 -1.98 -2.32 114.58 114.43 1ypi h GLU 239 Ca 0.00 0.00 0.23 0.00 0.07 0.00 0.00 59.36 59.66 1ypi h GLU 239 Cb 0.89 0.00 -0.13 0.00 0.50 0.00 0.00 28.75 30.01 1ypi h GLU 239 CO 0.07 0.00 0.41 0.35 0.07 0.00 0.00 179.01 179.91 1ypi h PHE 240 N 0.00 0.69 0.00 2.06 3.57 -1.42 0.26 116.94 122.10 1ypi h PHE 240 Ca 0.00 0.04 -0.11 0.00 3.53 0.00 0.00 57.97 61.43 1ypi h PHE 240 Cb 0.77 -0.16 -0.02 0.00 2.79 0.00 0.00 35.95 39.33 1ypi h PHE 240 CO 0.00 -0.05 -0.54 -0.39 -2.23 0.00 0.00 178.31 175.10 1ypi h VAL 241 N 0.40 1.22 -0.15 1.41 -1.51 -1.67 -2.42 116.25 113.53 1ypi h VAL 241 Ca 0.58 -1.97 -0.10 0.00 -1.23 0.00 0.00 66.70 63.97 1ypi h VAL 241 Cb 1.11 2.11 -0.01 0.00 -2.13 0.00 0.00 31.29 32.38 1ypi h VAL 241 CO -0.53 0.53 -0.37 0.44 -1.23 0.00 0.00 177.57 176.41 1ypi h ASP 242 N 0.00 0.33 -0.05 4.19 3.45 -0.63 -2.06 116.42 121.65 1ypi h ASP 242 Ca -0.01 -0.13 -0.01 0.00 0.43 0.00 0.00 57.03 57.32 1ypi h ASP 242 Cb 1.07 -0.09 -0.00 0.00 -0.56 0.00 0.00 39.33 39.75 1ypi h ASP 242 CO 0.07 0.67 0.01 0.40 -1.57 0.00 0.00 179.24 178.82 1ypi h ILE 243 N 0.27 1.23 -0.24 0.35 2.04 -1.31 -1.84 117.51 118.00 1ypi h ILE 243 Ca 0.03 -0.69 0.05 0.00 1.00 0.00 0.00 64.86 65.25 1ypi h ILE 243 Cb 0.77 1.59 -0.01 0.00 -0.74 0.00 0.00 36.82 38.43 1ypi h ILE 243 CO 0.06 0.19 0.17 0.40 0.00 0.00 0.00 178.15 178.97 1ypi h ILE 244 N -0.17 0.94 -0.69 -0.67 2.04 -1.11 -1.20 117.51 116.67 1ypi h ILE 244 Ca 0.02 -0.04 0.00 0.00 1.00 0.00 0.00 64.86 65.83 1ypi h ILE 244 Cb 0.29 0.81 0.00 0.00 -0.74 0.00 0.00 36.82 37.19 1ypi h ILE 244 CO 0.00 0.02 0.00 0.59 0.00 0.00 0.00 178.15 178.76 1ypi n ASN 245 N -4.49 4.58 0.12 1.72 3.02 -0.80 -4.54 115.26 114.87 1ypi n ASN 245 Ca 0.02 -2.32 0.09 0.00 -0.03 0.00 0.00 54.58 52.35 1ypi n ASN 245 Cb 0.23 -0.56 0.46 0.00 -0.61 0.00 0.00 39.78 39.31 1ypi n ASN 245 CO 0.00 0.00 0.00 -1.54 -2.62 0.00 0.00 177.26 173.10 1ypi n SER 246 N 1.31 0.46 -0.07 6.41 3.41 -0.45 -2.97 113.62 121.71 1ypi n SER 246 Ca 0.26 0.70 -0.07 0.00 -0.26 0.00 0.00 58.87 59.49 1ypi n SER 246 Cb 0.82 -0.76 -0.03 0.00 -0.26 0.00 0.00 64.21 63.98 1ypi n SER 246 CO 0.00 0.00 0.00 0.03 -0.16 0.00 0.00 175.04 174.91 1ypi h ARG 247 N 0.00 0.00 0.00 4.33 3.08 -1.81 -3.42 114.38 116.56 1ypi h ARG 247 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 1ypi h ARG 247 Cb 0.06 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.11 1ypi h ARG 247 CO 0.00 0.15 0.00 0.09 -1.07 0.00 0.00 179.97 179.14