#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ypi n ARG 3 N 0.00 -0.56 -2.88 0.00 1.74 -1.26 -5.03 116.66 108.66 1ypi n ARG 3 Ca 0.00 0.90 -0.41 0.00 -0.77 0.00 0.00 57.85 57.57 1ypi n ARG 3 Cb 0.00 -2.89 -0.04 0.00 -1.02 0.00 0.00 32.46 28.51 1ypi n ARG 3 CO 0.00 0.00 0.00 -0.08 -1.52 0.00 0.00 177.63 176.03 1ypi s THR 4 N -2.47 4.91 0.12 0.55 -1.32 -1.26 -4.99 115.64 111.19 1ypi s THR 4 Ca 0.03 1.68 -0.35 0.00 -1.21 0.00 0.00 61.69 61.84 1ypi s THR 4 Cb -0.01 -4.15 -0.17 0.00 -1.51 0.00 0.00 72.50 66.66 1ypi s THR 4 CO 0.25 0.10 1.18 0.33 -2.21 0.00 0.00 174.62 174.27 1ypi n PHE 5 N 4.69 1.21 -4.74 9.09 7.35 -1.26 -4.78 117.46 129.01 1ypi n PHE 5 Ca 0.04 0.72 -0.24 0.00 -0.76 0.00 0.00 57.45 57.21 1ypi n PHE 5 Cb 0.50 -2.26 -0.16 0.00 0.35 0.00 0.00 39.48 37.91 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 0.02 1.50 -0.16 -5.13 2.19 -0.91 -0.83 117.98 114.66 1ypi s PHE 6 Ca 0.79 -0.38 -0.02 0.00 0.33 0.00 0.00 56.93 57.64 1ypi s PHE 6 Cb -0.94 -1.01 0.05 0.00 -1.31 0.00 0.00 43.02 39.81 1ypi s PHE 6 CO 0.51 -0.11 0.03 0.54 1.83 0.00 0.00 175.22 178.02 1ypi s VAL 7 N -0.07 0.48 -0.11 3.12 0.11 -0.11 -1.24 120.40 122.58 1ypi s VAL 7 Ca -0.00 -0.37 -0.05 0.00 -2.93 0.00 0.00 61.98 58.63 1ypi s VAL 7 Cb -0.09 -0.89 -0.04 0.00 -1.53 0.00 0.00 36.38 33.83 1ypi s VAL 7 CO 0.01 -0.08 0.07 -0.83 -3.33 0.00 0.00 175.10 170.95 1ypi s GLY 8 N 1.89 2.00 -0.23 6.54 0.00 0.89 -1.69 107.32 116.73 1ypi s GLY 8 Ca 0.01 -0.72 0.01 0.00 0.00 0.00 0.00 44.72 44.02 1ypi s GLY 8 CO -0.07 -0.45 -0.12 -0.32 0.00 0.00 0.00 173.10 172.13 1ypi s GLY 9 N -0.90 1.57 -0.40 0.20 0.00 -0.19 -0.33 107.32 107.26 1ypi s GLY 9 Ca 0.14 -1.52 -0.19 0.00 0.00 0.00 0.00 44.72 43.15 1ypi s GLY 9 CO 0.03 0.49 0.53 0.21 0.00 0.00 0.00 173.10 174.36 1ypi s ASN 10 N 1.22 6.28 0.13 1.64 2.47 0.46 0.75 114.94 127.89 1ypi s ASN 10 Ca -0.02 -0.36 0.27 0.00 0.42 0.00 0.00 52.86 53.17 1ypi s ASN 10 Cb -0.17 -2.27 0.96 0.00 -1.45 0.00 0.00 41.25 38.32 1ypi s ASN 10 CO -0.07 -0.62 1.82 0.49 -3.72 0.00 0.00 177.10 175.00 1ypi n PHE 11 N 5.87 0.58 -4.99 0.43 0.99 -0.51 -4.36 117.46 115.47 1ypi n PHE 11 Ca -0.05 0.17 0.00 0.00 -0.00 0.00 0.00 57.45 57.58 1ypi n PHE 11 Cb 0.48 -0.78 0.00 0.00 -1.00 0.00 0.00 39.48 38.18 1ypi n PHE 11 CO 0.00 0.00 0.00 1.63 -0.00 0.00 0.00 176.76 178.39 1ypi n LYS 12 N -1.97 0.00 -2.68 -1.08 5.02 -1.26 -3.58 118.16 112.61 1ypi n LYS 12 Ca 0.06 0.00 -0.43 0.00 -2.02 0.00 0.00 58.31 55.92 1ypi n LYS 12 Cb 0.38 0.00 -0.01 0.00 -0.02 0.00 0.00 35.03 35.38 1ypi n LYS 12 CO 0.00 0.00 0.00 -1.17 -0.52 0.00 0.00 177.40 175.71 1ypi s LEU 13 N 0.00 4.13 0.02 -0.35 2.96 -1.26 -4.51 118.68 119.67 1ypi s LEU 13 Ca 0.00 -2.39 -0.28 0.00 -0.22 0.00 0.00 54.13 51.24 1ypi s LEU 13 Cb 0.00 -2.53 0.07 0.00 0.50 0.00 0.00 46.19 44.23 1ypi s LEU 13 CO 0.00 -1.12 0.66 0.20 -1.32 0.00 0.00 176.35 174.77 1ypi s ASN 14 N 4.00 -0.62 0.00 3.68 0.01 -1.23 -5.14 114.94 115.63 1ypi s ASN 14 Ca 0.49 0.47 0.00 0.00 -0.71 0.00 0.00 52.86 53.11 1ypi s ASN 14 Cb 0.01 0.55 0.00 0.00 0.41 0.00 0.00 41.25 42.23 1ypi s ASN 14 CO 0.02 -0.72 0.00 0.61 -1.51 0.00 0.00 177.10 175.50 1ypi n GLY 15 N 0.47 3.08 3.39 0.66 0.00 -1.26 -4.63 105.19 106.90 1ypi n GLY 15 Ca -0.18 -1.89 -0.22 0.00 0.00 0.00 0.00 46.02 43.73 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 2.09 0.06 1.61 1.04 -1.26 -4.98 113.70 112.26 1ypi s SER 16 Ca 0.00 -1.69 -0.26 0.00 0.48 0.00 0.00 55.95 54.48 1ypi s SER 16 Cb 0.00 0.52 -0.17 0.00 0.10 0.00 0.00 66.02 66.47 1ypi s SER 16 CO 0.00 -0.98 1.60 0.11 0.98 0.00 0.00 173.24 174.95 1ypi h LYS 17 N 2.01 -0.30 -0.33 4.02 1.57 -2.01 0.09 116.57 121.61 1ypi h LYS 17 Ca -0.31 0.02 0.06 0.00 -1.87 0.00 0.00 60.65 58.55 1ypi h LYS 17 Cb 1.25 0.07 -0.08 0.00 0.08 0.00 0.00 32.23 33.55 1ypi h LYS 17 CO 0.47 -0.13 -0.45 0.37 -0.57 0.00 0.00 179.45 179.14 1ypi h GLN 18 N -0.40 -0.37 0.00 3.15 5.75 -1.99 -1.85 115.11 119.39 1ypi h GLN 18 Ca -0.03 0.03 -0.13 0.00 -0.15 0.00 0.00 58.65 58.36 1ypi h GLN 18 Cb 0.31 0.08 -0.02 0.00 1.07 0.00 0.00 27.48 28.92 1ypi h GLN 18 CO 0.05 -0.25 -0.64 0.66 -2.65 0.00 0.00 178.83 176.01 1ypi h SER 19 N -0.39 0.00 0.75 -0.69 4.64 -1.92 -2.35 113.55 113.59 1ypi h SER 19 Ca 0.11 0.00 -0.07 0.00 -0.47 0.00 0.00 61.79 61.36 1ypi h SER 19 Cb 0.60 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.68 1ypi h SER 19 CO -0.53 0.64 -0.35 0.16 -0.87 0.00 0.00 176.83 175.88 1ypi h ILE 20 N 0.00 0.88 0.31 0.95 -0.00 -0.64 -1.89 117.51 117.11 1ypi h ILE 20 Ca -0.01 -1.40 -0.02 0.00 -0.00 0.00 0.00 64.86 63.44 1ypi h ILE 20 Cb 1.15 1.85 0.00 0.00 -0.00 0.00 0.00 36.82 39.82 1ypi h ILE 20 CO 0.08 0.34 -0.15 0.50 -0.00 0.00 0.00 178.15 178.92 1ypi h LYS 21 N 0.00 -0.40 -0.16 0.16 3.64 -1.08 -2.08 116.57 116.66 1ypi h LYS 21 Ca -0.00 0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.40 1ypi h LYS 21 Cb 0.82 0.09 -0.01 0.00 -0.41 0.00 0.00 32.23 32.72 1ypi h LYS 21 CO 0.05 -0.13 0.10 0.93 -2.27 0.00 0.00 179.45 178.12 1ypi h GLU 22 N -0.63 0.21 0.01 1.90 5.08 -1.10 0.20 114.58 120.24 1ypi h GLU 22 Ca -0.04 -0.01 -0.21 0.00 -1.00 0.00 0.00 59.36 58.09 1ypi h GLU 22 Cb 0.45 -0.05 -0.01 0.00 0.50 0.00 0.00 28.75 29.65 1ypi h GLU 22 CO 0.07 0.14 -0.92 0.97 -1.00 0.00 0.00 179.01 178.27 1ypi h ILE 23 N 0.21 1.47 0.12 3.13 2.10 -0.79 -2.71 117.51 121.05 1ypi h ILE 23 Ca 0.06 -2.62 -0.01 0.00 1.08 0.00 0.00 64.86 63.37 1ypi h ILE 23 Cb -0.01 2.49 0.00 0.00 -1.09 0.00 0.00 36.82 38.21 1ypi h ILE 23 CO -0.01 0.77 -0.06 0.58 -1.08 0.00 0.00 178.15 178.35 1ypi h VAL 24 N 0.14 1.06 -0.77 2.19 2.07 -0.92 -1.86 116.25 118.15 1ypi h VAL 24 Ca -0.06 -0.80 0.17 0.00 0.82 0.00 0.00 66.70 66.83 1ypi h VAL 24 Cb 1.56 1.56 -0.11 0.00 -1.52 0.00 0.00 31.29 32.78 1ypi h VAL 24 CO 0.15 0.19 0.22 -0.33 0.02 0.00 0.00 177.57 177.82 1ypi h GLU 25 N -0.54 0.29 -0.99 1.57 5.08 -1.05 0.72 114.58 119.66 1ypi h GLU 25 Ca -0.02 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.33 1ypi h GLU 25 Cb 0.43 -0.07 -0.05 0.00 0.50 0.00 0.00 28.75 29.57 1ypi h GLU 25 CO 0.03 0.19 0.64 -0.09 -1.00 0.00 0.00 179.01 178.77 1ypi h ARG 26 N 0.30 1.32 -0.30 2.33 2.43 -1.27 -1.22 114.38 117.96 1ypi h ARG 26 Ca 0.45 -0.09 -0.12 0.00 -0.81 0.00 0.00 59.98 59.40 1ypi h ARG 26 Cb 0.78 -0.29 -0.01 0.00 -0.42 0.00 0.00 29.97 30.03 1ypi h ARG 26 CO -0.52 0.89 -0.27 1.25 -1.51 0.00 0.00 179.97 179.81 1ypi h LEU 27 N 1.35 0.77 -0.05 3.80 5.85 0.10 0.22 115.31 127.36 1ypi h LEU 27 Ca 0.36 -0.46 0.03 0.00 0.84 0.00 0.00 57.88 58.65 1ypi h LEU 27 Cb -0.12 -0.22 -0.04 0.00 0.37 0.00 0.00 40.66 40.65 1ypi h LEU 27 CO -0.07 1.07 -0.18 0.78 -0.34 0.00 0.00 178.44 179.70 1ypi h ASN 28 N 0.48 -0.53 1.66 1.25 -0.26 0.41 -3.04 115.58 115.56 1ypi h ASN 28 Ca 0.05 0.08 -0.02 0.00 -0.56 0.00 0.00 56.30 55.86 1ypi h ASN 28 Cb 0.84 0.23 -0.00 0.00 -1.06 0.00 0.00 38.32 38.33 1ypi h ASN 28 CO 0.07 -0.23 -0.34 0.00 -1.06 0.00 0.00 177.43 175.86 1ypi h THR 29 N -0.26 0.13 -4.02 2.81 1.03 -1.13 -3.48 112.91 107.99 1ypi h THR 29 Ca 0.07 -1.19 -0.54 0.00 -0.01 0.00 0.00 66.41 64.74 1ypi h THR 29 Cb 0.36 1.94 0.11 0.00 -1.07 0.00 0.00 68.15 69.49 1ypi h THR 29 CO -0.20 0.07 0.60 0.00 -0.01 0.00 0.00 175.52 175.98 1ypi s ALA 30 N -3.20 2.97 -1.01 0.00 0.00 0.06 -4.95 121.76 115.62 1ypi s ALA 30 Ca 0.05 1.26 -0.12 0.00 0.00 0.00 0.00 51.96 53.14 1ypi s ALA 30 Cb 0.06 -3.52 0.23 0.00 0.00 0.00 0.00 23.12 19.90 1ypi s ALA 30 CO 0.71 -1.13 1.03 -1.12 0.00 0.00 0.00 175.76 175.25 1ypi s SER 31 N -0.94 7.04 0.11 0.00 0.01 -1.26 -4.98 113.70 113.67 1ypi s SER 31 Ca 0.66 -3.08 0.06 0.00 1.31 0.00 0.00 55.95 54.90 1ypi s SER 31 Cb -0.38 -2.25 -0.04 0.00 0.21 0.00 0.00 66.02 63.56 1ypi s SER 31 CO 0.46 -0.50 -0.04 0.27 0.41 0.00 0.00 173.24 173.85 1ypi s ILE 32 N -0.12 3.75 1.15 1.44 -4.36 -1.26 -5.05 121.20 116.75 1ypi s ILE 32 Ca 0.28 -1.14 -0.17 0.00 -0.26 0.00 0.00 60.65 59.35 1ypi s ILE 32 Cb -0.09 -2.79 0.19 0.00 1.25 0.00 0.00 42.46 41.02 1ypi s ILE 32 CO -0.08 0.09 0.32 -2.65 0.24 0.00 0.00 174.94 172.86 1ypi n PRO 33 N 0.52 -2.39 -0.08 0.37 -0.01 -1.26 -5.03 135.00 127.13 1ypi n PRO 33 Ca -0.12 -0.69 -0.13 0.00 -0.01 0.00 0.00 63.50 62.55 1ypi n PRO 33 Cb 0.52 -1.71 -0.09 0.00 -0.01 0.00 0.00 33.50 32.22 1ypi n PRO 33 CO 0.00 0.00 0.00 1.49 -0.01 0.00 0.00 175.50 176.98 1ypi h GLU 34 N -2.56 0.00 -4.46 -0.52 4.57 -2.02 -3.41 114.58 106.18 1ypi h GLU 34 Ca -0.44 0.00 -0.70 0.00 -1.18 0.00 0.00 59.36 57.04 1ypi h GLU 34 Cb 1.18 0.00 -0.33 0.00 -0.16 0.00 0.00 28.75 29.44 1ypi h GLU 34 CO 0.31 0.69 -0.52 0.54 -1.18 0.00 0.00 179.01 178.85 1ypi s ASN 35 N -6.22 5.36 -0.26 1.04 4.22 -1.26 -4.91 114.94 112.90 1ypi s ASN 35 Ca -0.18 -1.92 -0.22 0.00 -2.14 0.00 0.00 52.86 48.41 1ypi s ASN 35 Cb 0.01 -1.87 0.07 0.00 1.28 0.00 0.00 41.25 40.74 1ypi s ASN 35 CO 0.48 -0.56 0.68 0.54 -2.04 0.00 0.00 177.10 176.20 1ypi s VAL 36 N 1.21 -0.00 -0.17 3.54 0.11 -1.26 -4.55 120.40 119.28 1ypi s VAL 36 Ca 0.07 0.00 -0.03 0.00 -2.93 0.00 0.00 61.98 59.09 1ypi s VAL 36 Cb -0.23 -0.96 -0.02 0.00 -1.53 0.00 0.00 36.38 33.64 1ypi s VAL 36 CO -0.03 0.00 -0.06 -0.70 -3.33 0.00 0.00 175.10 170.98 1ypi s GLU 37 N 0.69 3.48 -0.06 1.54 2.12 -0.01 -4.80 118.70 121.66 1ypi s GLU 37 Ca -0.03 -0.61 0.03 0.00 0.36 0.00 0.00 54.97 54.73 1ypi s GLU 37 Cb -0.05 -2.88 0.00 0.00 0.26 0.00 0.00 34.13 31.47 1ypi s GLU 37 CO -0.04 0.06 -0.16 0.08 -0.54 0.00 0.00 175.26 174.65 1ypi s VAL 38 N 0.80 1.43 -0.05 3.70 1.01 0.11 -0.93 120.40 126.47 1ypi s VAL 38 Ca -0.02 -0.68 0.03 0.00 0.00 0.00 0.00 61.98 61.31 1ypi s VAL 38 Cb -0.15 -1.25 0.01 0.00 0.00 0.00 0.00 36.38 34.99 1ypi s VAL 38 CO 0.01 0.42 -0.12 0.54 0.00 0.00 0.00 175.10 175.95 1ypi s VAL 39 N 0.33 1.10 -0.03 2.92 0.11 -0.68 0.33 120.40 124.47 1ypi s VAL 39 Ca -0.11 -0.50 -0.02 0.00 -2.93 0.00 0.00 61.98 58.42 1ypi s VAL 39 Cb -0.14 -0.98 -0.04 0.00 -1.53 0.00 0.00 36.38 33.69 1ypi s VAL 39 CO 0.04 0.34 0.11 0.27 -3.33 0.00 0.00 175.10 172.52 1ypi s ILE 40 N 0.36 4.98 -0.57 7.04 -4.36 -0.14 -1.02 121.20 127.50 1ypi s ILE 40 Ca -0.08 -0.23 0.04 0.00 -0.26 0.00 0.00 60.65 60.12 1ypi s ILE 40 Cb -0.12 -3.25 0.15 0.00 1.25 0.00 0.00 42.46 40.49 1ypi s ILE 40 CO 0.02 0.42 0.37 0.00 0.24 0.00 0.00 174.94 175.99 1ypi s PRO 42 N -0.63 0.99 0.38 0.00 0.04 -1.25 -1.42 135.00 133.10 1ypi s PRO 42 Ca 0.23 0.35 -0.27 0.00 0.04 0.00 0.00 61.00 61.35 1ypi s PRO 42 Cb -0.12 -1.82 -0.10 0.00 0.04 0.00 0.00 34.50 32.51 1ypi s PRO 42 CO -0.10 -2.32 1.34 -2.14 0.04 0.00 0.00 177.00 173.82 1ypi s PRO 43 N -5.20 4.11 0.38 0.56 0.02 -1.26 -4.36 135.00 129.25 1ypi s PRO 43 Ca 0.64 2.26 0.21 0.00 0.02 0.00 0.00 61.00 64.13 1ypi s PRO 43 Cb -0.16 -2.90 1.31 0.00 0.02 0.00 0.00 34.50 32.77 1ypi s PRO 43 CO 0.54 -0.41 1.61 0.00 -0.33 0.00 0.00 177.00 178.41 1ypi h ALA 44 N 2.96 2.24 -0.55 -1.55 0.00 -1.95 0.68 119.26 121.08 1ypi h ALA 44 Ca -0.50 0.22 0.16 0.00 0.00 0.00 0.00 54.91 54.79 1ypi h ALA 44 Cb 1.24 0.26 -0.02 0.00 0.00 0.00 0.00 17.79 19.27 1ypi h ALA 44 CO 0.64 -0.96 0.53 1.15 0.00 0.00 0.00 179.25 180.61 1ypi h THR 45 N 0.09 0.39 -0.06 0.00 2.02 -2.03 -2.62 112.91 110.71 1ypi h THR 45 Ca 0.82 0.00 0.00 0.00 0.77 0.00 0.00 66.41 68.00 1ypi h THR 45 Cb 2.19 0.59 0.00 0.00 -1.74 0.00 0.00 68.15 69.19 1ypi h THR 45 CO -0.66 0.00 0.00 -1.22 0.37 0.00 0.00 175.52 174.01 1ypi n TYR 46 N -3.81 0.15 -0.02 3.16 4.01 0.24 -4.76 117.16 116.12 1ypi n TYR 46 Ca 0.11 -0.79 -0.13 0.00 -0.16 0.00 0.00 57.90 56.93 1ypi n TYR 46 Cb 0.75 -0.13 -0.10 0.00 -0.31 0.00 0.00 39.34 39.55 1ypi n TYR 46 CO 0.00 0.00 0.00 -0.07 -0.46 0.00 0.00 176.86 176.33 1ypi h LEU 47 N 0.37 0.04 0.07 7.72 3.38 -1.46 -1.51 115.31 123.92 1ypi h LEU 47 Ca 0.00 -0.56 0.01 0.00 0.09 0.00 0.00 57.88 57.42 1ypi h LEU 47 Cb 0.87 -0.01 -0.05 0.00 0.09 0.00 0.00 40.66 41.57 1ypi h LEU 47 CO 0.03 0.59 -0.49 -0.78 0.09 0.00 0.00 178.44 177.88 1ypi h ASP 48 N -0.51 -1.48 -0.38 -0.43 -0.00 -1.83 -1.66 116.42 110.14 1ypi h ASP 48 Ca 0.00 0.16 0.07 0.00 -0.00 0.00 0.00 57.03 57.26 1ypi h ASP 48 Cb 0.58 0.55 -0.09 0.00 -0.00 0.00 0.00 39.33 40.38 1ypi h ASP 48 CO 0.00 -0.50 -0.35 0.22 -0.00 0.00 0.00 179.24 178.61 1ypi h TYR 49 N -0.66 -0.99 -0.60 0.28 3.20 -1.90 0.06 116.97 116.37 1ypi h TYR 49 Ca -0.00 0.06 0.09 0.00 3.14 0.00 0.00 58.73 62.02 1ypi h TYR 49 Cb 0.68 0.49 -0.07 0.00 1.54 0.00 0.00 36.73 39.37 1ypi h TYR 49 CO -0.47 -0.40 0.22 0.77 -1.64 0.00 0.00 178.16 176.65 1ypi h SER 50 N -0.29 0.22 -0.72 -2.11 0.02 -1.07 -2.54 113.55 107.07 1ypi h SER 50 Ca 0.16 0.08 0.01 0.00 -0.84 0.00 0.00 61.79 61.19 1ypi h SER 50 Cb 0.55 0.06 -0.04 0.00 0.14 0.00 0.00 62.40 63.11 1ypi h SER 50 CO -0.53 0.14 0.47 0.58 -1.14 0.00 0.00 176.83 176.35 1ypi h VAL 51 N 0.41 1.17 -0.87 2.27 2.07 -0.47 -1.75 116.25 119.08 1ypi h VAL 51 Ca 0.30 -0.33 0.08 0.00 0.82 0.00 0.00 66.70 67.57 1ypi h VAL 51 Cb 0.36 0.13 -0.06 0.00 -1.52 0.00 0.00 31.29 30.20 1ypi h VAL 51 CO -0.30 0.18 0.57 0.77 0.02 0.00 0.00 177.57 178.80 1ypi h SER 52 N 0.96 0.83 1.50 0.57 4.64 -0.61 -2.83 113.55 118.62 1ypi h SER 52 Ca 0.27 0.01 -0.03 0.00 -0.47 0.00 0.00 61.79 61.57 1ypi h SER 52 Cb -0.09 -0.16 -0.01 0.00 -0.31 0.00 0.00 62.40 61.83 1ypi h SER 52 CO -0.07 0.51 -0.51 -0.07 -0.87 0.00 0.00 176.83 175.83 1ypi h LEU 53 N 0.93 0.00 -9.86 5.97 4.07 -1.00 -3.47 115.31 111.95 1ypi h LEU 53 Ca 0.39 0.00 -0.48 0.00 0.08 0.00 0.00 57.88 57.86 1ypi h LEU 53 Cb 0.29 0.00 -0.00 0.00 1.08 0.00 0.00 40.66 42.03 1ypi h LEU 53 CO -0.15 0.14 0.40 0.68 -1.08 0.00 0.00 178.44 178.43 1ypi s VAL 54 N -3.18 3.88 -0.35 1.22 -7.23 -1.01 -4.85 120.40 108.86 1ypi s VAL 54 Ca 0.03 1.66 0.14 0.00 -1.81 0.00 0.00 61.98 62.00 1ypi s VAL 54 Cb 0.07 -3.97 0.39 0.00 0.56 0.00 0.00 36.38 33.43 1ypi s VAL 54 CO 0.73 0.22 0.80 0.29 -0.31 0.00 0.00 175.10 176.84 1ypi n LYS 55 N 0.71 1.03 -3.51 4.82 4.76 -1.26 -5.00 118.16 119.71 1ypi n LYS 55 Ca 0.01 -3.34 -0.06 0.00 -2.87 0.00 0.00 58.31 52.05 1ypi n LYS 55 Cb 0.48 -1.55 -0.07 0.00 -1.84 0.00 0.00 35.03 32.04 1ypi n LYS 55 CO 0.00 0.00 0.00 0.21 -1.37 0.00 0.00 177.40 176.24 1ypi s LYS 56 N -2.66 0.39 0.38 1.97 2.47 -1.26 -4.91 119.74 116.12 1ypi s LYS 56 Ca 0.36 0.94 0.17 0.00 -1.56 0.00 0.00 55.97 55.88 1ypi s LYS 56 Cb 0.39 0.19 1.09 0.00 -1.46 0.00 0.00 37.83 38.04 1ypi s LYS 56 CO -0.04 -0.40 1.73 -1.00 0.16 0.00 0.00 175.35 175.80 1ypi h PRO 57 N 8.13 0.38 0.00 4.03 0.13 -2.01 -2.59 132.00 140.07 1ypi h PRO 57 Ca -0.18 -0.02 -0.07 0.00 -0.87 0.00 0.00 66.00 64.86 1ypi h PRO 57 Cb 1.13 -0.09 -0.01 0.00 0.13 0.00 0.00 31.00 32.16 1ypi h PRO 57 CO 0.18 0.25 -0.32 1.96 -0.23 0.00 0.00 178.00 179.84 1ypi h GLN 58 N 0.39 0.00 -5.24 0.86 7.50 -1.91 -3.44 115.11 113.27 1ypi h GLN 58 Ca 0.65 0.00 -0.61 0.00 0.50 0.00 0.00 58.65 59.19 1ypi h GLN 58 Cb 1.59 0.00 -0.14 0.00 0.05 0.00 0.00 27.48 28.98 1ypi h GLN 58 CO -0.39 0.32 -0.52 0.14 -1.50 0.00 0.00 178.83 176.88 1ypi s VAL 59 N -3.75 5.14 0.47 -0.54 -7.23 -0.98 -0.71 120.40 112.80 1ypi s VAL 59 Ca -0.01 0.09 0.03 0.00 -1.81 0.00 0.00 61.98 60.29 1ypi s VAL 59 Cb 0.12 -3.35 -0.03 0.00 0.56 0.00 0.00 36.38 33.68 1ypi s VAL 59 CO 0.67 0.43 0.03 0.28 -0.31 0.00 0.00 175.10 176.20 1ypi s THR 60 N 0.50 1.22 0.05 5.32 -1.32 0.15 -4.73 115.64 116.84 1ypi s THR 60 Ca 0.06 -2.00 0.06 0.00 -1.21 0.00 0.00 61.69 58.60 1ypi s THR 60 Cb -0.12 -2.37 -0.02 0.00 -1.51 0.00 0.00 72.50 68.48 1ypi s THR 60 CO -0.00 0.00 -0.16 0.54 -2.21 0.00 0.00 174.62 172.79 1ypi s VAL 61 N -2.92 1.28 0.16 5.08 0.11 -1.26 -0.96 120.40 121.89 1ypi s VAL 61 Ca 0.15 -1.12 0.03 0.00 -2.93 0.00 0.00 61.98 58.10 1ypi s VAL 61 Cb 0.04 -1.15 -0.05 0.00 -1.53 0.00 0.00 36.38 33.69 1ypi s VAL 61 CO 0.08 0.01 -0.03 -0.83 -3.33 0.00 0.00 175.10 171.00 1ypi s GLY 62 N -1.29 1.15 0.46 6.54 0.00 -0.71 0.38 107.32 113.85 1ypi s GLY 62 Ca 0.03 -1.55 0.00 0.00 0.00 0.00 0.00 44.72 43.20 1ypi s GLY 62 CO 0.02 -1.55 0.68 0.00 0.00 0.00 0.00 173.10 172.25 1ypi s ALA 63 N -3.55 3.77 -1.20 3.20 0.00 -0.65 -3.78 121.76 119.55 1ypi s ALA 63 Ca 0.21 -1.08 0.23 0.00 0.00 0.00 0.00 51.96 51.32 1ypi s ALA 63 Cb 0.05 -2.13 0.19 0.00 0.00 0.00 0.00 23.12 21.23 1ypi s ALA 63 CO 0.02 -0.40 1.20 1.04 0.00 0.00 0.00 175.76 177.61 1ypi n GLN 64 N -2.10 0.23 0.00 0.00 6.02 -1.26 -0.74 117.38 119.53 1ypi n GLN 64 Ca 0.02 -0.16 0.00 0.00 -0.01 0.00 0.00 57.00 56.84 1ypi n GLN 64 Cb 0.58 -1.50 0.00 0.00 1.02 0.00 0.00 30.24 30.34 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 -1.24 0.00 -3.84 1.08 5.15 -1.21 -4.54 115.26 110.66 1ypi n ASN 65 Ca 0.06 0.00 -0.09 0.00 -0.60 0.00 0.00 54.58 53.95 1ypi n ASN 65 Cb 0.35 0.00 -0.07 0.00 -0.53 0.00 0.00 39.78 39.53 1ypi n ASN 65 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1ypi s ALA 66 N -2.00 -0.32 1.02 5.20 0.00 -1.26 -4.66 121.76 119.73 1ypi s ALA 66 Ca 0.00 -0.57 -0.17 0.00 0.00 0.00 0.00 51.96 51.21 1ypi s ALA 66 Cb 0.00 0.64 0.23 0.00 0.00 0.00 0.00 23.12 23.99 1ypi s ALA 66 CO 0.00 -0.58 1.33 0.98 0.00 0.00 0.00 175.76 177.48 1ypi n TYR 67 N -0.14 -3.99 -1.08 0.00 9.36 0.23 -4.89 117.16 116.64 1ypi n TYR 67 Ca -0.13 -1.17 -0.08 0.00 3.32 0.00 0.00 57.90 59.84 1ypi n TYR 67 Cb 0.63 -1.04 0.29 0.00 -0.63 0.00 0.00 39.34 38.58 1ypi n TYR 67 CO 0.00 0.00 0.00 1.47 0.22 0.00 0.00 176.86 178.55 1ypi n LEU 68 N 0.00 6.06 -3.80 2.98 -0.00 -1.26 -4.76 117.00 116.21 1ypi n LEU 68 Ca 0.17 -3.29 -0.12 0.00 -0.00 0.00 0.00 56.01 52.77 1ypi n LEU 68 Cb 0.58 -0.75 -0.09 0.00 -0.00 0.00 0.00 43.42 43.16 1ypi n LEU 68 CO 0.42 0.85 -0.06 -0.54 -0.00 0.00 0.00 177.39 178.06 1ypi s LYS 69 N -3.04 0.55 0.06 1.47 1.02 -1.26 -4.95 119.74 113.60 1ypi s LYS 69 Ca 0.55 -0.19 0.07 0.00 0.02 0.00 0.00 55.97 56.42 1ypi s LYS 69 Cb 0.44 0.24 -0.23 0.00 -0.52 0.00 0.00 37.83 37.77 1ypi s LYS 69 CO 0.13 -0.14 1.06 0.00 -0.92 0.00 0.00 175.35 175.48 1ypi h ALA 70 N 4.28 0.44 -2.94 5.17 0.00 -1.96 -3.42 119.26 120.83 1ypi h ALA 70 Ca -0.30 -1.08 -0.07 0.00 0.00 0.00 0.00 54.91 53.46 1ypi h ALA 70 Cb 1.18 0.07 -0.05 0.00 0.00 0.00 0.00 17.79 19.00 1ypi h ALA 70 CO 0.39 1.31 0.06 -1.54 0.00 0.00 0.00 179.25 179.48 1ypi s SER 71 N -6.60 0.15 0.00 0.00 1.04 -1.26 -4.74 113.70 102.29 1ypi s SER 71 Ca -0.02 -1.07 0.00 0.00 0.48 0.00 0.00 55.95 55.34 1ypi s SER 71 Cb 0.09 0.72 0.00 0.00 0.10 0.00 0.00 66.02 66.93 1ypi s SER 71 CO 0.83 -1.40 0.00 0.61 0.98 0.00 0.00 173.24 174.26 1ypi n GLY 72 N -0.49 0.72 3.34 7.32 0.00 -1.26 -4.95 105.19 109.86 1ypi n GLY 72 Ca -0.04 -2.09 -0.45 0.00 0.00 0.00 0.00 46.02 43.44 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 4.25 -3.23 4.61 0.00 -1.26 -4.77 120.51 119.11 1ypi n ALA 73 Ca 0.00 -4.67 -0.25 0.00 0.00 0.00 0.00 53.44 48.53 1ypi n ALA 73 Cb 0.00 -2.47 -0.08 0.00 0.00 0.00 0.00 19.45 16.91 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 2.70 -0.44 -1.98 0.00 3.01 -1.26 -5.12 117.46 114.37 1ypi n PHE 74 Ca 0.24 -3.52 -0.41 0.00 1.01 0.00 0.00 57.45 54.77 1ypi n PHE 74 Cb 0.39 -0.24 -0.01 0.00 -0.01 0.00 0.00 39.48 39.61 1ypi n PHE 74 CO 0.00 0.00 0.00 -0.08 1.01 0.00 0.00 176.76 177.69 1ypi s THR 75 N -0.97 2.44 0.00 4.37 -1.32 -1.26 -2.87 115.64 116.03 1ypi s THR 75 Ca 0.35 0.44 0.00 0.00 -1.21 0.00 0.00 61.69 61.27 1ypi s THR 75 Cb 0.15 -3.28 0.00 0.00 -1.51 0.00 0.00 72.50 67.86 1ypi s THR 75 CO -0.13 0.10 0.00 0.61 -2.21 0.00 0.00 174.62 173.00 1ypi n GLY 76 N 0.82 1.17 3.94 6.08 0.00 -1.26 -5.04 105.19 110.90 1ypi n GLY 76 Ca 0.01 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.79 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 -0.59 2.36 0.05 1.61 0.41 -1.14 -5.11 118.70 116.29 1ypi s GLU 77 Ca 0.00 -0.40 0.06 0.00 -0.41 0.00 0.00 54.97 54.23 1ypi s GLU 77 Cb 0.00 -2.27 -0.03 0.00 -1.78 0.00 0.00 34.13 30.04 1ypi s GLU 77 CO 0.00 -1.04 -0.14 -0.80 -0.49 0.00 0.00 175.26 172.79 1ypi s ASN 78 N -4.47 4.07 -0.10 -0.19 0.01 -1.26 -4.97 114.94 108.02 1ypi s ASN 78 Ca 0.59 -0.37 0.00 0.00 -0.71 0.00 0.00 52.86 52.37 1ypi s ASN 78 Cb -0.11 -0.74 -0.02 0.00 0.41 0.00 0.00 41.25 40.79 1ypi s ASN 78 CO 0.43 0.24 -0.11 -0.55 -1.51 0.00 0.00 177.10 175.60 1ypi s SER 79 N -1.60 4.25 0.41 -1.22 0.15 -1.26 0.78 113.70 115.21 1ypi s SER 79 Ca 0.16 -0.21 0.17 0.00 0.70 0.00 0.00 55.95 56.77 1ypi s SER 79 Cb -0.11 -1.37 0.89 0.00 -1.71 0.00 0.00 66.02 63.72 1ypi s SER 79 CO 0.07 0.25 1.88 -0.37 1.20 0.00 0.00 173.24 176.27 1ypi h VAL 80 N 4.90 1.06 -0.23 4.45 -1.51 -1.86 -2.37 116.25 120.69 1ypi h VAL 80 Ca -0.36 -1.09 -0.17 0.00 -1.23 0.00 0.00 66.70 63.85 1ypi h VAL 80 Cb 1.19 1.61 -0.00 0.00 -2.13 0.00 0.00 31.29 31.96 1ypi h VAL 80 CO 0.55 0.30 -0.55 0.44 -1.23 0.00 0.00 177.57 177.08 1ypi h ASP 81 N 0.00 0.77 1.43 4.19 3.45 -1.93 -2.22 116.42 122.11 1ypi h ASP 81 Ca -0.00 -0.41 -0.10 0.00 0.43 0.00 0.00 57.03 56.95 1ypi h ASP 81 Cb 0.59 -0.22 -0.01 0.00 -0.56 0.00 0.00 39.33 39.12 1ypi h ASP 81 CO 0.04 1.16 -0.46 0.06 -1.57 0.00 0.00 179.24 178.47 1ypi h GLN 82 N 0.53 0.00 -0.01 3.56 3.07 -1.77 -1.63 115.11 118.87 1ypi h GLN 82 Ca 0.01 0.00 -0.10 0.00 0.09 0.00 0.00 58.65 58.65 1ypi h GLN 82 Cb 1.12 0.00 -0.01 0.00 0.08 0.00 0.00 27.48 28.66 1ypi h GLN 82 CO 0.11 0.46 -0.46 0.82 0.09 0.00 0.00 178.83 179.86 1ypi h ILE 83 N 0.00 1.33 0.00 1.86 2.04 -1.31 -3.13 117.51 118.31 1ypi h ILE 83 Ca -0.00 -1.58 -0.02 0.00 1.00 0.00 0.00 64.86 64.25 1ypi h ILE 83 Cb 1.30 1.84 -0.00 0.00 -0.74 0.00 0.00 36.82 39.22 1ypi h ILE 83 CO 0.06 0.45 -0.12 0.11 0.00 0.00 0.00 178.15 178.66 1ypi h LYS 84 N 0.02 0.00 -0.89 2.37 1.57 -1.33 0.16 116.57 118.48 1ypi h LYS 84 Ca -0.00 0.00 0.17 0.00 -1.87 0.00 0.00 60.65 58.95 1ypi h LYS 84 Cb 0.82 0.00 -0.07 0.00 0.08 0.00 0.00 32.23 33.06 1ypi h LYS 84 CO 0.06 0.90 0.58 0.22 -0.57 0.00 0.00 179.45 180.64 1ypi h ASP 85 N -1.00 0.54 0.80 0.86 3.58 -1.35 0.29 116.42 120.14 1ypi h ASP 85 Ca -0.03 0.04 0.00 0.00 0.42 0.00 0.00 57.03 57.46 1ypi h ASP 85 Cb 0.93 -0.06 0.00 0.00 1.72 0.00 0.00 39.33 41.93 1ypi h ASP 85 CO -0.02 0.24 -0.63 0.52 -2.88 0.00 0.00 179.24 176.47 1ypi n VAL 86 N -4.55 0.30 0.00 2.25 0.31 -1.18 -4.96 118.33 110.50 1ypi n VAL 86 Ca 0.18 -0.24 0.00 0.00 -0.01 0.00 0.00 64.34 64.27 1ypi n VAL 86 Cb 0.58 -0.07 0.00 0.00 -0.91 0.00 0.00 33.84 33.43 1ypi n VAL 86 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1ypi n GLY 87 N 1.36 1.02 3.95 2.92 0.00 0.10 -4.66 105.19 109.89 1ypi n GLY 87 Ca 0.03 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.83 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 3.80 0.00 4.61 0.00 0.54 -4.76 121.76 123.95 1ypi s ALA 88 Ca 0.00 -1.05 0.00 0.00 0.00 0.00 0.00 51.96 50.91 1ypi s ALA 88 Cb 0.00 -2.05 0.00 0.00 0.00 0.00 0.00 23.12 21.07 1ypi s ALA 88 CO 0.00 -0.16 0.00 1.17 0.00 0.00 0.00 175.76 176.77 1ypi n LYS 89 N -1.87 5.23 -4.09 0.00 0.00 0.16 -4.27 118.16 113.33 1ypi n LYS 89 Ca -0.02 0.00 -0.07 0.00 0.00 0.00 0.00 58.31 58.22 1ypi n LYS 89 Cb 0.57 -0.51 -0.10 0.00 0.00 0.00 0.00 35.03 34.99 1ypi n LYS 89 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.40 175.82 1ypi s TRP 90 N -0.99 0.53 -0.11 5.64 0.52 -1.20 0.28 118.94 123.61 1ypi s TRP 90 Ca 0.00 -1.01 -0.06 0.00 0.02 0.00 0.00 56.10 55.05 1ypi s TRP 90 Cb 0.00 -0.38 0.04 0.00 -1.15 0.00 0.00 33.47 31.98 1ypi s TRP 90 CO 0.00 -0.35 0.26 0.54 0.02 0.00 0.00 176.95 177.42 1ypi s VAL 91 N -3.68 -0.03 -0.05 4.03 0.11 -0.77 -1.64 120.40 118.37 1ypi s VAL 91 Ca 0.05 0.11 -0.19 0.00 -2.93 0.00 0.00 61.98 59.03 1ypi s VAL 91 Cb 0.06 -0.39 -0.05 0.00 -1.53 0.00 0.00 36.38 34.47 1ypi s VAL 91 CO -0.09 0.05 0.53 -0.51 -3.33 0.00 0.00 175.10 171.75 1ypi s ILE 92 N 1.04 5.03 -0.02 7.04 2.07 0.08 -1.66 121.20 134.78 1ypi s ILE 92 Ca -0.07 1.09 0.04 0.00 -1.41 0.00 0.00 60.65 60.30 1ypi s ILE 92 Cb -0.08 -3.86 -0.01 0.00 0.13 0.00 0.00 42.46 38.64 1ypi s ILE 92 CO -0.07 0.41 -0.15 -0.76 -1.91 0.00 0.00 174.94 172.45 1ypi s LEU 93 N -0.01 1.98 -0.14 8.50 1.02 0.19 -3.36 118.68 126.85 1ypi s LEU 93 Ca 0.28 -0.29 0.00 0.00 0.02 0.00 0.00 54.13 54.14 1ypi s LEU 93 Cb -0.17 -0.82 0.00 0.00 0.02 0.00 0.00 46.19 45.22 1ypi s LEU 93 CO 0.14 0.17 0.00 0.61 0.02 0.00 0.00 176.35 177.29 1ypi n GLY 94 N 2.87 0.49 3.77 -3.19 0.00 -1.26 -0.92 105.19 106.94 1ypi n GLY 94 Ca -0.16 -0.93 -0.40 0.00 0.00 0.00 0.00 46.02 44.54 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 -2.04 2.56 0.37 1.61 2.46 -1.26 -4.35 115.29 114.64 1ypi s HIS 95 Ca 0.00 1.32 0.14 0.00 0.47 0.00 0.00 55.06 57.00 1ypi s HIS 95 Cb 0.00 -3.82 0.99 0.00 -0.13 0.00 0.00 32.58 29.62 1ypi s HIS 95 CO 0.00 -2.65 1.79 0.66 -2.47 0.00 0.00 174.74 172.07 1ypi h SER 96 N 2.36 0.54 0.66 9.88 4.64 -1.95 0.50 113.55 130.18 1ypi h SER 96 Ca -0.50 0.08 -0.02 0.00 -0.47 0.00 0.00 61.79 60.88 1ypi h SER 96 Cb 1.26 -0.01 -0.00 0.00 -0.31 0.00 0.00 62.40 63.34 1ypi h SER 96 CO 0.61 0.16 -0.08 -0.33 -0.87 0.00 0.00 176.83 176.31 1ypi h GLU 97 N 0.50 0.00 0.00 4.77 5.08 -1.99 -1.57 114.58 121.38 1ypi h GLU 97 Ca 0.56 0.00 -0.25 0.00 -1.00 0.00 0.00 59.36 58.67 1ypi h GLU 97 Cb 1.25 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 30.46 1ypi h GLU 97 CO -0.30 0.08 -1.69 0.54 -1.00 0.00 0.00 179.01 176.64 1ypi n ARG 98 N -3.31 0.63 0.09 2.33 1.74 0.17 -2.50 116.66 115.82 1ypi n ARG 98 Ca -0.01 0.23 -0.02 0.00 -0.77 0.00 0.00 57.85 57.28 1ypi n ARG 98 Cb 0.28 -1.76 0.21 0.00 -1.02 0.00 0.00 32.46 30.16 1ypi n ARG 98 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1ypi h ARG 99 N 0.00 0.24 0.00 5.56 3.08 -1.32 -1.63 114.38 120.31 1ypi h ARG 99 Ca -0.27 -0.12 0.00 0.00 0.07 0.00 0.00 59.98 59.66 1ypi h ARG 99 Cb 1.88 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.93 1ypi h ARG 99 CO 0.06 0.64 0.00 0.43 -1.07 0.00 0.00 179.97 180.03 1ypi n SER 100 N -4.00 0.00 0.25 7.04 7.64 -0.60 -3.33 113.62 120.62 1ypi n SER 100 Ca -0.02 0.04 0.11 0.00 1.01 0.00 0.00 58.87 60.01 1ypi n SER 100 Cb 0.50 -0.10 0.65 0.00 -1.01 0.00 0.00 64.21 64.25 1ypi n SER 100 CO 0.00 0.00 0.00 1.88 -3.01 0.00 0.00 175.04 173.91 1ypi h TYR 101 N 0.00 0.00 -0.11 1.43 0.99 -1.68 -2.45 116.97 115.15 1ypi h TYR 101 Ca 0.00 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.73 1ypi h TYR 101 Cb 0.00 0.00 0.00 0.00 1.00 0.00 0.00 36.73 37.73 1ypi h TYR 101 CO 0.00 0.15 0.00 1.19 -0.00 0.00 0.00 178.16 179.50 1ypi n PHE 102 N -3.78 0.13 -1.39 4.88 3.72 -1.07 -5.03 117.46 114.92 1ypi n PHE 102 Ca -0.02 -0.13 -0.06 0.00 -0.05 0.00 0.00 57.45 57.19 1ypi n PHE 102 Cb 0.26 -0.01 0.01 0.00 -0.94 0.00 0.00 39.48 38.80 1ypi n PHE 102 CO 0.00 0.00 0.00 1.58 -0.05 0.00 0.00 176.76 178.29 1ypi n HIS 103 N 0.64 -0.41 -3.16 1.38 -0.00 -0.67 -4.88 115.22 108.12 1ypi n HIS 103 Ca 0.08 0.17 -0.40 0.00 -0.00 0.00 0.00 57.72 57.57 1ypi n HIS 103 Cb 0.33 -0.32 -0.07 0.00 -0.00 0.00 0.00 29.99 29.94 1ypi n HIS 103 CO 0.00 0.00 0.00 -1.21 -0.00 0.00 0.00 176.34 175.13 1ypi s GLU 104 N -0.42 4.04 0.63 1.57 2.02 -0.84 -4.96 118.70 120.73 1ypi s GLU 104 Ca 0.06 0.39 -0.06 0.00 0.02 0.00 0.00 54.97 55.39 1ypi s GLU 104 Cb -0.01 -3.67 0.03 0.00 0.10 0.00 0.00 34.13 30.59 1ypi s GLU 104 CO 0.13 -0.42 0.93 0.16 0.02 0.00 0.00 175.26 176.08 1ypi s ASP 105 N 1.54 5.25 0.25 -0.19 1.47 -1.26 -4.46 116.67 119.27 1ypi s ASP 105 Ca 0.24 0.55 -0.10 0.00 1.18 0.00 0.00 52.55 54.42 1ypi s ASP 105 Cb -0.15 -1.39 0.37 0.00 -0.34 0.00 0.00 42.92 41.40 1ypi s ASP 105 CO 0.09 -1.28 1.60 0.44 0.68 0.00 0.00 175.17 176.70 1ypi h ASP 106 N -0.32 -0.68 -0.26 2.11 3.45 -1.96 -1.75 116.42 117.00 1ypi h ASP 106 Ca -0.45 0.24 -0.07 0.00 0.43 0.00 0.00 57.03 57.18 1ypi h ASP 106 Cb 1.28 0.48 -0.02 0.00 -0.56 0.00 0.00 39.33 40.51 1ypi h ASP 106 CO 0.60 -0.26 -0.04 0.50 -1.57 0.00 0.00 179.24 178.47 1ypi h LYS 107 N 0.01 0.61 -0.55 3.56 3.11 -1.93 -1.79 116.57 119.59 1ypi h LYS 107 Ca 0.40 -0.16 0.00 0.00 -2.81 0.00 0.00 60.65 58.08 1ypi h LYS 107 Cb 0.63 -0.07 -0.03 0.00 -1.00 0.00 0.00 32.23 31.76 1ypi h LYS 107 CO -0.81 0.66 0.35 0.35 -2.81 0.00 0.00 179.45 177.19 1ypi h PHE 108 N 0.57 0.71 0.12 1.91 3.57 -1.71 0.06 116.94 122.17 1ypi h PHE 108 Ca 0.11 0.01 -0.01 0.00 3.53 0.00 0.00 57.97 61.62 1ypi h PHE 108 Cb 0.43 -0.24 0.00 0.00 2.79 0.00 0.00 35.95 38.93 1ypi h PHE 108 CO 0.02 0.47 -0.06 0.82 -2.23 0.00 0.00 178.31 177.33 1ypi h ILE 109 N 0.75 0.89 0.13 1.41 1.08 -1.12 0.31 117.51 120.96 1ypi h ILE 109 Ca 0.20 -0.01 -0.01 0.00 -0.39 0.00 0.00 64.86 64.65 1ypi h ILE 109 Cb -0.05 0.90 0.00 0.00 -3.07 0.00 0.00 36.82 34.59 1ypi h ILE 109 CO -0.04 0.00 -0.07 0.00 -0.69 0.00 0.00 178.15 177.35 1ypi h ALA 110 N 0.73 -0.18 -0.20 1.87 0.00 -1.26 0.14 119.26 120.35 1ypi h ALA 110 Ca -0.02 -0.04 0.06 0.00 0.00 0.00 0.00 54.91 54.91 1ypi h ALA 110 Cb 0.12 0.08 -0.07 0.00 0.00 0.00 0.00 17.79 17.92 1ypi h ALA 110 CO 0.03 -0.60 -0.26 -0.44 0.00 0.00 0.00 179.25 177.97 1ypi h ASP 111 N -0.19 -0.83 -0.63 0.00 3.45 -0.65 -0.31 116.42 117.27 1ypi h ASP 111 Ca -0.02 0.14 -0.05 0.00 0.43 0.00 0.00 57.03 57.53 1ypi h ASP 111 Cb 0.15 0.38 -0.03 0.00 -0.56 0.00 0.00 39.33 39.27 1ypi h ASP 111 CO 0.02 -0.30 0.18 0.11 -1.57 0.00 0.00 179.24 177.69 1ypi h LYS 112 N -0.29 0.99 0.42 3.56 1.57 -0.61 -2.94 116.57 119.27 1ypi h LYS 112 Ca 0.12 -0.22 -0.01 0.00 -1.87 0.00 0.00 60.65 58.67 1ypi h LYS 112 Cb 0.48 -0.14 -0.01 0.00 0.08 0.00 0.00 32.23 32.64 1ypi h LYS 112 CO -0.37 0.88 -0.31 1.15 -0.57 0.00 0.00 179.45 180.23 1ypi h THR 113 N 0.91 0.35 -0.68 -0.16 2.02 0.06 -1.54 112.91 113.88 1ypi h THR 113 Ca 0.20 0.00 0.10 0.00 0.77 0.00 0.00 66.41 67.48 1ypi h THR 113 Cb 0.32 0.35 -0.12 0.00 -1.74 0.00 0.00 68.15 66.96 1ypi h THR 113 CO -0.00 0.00 -0.41 0.50 0.37 0.00 0.00 175.52 175.98 1ypi h LYS 114 N -0.72 -0.15 0.22 6.66 3.64 -1.05 -2.46 116.57 122.70 1ypi h LYS 114 Ca -0.04 0.01 0.01 0.00 -1.27 0.00 0.00 60.65 59.36 1ypi h LYS 114 Cb 0.62 0.04 -0.04 0.00 -0.41 0.00 0.00 32.23 32.44 1ypi h LYS 114 CO 0.00 -0.10 -0.40 0.35 -2.27 0.00 0.00 179.45 177.03 1ypi h PHE 115 N -0.16 -1.12 -0.65 1.91 3.57 -1.31 -0.90 116.94 118.28 1ypi h PHE 115 Ca 0.22 0.02 0.14 0.00 3.53 0.00 0.00 57.97 61.88 1ypi h PHE 115 Cb 0.56 0.46 -0.04 0.00 2.79 0.00 0.00 35.95 39.72 1ypi h PHE 115 CO -0.74 -0.52 0.45 0.00 -2.23 0.00 0.00 178.31 175.27 1ypi h ALA 116 N -0.24 2.22 0.00 2.41 0.00 -1.16 0.24 119.26 122.73 1ypi h ALA 116 Ca 0.00 -0.01 -0.25 0.00 0.00 0.00 0.00 54.91 54.65 1ypi h ALA 116 Cb 0.69 -0.03 0.01 0.00 0.00 0.00 0.00 17.79 18.46 1ypi h ALA 116 CO -0.17 -0.39 -1.01 -0.07 0.00 0.00 0.00 179.25 177.60 1ypi h LEU 117 N 0.28 0.75 -0.02 0.00 3.38 -0.86 -1.75 115.31 117.09 1ypi h LEU 117 Ca 0.31 -0.60 0.00 0.00 0.09 0.00 0.00 57.88 57.68 1ypi h LEU 117 Cb 0.84 -0.23 -0.00 0.00 0.09 0.00 0.00 40.66 41.36 1ypi h LEU 117 CO -0.07 1.40 -0.02 1.23 0.09 0.00 0.00 178.44 181.07 1ypi h GLY 118 N 0.77 -2.30 1.71 0.83 0.00 0.79 -0.24 103.07 104.63 1ypi h GLY 118 Ca -0.11 1.00 0.00 0.00 0.00 0.00 0.00 47.33 48.22 1ypi h GLY 118 CO 0.19 -0.87 0.03 -1.06 0.00 0.00 0.00 176.54 174.83 1ypi n GLN 119 N -2.93 0.00 -0.50 4.80 1.13 -0.80 -4.85 117.38 114.23 1ypi n GLN 119 Ca -0.00 0.39 0.00 0.00 -1.94 0.00 0.00 57.00 55.45 1ypi n GLN 119 Cb 0.01 -1.53 0.00 0.00 0.11 0.00 0.00 30.24 28.83 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 -1.38 0.73 3.93 1.08 0.00 -0.10 -4.96 105.19 104.49 1ypi n GLY 120 Ca 0.00 -0.13 -0.19 0.00 0.00 0.00 0.00 46.02 45.70 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 2.99 0.24 1.61 -7.23 -0.71 -5.02 120.40 110.28 1ypi s VAL 121 Ca 0.00 -1.20 0.05 0.00 -1.81 0.00 0.00 61.98 59.02 1ypi s VAL 121 Cb 0.00 -3.05 -0.03 0.00 0.56 0.00 0.00 36.38 33.85 1ypi s VAL 121 CO 0.00 -0.03 0.30 -0.83 -0.31 0.00 0.00 175.10 174.23 1ypi s GLY 122 N -4.19 1.30 -0.03 2.32 0.00 0.14 -4.23 107.32 102.63 1ypi s GLY 122 Ca 0.49 -1.28 0.05 0.00 0.00 0.00 0.00 44.72 43.99 1ypi s GLY 122 CO 0.30 -1.30 -0.18 -1.34 0.00 0.00 0.00 173.10 170.58 1ypi s VAL 123 N -2.01 1.45 -0.67 1.40 -7.23 -0.67 -1.85 120.40 110.82 1ypi s VAL 123 Ca 0.34 -0.76 -0.14 0.00 -1.81 0.00 0.00 61.98 59.60 1ypi s VAL 123 Cb -0.09 -1.23 0.17 0.00 0.56 0.00 0.00 36.38 35.80 1ypi s VAL 123 CO 0.28 0.41 0.61 -0.63 -0.31 0.00 0.00 175.10 175.46 1ypi s ILE 124 N -0.22 5.29 -0.47 -0.62 1.01 -0.66 -1.23 121.20 124.30 1ypi s ILE 124 Ca 0.02 -2.01 -0.23 0.00 0.00 0.00 0.00 60.65 58.44 1ypi s ILE 124 Cb -0.09 -4.34 0.03 0.00 0.01 0.00 0.00 42.46 38.07 1ypi s ILE 124 CO 0.01 -0.94 0.79 -0.22 0.00 0.00 0.00 174.94 174.58 1ypi s LEU 125 N 0.88 4.30 0.07 2.97 2.96 -1.06 0.55 118.68 129.35 1ypi s LEU 125 Ca 0.10 -0.23 -0.21 0.00 -0.22 0.00 0.00 54.13 53.57 1ypi s LEU 125 Cb -0.20 -2.88 -0.07 0.00 0.50 0.00 0.00 46.19 43.54 1ypi s LEU 125 CO -0.03 -0.96 0.61 0.00 -1.32 0.00 0.00 176.35 174.65 1ypi s ILE 127 N -0.87 0.08 0.00 0.00 -4.36 -0.82 -4.56 121.20 110.66 1ypi s ILE 127 Ca 0.31 -0.64 0.00 0.00 -0.26 0.00 0.00 60.65 60.06 1ypi s ILE 127 Cb -0.20 -0.37 0.00 0.00 1.25 0.00 0.00 42.46 43.14 1ypi s ILE 127 CO 0.20 -0.35 0.00 0.61 0.24 0.00 0.00 174.94 175.64 1ypi n GLY 128 N 1.68 1.08 3.72 6.27 0.00 -1.26 -0.99 105.19 115.70 1ypi n GLY 128 Ca -0.22 -0.44 -0.27 0.00 0.00 0.00 0.00 46.02 45.10 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 -2.00 2.64 0.00 1.61 1.03 -1.25 -4.85 118.70 115.87 1ypi s GLU 129 Ca 0.00 -0.97 0.27 0.00 0.03 0.00 0.00 54.97 54.31 1ypi s GLU 129 Cb 0.00 -2.51 0.98 0.00 -0.80 0.00 0.00 34.13 31.80 1ypi s GLU 129 CO 0.00 0.48 1.72 0.25 -1.33 0.00 0.00 175.26 176.38 1ypi n THR 130 N -0.12 0.00 0.00 1.83 -2.24 -1.26 -3.04 114.28 109.45 1ypi n THR 130 Ca -0.09 -0.04 0.00 0.00 -2.27 0.00 0.00 64.05 61.65 1ypi n THR 130 Cb 0.54 -0.01 0.00 0.00 -2.10 0.00 0.00 70.33 68.76 1ypi n THR 130 CO 0.00 0.00 0.00 -0.11 -0.57 0.00 0.00 175.07 174.39 1ypi n LEU 131 N -1.15 0.00 0.16 3.22 0.00 -1.26 -3.70 117.00 114.27 1ypi n LEU 131 Ca 0.10 0.00 -0.14 0.00 0.00 0.00 0.00 56.01 55.97 1ypi n LEU 131 Cb 0.31 0.00 -0.08 0.00 0.00 0.00 0.00 43.42 43.65 1ypi n LEU 131 CO 0.28 0.00 0.67 -0.33 0.00 0.00 0.00 177.39 178.01 1ypi h GLU 132 N 0.00 -0.37 0.00 1.96 3.07 -1.97 7.26 114.58 124.53 1ypi h GLU 132 Ca 0.00 0.03 -0.02 0.00 -0.50 0.00 0.00 59.36 58.86 1ypi h GLU 132 Cb 0.00 0.08 -0.00 0.00 -0.84 0.00 0.00 28.75 27.99 1ypi h GLU 132 CO 0.00 -0.13 -0.10 0.93 -1.40 0.00 0.00 179.01 178.31 1ypi h GLU 133 N -0.55 0.00 -0.00 2.33 5.08 -1.92 -1.37 114.58 118.15 1ypi h GLU 133 Ca -0.04 0.00 -0.13 0.00 -1.00 0.00 0.00 59.36 58.19 1ypi h GLU 133 Cb 0.41 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.67 1ypi h GLU 133 CO 0.06 0.10 -0.52 -0.22 -1.00 0.00 0.00 179.01 177.44 1ypi h LYS 134 N 0.00 0.35 -0.53 2.33 1.63 -1.31 0.31 116.57 119.34 1ypi h LYS 134 Ca -0.00 -0.38 0.08 0.00 -0.85 0.00 0.00 60.65 59.50 1ypi h LYS 134 Cb 0.19 0.11 -0.06 0.00 -0.60 0.00 0.00 32.23 31.87 1ypi h LYS 134 CO 0.01 1.06 0.18 0.87 -3.45 0.00 0.00 179.45 178.13 1ypi h LYS 135 N -0.20 0.35 0.00 1.90 1.57 1.60 0.18 116.57 121.96 1ypi h LYS 135 Ca -0.06 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.69 1ypi h LYS 135 Cb 1.24 -0.08 0.00 0.00 0.08 0.00 0.00 32.23 33.47 1ypi h LYS 135 CO 0.10 0.23 0.00 0.00 -0.57 0.00 0.00 179.45 179.21 1ypi n ALA 136 N -2.45 1.92 -2.06 3.86 0.00 -0.59 -4.81 120.51 116.38 1ypi n ALA 136 Ca 0.06 -0.07 -0.19 0.00 0.00 0.00 0.00 53.44 53.24 1ypi n ALA 136 Cb 0.23 -1.21 -0.04 0.00 0.00 0.00 0.00 19.45 18.44 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 -0.21 0.41 2.20 0.00 0.00 0.62 -4.90 105.19 103.32 1ypi n GLY 137 Ca 0.09 -0.10 -0.23 0.00 0.00 0.00 0.00 46.02 45.78 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 -2.68 2.23 0.08 1.61 4.76 0.11 -4.62 118.16 119.63 1ypi n LYS 138 Ca -0.21 -2.94 -0.12 0.00 -2.87 0.00 0.00 58.31 52.17 1ypi n LYS 138 Cb 0.65 -2.15 -0.06 0.00 -1.84 0.00 0.00 35.03 31.63 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 0.98 0.78 -0.40 -0.18 1.35 -1.86 0.30 112.91 113.87 1ypi h THR 139 Ca 0.62 0.00 -0.05 0.00 -0.55 0.00 0.00 66.41 66.44 1ypi h THR 139 Cb 2.84 0.78 -0.02 0.00 -1.73 0.00 0.00 68.15 70.02 1ypi h THR 139 CO 1.08 0.00 0.05 0.25 -0.25 0.00 0.00 175.52 176.66 1ypi h LEU 140 N -0.19 0.57 -0.59 3.87 5.85 -1.94 -1.04 115.31 121.84 1ypi h LEU 140 Ca 0.02 -0.10 -0.13 0.00 0.84 0.00 0.00 57.88 58.51 1ypi h LEU 140 Cb 0.20 -0.15 -0.02 0.00 0.37 0.00 0.00 40.66 41.07 1ypi h LEU 140 CO -0.05 0.60 -0.60 0.44 -0.34 0.00 0.00 178.44 178.49 1ypi h ASP 141 N 0.59 0.00 -0.05 1.25 5.19 -1.61 -1.39 116.42 120.39 1ypi h ASP 141 Ca 0.13 0.00 -0.02 0.00 -0.62 0.00 0.00 57.03 56.52 1ypi h ASP 141 Cb 0.29 0.00 -0.00 0.00 0.18 0.00 0.00 39.33 39.80 1ypi h ASP 141 CO 0.00 0.60 -0.05 0.58 -3.12 0.00 0.00 179.24 177.25 1ypi h VAL 142 N 0.00 1.37 -0.17 -1.35 2.07 0.54 -1.79 116.25 116.92 1ypi h VAL 142 Ca -0.01 -1.19 -0.00 0.00 0.82 0.00 0.00 66.70 66.32 1ypi h VAL 142 Cb 1.19 2.06 -0.01 0.00 -1.52 0.00 0.00 31.29 33.01 1ypi h VAL 142 CO 0.08 0.33 0.09 0.58 0.02 0.00 0.00 177.57 178.67 1ypi h VAL 143 N -0.32 1.10 -0.02 2.57 2.07 -1.23 -0.38 116.25 120.03 1ypi h VAL 143 Ca 0.01 -0.26 0.03 0.00 0.82 0.00 0.00 66.70 67.30 1ypi h VAL 143 Cb 0.55 0.97 -0.03 0.00 -1.52 0.00 0.00 31.29 31.25 1ypi h VAL 143 CO 0.01 0.09 -0.15 -0.33 0.02 0.00 0.00 177.57 177.21 1ypi h GLU 144 N 0.17 -0.23 -0.81 1.57 4.39 -1.30 -0.01 114.58 118.36 1ypi h GLU 144 Ca 0.06 0.02 0.06 0.00 0.34 0.00 0.00 59.36 59.84 1ypi h GLU 144 Cb 0.06 0.05 -0.06 0.00 -0.10 0.00 0.00 28.75 28.71 1ypi h GLU 144 CO -0.01 -0.15 0.49 -0.09 -1.16 0.00 0.00 179.01 178.09 1ypi h ARG 145 N -0.24 0.87 -0.76 2.33 2.43 -1.02 0.25 114.38 118.23 1ypi h ARG 145 Ca 0.06 -0.05 -0.05 0.00 -0.81 0.00 0.00 59.98 59.12 1ypi h ARG 145 Cb 0.32 -0.20 -0.03 0.00 -0.42 0.00 0.00 29.97 29.64 1ypi h ARG 145 CO -0.16 0.57 0.27 1.96 -1.51 0.00 0.00 179.97 181.10 1ypi h GLN 146 N 0.89 1.16 -0.27 0.20 4.20 -0.23 -3.17 115.11 117.90 1ypi h GLN 146 Ca 0.35 -0.23 -0.17 0.00 0.06 0.00 0.00 58.65 58.66 1ypi h GLN 146 Cb 0.18 -0.18 0.00 0.00 0.30 0.00 0.00 27.48 27.78 1ypi h GLN 146 CO -0.18 0.97 -0.51 -0.07 -0.67 0.00 0.00 178.83 178.37 1ypi h LEU 147 N 1.12 0.91 -1.47 1.46 3.38 -0.67 -3.29 115.31 116.75 1ypi h LEU 147 Ca 0.25 -0.54 0.09 0.00 0.09 0.00 0.00 57.88 57.77 1ypi h LEU 147 Cb 0.27 -0.26 -0.05 0.00 0.09 0.00 0.00 40.66 40.71 1ypi h LEU 147 CO -0.01 1.28 0.46 0.78 0.09 0.00 0.00 178.44 181.04 1ypi h ASN 148 N 0.58 0.54 -0.84 -0.43 4.21 -0.93 -0.61 115.58 118.10 1ypi h ASN 148 Ca 0.01 0.01 0.02 0.00 1.21 0.00 0.00 56.30 57.55 1ypi h ASN 148 Cb 1.12 -0.10 -0.04 0.00 -1.12 0.00 0.00 38.32 38.17 1ypi h ASN 148 CO 0.11 0.33 0.55 0.00 -1.29 0.00 0.00 177.43 177.14 1ypi h ALA 149 N 1.64 1.43 0.13 -0.83 0.00 -1.62 -1.01 119.26 119.00 1ypi h ALA 149 Ca 0.32 -0.05 -0.28 0.00 0.00 0.00 0.00 54.91 54.90 1ypi h ALA 149 Cb 0.45 -0.32 0.00 0.00 0.00 0.00 0.00 17.79 17.92 1ypi h ALA 149 CO -0.11 0.51 -1.27 0.28 0.00 0.00 0.00 179.25 178.67 1ypi h VAL 150 N 1.10 1.48 0.00 0.00 2.07 -1.29 -3.24 116.25 116.37 1ypi h VAL 150 Ca 0.32 -3.04 -0.03 0.00 0.82 0.00 0.00 66.70 64.76 1ypi h VAL 150 Cb -0.08 2.94 -0.00 0.00 -1.52 0.00 0.00 31.29 32.63 1ypi h VAL 150 CO -0.08 0.89 -0.14 -0.07 0.02 0.00 0.00 177.57 178.19 1ypi h LEU 151 N 0.08 0.00 -0.77 2.57 4.07 -0.62 -1.15 115.31 119.48 1ypi h LEU 151 Ca -0.14 0.00 -0.03 0.00 0.08 0.00 0.00 57.88 57.79 1ypi h LEU 151 Cb 1.98 0.00 -0.04 0.00 1.08 0.00 0.00 40.66 43.69 1ypi h LEU 151 CO 0.20 0.14 0.38 -0.33 -1.08 0.00 0.00 178.44 177.75 1ypi h GLU 152 N 0.00 1.10 0.00 1.13 4.39 -1.23 -3.34 114.58 116.64 1ypi h GLU 152 Ca -0.00 -0.16 -0.14 0.00 0.34 0.00 0.00 59.36 59.41 1ypi h GLU 152 Cb 0.34 -0.20 -0.03 0.00 -0.10 0.00 0.00 28.75 28.76 1ypi h GLU 152 CO 0.02 0.85 -1.97 0.39 -1.16 0.00 0.00 179.01 177.14 1ypi n GLU 153 N -4.39 0.87 -4.56 2.33 -0.58 -0.90 -4.97 120.64 108.45 1ypi n GLU 153 Ca 0.07 -0.09 -0.23 0.00 -0.42 0.00 0.00 57.16 56.48 1ypi n GLU 153 Cb 0.13 -1.43 -0.16 0.00 -0.57 0.00 0.00 31.44 29.41 1ypi n GLU 153 CO 0.00 0.00 0.00 0.14 -0.48 0.00 0.00 177.13 176.79 1ypi s VAL 154 N -2.87 1.05 -0.71 2.62 -7.23 -0.48 -4.91 120.40 107.86 1ypi s VAL 154 Ca -0.07 -0.48 0.08 0.00 -1.81 0.00 0.00 61.98 59.69 1ypi s VAL 154 Cb 0.09 -0.93 -0.00 0.00 0.56 0.00 0.00 36.38 36.09 1ypi s VAL 154 CO 0.72 0.32 0.55 0.29 -0.31 0.00 0.00 175.10 176.68 1ypi n LYS 155 N 3.43 2.19 -3.96 4.82 5.02 -1.26 -4.47 118.16 123.93 1ypi n LYS 155 Ca -0.20 -0.53 -0.33 0.00 -2.02 0.00 0.00 58.31 55.22 1ypi n LYS 155 Cb 0.53 -1.01 -0.14 0.00 -0.02 0.00 0.00 35.03 34.39 1ypi n LYS 155 CO 0.00 0.00 0.00 0.34 -0.52 0.00 0.00 177.40 177.22 1ypi s ASP 156 N -1.14 4.79 -0.55 4.39 3.68 -1.26 -4.99 116.67 121.57 1ypi s ASP 156 Ca 0.06 -1.64 0.01 0.00 2.13 0.00 0.00 52.55 53.11 1ypi s ASP 156 Cb 0.06 -1.66 0.45 0.00 -1.45 0.00 0.00 42.92 40.32 1ypi s ASP 156 CO 0.19 -0.31 1.77 0.79 0.13 0.00 0.00 175.17 177.74 1ypi n TRP 157 N 4.47 3.09 0.15 -5.34 7.02 -1.26 -4.62 117.44 120.94 1ypi n TRP 157 Ca -0.08 -2.77 0.00 0.00 -1.02 0.00 0.00 57.50 53.64 1ypi n TRP 157 Cb 0.42 -1.09 0.19 0.00 -2.42 0.00 0.00 31.31 28.41 1ypi n TRP 157 CO 0.00 0.00 0.00 1.15 -2.02 0.00 0.00 177.69 176.82 1ypi h THR 158 N 1.40 1.29 -0.65 -0.99 2.02 -1.98 -3.20 112.91 110.81 1ypi h THR 158 Ca 0.53 -2.05 0.00 0.00 0.77 0.00 0.00 66.41 65.66 1ypi h THR 158 Cb 1.02 2.14 0.00 0.00 -1.74 0.00 0.00 68.15 69.57 1ypi h THR 158 CO 1.33 0.56 0.00 0.59 0.37 0.00 0.00 175.52 178.37 1ypi n ASN 159 N -3.68 3.69 -4.24 4.18 3.02 -1.26 -4.96 115.26 112.00 1ypi n ASN 159 Ca -0.01 -2.07 -0.31 0.00 -0.03 0.00 0.00 54.58 52.16 1ypi n ASN 159 Cb 0.61 -0.46 -0.17 0.00 -0.61 0.00 0.00 39.78 39.15 1ypi n ASN 159 CO 0.00 0.00 0.00 0.68 -2.62 0.00 0.00 177.26 175.32 1ypi s VAL 160 N -1.23 2.02 -0.06 2.41 -7.23 -1.21 -1.67 120.40 113.43 1ypi s VAL 160 Ca 0.45 -1.03 0.03 0.00 -1.81 0.00 0.00 61.98 59.62 1ypi s VAL 160 Cb 0.24 -1.72 -0.03 0.00 0.56 0.00 0.00 36.38 35.44 1ypi s VAL 160 CO 0.29 0.56 -0.13 0.54 -0.31 0.00 0.00 175.10 176.05 1ypi s VAL 161 N 0.00 3.19 -0.12 1.32 0.11 -0.36 -4.61 120.40 119.94 1ypi s VAL 161 Ca -0.08 -0.67 -0.03 0.00 -2.93 0.00 0.00 61.98 58.26 1ypi s VAL 161 Cb -0.15 -2.27 -0.03 0.00 -1.53 0.00 0.00 36.38 32.40 1ypi s VAL 161 CO 0.05 0.59 -0.00 0.68 -3.33 0.00 0.00 175.10 173.09 1ypi s VAL 162 N -0.71 4.26 -0.25 2.04 -7.23 0.37 -2.56 120.40 116.32 1ypi s VAL 162 Ca 0.11 -0.25 -0.11 0.00 -1.81 0.00 0.00 61.98 59.92 1ypi s VAL 162 Cb -0.11 -2.83 -0.05 0.00 0.56 0.00 0.00 36.38 33.95 1ypi s VAL 162 CO 0.01 0.55 0.20 0.00 -0.31 0.00 0.00 175.10 175.55 1ypi s ALA 163 N -0.34 3.59 -0.37 1.32 0.00 -0.60 -1.26 121.76 124.10 1ypi s ALA 163 Ca 0.07 -0.90 -0.12 0.00 0.00 0.00 0.00 51.96 51.01 1ypi s ALA 163 Cb -0.12 -2.40 0.01 0.00 0.00 0.00 0.00 23.12 20.61 1ypi s ALA 163 CO 0.02 -0.30 0.23 -0.47 0.00 0.00 0.00 175.76 175.24 1ypi s TYR 164 N 1.28 3.23 -0.24 0.00 6.14 -0.08 -1.95 117.35 125.73 1ypi s TYR 164 Ca 0.09 -0.69 -0.07 0.00 0.64 0.00 0.00 57.07 57.04 1ypi s TYR 164 Cb -0.14 -2.47 -0.03 0.00 0.42 0.00 0.00 41.96 39.74 1ypi s TYR 164 CO 0.06 -0.56 0.06 -1.21 0.64 0.00 0.00 175.55 174.55 1ypi s GLU 165 N 1.62 3.69 -1.38 4.97 2.02 -0.16 -0.38 118.70 129.07 1ypi s GLU 165 Ca 0.04 -0.47 -0.16 0.00 0.02 0.00 0.00 54.97 54.40 1ypi s GLU 165 Cb -0.18 -3.29 0.05 0.00 0.10 0.00 0.00 34.13 30.81 1ypi s GLU 165 CO 0.08 -0.11 2.02 -0.35 0.02 0.00 0.00 175.26 176.92 1ypi n PRO 166 N 4.69 2.97 0.28 0.39 -0.04 -1.26 -3.90 135.00 138.12 1ypi n PRO 166 Ca -0.16 -2.87 0.18 0.00 -0.04 0.00 0.00 63.50 60.61 1ypi n PRO 166 Cb 0.52 -3.37 0.87 0.00 -0.04 0.00 0.00 33.50 31.47 1ypi n PRO 166 CO 0.00 0.00 0.00 0.28 -0.04 0.00 0.00 175.50 175.74 1ypi h VAL 167 N 4.66 0.14 0.00 0.52 2.07 -1.87 0.13 116.25 121.91 1ypi h VAL 167 Ca 0.52 0.00 0.00 0.00 0.82 0.00 0.00 66.70 68.04 1ypi h VAL 167 Cb 0.74 0.74 0.00 0.00 -1.52 0.00 0.00 31.29 31.25 1ypi h VAL 167 CO 1.71 0.00 0.00 -2.67 0.02 0.00 0.00 177.57 176.63 1ypi n TRP 168 N -3.20 0.00 0.53 1.57 4.27 -1.21 -1.08 117.44 118.32 1ypi n TRP 168 Ca -0.00 0.00 0.10 0.00 -3.89 0.00 0.00 57.50 53.70 1ypi n TRP 168 Cb 0.36 -0.49 0.12 0.00 -1.36 0.00 0.00 31.31 29.95 1ypi n TRP 168 CO 0.00 0.00 0.00 0.00 -2.29 0.00 0.00 177.69 175.40 1ypi n ALA 169 N -1.49 2.43 -3.03 -1.67 0.00 0.03 -4.69 120.51 112.10 1ypi n ALA 169 Ca 0.04 -0.80 -0.36 0.00 0.00 0.00 0.00 53.44 52.33 1ypi n ALA 169 Cb 0.18 -0.67 -0.12 0.00 0.00 0.00 0.00 19.45 18.85 1ypi n ALA 169 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 177.50 176.00 1ypi s ILE 170 N -1.44 4.31 0.00 0.00 -1.16 -0.24 -4.45 121.20 118.21 1ypi s ILE 170 Ca 0.26 -0.18 0.00 0.00 -0.51 0.00 0.00 60.65 60.22 1ypi s ILE 170 Cb 0.17 -2.99 0.00 0.00 0.61 0.00 0.00 42.46 40.25 1ypi s ILE 170 CO 0.25 0.37 0.00 0.61 -2.81 0.00 0.00 174.94 173.36 1ypi n GLY 171 N 4.60 1.99 0.33 1.50 0.00 -1.26 -4.87 105.19 107.48 1ypi n GLY 171 Ca -0.16 -0.26 0.08 0.00 0.00 0.00 0.00 46.02 45.67 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 0.00 0.00 -0.80 2.61 -2.24 -1.26 -4.77 114.28 107.83 1ypi n THR 172 Ca 0.00 0.91 0.00 0.00 -2.27 0.00 0.00 64.05 62.69 1ypi n THR 172 Cb 0.00 -1.74 0.00 0.00 -2.10 0.00 0.00 70.33 66.49 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 -1.41 0.71 3.95 3.38 0.00 -1.26 -5.02 105.19 105.53 1ypi n GLY 173 Ca 0.07 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.84 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 4.33 -0.01 0.99 1.43 -1.26 -5.12 118.68 119.04 1ypi s LEU 174 Ca 0.00 0.15 0.00 0.00 -1.03 0.00 0.00 54.13 53.25 1ypi s LEU 174 Cb 0.00 -2.90 0.01 0.00 0.03 0.00 0.00 46.19 43.33 1ypi s LEU 174 CO 0.00 0.02 0.01 0.00 0.23 0.00 0.00 176.35 176.61 1ypi s ALA 175 N -1.80 0.05 -0.08 4.21 0.00 -1.26 -4.74 121.76 118.13 1ypi s ALA 175 Ca 0.34 0.08 -0.14 0.00 0.00 0.00 0.00 51.96 52.25 1ypi s ALA 175 Cb -0.11 -0.09 -0.05 0.00 0.00 0.00 0.00 23.12 22.88 1ypi s ALA 175 CO 0.29 -0.03 0.34 0.00 0.00 0.00 0.00 175.76 176.36 1ypi s ALA 176 N 0.33 3.66 0.43 0.00 0.00 -1.26 -5.07 121.76 119.85 1ypi s ALA 176 Ca -0.03 -0.35 0.08 0.00 0.00 0.00 0.00 51.96 51.66 1ypi s ALA 176 Cb -0.04 -2.37 0.01 0.00 0.00 0.00 0.00 23.12 20.72 1ypi s ALA 176 CO -0.01 0.31 0.55 0.95 0.00 0.00 0.00 175.76 177.56 1ypi s THR 177 N -0.35 2.87 0.15 0.00 -4.23 -1.26 -4.98 115.64 107.84 1ypi s THR 177 Ca 0.20 -1.07 -0.11 0.00 -1.18 0.00 0.00 61.69 59.54 1ypi s THR 177 Cb -0.15 -2.93 -0.01 0.00 1.34 0.00 0.00 72.50 70.75 1ypi s THR 177 CO 0.09 0.00 1.53 -0.65 -0.54 0.00 0.00 174.62 175.05 1ypi h PRO 178 N 0.68 0.94 0.00 3.99 0.11 -1.99 -0.41 132.00 135.33 1ypi h PRO 178 Ca -0.40 -0.41 -0.03 0.00 0.11 0.00 0.00 66.00 65.28 1ypi h PRO 178 Cb 1.28 -0.03 -0.00 0.00 0.11 0.00 0.00 31.00 32.36 1ypi h PRO 178 CO 0.47 1.07 -0.14 0.93 -0.21 0.00 0.00 178.00 180.13 1ypi h GLU 179 N 0.78 0.00 0.68 1.05 3.07 -1.94 0.47 114.58 118.69 1ypi h GLU 179 Ca 0.10 0.00 -0.03 0.00 -0.50 0.00 0.00 59.36 58.93 1ypi h GLU 179 Cb 0.78 0.00 0.01 0.00 -0.84 0.00 0.00 28.75 28.70 1ypi h GLU 179 CO 0.06 0.14 -0.33 -0.44 -1.40 0.00 0.00 179.01 177.05 1ypi h ASP 180 N 0.00 -0.77 -0.71 1.42 3.45 -1.69 -2.50 116.42 115.62 1ypi h ASP 180 Ca -0.00 0.03 0.06 0.00 0.43 0.00 0.00 57.03 57.55 1ypi h ASP 180 Cb 0.28 0.20 -0.09 0.00 -0.56 0.00 0.00 39.33 39.16 1ypi h ASP 180 CO 0.02 -0.43 -0.42 0.00 -1.57 0.00 0.00 179.24 176.84 1ypi h ALA 181 N -1.35 -0.39 -0.66 3.45 0.00 -0.07 -1.82 119.26 118.43 1ypi h ALA 181 Ca -0.09 0.08 0.13 0.00 0.00 0.00 0.00 54.91 55.03 1ypi h ALA 181 Cb 0.70 1.27 -0.12 0.00 0.00 0.00 0.00 17.79 19.63 1ypi h ALA 181 CO 0.15 -0.69 -0.16 0.37 0.00 0.00 0.00 179.25 178.93 1ypi h GLN 182 N -0.00 0.01 0.01 0.00 5.75 -0.09 -0.79 115.11 119.99 1ypi h GLN 182 Ca 0.11 -0.00 0.02 0.00 -0.15 0.00 0.00 58.65 58.63 1ypi h GLN 182 Cb 0.29 -0.00 -0.05 0.00 1.07 0.00 0.00 27.48 28.79 1ypi h GLN 182 CO -0.67 0.00 -0.49 -0.44 -2.65 0.00 0.00 178.83 174.58 1ypi h ASP 183 N 0.01 -1.52 0.37 -0.69 5.19 -0.88 -1.24 116.42 117.65 1ypi h ASP 183 Ca 0.32 0.17 -0.00 0.00 -0.62 0.00 0.00 57.03 56.89 1ypi h ASP 183 Cb 0.49 0.58 -0.02 0.00 0.18 0.00 0.00 39.33 40.55 1ypi h ASP 183 CO -0.67 -0.48 -0.38 0.40 -3.12 0.00 0.00 179.24 174.99 1ypi h ILE 184 N -0.62 0.23 -0.78 0.35 2.04 -0.67 -1.92 117.51 116.13 1ypi h ILE 184 Ca 0.01 0.00 0.13 0.00 1.00 0.00 0.00 64.86 66.00 1ypi h ILE 184 Cb 0.66 0.23 -0.09 0.00 -0.74 0.00 0.00 36.82 36.89 1ypi h ILE 184 CO -0.33 0.00 0.37 0.45 0.00 0.00 0.00 178.15 178.64 1ypi h HIS 185 N -0.77 0.65 -0.91 1.37 3.86 -1.15 0.28 115.15 118.47 1ypi h HIS 185 Ca -0.03 0.03 0.10 0.00 -1.16 0.00 0.00 60.37 59.31 1ypi h HIS 185 Cb 0.70 -0.17 -0.07 0.00 1.06 0.00 0.00 27.41 28.92 1ypi h HIS 185 CO -0.21 0.15 0.55 0.00 0.86 0.00 0.00 177.93 179.28 1ypi h ALA 186 N 1.52 1.31 -0.15 2.45 0.00 -1.02 0.15 119.26 123.53 1ypi h ALA 186 Ca 0.42 0.02 -0.17 0.00 0.00 0.00 0.00 54.91 55.17 1ypi h ALA 186 Cb 0.58 -0.19 0.01 0.00 0.00 0.00 0.00 17.79 18.18 1ypi h ALA 186 CO -0.35 0.20 -0.58 0.77 0.00 0.00 0.00 179.25 179.29 1ypi h SER 187 N 0.93 0.76 1.60 0.00 0.02 -0.31 0.27 113.55 116.82 1ypi h SER 187 Ca 0.43 -0.62 -0.03 0.00 -0.84 0.00 0.00 61.79 60.73 1ypi h SER 187 Cb 0.36 -0.22 -0.00 0.00 0.14 0.00 0.00 62.40 62.67 1ypi h SER 187 CO -0.24 1.25 -0.15 -0.29 -1.14 0.00 0.00 176.83 176.27 1ypi h ILE 188 N 0.32 0.28 -0.03 3.27 2.10 0.08 -2.75 117.51 120.77 1ypi h ILE 188 Ca -0.03 -1.23 -0.11 0.00 1.08 0.00 0.00 64.86 64.57 1ypi h ILE 188 Cb 1.21 2.00 0.01 0.00 -1.09 0.00 0.00 36.82 38.95 1ypi h ILE 188 CO 0.12 0.14 -0.42 -0.09 -1.08 0.00 0.00 178.15 176.83 1ypi h ARG 189 N 0.00 0.34 -0.06 2.19 2.43 -0.59 -1.72 114.38 116.97 1ypi h ARG 189 Ca -0.00 -0.32 0.02 0.00 -0.81 0.00 0.00 59.98 58.86 1ypi h ARG 189 Cb 0.99 0.08 -0.00 0.00 -0.42 0.00 0.00 29.97 30.61 1ypi h ARG 189 CO 0.02 0.99 0.06 -0.22 -1.51 0.00 0.00 179.97 179.31 1ypi h LYS 190 N -0.20 0.00 0.16 0.20 3.11 -0.41 -2.80 116.57 116.64 1ypi h LYS 190 Ca -0.04 0.00 -0.34 0.00 -2.81 0.00 0.00 60.65 57.46 1ypi h LYS 190 Cb 1.11 0.00 0.00 0.00 -1.00 0.00 0.00 32.23 32.34 1ypi h LYS 190 CO 0.08 0.00 -1.73 0.35 -2.81 0.00 0.00 179.45 175.34 1ypi h PHE 191 N 0.00 0.60 0.00 1.91 3.57 -1.40 -3.26 116.94 118.36 1ypi h PHE 191 Ca 0.03 -0.44 0.00 0.00 3.53 0.00 0.00 57.97 61.09 1ypi h PHE 191 Cb 0.15 -0.02 0.00 0.00 2.79 0.00 0.00 35.95 38.87 1ypi h PHE 191 CO 0.00 1.60 0.00 -0.07 -2.23 0.00 0.00 178.31 177.61 1ypi h LEU 192 N 0.09 0.00 -0.16 0.59 3.38 -1.04 -2.85 115.31 115.32 1ypi h LEU 192 Ca -0.33 0.00 -0.12 0.00 0.09 0.00 0.00 57.88 57.52 1ypi h LEU 192 Cb 2.07 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.82 1ypi h LEU 192 CO 0.16 0.00 -0.37 0.00 0.09 0.00 0.00 178.44 178.32 1ypi h ALA 193 N 2.10 0.26 -0.04 1.53 0.00 -1.64 1.96 119.26 123.42 1ypi h ALA 193 Ca 0.00 -0.44 0.01 0.00 0.00 0.00 0.00 54.91 54.48 1ypi h ALA 193 Cb 0.57 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 18.32 1ypi h ALA 193 CO 0.00 0.34 0.04 0.66 0.00 0.00 0.00 179.25 180.29 1ypi h SER 194 N 0.16 0.00 0.00 0.00 4.64 -1.54 -0.77 113.55 116.04 1ypi h SER 194 Ca -0.00 0.00 -0.05 0.00 -0.47 0.00 0.00 61.79 61.26 1ypi h SER 194 Cb 0.98 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.06 1ypi h SER 194 CO 0.08 0.00 -1.35 0.29 -0.87 0.00 0.00 176.83 174.98 1ypi n LYS 195 N -3.93 1.57 -0.06 4.77 4.76 -1.15 -4.75 118.16 119.37 1ypi n LYS 195 Ca -0.02 -0.03 0.03 0.00 -2.87 0.00 0.00 58.31 55.42 1ypi n LYS 195 Cb 0.13 -1.15 0.06 0.00 -1.84 0.00 0.00 35.03 32.23 1ypi n LYS 195 CO 0.00 0.00 0.00 1.28 -1.37 0.00 0.00 177.40 177.31 1ypi n LEU 196 N -1.96 2.19 0.00 -0.35 7.99 0.66 -5.09 117.00 120.44 1ypi n LEU 196 Ca -0.05 -1.74 0.00 0.00 -0.01 0.00 0.00 56.01 54.21 1ypi n LEU 196 Cb 0.42 -0.08 0.00 0.00 -0.11 0.00 0.00 43.42 43.65 1ypi n LEU 196 CO 0.13 0.53 0.00 0.61 -1.51 0.00 0.00 177.39 177.15 1ypi n GLY 197 N 0.07 -2.57 0.29 -0.72 0.00 -0.31 -4.18 105.19 97.78 1ypi n GLY 197 Ca 0.05 -1.24 0.14 0.00 0.00 0.00 0.00 46.02 44.97 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 0.09 1.61 2.03 -1.92 -2.67 116.42 115.56 1ypi h ASP 198 Ca 0.00 0.00 -0.00 0.00 -0.73 0.00 0.00 57.03 56.30 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 0.01 -0.04 0.50 -1.03 0.00 0.00 179.24 178.68 1ypi h LYS 199 N 0.00 -0.12 -0.50 4.15 1.63 -1.94 0.54 116.57 120.33 1ypi h LYS 199 Ca -0.00 0.01 0.02 0.00 -0.85 0.00 0.00 60.65 59.83 1ypi h LYS 199 Cb 0.03 0.03 -0.03 0.00 -0.60 0.00 0.00 32.23 31.65 1ypi h LYS 199 CO 0.00 0.09 0.31 0.00 -3.45 0.00 0.00 179.45 176.40 1ypi h ALA 200 N 0.57 0.64 0.13 5.00 0.00 -1.68 -2.54 119.26 121.38 1ypi h ALA 200 Ca -0.01 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.87 1ypi h ALA 200 Cb 0.27 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 17.90 1ypi h ALA 200 CO 0.02 0.02 -0.06 0.00 0.00 0.00 0.00 179.25 179.23 1ypi h ALA 201 N 1.21 -0.18 0.00 0.00 0.00 -1.11 -2.24 119.26 116.95 1ypi h ALA 201 Ca 0.20 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.98 1ypi h ALA 201 Cb -0.01 0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.85 1ypi h ALA 201 CO -0.08 -0.50 0.00 0.66 0.00 0.00 0.00 179.25 179.34 1ypi h SER 202 N -0.38 0.00 0.09 0.00 4.64 0.26 -1.45 113.55 116.71 1ypi h SER 202 Ca -0.02 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.30 1ypi h SER 202 Cb 0.31 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.40 1ypi h SER 202 CO 0.03 0.00 -1.13 -0.62 -0.87 0.00 0.00 176.83 174.24 1ypi n GLU 203 N -2.33 0.14 -2.40 4.77 1.02 -0.88 -4.76 120.64 116.20 1ypi n GLU 203 Ca -0.01 -0.03 -0.42 0.00 -0.02 0.00 0.00 57.16 56.67 1ypi n GLU 203 Cb 0.05 -1.51 -0.03 0.00 -0.02 0.00 0.00 31.44 29.92 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 -3.36 4.33 -0.16 -4.62 1.98 -0.55 -4.67 118.68 111.63 1ypi s LEU 204 Ca 0.05 1.97 -0.18 0.00 -2.89 0.00 0.00 54.13 53.09 1ypi s LEU 204 Cb 0.16 -3.57 -0.04 0.00 0.66 0.00 0.00 46.19 43.40 1ypi s LEU 204 CO 0.86 -0.54 0.47 -0.13 -1.89 0.00 0.00 176.35 175.12 1ypi s ARG 205 N 1.59 4.26 -0.30 1.98 0.52 -1.26 -5.00 118.95 120.74 1ypi s ARG 205 Ca 0.59 0.39 -0.00 0.00 -0.52 0.00 0.00 55.73 56.18 1ypi s ARG 205 Cb -0.28 -3.50 0.06 0.00 0.52 0.00 0.00 34.95 31.75 1ypi s ARG 205 CO 0.27 0.02 -0.01 0.42 0.02 0.00 0.00 175.30 176.01 1ypi s ILE 206 N 1.09 2.74 0.31 1.52 1.01 -1.26 -0.48 121.20 126.13 1ypi s ILE 206 Ca 0.24 -1.56 -0.08 0.00 0.00 0.00 0.00 60.65 59.25 1ypi s ILE 206 Cb -0.15 -2.64 -0.06 0.00 0.01 0.00 0.00 42.46 39.62 1ypi s ILE 206 CO 0.09 -0.16 0.61 -0.76 0.00 0.00 0.00 174.94 174.73 1ypi s LEU 207 N 1.18 4.02 -0.30 2.97 1.02 -0.39 -0.67 118.68 126.51 1ypi s LEU 207 Ca -0.04 0.88 -0.12 0.00 0.02 0.00 0.00 54.13 54.86 1ypi s LEU 207 Cb -0.20 -3.70 -0.04 0.00 0.02 0.00 0.00 46.19 42.27 1ypi s LEU 207 CO -0.03 -0.23 0.23 -0.47 0.02 0.00 0.00 176.35 175.88 1ypi s TYR 208 N -2.11 3.22 -0.35 0.29 6.14 -1.02 -0.90 117.35 122.62 1ypi s TYR 208 Ca 0.47 0.02 0.07 0.00 0.64 0.00 0.00 57.07 58.27 1ypi s TYR 208 Cb -0.11 -2.45 0.56 0.00 0.42 0.00 0.00 41.96 40.38 1ypi s TYR 208 CO 0.28 -0.25 1.62 0.41 0.64 0.00 0.00 175.55 178.25 1ypi n GLY 209 N 5.04 4.82 0.00 8.97 0.00 0.49 -1.40 105.19 123.10 1ypi n GLY 209 Ca -0.13 -1.23 0.00 0.00 0.00 0.00 0.00 46.02 44.66 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 -1.13 0.68 3.55 -0.02 0.00 -1.25 -4.56 105.19 102.46 1ypi n GLY 210 Ca 0.43 -1.91 -0.41 0.00 0.00 0.00 0.00 46.02 44.13 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 6.51 -0.15 1.61 0.01 -1.26 -4.77 113.70 114.65 1ypi s SER 211 Ca 0.00 -1.50 -0.06 0.00 1.31 0.00 0.00 55.95 55.70 1ypi s SER 211 Cb 0.00 -2.55 -0.04 0.00 0.21 0.00 0.00 66.02 63.64 1ypi s SER 211 CO 0.00 -1.46 0.07 0.00 0.41 0.00 0.00 173.24 172.25 1ypi s ALA 212 N 4.72 3.50 0.25 1.44 0.00 -1.26 -5.00 121.76 125.41 1ypi s ALA 212 Ca 0.44 -0.73 0.05 0.00 0.00 0.00 0.00 51.96 51.72 1ypi s ALA 212 Cb -0.01 -1.84 -0.02 0.00 0.00 0.00 0.00 23.12 21.25 1ypi s ALA 212 CO -0.09 0.37 0.17 0.27 0.00 0.00 0.00 175.76 176.48 1ypi n ASN 213 N 2.87 0.01 -0.23 0.00 0.23 -1.26 -4.69 115.26 112.18 1ypi n ASN 213 Ca -0.18 -2.56 0.01 0.00 -0.53 0.00 0.00 54.58 51.33 1ypi n ASN 213 Cb 0.53 1.05 0.13 0.00 -2.08 0.00 0.00 39.78 39.41 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 1.36 1.01 1.42 4.83 0.00 -1.94 0.16 103.07 109.91 1ypi h GLY 214 Ca -0.19 -0.19 -0.22 0.00 0.00 0.00 0.00 47.33 46.73 1ypi h GLY 214 CO 0.28 0.03 -0.88 0.23 0.00 0.00 0.00 176.54 176.19 1ypi h SER 215 N 0.54 0.68 -0.14 0.19 0.87 -1.96 -3.37 113.55 110.36 1ypi h SER 215 Ca 0.34 -0.50 0.00 0.00 -1.23 0.00 0.00 61.79 60.40 1ypi h SER 215 Cb 0.39 -0.20 0.00 0.00 -0.44 0.00 0.00 62.40 62.14 1ypi h SER 215 CO -0.29 1.29 0.00 -0.46 -0.53 0.00 0.00 176.83 176.84 1ypi n ASN 216 N -3.83 2.51 -0.22 6.23 0.23 -1.07 -4.46 115.26 114.65 1ypi n ASN 216 Ca -0.07 -1.72 0.11 0.00 -0.53 0.00 0.00 54.58 52.37 1ypi n ASN 216 Cb 0.80 -0.09 0.40 0.00 -2.08 0.00 0.00 39.78 38.81 1ypi n ASN 216 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1ypi h ALA 217 N 2.83 1.87 0.00 -2.53 0.00 -0.83 0.11 119.26 120.71 1ypi h ALA 217 Ca 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 54.91 54.90 1ypi h ALA 217 Cb 0.67 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 18.33 1ypi h ALA 217 CO 0.00 -0.06 -0.08 -0.24 0.00 0.00 0.00 179.25 178.87 1ypi h VAL 218 N 0.64 1.00 0.00 0.00 3.04 -1.81 -1.74 116.25 117.38 1ypi h VAL 218 Ca 0.39 -0.28 0.00 0.00 -1.01 0.00 0.00 66.70 65.80 1ypi h VAL 218 Cb 0.63 1.15 0.00 0.00 -2.01 0.00 0.00 31.29 31.06 1ypi h VAL 218 CO -0.16 0.08 0.00 0.35 -1.01 0.00 0.00 177.57 176.83 1ypi n THR 219 N -4.36 0.78 0.85 3.17 -2.24 0.38 -2.80 114.28 110.06 1ypi n THR 219 Ca -0.03 0.19 0.12 0.00 -2.27 0.00 0.00 64.05 62.07 1ypi n THR 219 Cb 0.16 -1.01 0.13 0.00 -2.10 0.00 0.00 70.33 67.51 1ypi n THR 219 CO 0.00 0.00 0.00 0.49 -0.57 0.00 0.00 175.07 174.99 1ypi n PHE 220 N -1.31 0.11 -0.80 4.78 3.72 -0.65 -4.85 117.46 118.46 1ypi n PHE 220 Ca 0.05 -0.05 -0.30 0.00 -0.05 0.00 0.00 57.45 57.09 1ypi n PHE 220 Cb 0.10 0.00 0.17 0.00 -0.94 0.00 0.00 39.48 38.80 1ypi n PHE 220 CO 0.00 0.00 0.00 0.15 -0.05 0.00 0.00 176.76 176.86 1ypi s LYS 221 N -1.89 0.85 0.00 -1.08 1.02 -1.12 -1.67 119.74 115.85 1ypi s LYS 221 Ca 0.30 1.29 0.00 0.00 0.02 0.00 0.00 55.97 57.58 1ypi s LYS 221 Cb 0.21 -1.73 0.00 0.00 -0.52 0.00 0.00 37.83 35.79 1ypi s LYS 221 CO 0.30 -2.66 0.00 -0.25 -0.92 0.00 0.00 175.35 171.83 1ypi n ASP 222 N -4.23 0.00 -4.49 2.83 10.43 -1.26 -4.91 116.55 114.92 1ypi n ASP 222 Ca 0.09 0.00 -0.43 0.00 2.57 0.00 0.00 54.79 57.02 1ypi n ASP 222 Cb 0.53 -1.74 -0.06 0.00 1.84 0.00 0.00 41.12 41.69 1ypi n ASP 222 CO 0.00 0.00 0.00 -0.54 -1.07 0.00 0.00 177.20 175.59 1ypi s LYS 223 N -0.61 3.22 0.54 -1.24 -0.14 -0.67 -4.93 119.74 115.92 1ypi s LYS 223 Ca 0.00 -0.56 0.31 0.00 -1.36 0.00 0.00 55.97 54.36 1ypi s LYS 223 Cb 0.00 -4.02 1.53 0.00 -1.68 0.00 0.00 37.83 33.66 1ypi s LYS 223 CO 0.00 -1.16 2.08 0.00 -0.76 0.00 0.00 175.35 175.51 1ypi h ALA 224 N 8.99 1.17 -0.21 5.17 0.00 -1.91 -3.06 119.26 129.41 1ypi h ALA 224 Ca -0.26 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.56 1ypi h ALA 224 Cb 1.09 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.87 1ypi h ALA 224 CO 0.95 0.11 0.00 -0.25 0.00 0.00 0.00 179.25 180.06 1ypi n ASP 225 N -3.45 2.82 -4.32 0.00 9.92 -1.26 -4.81 116.55 115.46 1ypi n ASP 225 Ca -0.01 -1.83 -0.40 0.00 -0.53 0.00 0.00 54.79 52.02 1ypi n ASP 225 Cb 0.24 -0.13 -0.10 0.00 -0.64 0.00 0.00 41.12 40.48 1ypi n ASP 225 CO 0.00 0.00 0.00 0.54 0.13 0.00 0.00 177.20 177.87 1ypi s VAL 226 N -1.28 4.39 -1.74 2.53 0.11 -1.16 -4.64 120.40 118.61 1ypi s VAL 226 Ca 0.26 -1.16 0.13 0.00 -2.93 0.00 0.00 61.98 58.29 1ypi s VAL 226 Cb 0.16 -3.58 0.43 0.00 -1.53 0.00 0.00 36.38 31.87 1ypi s VAL 226 CO 0.23 -0.39 1.34 0.47 -3.33 0.00 0.00 175.10 173.42 1ypi n ASP 227 N 4.96 2.78 0.00 3.54 8.00 0.16 -4.86 116.55 131.13 1ypi n ASP 227 Ca -0.11 -2.10 0.00 0.00 0.71 0.00 0.00 54.79 53.29 1ypi n ASP 227 Cb 0.44 -0.37 0.00 0.00 -0.02 0.00 0.00 41.12 41.17 1ypi n ASP 227 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1ypi n GLY 228 N 1.10 -0.14 3.31 0.44 0.00 -1.26 -2.15 105.19 106.50 1ypi n GLY 228 Ca 0.16 -1.29 -0.14 0.00 0.00 0.00 0.00 46.02 44.75 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 -3.03 -0.29 -0.42 1.61 0.08 -0.37 -2.42 117.98 113.14 1ypi s PHE 229 Ca 0.00 0.42 -0.05 0.00 0.12 0.00 0.00 56.93 57.42 1ypi s PHE 229 Cb 0.00 0.18 0.10 0.00 -0.57 0.00 0.00 43.02 42.73 1ypi s PHE 229 CO 0.00 -0.47 0.23 -1.17 -0.10 0.00 0.00 175.22 173.72 1ypi s LEU 230 N -1.43 5.25 0.26 -0.37 2.96 -0.50 -0.07 118.68 124.78 1ypi s LEU 230 Ca -0.11 -1.87 -0.01 0.00 -0.22 0.00 0.00 54.13 51.92 1ypi s LEU 230 Cb -0.03 -1.89 -0.04 0.00 0.50 0.00 0.00 46.19 44.73 1ypi s LEU 230 CO 0.04 -0.56 0.46 0.68 -1.32 0.00 0.00 176.35 175.65 1ypi s VAL 231 N 1.25 5.15 0.00 1.68 -7.23 0.55 -4.35 120.40 117.45 1ypi s VAL 231 Ca 0.06 -0.34 0.00 0.00 -1.81 0.00 0.00 61.98 59.88 1ypi s VAL 231 Cb -0.23 -3.77 0.00 0.00 0.56 0.00 0.00 36.38 32.93 1ypi s VAL 231 CO -0.02 -0.30 0.00 0.61 -0.31 0.00 0.00 175.10 175.08 1ypi n GLY 232 N -1.03 0.38 0.27 2.32 0.00 -1.26 -0.41 105.19 105.47 1ypi n GLY 232 Ca -0.04 0.00 0.03 0.00 0.00 0.00 0.00 46.02 46.01 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 0.39 0.71 -0.02 0.00 -1.92 -2.07 103.07 100.16 1ypi h GLY 233 Ca 0.00 -0.19 0.15 0.00 0.00 0.00 0.00 47.33 47.29 1ypi h GLY 233 CO 0.00 0.18 0.50 0.00 0.00 0.00 0.00 176.54 177.22 1ypi h ALA 234 N 1.69 2.26 -0.79 3.60 0.00 -1.91 -1.64 119.26 122.48 1ypi h ALA 234 Ca 0.09 -0.02 0.10 0.00 0.00 0.00 0.00 54.91 55.08 1ypi h ALA 234 Cb 0.18 0.04 -0.05 0.00 0.00 0.00 0.00 17.79 17.95 1ypi h ALA 234 CO -0.00 -0.76 0.51 1.03 0.00 0.00 0.00 179.25 180.03 1ypi h SER 235 N 0.00 0.62 -0.31 0.00 0.87 -1.67 -1.95 113.55 111.12 1ypi h SER 235 Ca 0.24 0.02 0.00 0.00 -1.23 0.00 0.00 61.79 60.82 1ypi h SER 235 Cb 1.24 -0.11 0.00 0.00 -0.44 0.00 0.00 62.40 63.09 1ypi h SER 235 CO -0.00 0.36 0.00 0.18 -0.53 0.00 0.00 176.83 176.84 1ypi n LEU 236 N -4.51 2.53 -4.48 2.23 4.77 -0.62 -4.87 117.00 112.06 1ypi n LEU 236 Ca 0.13 -1.11 -0.24 0.00 -0.03 0.00 0.00 56.01 54.77 1ypi n LEU 236 Cb 0.36 -0.20 -0.10 0.00 -2.33 0.00 0.00 43.42 41.15 1ypi n LEU 236 CO 0.32 0.55 -0.46 -0.54 -1.33 0.00 0.00 177.39 175.93 1ypi s LYS 237 N -1.61 1.69 0.30 3.23 1.02 -0.73 -4.94 119.74 118.70 1ypi s LYS 237 Ca 0.35 -1.79 0.02 0.00 0.02 0.00 0.00 55.97 54.56 1ypi s LYS 237 Cb 0.19 -1.72 0.74 0.00 -0.52 0.00 0.00 37.83 36.53 1ypi s LYS 237 CO 0.28 0.29 1.54 -2.30 -0.92 0.00 0.00 175.35 174.23 1ypi n PRO 238 N -0.64 -0.08 0.00 -1.68 -0.02 -1.26 0.69 135.00 132.01 1ypi n PRO 238 Ca -0.05 1.47 0.06 0.00 -2.02 0.00 0.00 63.50 62.97 1ypi n PRO 238 Cb 0.61 -2.34 0.38 0.00 -0.02 0.00 0.00 33.50 32.13 1ypi n PRO 238 CO 0.00 0.00 0.00 -0.85 1.98 0.00 0.00 175.50 176.63 1ypi n GLU 239 N -5.48 0.45 -0.31 -0.52 0.28 -1.26 -2.82 120.64 110.98 1ypi n GLU 239 Ca 0.23 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 57.23 1ypi n GLU 239 Cb 0.75 -1.45 0.13 0.00 1.43 0.00 0.00 31.44 32.31 1ypi n GLU 239 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 177.13 177.32 1ypi h PHE 240 N 0.00 0.99 -0.41 -1.84 3.57 0.25 -2.13 116.94 117.37 1ypi h PHE 240 Ca 0.00 0.03 0.08 0.00 3.53 0.00 0.00 57.97 61.61 1ypi h PHE 240 Cb 0.00 -0.32 -0.07 0.00 2.79 0.00 0.00 35.95 38.35 1ypi h PHE 240 CO 0.00 0.52 -0.04 0.28 -2.23 0.00 0.00 178.31 176.84 1ypi h VAL 241 N 0.99 0.65 0.00 1.41 2.07 -1.73 0.35 116.25 119.99 1ypi h VAL 241 Ca 0.37 -0.02 -0.03 0.00 0.82 0.00 0.00 66.70 67.84 1ypi h VAL 241 Cb 0.13 0.57 -0.00 0.00 -1.52 0.00 0.00 31.29 30.47 1ypi h VAL 241 CO -0.16 0.01 -0.13 0.44 0.02 0.00 0.00 177.57 177.75 1ypi h ASP 242 N 0.07 0.00 -0.22 0.57 3.45 -1.58 0.13 116.42 118.84 1ypi h ASP 242 Ca 0.20 0.00 -0.07 0.00 0.43 0.00 0.00 57.03 57.59 1ypi h ASP 242 Cb 0.30 0.00 -0.00 0.00 -0.56 0.00 0.00 39.33 39.07 1ypi h ASP 242 CO -0.37 0.13 -0.14 0.40 -1.57 0.00 0.00 179.24 177.69 1ypi h ILE 243 N 0.00 1.31 -0.28 0.35 2.04 -0.25 -1.53 117.51 119.15 1ypi h ILE 243 Ca -0.00 -1.24 0.07 0.00 1.00 0.00 0.00 64.86 64.68 1ypi h ILE 243 Cb 0.54 1.66 -0.07 0.00 -0.74 0.00 0.00 36.82 38.21 1ypi h ILE 243 CO 0.02 0.38 -0.19 0.40 0.00 0.00 0.00 178.15 178.76 1ypi h ILE 244 N 0.17 0.48 -0.12 -0.67 2.04 0.15 -1.72 117.51 117.84 1ypi h ILE 244 Ca 0.04 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.90 1ypi h ILE 244 Cb 0.65 0.48 0.00 0.00 -0.74 0.00 0.00 36.82 37.21 1ypi h ILE 244 CO 0.04 0.00 0.00 0.59 0.00 0.00 0.00 178.15 178.78 1ypi n ASN 245 N -5.35 0.92 -0.00 1.72 5.03 -0.59 -4.38 115.26 112.61 1ypi n ASN 245 Ca -0.00 -2.03 -0.03 0.00 0.87 0.00 0.00 54.58 53.39 1ypi n ASN 245 Cb 0.26 -0.18 0.21 0.00 -1.02 0.00 0.00 39.78 39.05 1ypi n ASN 245 CO 0.00 0.00 0.00 0.77 -1.83 0.00 0.00 177.26 176.20 1ypi h SER 246 N 0.74 0.52 0.61 6.41 4.64 -0.31 -3.26 113.55 122.90 1ypi h SER 246 Ca 0.00 -0.16 0.00 0.00 -0.47 0.00 0.00 61.79 61.16 1ypi h SER 246 Cb 0.29 -0.14 0.00 0.00 -0.31 0.00 0.00 62.40 62.24 1ypi h SER 246 CO 0.02 0.72 0.00 0.54 -0.87 0.00 0.00 176.83 177.24 1ypi n ARG 247 N -4.15 0.10 0.00 4.77 5.12 -1.26 -4.88 116.66 116.36 1ypi n ARG 247 Ca 0.00 0.35 0.00 0.00 -1.93 0.00 0.00 57.85 56.27 1ypi n ARG 247 Cb 0.37 -1.70 0.00 0.00 -1.16 0.00 0.00 32.46 29.97 1ypi n ARG 247 CO 0.00 0.00 0.00 0.09 -1.93 0.00 0.00 177.63 175.79