#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ies s LEU 3 N 0.00 4.10 0.47 0.99 1.43 -1.26 -0.31 118.68 124.10 2ies s LEU 3 Ca 0.00 0.75 -0.24 0.00 -1.03 0.00 0.00 54.13 53.61 2ies s LEU 3 Cb 0.00 -3.55 -0.07 0.00 0.03 0.00 0.00 46.19 42.60 2ies s LEU 3 CO 0.00 -0.15 1.41 -1.61 0.23 0.00 0.00 176.35 176.23 2ies s GLU 4 N -3.31 3.55 0.32 1.70 2.02 0.12 -4.66 118.70 118.44 2ies s GLU 4 Ca 0.44 2.37 0.06 0.00 0.02 0.00 0.00 54.97 57.86 2ies s GLU 4 Cb -0.11 -2.56 -0.06 0.00 0.10 0.00 0.00 34.13 31.50 2ies s GLU 4 CO 0.28 -0.91 -0.00 0.15 0.02 0.00 0.00 175.26 174.80 2ies s LYS 5 N -2.56 1.65 0.22 1.61 1.02 -1.26 -2.29 119.74 118.14 2ies s LYS 5 Ca 0.64 -1.89 -0.23 0.00 0.02 0.00 0.00 55.97 54.51 2ies s LYS 5 Cb -0.43 -1.11 0.04 0.00 -0.52 0.00 0.00 37.83 35.81 2ies s LYS 5 CO 0.54 -0.07 0.85 -0.08 -0.92 0.00 0.00 175.35 175.68 2ies s THR 6 N -3.08 0.00 0.37 2.17 -1.32 -1.04 -1.60 115.64 111.14 2ies s THR 6 Ca 0.33 -0.83 -0.24 0.00 -1.21 0.00 0.00 61.69 59.75 2ies s THR 6 Cb 0.07 -2.09 -0.10 0.00 -1.51 0.00 0.00 72.50 68.87 2ies s THR 6 CO 0.14 0.00 0.96 0.68 -2.21 0.00 0.00 174.62 174.19 2ies s VAL 7 N -3.45 4.21 0.20 5.08 -7.23 -1.26 0.89 120.40 118.84 2ies s VAL 7 Ca 0.12 1.65 -0.11 0.00 -1.81 0.00 0.00 61.98 61.83 2ies s VAL 7 Cb -0.04 -3.83 0.13 0.00 0.56 0.00 0.00 36.38 33.20 2ies s VAL 7 CO 0.05 -0.03 1.87 0.11 -0.31 0.00 0.00 175.10 176.79 2ies h LYS 8 N 2.66 0.91 -3.34 4.82 1.57 -1.29 -3.44 116.57 118.47 2ies h LYS 8 Ca -0.48 -0.05 -0.05 0.00 -1.87 0.00 0.00 60.65 58.20 2ies h LYS 8 Cb 1.19 -0.20 -0.04 0.00 0.08 0.00 0.00 32.23 33.25 2ies h LYS 8 CO 0.63 0.60 0.10 -1.83 -0.57 0.00 0.00 179.45 178.38 2ies s GLU 9 N -6.14 1.92 0.19 3.15 -1.05 -1.26 -5.03 118.70 110.48 2ies s GLU 9 Ca -0.13 -1.34 -0.33 0.00 -0.15 0.00 0.00 54.97 53.02 2ies s GLU 9 Cb 0.14 0.56 -0.14 0.00 -0.44 0.00 0.00 34.13 34.25 2ies s GLU 9 CO 0.77 -0.86 1.51 1.63 0.95 0.00 0.00 175.26 179.26 2ies n LYS 10 N -0.49 2.09 -5.04 -4.83 5.02 -1.26 -4.79 118.16 108.86 2ies n LYS 10 Ca -0.04 0.75 -0.28 0.00 -2.02 0.00 0.00 58.31 56.72 2ies n LYS 10 Cb 0.60 -2.47 -0.16 0.00 -0.02 0.00 0.00 35.03 32.98 2ies n LYS 10 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 2ies s LEU 11 N 0.55 2.02 0.06 -0.35 1.43 -0.91 -4.96 118.68 116.52 2ies s LEU 11 Ca 0.74 -0.40 0.04 0.00 -1.03 0.00 0.00 54.13 53.49 2ies s LEU 11 Cb -0.67 -1.11 -0.03 0.00 0.03 0.00 0.00 46.19 44.41 2ies s LEU 11 CO 0.43 0.24 -0.12 -0.94 0.23 0.00 0.00 176.35 176.19 2ies s SER 12 N -0.38 1.44 0.02 2.29 1.04 -1.26 0.14 113.70 116.99 2ies s SER 12 Ca 0.05 -0.60 -0.05 0.00 0.48 0.00 0.00 55.95 55.84 2ies s SER 12 Cb -0.09 -0.02 -0.01 0.00 0.10 0.00 0.00 66.02 65.99 2ies s SER 12 CO 0.00 -0.11 0.07 -0.36 0.98 0.00 0.00 173.24 173.82 2ies s PHE 13 N -1.30 0.18 0.05 5.02 0.40 -0.77 -4.97 117.98 116.58 2ies s PHE 13 Ca -0.04 -0.41 -0.18 0.00 -0.60 0.00 0.00 56.93 55.70 2ies s PHE 13 Cb -0.10 -0.13 0.04 0.00 0.51 0.00 0.00 43.02 43.33 2ies s PHE 13 CO 0.02 -0.30 0.41 -1.83 0.70 0.00 0.00 175.22 174.22 2ies s GLU 14 N -1.99 0.92 0.00 0.44 -1.05 -1.26 0.18 118.70 115.95 2ies s GLU 14 Ca -0.10 -0.39 0.00 0.00 -0.15 0.00 0.00 54.97 54.32 2ies s GLU 14 Cb -0.05 0.41 0.00 0.00 -0.44 0.00 0.00 34.13 34.05 2ies s GLU 14 CO -0.02 -0.32 0.00 0.41 0.95 0.00 0.00 175.26 176.28 2ies n GLY 15 N 0.46 -0.48 3.77 -3.83 0.00 -0.99 -4.93 105.19 99.19 2ies n GLY 15 Ca -0.18 -1.25 -0.37 0.00 0.00 0.00 0.00 46.02 44.21 2ies n GLY 15 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2ies s VAL 16 N -2.00 3.18 0.16 1.61 0.11 -1.26 -2.56 120.40 119.64 2ies s VAL 16 Ca 0.00 0.88 -0.23 0.00 -2.93 0.00 0.00 61.98 59.70 2ies s VAL 16 Cb 0.00 -3.44 -0.08 0.00 -1.53 0.00 0.00 36.38 31.33 2ies s VAL 16 CO 0.00 -0.01 0.72 -0.83 -3.33 0.00 0.00 175.10 171.65 2ies s GLY 17 N -1.39 2.81 0.26 6.54 0.00 0.37 -2.14 107.32 113.76 2ies s GLY 17 Ca 0.63 0.26 -0.02 0.00 0.00 0.00 0.00 44.72 45.58 2ies s GLY 17 CO 0.34 0.71 1.76 1.19 0.00 0.00 0.00 173.10 177.10 2ies h ILE 18 N 3.24 1.24 0.00 0.90 2.10 -1.87 -2.20 117.51 120.92 2ies h ILE 18 Ca -0.48 -1.00 -0.09 0.00 1.08 0.00 0.00 64.86 64.38 2ies h ILE 18 Cb 1.20 0.85 -0.01 0.00 -1.09 0.00 0.00 36.82 37.77 2ies h ILE 18 CO 0.65 0.35 -0.75 0.45 -1.08 0.00 0.00 178.15 177.77 2ies h HIS 19 N 0.77 0.00 0.00 2.19 3.86 -1.93 0.51 115.15 120.55 2ies h HIS 19 Ca 0.15 0.00 -0.03 0.00 -1.16 0.00 0.00 60.37 59.33 2ies h HIS 19 Cb 0.45 0.00 -0.00 0.00 1.06 0.00 0.00 27.41 28.91 2ies h HIS 19 CO 0.02 0.59 -0.16 1.79 0.86 0.00 0.00 177.93 181.04 2ies h THR 20 N -1.00 1.04 0.00 2.45 1.35 -1.93 0.51 112.91 115.33 2ies h THR 20 Ca -0.13 -0.56 0.00 0.00 -0.55 0.00 0.00 66.41 65.17 2ies h THR 20 Cb 0.79 1.31 0.00 0.00 -1.73 0.00 0.00 68.15 68.52 2ies h THR 20 CO -0.08 0.16 0.00 0.61 -0.25 0.00 0.00 175.52 175.96 2ies n GLY 21 N -1.02 0.56 3.95 5.82 0.00 -0.83 -4.66 105.19 109.02 2ies n GLY 21 Ca -0.02 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.76 2ies n GLY 21 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2ies s GLU 22 N -0.35 3.47 0.37 1.61 2.02 -1.26 -4.74 118.70 119.82 2ies s GLU 22 Ca 0.00 -0.51 -0.19 0.00 0.02 0.00 0.00 54.97 54.29 2ies s GLU 22 Cb 0.00 -2.79 -0.10 0.00 0.10 0.00 0.00 34.13 31.34 2ies s GLU 22 CO 0.00 0.31 0.85 -0.47 0.02 0.00 0.00 175.26 175.97 2ies s TYR 23 N -2.10 3.38 0.14 1.61 5.04 -1.26 -0.48 117.35 123.68 2ies s TYR 23 Ca 0.37 1.45 -0.18 0.00 -2.44 0.00 0.00 57.07 56.28 2ies s TYR 23 Cb -0.10 -2.72 0.04 0.00 0.35 0.00 0.00 41.96 39.54 2ies s TYR 23 CO 0.32 0.02 0.46 -1.54 -1.34 0.00 0.00 175.55 173.47 2ies s SER 24 N -2.15 -0.31 0.04 4.32 1.04 -1.06 -4.79 113.70 110.79 2ies s SER 24 Ca 0.57 -0.28 0.03 0.00 0.48 0.00 0.00 55.95 56.76 2ies s SER 24 Cb -0.11 0.52 -0.02 0.00 0.10 0.00 0.00 66.02 66.51 2ies s SER 24 CO 0.16 -0.91 -0.11 -0.75 0.98 0.00 0.00 173.24 172.61 2ies s LYS 25 N -3.81 0.69 0.13 4.02 2.20 -0.98 -2.36 119.74 119.64 2ies s LYS 25 Ca 0.04 -0.72 0.09 0.00 -0.36 0.00 0.00 55.97 55.01 2ies s LYS 25 Cb 0.01 -0.61 -0.04 0.00 -1.51 0.00 0.00 37.83 35.68 2ies s LYS 25 CO -0.11 0.14 -0.15 -0.51 -0.36 0.00 0.00 175.35 174.36 2ies s LEU 26 N -1.28 2.80 -0.29 5.43 1.43 0.48 -1.52 118.68 125.74 2ies s LEU 26 Ca -0.03 -0.54 -0.00 0.00 -1.03 0.00 0.00 54.13 52.52 2ies s LEU 26 Cb -0.08 -1.60 0.14 0.00 0.03 0.00 0.00 46.19 44.68 2ies s LEU 26 CO 0.01 0.16 0.32 -0.63 0.23 0.00 0.00 176.35 176.45 2ies s ILE 27 N -1.27 -0.47 -0.29 -0.59 1.01 -0.88 -1.84 121.20 116.87 2ies s ILE 27 Ca 0.20 -0.41 -0.27 0.00 0.00 0.00 0.00 60.65 60.17 2ies s ILE 27 Cb -0.10 -0.97 0.01 0.00 0.01 0.00 0.00 42.46 41.40 2ies s ILE 27 CO 0.12 -0.40 0.94 -0.63 0.00 0.00 0.00 174.94 174.97 2ies s ILE 28 N 2.41 4.67 -0.08 2.92 1.09 0.36 -1.66 121.20 130.92 2ies s ILE 28 Ca 0.09 1.57 -0.09 0.00 -1.10 0.00 0.00 60.65 61.13 2ies s ILE 28 Cb -0.14 -4.27 -0.05 0.00 -1.06 0.00 0.00 42.46 36.95 2ies s ILE 28 CO -0.31 -0.31 0.22 -1.00 -0.10 0.00 0.00 174.94 173.45 2ies s HIS 29 N 3.24 3.63 0.45 3.97 3.76 0.91 -2.15 115.29 129.10 2ies s HIS 29 Ca 0.39 0.66 -0.22 0.00 -0.15 0.00 0.00 55.06 55.75 2ies s HIS 29 Cb -0.14 -2.04 -0.09 0.00 1.11 0.00 0.00 32.58 31.43 2ies s HIS 29 CO 0.12 0.71 1.04 -2.14 -0.85 0.00 0.00 174.74 173.61 2ies s PRO 30 N -1.09 3.96 0.02 8.40 0.02 -1.26 -1.19 135.00 143.86 2ies s PRO 30 Ca 0.18 1.41 0.01 0.00 0.02 0.00 0.00 61.00 62.62 2ies s PRO 30 Cb -0.13 -2.27 -0.02 0.00 0.02 0.00 0.00 34.50 32.10 2ies s PRO 30 CO 0.07 -0.31 -0.05 -1.21 -0.33 0.00 0.00 177.00 175.18 2ies s GLU 31 N -2.95 0.36 1.03 5.54 0.41 -1.21 -4.78 118.70 117.10 2ies s GLU 31 Ca 0.63 -0.50 -0.16 0.00 -0.41 0.00 0.00 54.97 54.54 2ies s GLU 31 Cb -0.18 -0.15 0.05 0.00 -1.78 0.00 0.00 34.13 32.08 2ies s GLU 31 CO 0.22 0.02 0.14 0.36 -0.49 0.00 0.00 175.26 175.51 2ies n LYS 32 N 2.02 -0.85 -0.70 1.61 2.85 -1.26 -4.74 118.16 117.09 2ies n LYS 32 Ca -0.20 -0.22 -0.31 0.00 -1.05 0.00 0.00 58.31 56.53 2ies n LYS 32 Cb 0.56 -1.73 0.17 0.00 -0.65 0.00 0.00 35.03 33.38 2ies n LYS 32 CO 0.00 0.00 0.00 -1.21 -0.05 0.00 0.00 177.40 176.14 2ies s GLU 33 N -3.45 0.88 0.00 -1.58 2.02 -1.26 -2.85 118.70 112.46 2ies s GLU 33 Ca 0.55 1.49 0.00 0.00 0.02 0.00 0.00 54.97 57.03 2ies s GLU 33 Cb -0.16 -1.72 0.00 0.00 0.10 0.00 0.00 34.13 32.35 2ies s GLU 33 CO 0.67 -2.71 0.00 0.41 0.02 0.00 0.00 175.26 173.66 2ies n GLY 34 N 0.22 0.18 0.40 -1.39 0.00 -1.26 -4.84 105.19 98.50 2ies n GLY 34 Ca 0.11 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.98 2ies n GLY 34 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 2ies h THR 35 N 0.00 0.01 0.00 2.61 2.02 -1.86 -3.50 112.91 112.19 2ies h THR 35 Ca 0.00 -0.28 0.00 0.00 0.77 0.00 0.00 66.41 66.90 2ies h THR 35 Cb 0.00 0.01 0.00 0.00 -1.74 0.00 0.00 68.15 66.42 2ies h THR 35 CO 0.00 0.00 0.00 0.61 0.37 0.00 0.00 175.52 176.50 2ies n GLY 36 N -0.72 -3.09 3.68 2.16 0.00 -1.21 -4.95 105.19 101.06 2ies n GLY 36 Ca -0.12 -2.15 -0.37 0.00 0.00 0.00 0.00 46.02 43.38 2ies n GLY 36 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2ies s ILE 37 N -0.84 5.33 -0.09 -0.61 1.09 -1.05 -1.59 121.20 123.44 2ies s ILE 37 Ca 0.00 0.32 -0.15 0.00 -1.10 0.00 0.00 60.65 59.72 2ies s ILE 37 Cb 0.00 -3.55 0.03 0.00 -1.06 0.00 0.00 42.46 37.88 2ies s ILE 37 CO 0.00 0.34 0.37 0.00 -0.10 0.00 0.00 174.94 175.56 2ies s ARG 38 N 0.96 0.57 0.41 2.79 1.70 -1.12 -1.30 118.95 122.96 2ies s ARG 38 Ca 0.11 0.23 0.01 0.00 -0.47 0.00 0.00 55.73 55.60 2ies s ARG 38 Cb -0.13 0.27 -0.01 0.00 -0.57 0.00 0.00 34.95 34.50 2ies s ARG 38 CO 0.04 -0.12 0.62 -0.06 -1.08 0.00 0.00 175.30 174.70 2ies s PHE 39 N -0.49 3.29 -0.13 5.89 0.40 0.36 -0.73 117.98 126.57 2ies s PHE 39 Ca -0.06 0.23 -0.02 0.00 -0.60 0.00 0.00 56.93 56.48 2ies s PHE 39 Cb -0.04 -2.18 0.04 0.00 0.51 0.00 0.00 43.02 41.36 2ies s PHE 39 CO 0.03 -0.20 0.03 0.12 0.70 0.00 0.00 175.22 175.89 2ies s PHE 40 N -2.46 0.69 -0.04 0.36 5.36 0.17 -0.49 117.98 121.57 2ies s PHE 40 Ca 0.46 -0.42 0.00 0.00 -0.96 0.00 0.00 56.93 56.01 2ies s PHE 40 Cb -0.10 -0.85 0.03 0.00 -0.34 0.00 0.00 43.02 41.76 2ies s PHE 40 CO 0.37 -0.45 0.00 0.21 -1.46 0.00 0.00 175.22 173.89 2ies s LYS 41 N 1.97 0.37 -1.16 10.12 2.20 -0.37 -1.06 119.74 131.81 2ies s LYS 41 Ca 0.02 0.08 -0.27 0.00 -0.36 0.00 0.00 55.97 55.45 2ies s LYS 41 Cb -0.15 -0.60 0.02 0.00 -1.51 0.00 0.00 37.83 35.59 2ies s LYS 41 CO -0.07 -0.17 0.74 0.09 -0.36 0.00 0.00 175.35 175.59 2ies n ASN 42 N 4.37 -4.85 -2.21 1.43 3.02 -1.26 -1.01 115.26 114.75 2ies n ASN 42 Ca -0.22 -1.13 -0.13 0.00 -0.03 0.00 0.00 54.58 53.07 2ies n ASN 42 Cb 0.50 -2.62 -0.02 0.00 -0.61 0.00 0.00 39.78 37.04 2ies n ASN 42 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2ies n GLY 43 N -1.86 -0.13 2.99 7.41 0.00 -1.26 -4.95 105.19 107.39 2ies n GLY 43 Ca -0.10 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.65 2ies n GLY 43 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2ies s VAL 44 N -2.51 1.19 -0.23 1.61 1.01 -0.18 -5.12 120.40 116.15 2ies s VAL 44 Ca 0.00 -0.45 -0.18 0.00 0.00 0.00 0.00 61.98 61.35 2ies s VAL 44 Cb 0.00 -1.12 -0.03 0.00 0.00 0.00 0.00 36.38 35.23 2ies s VAL 44 CO 0.00 0.38 0.53 -0.31 0.00 0.00 0.00 175.10 175.70 2ies s TYR 45 N 1.13 3.31 -0.26 5.22 1.51 -1.26 -1.24 117.35 125.76 2ies s TYR 45 Ca -0.05 0.72 -0.03 0.00 -1.01 0.00 0.00 57.07 56.70 2ies s TYR 45 Cb -0.14 -2.72 0.02 0.00 -0.11 0.00 0.00 41.96 39.01 2ies s TYR 45 CO -0.02 -0.21 -0.02 0.42 -1.11 0.00 0.00 175.55 174.60 2ies s ILE 46 N 2.05 3.21 0.23 2.71 1.01 0.36 -4.93 121.20 125.83 2ies s ILE 46 Ca 0.23 -0.88 -0.30 0.00 0.00 0.00 0.00 60.65 59.70 2ies s ILE 46 Cb -0.16 -2.62 -0.09 0.00 0.01 0.00 0.00 42.46 39.61 2ies s ILE 46 CO 0.09 0.19 1.25 -2.84 0.00 0.00 0.00 174.94 173.64 2ies s PRO 47 N 1.39 4.44 -0.84 2.79 0.02 -1.26 0.13 135.00 141.67 2ies s PRO 47 Ca 0.01 2.01 -0.06 0.00 0.02 0.00 0.00 61.00 62.98 2ies s PRO 47 Cb -0.16 -3.18 -0.07 0.00 0.02 0.00 0.00 34.50 31.10 2ies s PRO 47 CO -0.03 -0.13 2.25 0.00 -0.33 0.00 0.00 177.00 178.76 2ies n ALA 48 N 2.05 4.93 -2.56 -1.55 0.00 -0.42 -4.70 120.51 118.24 2ies n ALA 48 Ca 0.03 -2.00 -0.23 0.00 0.00 0.00 0.00 53.44 51.25 2ies n ALA 48 Cb 0.43 -2.92 -0.15 0.00 0.00 0.00 0.00 19.45 16.82 2ies n ALA 48 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 2ies s ARG 49 N 3.02 1.17 0.56 0.00 0.52 -1.26 -4.24 118.95 118.71 2ies s ARG 49 Ca 0.43 -0.61 0.47 0.00 -0.52 0.00 0.00 55.73 55.49 2ies s ARG 49 Cb 0.12 -1.15 1.66 0.00 0.52 0.00 0.00 34.95 36.10 2ies s ARG 49 CO -0.03 0.31 1.60 1.12 0.02 0.00 0.00 175.30 178.32 2ies h HIS 50 N 5.53 0.00 -0.08 -0.53 2.07 -1.56 0.13 115.15 120.70 2ies h HIS 50 Ca -0.36 0.00 0.02 0.00 -2.85 0.00 0.00 60.37 57.18 2ies h HIS 50 Cb 1.16 0.00 -0.00 0.00 2.57 0.00 0.00 27.41 31.14 2ies h HIS 50 CO 0.43 0.00 0.07 0.93 -3.07 0.00 0.00 177.93 176.29 2ies h GLU 51 N 0.00 0.00 -0.79 5.12 3.07 -1.92 -2.39 114.58 117.67 2ies h GLU 51 Ca 0.84 0.00 -0.29 0.00 -0.50 0.00 0.00 59.36 59.41 2ies h GLU 51 Cb 3.45 0.00 -0.17 0.00 -0.84 0.00 0.00 28.75 31.19 2ies h GLU 51 CO -0.01 0.00 0.36 1.19 -1.40 0.00 0.00 179.01 179.15 2ies n PHE 52 N -4.24 2.58 -3.03 4.33 3.01 0.46 -4.92 117.46 115.64 2ies n PHE 52 Ca -0.01 -1.37 -0.41 0.00 1.01 0.00 0.00 57.45 56.67 2ies n PHE 52 Cb 0.18 -0.75 -0.05 0.00 -0.01 0.00 0.00 39.48 38.84 2ies n PHE 52 CO 0.00 0.00 0.00 0.08 1.01 0.00 0.00 176.76 177.85 2ies s VAL 53 N -3.08 4.96 -0.31 -4.37 1.01 -0.90 -0.93 120.40 116.78 2ies s VAL 53 Ca 0.55 1.35 0.03 0.00 0.00 0.00 0.00 61.98 63.91 2ies s VAL 53 Cb 0.45 -4.02 0.01 0.00 0.00 0.00 0.00 36.38 32.82 2ies s VAL 53 CO 0.13 0.07 0.47 1.33 0.00 0.00 0.00 175.10 177.09 2ies n VAL 54 N 4.78 0.00 -3.64 2.92 0.24 -0.00 -4.93 118.33 117.69 2ies n VAL 54 Ca 0.01 -0.48 -0.06 0.00 -2.04 0.00 0.00 64.34 61.76 2ies n VAL 54 Cb 0.49 1.05 -0.07 0.00 -1.47 0.00 0.00 33.84 33.84 2ies n VAL 54 CO 0.00 0.00 0.00 -2.28 -2.14 0.00 0.00 176.83 172.41 2ies s HIS 55 N -0.50 -0.78 -0.11 6.34 5.65 -1.20 -4.97 115.29 119.72 2ies s HIS 55 Ca 0.03 1.63 0.20 0.00 0.25 0.00 0.00 55.06 57.17 2ies s HIS 55 Cb 0.02 0.46 0.44 0.00 -1.18 0.00 0.00 32.58 32.32 2ies s HIS 55 CO 0.06 -0.39 1.18 0.25 -0.65 0.00 0.00 174.74 175.19 2ies n THR 56 N 3.66 0.92 0.00 0.89 -2.24 -1.24 -0.26 114.28 116.00 2ies n THR 56 Ca -0.18 -2.06 0.00 0.00 -2.27 0.00 0.00 64.05 59.54 2ies n THR 56 Cb 0.58 0.57 0.00 0.00 -2.10 0.00 0.00 70.33 69.38 2ies n THR 56 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 2ies n ASN 57 N -0.15 0.00 -2.00 3.42 4.13 -1.26 -3.01 115.26 116.39 2ies n ASN 57 Ca 0.12 0.00 -0.24 0.00 1.68 0.00 0.00 54.58 56.14 2ies n ASN 57 Cb 0.97 0.00 0.03 0.00 -1.54 0.00 0.00 39.78 39.24 2ies n ASN 57 CO 0.00 0.00 0.00 1.41 0.28 0.00 0.00 177.26 178.95 2ies n HIS 58 N 0.00 2.70 0.00 3.10 8.25 -1.26 -4.71 115.22 123.30 2ies n HIS 58 Ca 0.00 -2.27 0.00 0.00 -0.26 0.00 0.00 57.72 55.19 2ies n HIS 58 Cb 0.00 -0.44 0.00 0.00 1.12 0.00 0.00 29.99 30.67 2ies n HIS 58 CO 0.00 0.00 0.00 -1.13 0.64 0.00 0.00 176.34 175.85 2ies n SER 59 N -0.74 0.00 -4.33 0.41 3.41 -1.26 -5.03 113.62 106.07 2ies n SER 59 Ca 0.45 0.00 -0.40 0.00 -0.26 0.00 0.00 58.87 58.66 2ies n SER 59 Cb 0.94 0.00 -0.11 0.00 -0.26 0.00 0.00 64.21 64.77 2ies n SER 59 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 2ies s THR 60 N -2.00 4.34 -0.02 6.66 2.01 -1.26 -3.71 115.64 121.66 2ies s THR 60 Ca 0.00 -1.01 -0.02 0.00 0.31 0.00 0.00 61.69 60.97 2ies s THR 60 Cb 0.00 -3.47 -0.04 0.00 0.01 0.00 0.00 72.50 69.00 2ies s THR 60 CO 0.00 -0.27 0.12 -1.81 -0.69 0.00 0.00 174.62 171.97 2ies s ASP 61 N 1.61 5.97 0.20 3.53 1.01 0.64 -2.34 116.67 127.28 2ies s ASP 61 Ca 0.01 0.25 0.10 0.00 0.71 0.00 0.00 52.55 53.62 2ies s ASP 61 Cb -0.20 -1.79 -0.04 0.00 1.01 0.00 0.00 42.92 41.89 2ies s ASP 61 CO 0.05 0.29 -0.21 -0.76 0.21 0.00 0.00 175.17 174.75 2ies s LEU 62 N -1.70 2.46 0.02 1.23 1.43 -0.34 -0.82 118.68 120.96 2ies s LEU 62 Ca 0.23 -0.89 -0.28 0.00 -1.03 0.00 0.00 54.13 52.16 2ies s LEU 62 Cb -0.12 -1.00 0.10 0.00 0.03 0.00 0.00 46.19 45.19 2ies s LEU 62 CO 0.14 0.04 0.82 -0.83 0.23 0.00 0.00 176.35 176.75 2ies s GLY 63 N -2.82 -0.50 -0.25 -3.19 0.00 -0.11 -0.58 107.32 99.88 2ies s GLY 63 Ca 0.20 0.95 -0.26 0.00 0.00 0.00 0.00 44.72 45.61 2ies s GLY 63 CO 0.09 0.34 0.85 -0.12 0.00 0.00 0.00 173.10 174.27 2ies s PHE 69 N -3.13 -0.63 -1.23 1.90 5.36 -0.37 -4.76 117.98 115.13 2ies s PHE 69 Ca 0.03 1.47 -0.17 0.00 -0.96 0.00 0.00 56.93 57.31 2ies s PHE 69 Cb -0.01 0.33 0.02 0.00 -0.34 0.00 0.00 43.02 43.02 2ies s PHE 69 CO -0.09 -0.34 0.31 1.63 -1.46 0.00 0.00 175.22 175.27 2ies n LYS 70 N 2.21 -0.60 -1.06 10.12 4.76 -1.26 -0.65 118.16 131.67 2ies n LYS 70 Ca -0.14 0.03 -0.02 0.00 -2.87 0.00 0.00 58.31 55.32 2ies n LYS 70 Cb 0.56 -2.60 -0.01 0.00 -1.84 0.00 0.00 35.03 31.14 2ies n LYS 70 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 2ies n GLY 71 N -2.19 0.50 3.15 0.72 0.00 -1.26 -5.02 105.19 101.09 2ies n GLY 71 Ca -0.19 -0.22 -0.32 0.00 0.00 0.00 0.00 46.02 45.29 2ies n GLY 71 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2ies s GLN 72 N -1.22 2.91 0.06 1.61 -1.52 0.17 -5.13 119.66 116.55 2ies s GLN 72 Ca 0.00 -0.81 0.09 0.00 -1.95 0.00 0.00 55.36 52.68 2ies s GLN 72 Cb 0.00 -2.38 -0.03 0.00 -0.22 0.00 0.00 33.01 30.38 2ies s GLN 72 CO 0.00 -0.05 -0.23 1.03 -0.25 0.00 0.00 175.29 175.79 2ies s ARG 73 N 0.90 1.51 -0.08 2.91 0.52 -1.26 -1.24 118.95 122.20 2ies s ARG 73 Ca -0.05 -1.07 0.02 0.00 -0.52 0.00 0.00 55.73 54.10 2ies s ARG 73 Cb -0.15 -1.70 0.02 0.00 0.52 0.00 0.00 34.95 33.63 2ies s ARG 73 CO -0.03 0.43 -0.11 0.42 0.02 0.00 0.00 175.30 176.02 2ies s ILE 74 N -0.87 1.15 -0.04 1.52 1.01 0.25 -4.53 121.20 119.69 2ies s ILE 74 Ca 0.10 -0.45 -0.04 0.00 0.00 0.00 0.00 60.65 60.26 2ies s ILE 74 Cb -0.09 -1.08 -0.04 0.00 0.01 0.00 0.00 42.46 41.26 2ies s ILE 74 CO 0.03 0.37 0.15 -0.54 0.00 0.00 0.00 174.94 174.95 2ies s LYS 75 N 0.96 3.38 -0.56 2.79 1.02 0.29 -1.20 119.74 126.42 2ies s LYS 75 Ca -0.09 -0.29 -0.02 0.00 0.02 0.00 0.00 55.97 55.59 2ies s LYS 75 Cb -0.15 -3.09 0.00 0.00 -0.52 0.00 0.00 37.83 34.08 2ies s LYS 75 CO 0.00 0.70 0.56 2.41 -0.92 0.00 0.00 175.35 178.10 2ies n THR 76 N 1.32 -8.68 0.82 2.17 -1.04 -1.19 -0.94 114.28 106.74 2ies n THR 76 Ca -0.14 -0.03 0.09 0.00 -2.04 0.00 0.00 64.05 61.93 2ies n THR 76 Cb 0.53 -6.38 -0.04 0.00 -1.82 0.00 0.00 70.33 62.62 2ies n THR 76 CO 0.00 0.00 0.00 1.33 -0.64 0.00 0.00 175.07 175.76 2ies n VAL 77 N -1.40 0.00 0.05 12.58 0.24 -0.99 -3.88 118.33 124.94 2ies n VAL 77 Ca 0.02 -0.22 -0.11 0.00 -2.04 0.00 0.00 64.34 61.99 2ies n VAL 77 Cb 0.48 1.14 -0.04 0.00 -1.47 0.00 0.00 33.84 33.94 2ies n VAL 77 CO 0.00 0.00 0.00 1.05 -2.14 0.00 0.00 176.83 175.74 2ies h GLU 78 N 1.29 -0.30 0.78 7.34 9.09 -1.91 -1.11 114.58 129.75 2ies h GLU 78 Ca 0.00 0.02 -0.04 0.00 0.05 0.00 0.00 59.36 59.39 2ies h GLU 78 Cb 0.55 0.07 0.01 0.00 -1.65 0.00 0.00 28.75 27.73 2ies h GLU 78 CO 0.00 -0.20 -0.38 0.45 0.05 0.00 0.00 179.01 178.93 2ies h HIS 79 N -0.32 -0.98 -0.68 2.06 3.86 -1.92 0.65 115.15 117.82 2ies h HIS 79 Ca 0.06 -0.02 0.14 0.00 -1.16 0.00 0.00 60.37 59.39 2ies h HIS 79 Cb 0.40 0.32 -0.10 0.00 1.06 0.00 0.00 27.41 29.10 2ies h HIS 79 CO -0.26 -0.61 0.18 0.97 0.86 0.00 0.00 177.93 179.07 2ies h ILE 80 N -1.05 0.59 -0.26 2.45 6.09 -1.86 -0.70 117.51 122.76 2ies h ILE 80 Ca -0.11 -0.10 -0.03 0.00 -1.37 0.00 0.00 64.86 63.25 2ies h ILE 80 Cb 0.81 0.27 -0.01 0.00 0.47 0.00 0.00 36.82 38.36 2ies h ILE 80 CO 0.18 0.05 0.03 -0.07 -3.07 0.00 0.00 178.15 175.27 2ies h LEU 81 N 0.29 0.42 -0.47 2.19 3.38 -0.92 -2.33 115.31 117.88 2ies h LEU 81 Ca 0.37 -0.27 0.09 0.00 0.09 0.00 0.00 57.88 58.16 2ies h LEU 81 Cb 0.59 -0.11 -0.08 0.00 0.09 0.00 0.00 40.66 41.15 2ies h LEU 81 CO -0.45 0.58 -0.02 -1.28 0.09 0.00 0.00 178.44 177.37 2ies h SER 82 N 0.24 -0.23 0.43 -0.43 0.87 0.17 0.28 113.55 114.88 2ies h SER 82 Ca 0.08 0.11 -0.02 0.00 -1.23 0.00 0.00 61.79 60.73 2ies h SER 82 Cb 0.35 0.21 0.00 0.00 -0.44 0.00 0.00 62.40 62.52 2ies h SER 82 CO 0.01 -0.08 -0.20 0.58 -0.53 0.00 0.00 176.83 176.61 2ies h VAL 83 N 0.10 0.58 -0.95 2.23 2.07 -1.16 0.12 116.25 119.25 2ies h VAL 83 Ca 0.23 -0.06 0.25 0.00 0.82 0.00 0.00 66.70 67.94 2ies h VAL 83 Cb 0.35 0.62 -0.06 0.00 -1.52 0.00 0.00 31.29 30.68 2ies h VAL 83 CO -0.40 0.01 0.65 -0.07 0.02 0.00 0.00 177.57 177.78 2ies h LEU 84 N -0.61 0.22 -0.14 2.57 3.38 -0.82 0.35 115.31 120.25 2ies h LEU 84 Ca -0.06 0.03 -0.23 0.00 0.09 0.00 0.00 57.88 57.71 2ies h LEU 84 Cb 0.46 -0.01 0.01 0.00 0.09 0.00 0.00 40.66 41.21 2ies h LEU 84 CO 0.10 0.07 -0.82 -0.74 0.09 0.00 0.00 178.44 177.13 2ies h HIS 85 N 0.21 1.06 -0.33 1.13 2.76 0.35 0.13 115.15 120.45 2ies h HIS 85 Ca 0.48 -0.48 -0.08 0.00 -2.20 0.00 0.00 60.37 58.09 2ies h HIS 85 Cb 1.54 -0.16 -0.01 0.00 1.55 0.00 0.00 27.41 30.33 2ies h HIS 85 CO -0.00 1.32 -0.11 -0.07 -1.30 0.00 0.00 177.93 177.77 2ies h LEU 86 N 0.51 0.67 0.00 0.26 3.38 0.22 -2.61 115.31 117.74 2ies h LEU 86 Ca -0.06 -0.38 0.00 0.00 0.09 0.00 0.00 57.88 57.53 2ies h LEU 86 Cb 1.45 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 42.02 2ies h LEU 86 CO 0.17 0.90 0.00 0.18 0.09 0.00 0.00 178.44 179.78 2ies n LEU 87 N -4.40 0.00 -3.83 1.67 4.77 0.77 -4.90 117.00 111.08 2ies n LEU 87 Ca -0.02 0.05 -0.25 0.00 -0.03 0.00 0.00 56.01 55.76 2ies n LEU 87 Cb 0.35 -0.05 0.02 0.00 -2.33 0.00 0.00 43.42 41.41 2ies n LEU 87 CO 0.42 -0.01 -0.04 -0.62 -1.33 0.00 0.00 177.39 175.81 2ies n GLU 88 N -1.05 -4.80 -3.29 3.23 1.02 -0.61 -4.94 120.64 110.21 2ies n GLU 88 Ca 0.20 0.57 -0.39 0.00 -0.02 0.00 0.00 57.16 57.52 2ies n GLU 88 Cb 0.12 -5.17 -0.07 0.00 -0.02 0.00 0.00 31.44 26.29 2ies n GLU 88 CO 0.00 0.00 0.00 0.42 1.18 0.00 0.00 177.13 178.73 2ies s ILE 89 N -3.59 5.12 -0.14 -3.67 -1.09 -0.07 -4.03 121.20 113.74 2ies s ILE 89 Ca 0.24 0.83 0.11 0.00 -2.23 0.00 0.00 60.65 59.60 2ies s ILE 89 Cb -0.12 -3.80 -0.16 0.00 -1.58 0.00 0.00 42.46 36.80 2ies s ILE 89 CO 0.83 0.15 0.03 0.35 -1.23 0.00 0.00 174.94 175.08 2ies n THR 90 N 4.82 0.93 -4.05 2.92 -2.24 -0.63 -4.69 114.28 111.34 2ies n THR 90 Ca -0.06 -0.55 -0.32 0.00 -2.27 0.00 0.00 64.05 60.85 2ies n THR 90 Cb 0.50 -0.68 -0.15 0.00 -2.10 0.00 0.00 70.33 67.90 2ies n THR 90 CO 0.00 0.00 0.00 0.20 -0.57 0.00 0.00 175.07 174.70 2ies s ASN 91 N -4.74 4.53 0.24 3.42 0.01 -0.83 -2.53 114.94 115.04 2ies s ASN 91 Ca -0.08 -1.62 -0.18 0.00 -0.71 0.00 0.00 52.86 50.26 2ies s ASN 91 Cb 0.04 -1.56 0.02 0.00 0.41 0.00 0.00 41.25 40.16 2ies s ASN 91 CO 0.54 -0.25 0.60 0.68 -1.51 0.00 0.00 177.10 177.16 2ies s VAL 92 N 1.05 0.01 -0.10 1.60 -7.23 -0.62 -3.33 120.40 111.77 2ies s VAL 92 Ca -0.03 -0.96 0.00 0.00 -1.81 0.00 0.00 61.98 59.18 2ies s VAL 92 Cb -0.20 -1.86 0.02 0.00 0.56 0.00 0.00 36.38 34.91 2ies s VAL 92 CO -0.06 -0.03 -0.09 -0.89 -0.31 0.00 0.00 175.10 173.72 2ies s THR 93 N -3.92 1.07 -0.49 5.32 2.01 -0.33 -2.81 115.64 116.50 2ies s THR 93 Ca 0.12 -0.35 -0.16 0.00 0.31 0.00 0.00 61.69 61.61 2ies s THR 93 Cb -0.03 -1.06 0.09 0.00 0.01 0.00 0.00 72.50 71.51 2ies s THR 93 CO 0.03 0.37 0.44 -0.63 -0.69 0.00 0.00 174.62 174.14 2ies s ILE 94 N 1.39 5.20 -0.05 1.82 1.01 0.10 -0.06 121.20 130.60 2ies s ILE 94 Ca -0.01 -1.14 -0.28 0.00 0.00 0.00 0.00 60.65 59.22 2ies s ILE 94 Cb -0.13 -4.20 -0.03 0.00 0.01 0.00 0.00 42.46 38.11 2ies s ILE 94 CO -0.05 -0.68 0.92 -0.70 0.00 0.00 0.00 174.94 174.43 2ies s GLU 95 N 1.72 4.49 -0.15 2.79 2.12 -0.66 0.43 118.70 129.44 2ies s GLU 95 Ca 0.05 1.28 0.02 0.00 0.36 0.00 0.00 54.97 56.67 2ies s GLU 95 Cb -0.25 -3.48 0.01 0.00 0.26 0.00 0.00 34.13 30.67 2ies s GLU 95 CO 0.06 -0.10 -0.21 0.08 -0.54 0.00 0.00 175.26 174.55 2ies s VAL 96 N 1.25 2.03 -0.83 3.70 1.01 -0.22 -2.08 120.40 125.27 2ies s VAL 96 Ca 0.47 -0.95 -0.06 0.00 0.00 0.00 0.00 61.98 61.44 2ies s VAL 96 Cb -0.19 -1.81 0.21 0.00 0.00 0.00 0.00 36.38 34.58 2ies s VAL 96 CO 0.23 0.54 0.72 -0.63 0.00 0.00 0.00 175.10 175.96 2ies s ILE 97 N 0.99 4.71 -1.29 2.22 1.01 -0.57 -4.56 121.20 123.70 2ies s ILE 97 Ca -0.03 -3.19 0.00 0.00 0.00 0.00 0.00 60.65 57.43 2ies s ILE 97 Cb -0.15 -3.94 0.00 0.00 0.01 0.00 0.00 42.46 38.39 2ies s ILE 97 CO -0.06 -1.02 0.00 0.61 0.00 0.00 0.00 174.94 174.47 2ies n GLY 98 N 3.13 -0.20 0.06 6.18 0.00 -1.26 -2.31 105.19 110.80 2ies n GLY 98 Ca 0.16 -0.76 0.00 0.00 0.00 0.00 0.00 46.02 45.42 2ies n GLY 98 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2ies n ASN 99 N 0.00 0.37 -3.64 1.61 3.02 -1.26 -4.94 115.26 110.42 2ies n ASN 99 Ca 0.00 -1.33 -0.07 0.00 -0.03 0.00 0.00 54.58 53.15 2ies n ASN 99 Cb 0.00 -0.04 -0.07 0.00 -0.61 0.00 0.00 39.78 39.07 2ies n ASN 99 CO 0.00 0.00 0.00 -0.70 -2.62 0.00 0.00 177.26 173.94 2ies s GLU 100 N -0.23 0.44 0.30 3.52 2.12 -1.26 0.11 118.70 123.70 2ies s GLU 100 Ca 0.01 0.57 -0.29 0.00 0.36 0.00 0.00 54.97 55.61 2ies s GLU 100 Cb 0.01 0.19 -0.11 0.00 0.26 0.00 0.00 34.13 34.48 2ies s GLU 100 CO 0.00 -0.06 1.50 0.42 -0.54 0.00 0.00 175.26 176.58 2ies s ILE 101 N 0.46 2.29 0.41 -3.70 -1.09 -0.12 -4.80 121.20 114.65 2ies s ILE 101 Ca 0.01 0.25 -0.27 0.00 -2.23 0.00 0.00 60.65 58.41 2ies s ILE 101 Cb -0.05 -3.16 -0.10 0.00 -1.58 0.00 0.00 42.46 37.57 2ies s ILE 101 CO -0.09 0.05 1.47 -2.84 -1.23 0.00 0.00 174.94 172.30 2ies s PRO 102 N -0.91 3.92 0.25 2.79 0.02 -1.26 -4.65 135.00 135.16 2ies s PRO 102 Ca 0.59 2.53 0.13 0.00 0.02 0.00 0.00 61.00 64.27 2ies s PRO 102 Cb -0.45 -2.84 0.11 0.00 0.02 0.00 0.00 34.50 31.34 2ies s PRO 102 CO 0.50 -0.67 1.46 0.97 -0.33 0.00 0.00 177.00 178.93 2ies h ILE 103 N 2.70 1.11 0.00 2.83 6.09 -1.72 -3.49 117.51 125.03 2ies h ILE 103 Ca -0.51 -2.40 0.00 0.00 -1.37 0.00 0.00 64.86 60.58 2ies h ILE 103 Cb 1.25 2.44 0.00 0.00 0.47 0.00 0.00 36.82 40.98 2ies h ILE 103 CO 0.63 0.60 0.00 0.18 -3.07 0.00 0.00 178.15 176.49 2ies n LEU 104 N -3.33 0.00 -0.16 2.19 4.77 -1.26 -1.16 117.00 118.05 2ies n LEU 104 Ca 0.01 0.00 0.07 0.00 -0.03 0.00 0.00 56.01 56.06 2ies n LEU 104 Cb 0.74 0.00 0.33 0.00 -2.33 0.00 0.00 43.42 42.16 2ies n LEU 104 CO 0.42 0.00 0.72 -0.90 -1.33 0.00 0.00 177.39 176.30 2ies n ASP 105 N 2.93 0.48 0.00 -1.43 5.75 -1.26 -4.62 116.55 118.40 2ies n ASP 105 Ca 0.00 -1.69 0.00 0.00 -0.01 0.00 0.00 54.79 53.09 2ies n ASP 105 Cb 0.00 -0.04 0.00 0.00 -1.03 0.00 0.00 41.12 40.05 2ies n ASP 105 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2ies n GLY 106 N 0.80 0.74 1.15 6.12 0.00 -0.31 -4.62 105.19 109.08 2ies n GLY 106 Ca 0.10 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 46.03 2ies n GLY 106 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2ies n SER 107 N 0.00 1.45 -1.37 1.61 3.41 -1.26 -0.77 113.62 116.68 2ies n SER 107 Ca 0.00 -1.73 0.11 0.00 -0.26 0.00 0.00 58.87 56.98 2ies n SER 107 Cb 0.00 0.28 0.32 0.00 -0.26 0.00 0.00 64.21 64.55 2ies n SER 107 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2ies n GLY 108 N 1.78 2.62 0.32 5.00 0.00 -0.84 -4.63 105.19 109.44 2ies n GLY 108 Ca -0.03 -0.79 -0.12 0.00 0.00 0.00 0.00 46.02 45.07 2ies n GLY 108 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 173.32 173.07 2ies h TRP 109 N 4.05 -0.83 -0.47 1.61 2.91 -0.70 -1.34 115.95 121.18 2ies h TRP 109 Ca 0.00 0.02 0.02 0.00 1.13 0.00 0.00 58.89 60.06 2ies h TRP 109 Cb 1.12 0.36 -0.03 0.00 -0.51 0.00 0.00 29.16 30.10 2ies h TRP 109 CO 0.56 -0.40 0.29 1.49 -1.03 0.00 0.00 178.44 179.35 2ies h GLU 110 N -0.48 0.57 0.76 2.65 4.81 -1.87 -1.47 114.58 119.54 2ies h GLU 110 Ca 0.05 -0.03 -0.03 0.00 -0.13 0.00 0.00 59.36 59.21 2ies h GLU 110 Cb 0.55 -0.13 0.00 0.00 0.63 0.00 0.00 28.75 29.80 2ies h GLU 110 CO -0.22 0.38 -0.41 0.74 -0.73 0.00 0.00 179.01 178.76 2ies h PHE 111 N 0.58 -1.07 -0.42 0.92 -1.00 -1.85 -2.51 116.94 111.59 2ies h PHE 111 Ca 0.19 -0.02 0.04 0.00 2.81 0.00 0.00 57.97 60.99 2ies h PHE 111 Cb -0.01 0.37 -0.07 0.00 3.61 0.00 0.00 35.95 39.85 2ies h PHE 111 CO -0.06 -0.64 -0.41 -0.92 -1.61 0.00 0.00 178.31 174.67 2ies h TYR 112 N -1.07 -1.28 -1.03 -0.55 3.20 -1.05 0.39 116.97 115.58 2ies h TYR 112 Ca -0.10 0.07 0.26 0.00 3.14 0.00 0.00 58.73 62.09 2ies h TYR 112 Cb 0.84 0.61 -0.10 0.00 1.54 0.00 0.00 36.73 39.63 2ies h TYR 112 CO -0.06 -0.33 0.65 1.49 -1.64 0.00 0.00 178.16 178.28 2ies h GLU 113 N -0.21 0.43 0.16 1.82 4.22 -1.28 0.61 114.58 120.33 2ies h GLU 113 Ca 0.07 -0.03 -0.34 0.00 0.08 0.00 0.00 59.36 59.15 2ies h GLU 113 Cb 0.39 -0.10 0.00 0.00 0.50 0.00 0.00 28.75 29.55 2ies h GLU 113 CO -0.50 0.28 -1.70 0.00 -2.18 0.00 0.00 179.01 174.91 2ies h ALA 114 N 1.63 0.22 -0.30 2.92 0.00 -0.63 -3.35 119.26 119.76 2ies h ALA 114 Ca 0.59 -1.16 -0.13 0.00 0.00 0.00 0.00 54.91 54.22 2ies h ALA 114 Cb 1.42 0.42 -0.00 0.00 0.00 0.00 0.00 17.79 19.62 2ies h ALA 114 CO -0.31 1.09 -0.31 0.82 0.00 0.00 0.00 179.25 180.54 2ies h ILE 115 N 0.09 1.30 -0.85 0.00 1.08 0.24 -3.24 117.51 116.13 2ies h ILE 115 Ca -0.32 -1.48 0.19 0.00 -0.39 0.00 0.00 64.86 62.86 2ies h ILE 115 Cb 2.07 1.57 -0.11 0.00 -3.07 0.00 0.00 36.82 37.28 2ies h ILE 115 CO 0.17 0.48 0.36 -0.09 -0.69 0.00 0.00 178.15 178.38 2ies h ARG 116 N 0.48 0.42 0.30 2.37 2.43 -1.06 -2.48 114.38 116.85 2ies h ARG 116 Ca 0.04 -0.03 -0.01 0.00 -0.81 0.00 0.00 59.98 59.18 2ies h ARG 116 Cb 0.89 -0.09 -0.01 0.00 -0.42 0.00 0.00 29.97 30.33 2ies h ARG 116 CO 0.08 0.28 -0.26 0.87 -1.51 0.00 0.00 179.97 179.43 2ies h LYS 117 N 0.43 -0.52 -2.38 0.20 1.57 -1.69 -3.28 116.57 110.90 2ies h LYS 117 Ca 0.51 0.04 -0.38 0.00 -1.87 0.00 0.00 60.65 58.94 2ies h LYS 117 Cb 0.89 0.12 -0.03 0.00 0.08 0.00 0.00 32.23 33.28 2ies h LYS 117 CO -0.48 -0.35 1.25 0.09 -0.57 0.00 0.00 179.45 179.39 2ies n ASN 118 N -3.91 6.62 -4.84 0.86 3.02 -0.94 -4.92 115.26 111.16 2ies n ASN 118 Ca -0.07 -2.53 -0.37 0.00 -0.03 0.00 0.00 54.58 51.58 2ies n ASN 118 Cb 0.24 -1.47 -0.06 0.00 -0.61 0.00 0.00 39.78 37.88 2ies n ASN 118 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 2ies s ILE 120 N 1.38 4.96 -0.21 2.41 1.01 -1.22 -0.91 121.20 128.62 2ies s ILE 120 Ca 0.68 0.87 -0.01 0.00 0.00 0.00 0.00 60.65 62.19 2ies s ILE 120 Cb 0.27 -3.74 0.06 0.00 0.01 0.00 0.00 42.46 39.05 2ies s ILE 120 CO -0.03 0.51 -0.01 -0.22 0.00 0.00 0.00 174.94 175.19 2ies s LEU 121 N -1.27 1.81 0.71 2.97 2.96 0.26 -4.63 118.68 121.48 2ies s LEU 121 Ca 0.27 -0.96 -0.15 0.00 -0.22 0.00 0.00 54.13 53.07 2ies s LEU 121 Cb -0.17 -0.87 0.03 0.00 0.50 0.00 0.00 46.19 45.68 2ies s LEU 121 CO 0.16 -0.27 1.20 0.20 -1.32 0.00 0.00 176.35 176.32 2ies s ASN 122 N 1.64 4.35 0.04 3.68 0.02 -1.26 -2.50 114.94 120.90 2ies s ASN 122 Ca -0.03 2.34 -0.00 0.00 -1.02 0.00 0.00 52.86 54.15 2ies s ASN 122 Cb -0.18 -2.59 -0.03 0.00 0.02 0.00 0.00 41.25 38.48 2ies s ASN 122 CO -0.07 -2.16 -0.04 -1.10 0.02 0.00 0.00 177.10 173.75 2ies s GLN 123 N -3.86 0.46 -1.33 -0.60 -0.21 -0.97 -4.93 119.66 108.22 2ies s GLN 123 Ca 0.74 -0.87 -0.16 0.00 0.02 0.00 0.00 55.36 55.09 2ies s GLN 123 Cb -0.29 0.10 0.08 0.00 1.00 0.00 0.00 33.01 33.90 2ies s GLN 123 CO 0.44 -0.06 1.83 0.27 -2.12 0.00 0.00 175.29 175.64 2ies n ASN 124 N 0.98 4.73 -3.18 5.90 6.94 -1.26 -4.25 115.26 125.11 2ies n ASN 124 Ca -0.20 -2.92 0.05 0.00 -0.02 0.00 0.00 54.58 51.49 2ies n ASN 124 Cb 0.57 -1.70 -0.02 0.00 -2.36 0.00 0.00 39.78 36.28 2ies n ASN 124 CO 0.00 0.00 0.00 -0.60 -1.03 0.00 0.00 177.26 175.63 2ies s ARG 125 N 3.50 0.15 -0.02 -3.83 3.52 -1.26 -5.03 118.95 115.99 2ies s ARG 125 Ca 0.50 0.30 -0.30 0.00 -0.13 0.00 0.00 55.73 56.11 2ies s ARG 125 Cb 0.06 0.17 -0.06 0.00 -1.56 0.00 0.00 34.95 33.55 2ies s ARG 125 CO 0.03 -0.14 1.69 -2.00 -0.81 0.00 0.00 175.30 174.07 2ies s GLU 126 N 2.78 4.18 0.23 5.12 2.56 -1.26 0.13 118.70 132.45 2ies s GLU 126 Ca -0.03 2.27 -0.31 0.00 0.00 0.00 0.00 54.97 56.90 2ies s GLU 126 Cb -0.08 -3.94 -0.14 0.00 2.00 0.00 0.00 34.13 31.97 2ies s GLU 126 CO -0.12 -0.84 1.41 -0.89 -0.56 0.00 0.00 175.26 174.27 2ies n ILE 127 N 5.34 0.87 -3.23 -3.70 5.41 0.57 -4.80 119.36 119.83 2ies n ILE 127 Ca 0.17 -0.22 -0.45 0.00 1.00 0.00 0.00 62.75 63.26 2ies n ILE 127 Cb 0.42 -1.46 -0.00 0.00 -0.71 0.00 0.00 39.64 37.89 2ies n ILE 127 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 176.55 175.93 2ies s ASP 128 N 0.33 7.14 0.90 4.38 -1.08 -1.26 -4.80 116.67 122.29 2ies s ASP 128 Ca 0.69 -3.24 -0.12 0.00 -0.52 0.00 0.00 52.55 49.37 2ies s ASP 128 Cb -0.66 -2.26 0.09 0.00 -1.46 0.00 0.00 42.92 38.63 2ies s ASP 128 CO 0.49 -0.48 0.87 -1.22 0.52 0.00 0.00 175.17 175.35 2ies n TYR 129 N 3.76 0.03 -3.29 -5.34 4.02 -1.26 -4.84 117.16 110.24 2ies n TYR 129 Ca 0.25 0.34 -0.44 0.00 -0.01 0.00 0.00 57.90 58.04 2ies n TYR 129 Cb 0.42 -1.94 -0.07 0.00 -0.02 0.00 0.00 39.34 37.73 2ies n TYR 129 CO 0.00 0.00 0.00 0.12 -1.01 0.00 0.00 176.86 175.97 2ies s PHE 130 N -2.42 3.16 -0.08 -0.72 5.36 -0.29 -5.01 117.98 117.98 2ies s PHE 130 Ca 0.65 -0.80 -0.17 0.00 -0.96 0.00 0.00 56.93 55.64 2ies s PHE 130 Cb -0.24 -3.35 -0.05 0.00 -0.34 0.00 0.00 43.02 39.04 2ies s PHE 130 CO 0.60 -0.91 0.45 0.08 -1.46 0.00 0.00 175.22 173.99 2ies s VAL 131 N 2.04 5.13 -0.38 3.12 1.01 -1.26 -2.11 120.40 127.95 2ies s VAL 131 Ca 0.08 0.91 -0.29 0.00 0.00 0.00 0.00 61.98 62.69 2ies s VAL 131 Cb -0.23 -3.78 0.02 0.00 0.00 0.00 0.00 36.38 32.39 2ies s VAL 131 CO 0.08 0.40 1.09 -0.69 0.00 0.00 0.00 175.10 175.99 2ies s VAL 132 N 0.11 4.40 -0.06 2.92 1.01 -0.98 -4.90 120.40 122.91 2ies s VAL 132 Ca 0.25 1.53 0.13 0.00 0.00 0.00 0.00 61.98 63.89 2ies s VAL 132 Cb -0.16 -4.48 -0.10 0.00 0.00 0.00 0.00 36.38 31.64 2ies s VAL 132 CO 0.11 -0.67 1.12 -0.33 0.00 0.00 0.00 175.10 175.33 2ies h GLU 133 N 8.51 0.00 -1.82 2.72 5.08 -1.93 -3.36 114.58 123.79 2ies h GLU 133 Ca -0.21 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.15 2ies h GLU 133 Cb 1.06 0.00 -0.21 0.00 0.50 0.00 0.00 28.75 30.10 2ies h GLU 133 CO 1.06 0.56 0.35 -1.83 -1.00 0.00 0.00 179.01 178.16 2ies s GLU 134 N -2.84 0.85 0.24 2.33 4.04 -1.26 -4.79 118.70 117.28 2ies s GLU 134 Ca 0.00 0.20 -0.12 0.00 0.04 0.00 0.00 54.97 55.09 2ies s GLU 134 Cb 0.09 0.40 -0.09 0.00 0.02 0.00 0.00 34.13 34.55 2ies s GLU 134 CO 0.79 -0.27 0.04 -2.30 -1.84 0.00 0.00 175.26 171.68 2ies n PRO 135 N 0.81 0.00 -3.58 -4.83 -0.02 -1.26 -4.76 135.00 121.36 2ies n PRO 135 Ca -0.15 0.00 -0.13 0.00 -2.02 0.00 0.00 63.50 61.20 2ies n PRO 135 Cb 0.58 -0.59 -0.06 0.00 -0.02 0.00 0.00 33.50 33.41 2ies n PRO 135 CO 0.00 0.00 0.00 -1.50 1.98 0.00 0.00 175.50 175.98 2ies s ILE 136 N -1.01 0.00 0.03 4.25 2.07 -0.41 -4.98 121.20 121.15 2ies s ILE 136 Ca 0.35 0.00 -0.00 0.00 -1.41 0.00 0.00 60.65 59.59 2ies s ILE 136 Cb -0.37 -1.00 -0.02 0.00 0.13 0.00 0.00 42.46 41.20 2ies s ILE 136 CO 0.37 0.00 -0.03 -0.63 -1.91 0.00 0.00 174.94 172.74 2ies s ILE 137 N -0.71 0.15 -0.07 2.00 1.01 -1.26 -1.01 121.20 121.31 2ies s ILE 137 Ca -0.03 -1.11 -0.04 0.00 0.00 0.00 0.00 60.65 59.47 2ies s ILE 137 Cb -0.02 -0.55 0.03 0.00 0.01 0.00 0.00 42.46 41.94 2ies s ILE 137 CO 0.02 -0.61 0.15 0.68 0.00 0.00 0.00 174.94 175.19 2ies s VAL 138 N -2.00 -0.03 0.53 2.92 -7.23 -0.52 -5.01 120.40 109.06 2ies s VAL 138 Ca -0.11 0.12 0.02 0.00 -1.81 0.00 0.00 61.98 60.21 2ies s VAL 138 Cb -0.06 -0.24 0.02 0.00 0.56 0.00 0.00 36.38 36.66 2ies s VAL 138 CO -0.03 0.05 0.16 -0.62 -0.31 0.00 0.00 175.10 174.35 2ies n GLU 139 N 3.85 0.73 0.00 4.82 1.02 -1.26 -1.24 120.64 128.56 2ies n GLU 139 Ca -0.22 -3.62 0.00 0.00 -0.02 0.00 0.00 57.16 53.30 2ies n GLU 139 Cb 0.54 0.75 0.00 0.00 -0.02 0.00 0.00 31.44 32.71 2ies n GLU 139 CO 0.00 0.00 0.00 -3.47 1.18 0.00 0.00 177.13 174.84 2ies n ASP 140 N -1.51 0.00 -2.82 1.62 -0.08 -0.43 -4.93 116.55 108.40 2ies n ASP 140 Ca -0.14 0.00 -0.01 0.00 -1.51 0.00 0.00 54.79 53.13 2ies n ASP 140 Cb 0.64 0.00 0.00 0.00 2.34 0.00 0.00 41.12 44.10 2ies n ASP 140 CO 0.00 0.00 0.00 -0.62 0.12 0.00 0.00 177.20 176.70 2ies n GLU 141 N 0.00 -2.91 0.00 -0.67 -0.58 -1.26 -3.43 120.64 111.79 2ies n GLU 141 Ca 0.00 2.42 0.00 0.00 -0.42 0.00 0.00 57.16 59.16 2ies n GLU 141 Cb 0.00 -4.68 0.00 0.00 -0.57 0.00 0.00 31.44 26.19 2ies n GLU 141 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2ies n GLY 142 N 0.72 0.79 3.72 0.62 0.00 -1.26 -4.90 105.19 104.88 2ies n GLY 142 Ca 0.01 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.61 2ies n GLY 142 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2ies s ARG 143 N 0.00 4.37 -0.06 1.61 0.52 -1.22 -4.92 118.95 119.25 2ies s ARG 143 Ca 0.00 2.01 -0.11 0.00 -0.52 0.00 0.00 55.73 57.10 2ies s ARG 143 Cb 0.00 -3.24 0.02 0.00 0.52 0.00 0.00 34.95 32.25 2ies s ARG 143 CO 0.00 -0.32 0.28 -1.17 0.02 0.00 0.00 175.30 174.11 2ies s LEU 144 N 0.59 0.95 -0.03 2.53 0.20 -0.98 -1.31 118.68 120.63 2ies s LEU 144 Ca 0.60 0.32 0.03 0.00 0.69 0.00 0.00 54.13 55.76 2ies s LEU 144 Cb -0.35 1.06 0.00 0.00 -0.43 0.00 0.00 46.19 46.47 2ies s LEU 144 CO 0.33 -0.26 -0.10 -0.63 -0.29 0.00 0.00 176.35 175.40 2ies s ILE 145 N -0.55 0.88 -0.09 6.68 1.01 -0.37 -0.33 121.20 128.43 2ies s ILE 145 Ca -0.07 -0.41 0.04 0.00 0.00 0.00 0.00 60.65 60.21 2ies s ILE 145 Cb -0.04 -0.78 0.00 0.00 0.01 0.00 0.00 42.46 41.66 2ies s ILE 145 CO 0.02 0.27 -0.20 -0.75 0.00 0.00 0.00 174.94 174.28 2ies s LYS 146 N 0.20 2.58 -0.07 2.79 2.20 0.23 -1.44 119.74 126.23 2ies s LYS 146 Ca -0.04 -0.73 -0.00 0.00 -0.36 0.00 0.00 55.97 54.84 2ies s LYS 146 Cb -0.09 -2.00 0.02 0.00 -1.51 0.00 0.00 37.83 34.25 2ies s LYS 146 CO 0.01 0.15 -0.04 0.00 -0.36 0.00 0.00 175.35 175.11 2ies s ALA 147 N 0.40 0.81 0.37 3.13 0.00 -0.18 0.78 121.76 127.07 2ies s ALA 147 Ca -0.17 -0.17 0.04 0.00 0.00 0.00 0.00 51.96 51.66 2ies s ALA 147 Cb -0.17 -0.63 -0.06 0.00 0.00 0.00 0.00 23.12 22.27 2ies s ALA 147 CO 0.07 -0.24 0.06 -1.83 0.00 0.00 0.00 175.76 173.82 2ies s GLU 148 N 1.42 1.80 0.41 0.00 -1.05 -0.19 -1.28 118.70 119.81 2ies s GLU 148 Ca -0.03 -2.04 -0.26 0.00 -0.15 0.00 0.00 54.97 52.50 2ies s GLU 148 Cb -0.13 -1.02 -0.08 0.00 -0.44 0.00 0.00 34.13 32.45 2ies s GLU 148 CO -0.03 -0.23 1.26 -2.14 0.95 0.00 0.00 175.26 175.08 2ies s PRO 149 N -3.83 3.96 -0.27 -4.83 0.02 -1.26 -0.56 135.00 128.23 2ies s PRO 149 Ca 0.31 2.06 -0.24 0.00 0.02 0.00 0.00 61.00 63.16 2ies s PRO 149 Cb 0.07 -2.71 0.07 0.00 0.02 0.00 0.00 34.50 31.95 2ies s PRO 149 CO 0.15 -0.47 0.71 0.45 -0.33 0.00 0.00 177.00 177.51 2ies s SER 150 N -0.87 -0.76 0.48 2.53 0.15 -1.26 -4.47 113.70 109.50 2ies s SER 150 Ca 0.58 1.44 0.17 0.00 0.70 0.00 0.00 55.95 58.84 2ies s SER 150 Cb -0.36 1.45 1.19 0.00 -1.71 0.00 0.00 66.02 66.59 2ies s SER 150 CO 0.46 -0.25 2.04 -0.78 1.20 0.00 0.00 173.24 175.90 2ies h ASP 151 N 5.22 0.17 -4.06 5.45 3.58 -1.93 -3.31 116.42 121.53 2ies h ASP 151 Ca -0.29 0.00 -0.36 0.00 0.42 0.00 0.00 57.03 56.80 2ies h ASP 151 Cb 1.17 -0.03 -0.07 0.00 1.72 0.00 0.00 39.33 42.11 2ies h ASP 151 CO 0.07 0.10 -0.27 0.35 -2.88 0.00 0.00 179.24 176.61 2ies n THR 152 N -4.46 0.00 -3.56 2.25 -2.24 -1.26 -4.95 114.28 100.06 2ies n THR 152 Ca 0.06 -1.38 -0.38 0.00 -2.27 0.00 0.00 64.05 60.08 2ies n THR 152 Cb 0.35 0.36 -0.10 0.00 -2.10 0.00 0.00 70.33 68.84 2ies n THR 152 CO 0.00 0.00 0.00 -0.22 -0.57 0.00 0.00 175.07 174.28 2ies s LEU 153 N 0.00 4.06 -0.07 3.22 2.96 -1.26 -2.30 118.68 125.29 2ies s LEU 153 Ca 0.04 0.12 -0.03 0.00 -0.22 0.00 0.00 54.13 54.04 2ies s LEU 153 Cb 0.00 -2.20 0.04 0.00 0.50 0.00 0.00 46.19 44.53 2ies s LEU 153 CO 0.03 -0.04 0.13 -0.70 -1.32 0.00 0.00 176.35 174.45 2ies s GLU 154 N 1.58 -0.00 -0.04 1.98 2.12 -0.58 -2.87 118.70 120.88 2ies s GLU 154 Ca 0.09 0.51 0.02 0.00 0.36 0.00 0.00 54.97 55.95 2ies s GLU 154 Cb -0.15 -0.35 0.01 0.00 0.26 0.00 0.00 34.13 33.90 2ies s GLU 154 CO 0.09 -0.31 -0.08 0.08 -0.54 0.00 0.00 175.26 174.49 2ies s VAL 155 N 2.25 0.77 -0.02 3.70 1.01 -0.34 -0.09 120.40 127.69 2ies s VAL 155 Ca 0.04 -0.29 0.06 0.00 0.00 0.00 0.00 61.98 61.78 2ies s VAL 155 Cb -0.12 -0.72 -0.01 0.00 0.00 0.00 0.00 36.38 35.52 2ies s VAL 155 CO -0.05 0.26 -0.19 -0.89 0.00 0.00 0.00 175.10 174.23 2ies s THR 156 N 0.59 1.52 -0.06 3.92 2.01 0.33 0.45 115.64 124.40 2ies s THR 156 Ca -0.10 -0.81 0.03 0.00 0.31 0.00 0.00 61.69 61.13 2ies s THR 156 Cb -0.13 -1.27 0.00 0.00 0.01 0.00 0.00 72.50 71.12 2ies s THR 156 CO 0.01 0.43 -0.15 -0.47 -0.69 0.00 0.00 174.62 173.75 2ies s TYR 157 N -0.37 1.64 -0.09 4.92 5.04 -0.54 -0.54 117.35 127.41 2ies s TYR 157 Ca 0.05 -0.54 0.04 0.00 -2.44 0.00 0.00 57.07 54.19 2ies s TYR 157 Cb -0.08 -1.14 -0.00 0.00 0.35 0.00 0.00 41.96 41.09 2ies s TYR 157 CO -0.00 -0.22 -0.22 -2.00 -1.34 0.00 0.00 175.55 171.76 2ies s GLU 158 N 0.31 2.73 0.15 4.97 2.12 0.33 -1.58 118.70 127.72 2ies s GLU 158 Ca -0.09 -0.81 0.07 0.00 0.36 0.00 0.00 54.97 54.49 2ies s GLU 158 Cb -0.13 -2.13 -0.04 0.00 0.26 0.00 0.00 34.13 32.09 2ies s GLU 158 CO 0.03 0.20 -0.00 0.20 -0.54 0.00 0.00 175.26 175.15 2ies s GLY 159 N 0.27 1.77 -0.50 -1.50 0.00 0.57 -1.50 107.32 106.43 2ies s GLY 159 Ca -0.15 -1.30 0.08 0.00 0.00 0.00 0.00 44.72 43.35 2ies s GLY 159 CO 0.07 -1.31 0.85 -2.21 0.00 0.00 0.00 173.10 170.50 2ies n GLU 160 N 0.08 2.28 -1.82 2.90 2.13 -1.26 -2.68 120.64 122.26 2ies n GLU 160 Ca -0.10 -4.25 -0.42 0.00 0.66 0.00 0.00 57.16 53.06 2ies n GLU 160 Cb 0.54 -2.01 -0.02 0.00 0.27 0.00 0.00 31.44 30.22 2ies n GLU 160 CO 0.00 0.00 0.00 -0.06 -0.41 0.00 0.00 177.13 176.66 2ies s PHE 161 N -2.99 2.88 0.12 4.31 0.40 0.01 -4.92 117.98 117.80 2ies s PHE 161 Ca 0.45 0.66 0.30 0.00 -0.60 0.00 0.00 56.93 57.75 2ies s PHE 161 Cb 0.30 -4.03 1.24 0.00 0.51 0.00 0.00 43.02 41.04 2ies s PHE 161 CO -0.11 -3.64 1.94 0.87 0.70 0.00 0.00 175.22 174.98 2ies h LYS 162 N 5.75 0.00 0.00 0.44 1.57 -1.99 -3.21 116.57 119.13 2ies h LYS 162 Ca -0.45 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.33 2ies h LYS 162 Cb 1.21 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.52 2ies h LYS 162 CO 0.86 0.07 0.00 0.27 -0.57 0.00 0.00 179.45 180.08 2ies n ASN 163 N -3.21 0.00 0.33 0.86 6.94 -1.26 -4.93 115.26 114.00 2ies n ASN 163 Ca 0.00 -0.72 0.11 0.00 -0.02 0.00 0.00 54.58 53.95 2ies n ASN 163 Cb 0.34 0.00 0.59 0.00 -2.36 0.00 0.00 39.78 38.35 2ies n ASN 163 CO 0.00 0.00 0.00 2.19 -1.03 0.00 0.00 177.26 178.42 2ies h PHE 167 N -0.16 0.00 -0.19 -2.53 -5.15 -1.77 -2.13 116.94 105.02 2ies h PHE 167 Ca 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 57.97 57.77 2ies h PHE 167 Cb 0.00 0.00 -0.01 0.00 0.22 0.00 0.00 35.95 36.16 2ies h PHE 167 CO 0.00 0.00 0.12 -0.07 -2.00 0.00 0.00 178.31 176.36 2ies h LEU 168 N 0.00 0.20 0.00 2.10 3.38 -1.90 -3.48 115.31 115.61 2ies h LEU 168 Ca 0.00 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 2ies h LEU 168 Cb 1.04 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 41.74 2ies h LEU 168 CO 0.00 0.15 0.00 0.61 0.09 0.00 0.00 178.44 179.29 2ies n GLY 169 N -1.14 0.23 3.29 0.83 0.00 -0.80 -4.64 105.19 102.96 2ies n GLY 169 Ca -0.03 -0.96 -0.40 0.00 0.00 0.00 0.00 46.02 44.62 2ies n GLY 169 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2ies s ARG 170 N 0.00 2.66 0.07 1.61 0.52 -1.26 -0.81 118.95 121.74 2ies s ARG 170 Ca 0.00 -1.38 0.02 0.00 -0.52 0.00 0.00 55.73 53.84 2ies s ARG 170 Cb 0.00 -3.78 -0.04 0.00 0.52 0.00 0.00 34.95 31.65 2ies s ARG 170 CO 0.00 -0.91 -0.07 1.14 0.02 0.00 0.00 175.30 175.49 2ies s GLN 171 N 1.46 0.70 0.05 3.54 -2.07 -1.09 -4.97 119.66 117.27 2ies s GLN 171 Ca 0.03 -1.12 -0.09 0.00 -1.82 0.00 0.00 55.36 52.36 2ies s GLN 171 Cb -0.22 -0.18 0.00 0.00 -1.09 0.00 0.00 33.01 31.51 2ies s GLN 171 CO 0.03 -0.01 0.18 -1.59 -1.32 0.00 0.00 175.29 172.59 2ies s LYS 172 N -3.05 0.71 0.10 9.60 -2.85 -1.26 -0.32 119.74 122.67 2ies s LYS 172 Ca 0.04 -0.71 0.04 0.00 -1.00 0.00 0.00 55.97 54.34 2ies s LYS 172 Cb 0.00 0.29 -0.04 0.00 -2.06 0.00 0.00 37.83 36.03 2ies s LYS 172 CO -0.03 -0.21 -0.11 0.12 0.10 0.00 0.00 175.35 175.22 2ies s PHE 173 N -2.82 1.11 -0.07 1.78 5.36 -0.62 -4.99 117.98 117.73 2ies s PHE 173 Ca -0.03 -0.62 0.00 0.00 -0.96 0.00 0.00 56.93 55.32 2ies s PHE 173 Cb 0.00 -0.60 0.02 0.00 -0.34 0.00 0.00 43.02 42.10 2ies s PHE 173 CO -0.05 0.02 -0.04 0.99 -1.46 0.00 0.00 175.22 174.68 2ies s THR 174 N -2.28 0.65 -0.12 0.12 2.01 -1.26 -1.47 115.64 113.27 2ies s THR 174 Ca 0.05 -0.11 -0.07 0.00 0.31 0.00 0.00 61.69 61.87 2ies s THR 174 Cb -0.04 -0.70 -0.04 0.00 0.01 0.00 0.00 72.50 71.73 2ies s THR 174 CO 0.01 0.28 0.12 0.12 -0.69 0.00 0.00 174.62 174.46 2ies s PHE 175 N 1.39 3.54 0.04 4.92 5.36 0.17 -4.95 117.98 128.44 2ies s PHE 175 Ca -0.03 0.47 0.02 0.00 -0.96 0.00 0.00 56.93 56.43 2ies s PHE 175 Cb -0.13 -1.94 -0.02 0.00 -0.34 0.00 0.00 43.02 40.58 2ies s PHE 175 CO -0.03 0.67 -0.06 0.14 -1.46 0.00 0.00 175.22 174.48 2ies s VAL 179 N -0.91 0.43 0.17 3.12 -7.23 -1.26 -1.20 120.40 113.52 2ies s VAL 179 Ca 0.14 -1.11 -0.33 0.00 -1.81 0.00 0.00 61.98 58.87 2ies s VAL 179 Cb -0.12 -0.62 -0.16 0.00 0.56 0.00 0.00 36.38 36.05 2ies s VAL 179 CO 0.03 -0.46 1.21 -0.62 -0.31 0.00 0.00 175.10 174.95 2ies n GLU 180 N 1.36 1.24 -0.02 4.82 1.02 -1.14 -1.72 120.64 126.20 2ies n GLU 180 Ca -0.22 0.44 0.00 0.00 -0.02 0.00 0.00 57.16 57.36 2ies n GLU 180 Cb 0.55 -1.97 0.00 0.00 -0.02 0.00 0.00 31.44 30.00 2ies n GLU 180 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2ies n GLY 181 N 2.11 0.49 1.27 0.62 0.00 -1.26 -4.95 105.19 103.47 2ies n GLY 181 Ca 0.15 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 46.10 2ies n GLY 181 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2ies n ASN 182 N 0.00 3.16 -0.03 1.61 4.13 -0.70 -4.82 115.26 118.61 2ies n ASN 182 Ca 0.00 -3.81 -0.12 0.00 1.68 0.00 0.00 54.58 52.34 2ies n ASN 182 Cb 0.00 -0.44 -0.06 0.00 -1.54 0.00 0.00 39.78 37.74 2ies n ASN 182 CO 0.00 0.00 0.00 -0.33 0.28 0.00 0.00 177.26 177.21 2ies h GLU 183 N 1.55 0.17 0.00 3.52 3.07 -1.93 -2.64 114.58 118.32 2ies h GLU 183 Ca 0.16 -0.04 0.00 0.00 -0.50 0.00 0.00 59.36 58.99 2ies h GLU 183 Cb 1.25 -0.02 0.00 0.00 -0.84 0.00 0.00 28.75 29.14 2ies h GLU 183 CO 0.35 0.33 0.04 0.39 -1.40 0.00 0.00 179.01 178.71 2ies n GLU 184 N -4.88 0.00 0.04 2.33 1.02 -1.26 -1.00 120.64 116.89 2ies n GLU 184 Ca -0.06 0.25 0.12 0.00 -0.02 0.00 0.00 57.16 57.45 2ies n GLU 184 Cb 0.14 -1.54 0.18 0.00 -0.02 0.00 0.00 31.44 30.20 2ies n GLU 184 CO 0.00 0.00 0.00 -1.91 1.18 0.00 0.00 177.13 176.40 2ies n GLU 185 N -1.22 0.20 0.00 3.49 2.13 -0.99 -4.41 120.64 119.84 2ies n GLU 185 Ca 0.00 0.05 0.00 0.00 0.66 0.00 0.00 57.16 57.87 2ies n GLU 185 Cb 0.04 -1.61 0.00 0.00 0.27 0.00 0.00 31.44 30.14 2ies n GLU 185 CO 0.00 0.00 0.00 0.44 -0.41 0.00 0.00 177.13 177.16 2ies n ILE 186 N -1.90 0.00 1.18 6.31 -5.35 -0.17 -4.72 119.36 114.71 2ies n ILE 186 Ca 0.04 -0.20 0.11 0.00 -0.27 0.00 0.00 62.75 62.43 2ies n ILE 186 Cb 0.41 0.91 0.61 0.00 -1.74 0.00 0.00 39.64 39.83 2ies n ILE 186 CO 0.00 0.00 0.00 1.33 -1.76 0.00 0.00 176.55 176.12 2ies n VAL 187 N -0.47 0.21 0.62 7.28 0.24 -0.95 -2.84 118.33 122.41 2ies n VAL 187 Ca 0.00 0.05 0.07 0.00 -2.04 0.00 0.00 64.34 62.42 2ies n VAL 187 Cb 0.00 -0.67 -0.09 0.00 -1.47 0.00 0.00 33.84 31.61 2ies n VAL 187 CO 0.00 0.00 0.00 0.18 -2.14 0.00 0.00 176.83 174.87 2ies n LEU 188 N -1.22 0.62 -4.72 1.34 4.77 -1.26 0.09 117.00 116.62 2ies n LEU 188 Ca 0.12 -0.45 -0.42 0.00 -0.03 0.00 0.00 56.01 55.24 2ies n LEU 188 Cb 0.16 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.22 2ies n LEU 188 CO 0.17 0.16 0.97 0.00 -1.33 0.00 0.00 177.39 177.35 2ies s ALA 189 N -2.46 3.49 0.80 -1.18 0.00 -1.13 -4.84 121.76 116.45 2ies s ALA 189 Ca 0.04 0.98 -0.08 0.00 0.00 0.00 0.00 51.96 52.91 2ies s ALA 189 Cb 0.11 -3.49 0.13 0.00 0.00 0.00 0.00 23.12 19.87 2ies s ALA 189 CO 0.61 -0.52 1.12 1.03 0.00 0.00 0.00 175.76 178.00 2ies s ARG 190 N 1.03 1.50 0.30 0.00 0.52 -1.26 -4.27 118.95 116.78 2ies s ARG 190 Ca 0.61 -0.54 -0.20 0.00 -0.52 0.00 0.00 55.73 55.08 2ies s ARG 190 Cb -0.33 -2.10 -0.09 0.00 0.52 0.00 0.00 34.95 32.95 2ies s ARG 190 CO 0.30 -1.72 0.82 -0.08 0.02 0.00 0.00 175.30 174.64 2ies s THR 191 N -3.45 4.47 0.16 0.02 -1.32 0.05 -4.63 115.64 110.94 2ies s THR 191 Ca 0.67 1.38 0.04 0.00 -1.21 0.00 0.00 61.69 62.57 2ies s THR 191 Cb -0.07 -3.80 -0.05 0.00 -1.51 0.00 0.00 72.50 67.08 2ies s THR 191 CO 0.48 0.01 -0.08 0.72 -2.21 0.00 0.00 174.62 173.54 2ies s PHE 192 N -1.76 1.29 -0.11 9.09 -0.12 -1.26 -0.35 117.98 124.76 2ies s PHE 192 Ca 0.50 -0.79 -0.25 0.00 -0.05 0.00 0.00 56.93 56.34 2ies s PHE 192 Cb -0.14 -0.68 0.06 0.00 -0.63 0.00 0.00 43.02 41.63 2ies s PHE 192 CO 0.20 0.05 0.59 0.00 -0.05 0.00 0.00 175.22 176.01 2ies s ALA 193 N -3.36 -1.51 0.48 1.99 0.00 -0.88 -4.92 121.76 113.56 2ies s ALA 193 Ca 0.18 1.31 -0.03 0.00 0.00 0.00 0.00 51.96 53.42 2ies s ALA 193 Cb 0.03 -0.37 -0.02 0.00 0.00 0.00 0.00 23.12 22.76 2ies s ALA 193 CO 0.02 -0.32 0.75 -0.06 0.00 0.00 0.00 175.76 176.15 2ies s PHE 194 N -0.64 3.42 0.27 0.00 0.40 -1.26 -0.59 117.98 119.59 2ies s PHE 194 Ca -0.07 0.60 -0.03 0.00 -0.60 0.00 0.00 56.93 56.83 2ies s PHE 194 Cb -0.03 -2.34 0.37 0.00 0.51 0.00 0.00 43.02 41.54 2ies s PHE 194 CO 0.06 -0.35 1.86 0.38 0.70 0.00 0.00 175.22 177.87 2ies h ASP 195 N 0.25 0.89 -1.01 1.36 3.04 -0.99 -3.32 116.42 116.65 2ies h ASP 195 Ca -0.47 -0.11 -0.53 0.00 -3.24 0.00 0.00 57.03 52.67 2ies h ASP 195 Cb 1.23 -0.23 -0.09 0.00 -1.04 0.00 0.00 39.33 39.20 2ies h ASP 195 CO 0.61 0.78 1.37 -1.66 -2.04 0.00 0.00 179.24 178.29 2ies s TRP 196 N -5.50 2.38 0.00 4.15 -2.14 -1.26 -2.32 118.94 114.26 2ies s TRP 196 Ca -0.11 -0.55 0.00 0.00 2.66 0.00 0.00 56.10 58.10 2ies s TRP 196 Cb 0.16 -4.55 0.00 0.00 -3.10 0.00 0.00 33.47 25.98 2ies s TRP 196 CO 0.81 -1.88 0.00 0.39 -2.66 0.00 0.00 176.95 173.60 2ies n GLU 197 N 8.85 0.00 -0.27 3.25 1.02 -1.26 -4.96 120.64 127.27 2ies n GLU 197 Ca 0.35 0.00 0.15 0.00 -0.02 0.00 0.00 57.16 57.65 2ies n GLU 197 Cb 0.50 0.00 0.30 0.00 -0.02 0.00 0.00 31.44 32.21 2ies n GLU 197 CO 0.00 0.00 0.00 -0.89 1.18 0.00 0.00 177.13 177.42 2ies n ILE 198 N 0.00 -0.34 0.20 -3.67 2.08 -0.98 0.14 119.36 116.79 2ies n ILE 198 Ca 0.00 1.72 -0.12 0.00 0.56 0.00 0.00 62.75 64.91 2ies n ILE 198 Cb 0.00 -2.58 -0.07 0.00 -0.75 0.00 0.00 39.64 36.24 2ies n ILE 198 CO 0.00 0.00 0.00 -0.08 0.56 0.00 0.00 176.55 177.03 2ies h GLU 199 N 0.00 -0.66 -0.80 0.38 4.81 -1.93 -1.11 114.58 115.26 2ies h GLU 199 Ca 0.53 0.04 0.12 0.00 -0.13 0.00 0.00 59.36 59.93 2ies h GLU 199 Cb 1.21 0.15 -0.13 0.00 0.63 0.00 0.00 28.75 30.60 2ies h GLU 199 CO -0.72 -0.44 -0.40 1.25 -0.73 0.00 0.00 179.01 177.98 2ies h HIS 200 N -0.68 -1.15 -0.58 0.92 2.76 0.81 -0.36 115.15 116.88 2ies h HIS 200 Ca -0.04 0.09 0.09 0.00 -2.20 0.00 0.00 60.37 58.31 2ies h HIS 200 Cb 0.59 0.62 -0.07 0.00 1.55 0.00 0.00 27.41 30.10 2ies h HIS 200 CO -0.20 -0.40 0.20 0.82 -1.30 0.00 0.00 177.93 177.05 2ies h ILE 201 N -0.09 0.77 -0.19 6.26 2.04 0.05 -0.98 117.51 125.36 2ies h ILE 201 Ca 0.27 -0.13 -0.09 0.00 1.00 0.00 0.00 64.86 65.91 2ies h ILE 201 Cb 0.56 0.36 -0.01 0.00 -0.74 0.00 0.00 36.82 36.99 2ies h ILE 201 CO -0.84 0.07 -0.27 0.11 0.00 0.00 0.00 178.15 177.21 2ies h LYS 202 N 0.37 0.37 -0.10 2.37 1.79 0.01 -1.55 116.57 119.83 2ies h LYS 202 Ca 0.29 -0.14 -0.15 0.00 -2.18 0.00 0.00 60.65 58.48 2ies h LYS 202 Cb 0.36 -0.02 -0.01 0.00 -1.58 0.00 0.00 32.23 30.98 2ies h LYS 202 CO -0.30 0.62 -0.57 -0.22 -1.08 0.00 0.00 179.45 177.90 2ies h LYS 203 N 0.33 0.32 -0.89 3.15 1.63 -0.03 -2.71 116.57 118.38 2ies h LYS 203 Ca 0.05 -0.21 -0.12 0.00 -0.85 0.00 0.00 60.65 59.52 2ies h LYS 203 Cb 0.66 0.03 -0.07 0.00 -0.60 0.00 0.00 32.23 32.24 2ies h LYS 203 CO 0.05 0.80 0.15 1.33 -3.45 0.00 0.00 179.45 178.33 2ies n VAL 204 N -3.91 1.72 -3.10 2.00 0.24 -0.48 -4.89 118.33 109.90 2ies n VAL 204 Ca -0.02 -0.82 -0.14 0.00 -2.04 0.00 0.00 64.34 61.32 2ies n VAL 204 Cb 0.60 -0.55 0.07 0.00 -1.47 0.00 0.00 33.84 32.48 2ies n VAL 204 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2ies n GLY 205 N 0.02 -0.53 3.41 7.63 0.00 -1.02 -5.06 105.19 109.64 2ies n GLY 205 Ca 0.21 0.23 -0.10 0.00 0.00 0.00 0.00 46.02 46.35 2ies n GLY 205 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2ies s LEU 206 N -5.38 0.72 -1.36 0.99 1.43 -0.59 -4.91 118.68 109.58 2ies s LEU 206 Ca 0.19 -1.13 0.00 0.00 -1.03 0.00 0.00 54.13 52.16 2ies s LEU 206 Cb -0.02 1.13 0.00 0.00 0.03 0.00 0.00 46.19 47.33 2ies s LEU 206 CO 0.62 -1.00 0.00 0.61 0.23 0.00 0.00 176.35 176.82 2ies n GLY 207 N -0.32 1.35 0.33 -3.19 0.00 -1.16 -3.65 105.19 98.54 2ies n GLY 207 Ca -0.00 -0.34 0.17 0.00 0.00 0.00 0.00 46.02 45.85 2ies n GLY 207 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2ies h LYS 208 N 0.03 0.00 0.00 1.61 1.57 0.28 -0.67 116.57 119.39 2ies h LYS 208 Ca -0.26 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.52 2ies h LYS 208 Cb 0.89 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.20 2ies h LYS 208 CO 0.38 0.00 -0.87 0.41 -0.57 0.00 0.00 179.45 178.81 2ies n GLY 209 N -1.35 -1.07 3.68 3.86 0.00 0.17 -4.45 105.19 106.04 2ies n GLY 209 Ca -0.00 -0.53 -0.39 0.00 0.00 0.00 0.00 46.02 45.09 2ies n GLY 209 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2ies n GLY 210 N 1.50 0.29 3.72 -0.02 0.00 -0.26 -4.80 105.19 105.62 2ies n GLY 210 Ca 0.04 0.04 -0.04 0.00 0.00 0.00 0.00 46.02 46.07 2ies n GLY 210 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2ies s SER 211 N -0.87 -0.21 0.03 1.61 1.04 -1.26 -5.01 113.70 109.04 2ies s SER 211 Ca 0.69 -0.35 0.14 0.00 0.48 0.00 0.00 55.95 56.90 2ies s SER 211 Cb -0.46 0.48 0.59 0.00 0.10 0.00 0.00 66.02 66.73 2ies s SER 211 CO 0.52 -0.88 1.43 0.18 0.98 0.00 0.00 173.24 175.47 2ies n LEU 212 N -0.44 0.08 0.10 2.42 4.77 -1.26 0.50 117.00 123.18 2ies n LEU 212 Ca -0.07 0.52 0.05 0.00 -0.03 0.00 0.00 56.01 56.49 2ies n LEU 212 Cb 0.61 -0.51 -0.01 0.00 -2.33 0.00 0.00 43.42 41.18 2ies n LEU 212 CO 0.13 -0.33 0.10 0.11 -1.33 0.00 0.00 177.39 176.07 2ies h LYS 213 N 0.00 0.00 0.00 3.23 1.57 -1.96 -3.38 116.57 116.03 2ies h LYS 213 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 2ies h LYS 213 Cb 0.22 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.53 2ies h LYS 213 CO 0.00 0.23 -1.10 0.27 -0.57 0.00 0.00 179.45 178.28 2ies n ASN 214 N -2.94 3.48 -4.22 0.86 0.23 -0.87 -4.75 115.26 107.06 2ies n ASN 214 Ca -0.03 -0.07 -0.22 0.00 -0.53 0.00 0.00 54.58 53.73 2ies n ASN 214 Cb 0.70 1.19 -0.13 0.00 -2.08 0.00 0.00 39.78 39.46 2ies n ASN 214 CO 0.00 0.00 0.00 -0.89 -0.93 0.00 0.00 177.26 175.44 2ies s THR 215 N -2.22 1.44 -0.42 5.53 2.01 0.18 -3.50 115.64 118.66 2ies s THR 215 Ca -0.01 -1.27 -0.11 0.00 0.31 0.00 0.00 61.69 60.61 2ies s THR 215 Cb 0.03 -1.30 0.06 0.00 0.01 0.00 0.00 72.50 71.30 2ies s THR 215 CO 0.20 0.00 0.27 -0.22 -0.69 0.00 0.00 174.62 174.18 2ies s LEU 216 N -1.48 5.12 -0.19 4.42 0.20 0.53 -4.17 118.68 123.11 2ies s LEU 216 Ca 0.04 -1.29 -0.20 0.00 0.69 0.00 0.00 54.13 53.37 2ies s LEU 216 Cb -0.09 -2.05 -0.03 0.00 -0.43 0.00 0.00 46.19 43.59 2ies s LEU 216 CO 0.02 -0.51 0.59 -0.69 -0.29 0.00 0.00 176.35 175.47 2ies s VAL 217 N 1.52 5.06 -0.09 1.68 1.01 -1.26 -2.07 120.40 126.24 2ies s VAL 217 Ca 0.03 1.10 -0.01 0.00 0.00 0.00 0.00 61.98 63.09 2ies s VAL 217 Cb -0.22 -3.90 -0.03 0.00 0.00 0.00 0.00 36.38 32.22 2ies s VAL 217 CO 0.05 0.14 -0.03 -0.76 0.00 0.00 0.00 175.10 174.50 2ies s LEU 218 N 1.75 3.36 0.00 3.92 1.43 0.24 -2.04 118.68 127.34 2ies s LEU 218 Ca 0.27 0.03 0.01 0.00 -1.03 0.00 0.00 54.13 53.41 2ies s LEU 218 Cb -0.16 -1.76 0.08 0.00 0.03 0.00 0.00 46.19 44.38 2ies s LEU 218 CO 0.10 0.33 0.60 0.61 0.23 0.00 0.00 176.35 178.22 2ies n GLY 219 N 2.46 1.01 0.32 -3.19 0.00 0.18 -0.32 105.19 105.65 2ies n GLY 219 Ca -0.18 -2.05 0.20 0.00 0.00 0.00 0.00 46.02 43.99 2ies n GLY 219 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 2ies h LYS 220 N 0.00 0.00 0.00 1.61 1.63 -1.99 -3.33 116.57 114.49 2ies h LYS 220 Ca -0.20 0.00 -0.10 0.00 -0.85 0.00 0.00 60.65 59.50 2ies h LYS 220 Cb 0.78 0.00 -0.09 0.00 -0.60 0.00 0.00 32.23 32.32 2ies h LYS 220 CO 0.23 0.01 0.05 -0.40 -3.45 0.00 0.00 179.45 175.89 2ies n ASP 221 N -3.30 -1.10 -3.70 4.20 3.85 -1.26 -2.56 116.55 112.69 2ies n ASP 221 Ca -0.03 -1.71 -0.05 0.00 -0.71 0.00 0.00 54.79 52.29 2ies n ASP 221 Cb 0.10 0.82 -0.02 0.00 -1.35 0.00 0.00 41.12 40.68 2ies n ASP 221 CO 0.00 0.00 0.00 -1.59 -1.01 0.00 0.00 177.20 174.60 2ies s LYS 222 N 0.06 1.21 -0.23 0.11 -2.85 -1.25 -4.98 119.74 111.81 2ies s LYS 222 Ca 0.06 -0.62 0.01 0.00 -1.00 0.00 0.00 55.97 54.42 2ies s LYS 222 Cb 0.13 0.44 0.06 0.00 -2.06 0.00 0.00 37.83 36.40 2ies s LYS 222 CO -0.03 -0.55 -0.08 0.08 0.10 0.00 0.00 175.35 174.87 2ies s VAL 223 N -3.37 1.71 0.09 1.79 1.01 -1.26 0.50 120.40 120.86 2ies s VAL 223 Ca 0.10 -1.28 -0.26 0.00 0.00 0.00 0.00 61.98 60.54 2ies s VAL 223 Cb -0.02 -1.90 -0.14 0.00 0.00 0.00 0.00 36.38 34.32 2ies s VAL 223 CO -0.00 -0.03 1.70 1.88 0.00 0.00 0.00 175.10 178.65 2ies h TYR 224 N 7.91 -0.27 -1.64 5.22 -1.99 -1.78 -3.43 116.97 121.00 2ies h TYR 224 Ca -0.20 -0.00 -0.69 0.00 2.00 0.00 0.00 58.73 59.84 2ies h TYR 224 Cb 1.07 0.10 0.06 0.00 2.00 0.00 0.00 36.73 39.95 2ies h TYR 224 CO 0.53 -0.16 0.37 0.09 -0.00 0.00 0.00 178.16 178.99 2ies n ASN 225 N -5.22 1.39 0.25 3.88 4.13 -1.26 -4.81 115.26 113.63 2ies n ASN 225 Ca -0.08 1.13 0.14 0.00 1.68 0.00 0.00 54.58 57.45 2ies n ASN 225 Cb 0.14 -1.16 0.51 0.00 -1.54 0.00 0.00 39.78 37.73 2ies n ASN 225 CO 0.00 0.00 0.00 1.55 0.28 0.00 0.00 177.26 179.09 2ies h PRO 226 N 4.18 0.00 0.00 3.52 0.13 -1.94 -2.92 132.00 134.97 2ies h PRO 226 Ca -0.47 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.66 2ies h PRO 226 Cb 1.35 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.48 2ies h PRO 226 CO 0.75 0.05 0.00 -0.85 -0.23 0.00 0.00 178.00 177.72 2ies n GLU 227 N -3.15 0.77 -0.62 0.86 0.00 -1.26 -5.00 120.64 112.24 2ies n GLU 227 Ca 0.01 0.00 0.08 0.00 0.00 0.00 0.00 57.16 57.26 2ies n GLU 227 Cb 0.39 -1.33 -0.02 0.00 0.00 0.00 0.00 31.44 30.48 2ies n GLU 227 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 2ies n GLY 228 N 0.45 -1.12 3.80 -1.84 0.00 -1.10 -4.73 105.19 100.64 2ies n GLY 228 Ca 0.12 -0.83 -0.38 0.00 0.00 0.00 0.00 46.02 44.94 2ies n GLY 228 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2ies s LEU 229 N 0.00 4.48 -0.03 0.99 1.43 -1.26 -4.98 118.68 119.31 2ies s LEU 229 Ca 0.00 1.50 -0.24 0.00 -1.03 0.00 0.00 54.13 54.35 2ies s LEU 229 Cb 0.00 -3.35 -0.20 0.00 0.03 0.00 0.00 46.19 42.66 2ies s LEU 229 CO 0.00 0.15 1.17 0.03 0.23 0.00 0.00 176.35 177.92 2ies h ARG 230 N 3.99 0.13 -6.42 1.70 3.08 -1.97 -3.44 114.38 111.44 2ies h ARG 230 Ca -0.48 -0.10 -0.62 0.00 0.07 0.00 0.00 59.98 58.85 2ies h ARG 230 Cb 1.20 0.02 -0.24 0.00 0.08 0.00 0.00 29.97 31.03 2ies h ARG 230 CO 0.65 0.72 -0.85 0.71 -1.07 0.00 0.00 179.97 180.13 2ies s TYR 231 N -3.73 2.03 0.32 3.04 4.12 -1.26 -5.00 117.35 116.86 2ies s TYR 231 Ca -0.16 -0.39 0.10 0.00 0.02 0.00 0.00 57.07 56.64 2ies s TYR 231 Cb 0.02 -1.16 0.90 0.00 -1.52 0.00 0.00 41.96 40.20 2ies s TYR 231 CO 0.71 0.17 1.71 1.05 0.02 0.00 0.00 175.55 179.22 2ies h GLU 232 N 4.48 0.50 -0.49 -0.62 4.11 -2.03 -0.07 114.58 120.47 2ies h GLU 232 Ca -0.46 -0.03 -0.27 0.00 0.07 0.00 0.00 59.36 58.67 2ies h GLU 232 Cb 1.16 -0.11 -0.16 0.00 0.50 0.00 0.00 28.75 30.14 2ies h GLU 232 CO 0.42 0.33 0.02 0.27 0.07 0.00 0.00 179.01 180.12 2ies n ASN 233 N -4.93 2.93 -0.31 3.06 0.23 -1.26 -4.82 115.26 110.16 2ies n ASN 233 Ca 0.27 -3.77 0.11 0.00 -0.53 0.00 0.00 54.58 50.65 2ies n ASN 233 Cb 0.78 -0.67 0.23 0.00 -2.08 0.00 0.00 39.78 38.04 2ies n ASN 233 CO 0.00 0.00 0.00 -0.08 -0.93 0.00 0.00 177.26 176.25 2ies h GLU 234 N 1.09 0.05 0.08 -3.83 4.81 -1.39 -1.42 114.58 113.98 2ies h GLU 234 Ca 0.30 -0.00 0.02 0.00 -0.13 0.00 0.00 59.36 59.55 2ies h GLU 234 Cb 1.79 -0.01 -0.05 0.00 0.63 0.00 0.00 28.75 31.11 2ies h GLU 234 CO 0.55 0.03 -0.41 -1.35 -0.73 0.00 0.00 179.01 177.11 2ies h PRO 235 N 0.05 -0.60 -1.00 0.92 0.11 -1.87 -1.02 132.00 128.60 2ies h PRO 235 Ca 0.52 0.04 0.13 0.00 0.11 0.00 0.00 66.00 66.80 2ies h PRO 235 Cb 1.01 0.14 -0.09 0.00 0.11 0.00 0.00 31.00 32.17 2ies h PRO 235 CO -0.84 -0.40 0.63 0.28 -0.21 0.00 0.00 178.00 177.46 2ies h VAL 236 N -0.62 0.90 0.52 3.15 2.07 -1.66 -1.57 116.25 119.04 2ies h VAL 236 Ca 0.03 -0.33 -0.02 0.00 0.82 0.00 0.00 66.70 67.20 2ies h VAL 236 Cb 0.66 -0.14 0.00 0.00 -1.52 0.00 0.00 31.29 30.29 2ies h VAL 236 CO -0.26 0.17 -0.27 0.03 0.02 0.00 0.00 177.57 177.27 2ies h ARG 237 N 0.96 -0.70 -0.72 1.57 3.08 -0.85 -2.30 114.38 115.42 2ies h ARG 237 Ca 0.50 0.05 0.15 0.00 0.07 0.00 0.00 59.98 60.74 2ies h ARG 237 Cb 0.54 0.16 -0.10 0.00 0.08 0.00 0.00 29.97 30.64 2ies h ARG 237 CO -0.27 -0.47 0.21 1.25 -1.07 0.00 0.00 179.97 179.62 2ies h HIS 238 N -0.73 0.34 -0.71 3.04 2.76 -0.45 0.42 115.15 119.82 2ies h HIS 238 Ca -0.07 0.04 0.13 0.00 -2.20 0.00 0.00 60.37 58.27 2ies h HIS 238 Cb 0.57 -0.04 -0.05 0.00 1.55 0.00 0.00 27.41 29.44 2ies h HIS 238 CO -0.06 -0.03 0.48 0.87 -1.30 0.00 0.00 177.93 177.89 2ies h LYS 239 N 0.32 0.42 -0.22 5.26 1.79 -0.93 0.39 116.57 123.61 2ies h LYS 239 Ca 0.40 -0.03 -0.13 0.00 -2.18 0.00 0.00 60.65 58.72 2ies h LYS 239 Cb 0.65 -0.10 -0.00 0.00 -1.58 0.00 0.00 32.23 31.20 2ies h LYS 239 CO -0.46 0.28 -0.35 0.28 -1.08 0.00 0.00 179.45 178.12 2ies h VAL 240 N 0.43 1.32 0.13 0.50 2.07 0.30 -1.79 116.25 119.22 2ies h VAL 240 Ca 0.34 -1.56 0.02 0.00 0.82 0.00 0.00 66.70 66.32 2ies h VAL 240 Cb 0.74 1.79 -0.04 0.00 -1.52 0.00 0.00 31.29 32.26 2ies h VAL 240 CO -0.11 0.49 -0.32 0.15 0.02 0.00 0.00 177.57 177.80 2ies h PHE 241 N 0.32 -0.86 -0.32 1.57 3.57 0.82 -1.29 116.94 120.75 2ies h PHE 241 Ca 0.02 0.02 0.04 0.00 3.53 0.00 0.00 57.97 61.58 2ies h PHE 241 Cb 0.94 0.36 -0.07 0.00 2.79 0.00 0.00 35.95 39.97 2ies h PHE 241 CO 0.08 -0.42 -0.49 -0.44 -2.23 0.00 0.00 178.31 174.81 2ies h ASP 242 N -0.55 -1.63 -0.71 0.41 3.32 -0.26 -1.48 116.42 115.53 2ies h ASP 242 Ca 0.03 0.21 0.15 0.00 0.02 0.00 0.00 57.03 57.44 2ies h ASP 242 Cb 0.57 0.66 -0.11 0.00 0.22 0.00 0.00 39.33 40.67 2ies h ASP 242 CO -0.18 -0.37 0.11 0.25 -1.72 0.00 0.00 179.24 177.33 2ies h LEU 243 N -0.38 -0.11 0.44 1.55 5.85 -1.09 0.13 115.31 121.71 2ies h LEU 243 Ca 0.06 0.15 -0.01 0.00 0.84 0.00 0.00 57.88 58.92 2ies h LEU 243 Cb 0.54 0.24 -0.02 0.00 0.37 0.00 0.00 40.66 41.78 2ies h LEU 243 CO -0.50 -0.08 -0.39 0.40 -0.34 0.00 0.00 178.44 177.53 2ies h ILE 244 N 0.21 0.21 -0.87 4.05 2.04 -0.26 0.32 117.51 123.20 2ies h ILE 244 Ca 0.39 0.00 0.13 0.00 1.00 0.00 0.00 64.86 66.38 2ies h ILE 244 Cb 0.67 0.21 -0.09 0.00 -0.74 0.00 0.00 36.82 36.87 2ies h ILE 244 CO -0.54 0.00 0.49 1.23 0.00 0.00 0.00 178.15 179.33 2ies h GLY 245 N -0.83 1.41 0.95 5.37 0.00 -0.41 -0.65 103.07 108.91 2ies h GLY 245 Ca -0.04 -0.30 0.01 0.00 0.00 0.00 0.00 47.33 46.99 2ies h GLY 245 CO -0.03 0.04 0.04 -0.55 0.00 0.00 0.00 176.54 176.03 2ies h ASP 246 N 0.74 0.05 -0.48 0.19 3.32 -0.06 -2.13 116.42 118.04 2ies h ASP 246 Ca 0.46 0.01 0.14 0.00 0.02 0.00 0.00 57.03 57.65 2ies h ASP 246 Cb 0.56 -0.00 -0.02 0.00 0.22 0.00 0.00 39.33 40.09 2ies h ASP 246 CO -0.31 0.04 0.41 -0.07 -1.72 0.00 0.00 179.24 177.59 2ies h LEU 247 N 0.08 0.00 0.00 1.55 3.38 0.11 0.13 115.31 120.56 2ies h LEU 247 Ca 0.04 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.01 2ies h LEU 247 Cb 0.01 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.76 2ies h LEU 247 CO -0.03 0.00 0.00 0.00 0.09 0.00 0.00 178.44 178.50 2ies n TYR 248 N -4.03 0.00 1.90 1.13 9.36 -0.80 -1.93 117.16 122.79 2ies n TYR 248 Ca 0.09 0.00 0.06 0.00 3.32 0.00 0.00 57.90 61.37 2ies n TYR 248 Cb 0.61 -0.13 0.33 0.00 -0.63 0.00 0.00 39.34 39.53 2ies n TYR 248 CO 0.00 0.00 0.00 1.28 0.22 0.00 0.00 176.86 178.36 2ies n LEU 249 N -1.13 0.19 -0.02 2.98 4.77 0.45 -2.75 117.00 121.49 2ies n LEU 249 Ca 0.06 -0.09 0.14 0.00 -0.03 0.00 0.00 56.01 56.09 2ies n LEU 249 Cb 0.05 -0.02 0.59 0.00 -2.33 0.00 0.00 43.42 41.72 2ies n LEU 249 CO 0.06 0.04 0.88 0.18 -1.33 0.00 0.00 177.39 177.23 2ies n LEU 250 N -0.56 0.16 0.00 2.23 4.77 -0.81 -1.46 117.00 121.33 2ies n LEU 250 Ca 0.09 0.29 0.00 0.00 -0.03 0.00 0.00 56.01 56.37 2ies n LEU 250 Cb 0.07 -0.36 0.00 0.00 -2.33 0.00 0.00 43.42 40.80 2ies n LEU 250 CO 0.07 0.03 0.00 0.61 -1.33 0.00 0.00 177.39 176.77 2ies n GLY 251 N 1.42 0.87 0.00 -0.72 0.00 -1.11 -4.99 105.19 100.66 2ies n GLY 251 Ca 0.10 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.12 2ies n GLY 251 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2ies n SER 252 N 0.00 0.00 -4.38 1.61 3.41 -1.26 -4.93 113.62 108.07 2ies n SER 252 Ca 0.00 0.00 -0.43 0.00 -0.26 0.00 0.00 58.87 58.18 2ies n SER 252 Cb 0.00 0.00 -0.01 0.00 -0.26 0.00 0.00 64.21 63.94 2ies n SER 252 CO 0.00 0.00 0.00 -2.65 -0.16 0.00 0.00 175.04 172.23 2ies n PRO 253 N -0.04 0.23 -4.14 4.33 -0.02 -1.26 -4.47 135.00 129.63 2ies n PRO 253 Ca 0.00 0.08 -0.25 0.00 -2.02 0.00 0.00 63.50 61.32 2ies n PRO 253 Cb 0.00 -1.19 -0.06 0.00 -0.02 0.00 0.00 33.50 32.23 2ies n PRO 253 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 2ies s VAL 254 N -1.44 4.22 -0.27 -1.45 1.01 -1.26 -1.14 120.40 120.07 2ies s VAL 254 Ca 0.61 -1.34 -0.04 0.00 0.00 0.00 0.00 61.98 61.22 2ies s VAL 254 Cb -0.69 -3.20 0.09 0.00 0.00 0.00 0.00 36.38 32.58 2ies s VAL 254 CO 0.60 -0.22 0.12 -0.54 0.00 0.00 0.00 175.10 175.06 2ies s LYS 255 N -3.37 0.18 0.12 2.72 -0.14 -0.90 -4.59 119.74 113.76 2ies s LYS 255 Ca 0.31 -0.47 -0.25 0.00 -1.36 0.00 0.00 55.97 54.20 2ies s LYS 255 Cb -0.09 -1.29 0.08 0.00 -1.68 0.00 0.00 37.83 34.86 2ies s LYS 255 CO 0.23 -0.96 1.09 0.20 -0.76 0.00 0.00 175.35 175.14 2ies s GLY 256 N 2.09 -0.06 -0.31 -3.33 0.00 -0.97 -2.33 107.32 102.42 2ies s GLY 256 Ca 0.08 -0.06 -0.02 0.00 0.00 0.00 0.00 44.72 44.73 2ies s GLY 256 CO -0.32 2.08 0.01 1.25 0.00 0.00 0.00 173.10 176.12 2ies s LYS 257 N -2.41 2.38 -0.09 2.90 2.20 0.28 -1.53 119.74 123.47 2ies s LYS 257 Ca 0.20 -1.31 -0.00 0.00 -0.36 0.00 0.00 55.97 54.50 2ies s LYS 257 Cb -0.01 -3.20 -0.03 0.00 -1.51 0.00 0.00 37.83 33.08 2ies s LYS 257 CO 0.03 -0.65 -0.06 -0.06 -0.36 0.00 0.00 175.35 174.24 2ies s PHE 258 N 1.24 2.97 -0.18 4.03 0.40 0.88 -1.02 117.98 126.29 2ies s PHE 258 Ca -0.04 -0.05 0.01 0.00 -0.60 0.00 0.00 56.93 56.25 2ies s PHE 258 Cb -0.20 -1.77 0.02 0.00 0.51 0.00 0.00 43.02 41.59 2ies s PHE 258 CO -0.01 0.26 -0.18 -0.47 0.70 0.00 0.00 175.22 175.51 2ies s TYR 259 N -0.57 2.66 -0.14 0.36 5.04 0.23 -0.51 117.35 124.43 2ies s TYR 259 Ca 0.09 -1.58 0.01 0.00 -2.44 0.00 0.00 57.07 53.15 2ies s TYR 259 Cb -0.12 -1.85 0.02 0.00 0.35 0.00 0.00 41.96 40.36 2ies s TYR 259 CO 0.02 -0.78 -0.17 0.45 -1.34 0.00 0.00 175.55 173.73 2ies s SER 260 N 1.33 2.78 -0.32 4.32 0.15 0.30 0.75 113.70 123.02 2ies s SER 260 Ca 0.05 -0.52 -0.03 0.00 0.70 0.00 0.00 55.95 56.14 2ies s SER 260 Cb -0.13 -1.26 0.05 0.00 -1.71 0.00 0.00 66.02 62.97 2ies s SER 260 CO -0.12 -0.00 0.04 0.12 1.20 0.00 0.00 173.24 174.48 2ies s PHE 261 N 1.19 3.29 -1.11 3.44 5.36 0.56 -0.52 117.98 130.19 2ies s PHE 261 Ca -0.00 -1.82 -0.01 0.00 -0.96 0.00 0.00 56.93 54.14 2ies s PHE 261 Cb -0.14 -2.24 0.00 0.00 -0.34 0.00 0.00 43.02 40.30 2ies s PHE 261 CO -0.07 -0.80 0.93 0.54 -1.46 0.00 0.00 175.22 174.36 2ies n ARG 262 N 4.66 -6.19 -2.16 10.12 1.74 -0.56 -2.33 116.66 121.94 2ies n ARG 262 Ca -0.12 0.77 -0.28 0.00 -0.77 0.00 0.00 57.85 57.45 2ies n ARG 262 Cb 0.43 -5.56 0.16 0.00 -1.02 0.00 0.00 32.46 26.48 2ies n ARG 262 CO 0.00 0.00 0.00 0.20 -1.52 0.00 0.00 177.63 176.31 2ies s GLY 263 N -4.10 1.78 -0.23 -0.13 0.00 -1.26 -4.57 107.32 98.80 2ies s GLY 263 Ca 0.08 -1.41 -0.28 0.00 0.00 0.00 0.00 44.72 43.11 2ies s GLY 263 CO 0.66 -0.70 1.16 -0.32 0.00 0.00 0.00 173.10 173.90 2ies s GLY 264 N -4.85 -0.06 0.14 0.20 0.00 -1.26 -5.03 107.32 96.45 2ies s GLY 264 Ca 0.72 2.57 -0.03 0.00 0.00 0.00 0.00 44.72 47.98 2ies s GLY 264 CO 0.50 1.33 0.76 1.42 0.00 0.00 0.00 173.10 177.11 2ies n HIS 265 N 1.07 0.19 -0.02 1.90 8.25 -1.26 0.19 115.22 125.55 2ies n HIS 265 Ca -0.08 0.59 -0.13 0.00 -0.26 0.00 0.00 57.72 57.84 2ies n HIS 265 Cb 0.58 -0.79 -0.07 0.00 1.12 0.00 0.00 29.99 30.82 2ies n HIS 265 CO 0.00 0.00 0.00 0.77 0.64 0.00 0.00 176.34 177.75 2ies h SER 266 N 0.00 -1.46 -0.41 0.41 0.02 -1.82 0.22 113.55 110.51 2ies h SER 266 Ca 0.24 0.19 -0.06 0.00 -0.84 0.00 0.00 61.79 61.32 2ies h SER 266 Cb 0.38 0.59 -0.02 0.00 0.14 0.00 0.00 62.40 63.50 2ies h SER 266 CO -0.49 -0.44 0.03 0.25 -1.14 0.00 0.00 176.83 175.03 2ies h LEU 267 N -0.51 0.69 -0.52 5.07 5.85 -0.61 -2.32 115.31 122.97 2ies h LEU 267 Ca 0.07 -0.29 0.07 0.00 0.84 0.00 0.00 57.88 58.57 2ies h LEU 267 Cb 0.64 -0.18 -0.09 0.00 0.37 0.00 0.00 40.66 41.40 2ies h LEU 267 CO -0.43 0.81 -0.52 0.78 -0.34 0.00 0.00 178.44 178.74 2ies h ASN 268 N 0.55 -1.77 -0.34 1.25 4.21 -0.28 0.45 115.58 119.64 2ies h ASN 268 Ca 0.12 0.25 0.03 0.00 1.21 0.00 0.00 56.30 57.92 2ies h ASN 268 Cb 0.44 0.75 -0.03 0.00 -1.12 0.00 0.00 38.32 38.35 2ies h ASN 268 CO 0.02 -0.37 0.14 0.58 -1.29 0.00 0.00 177.43 176.51 2ies h VAL 269 N -0.31 0.93 -0.63 2.81 2.07 -0.55 -1.72 116.25 118.86 2ies h VAL 269 Ca 0.12 -0.10 0.13 0.00 0.82 0.00 0.00 66.70 67.66 2ies h VAL 269 Cb 0.57 0.61 -0.12 0.00 -1.52 0.00 0.00 31.29 30.83 2ies h VAL 269 CO -0.66 0.05 -0.16 0.50 0.02 0.00 0.00 177.57 177.33 2ies h LYS 270 N 0.30 -0.00 0.23 1.57 3.64 -0.52 0.29 116.57 122.08 2ies h LYS 270 Ca 0.15 0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 59.52 2ies h LYS 270 Cb 0.10 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 31.92 2ies h LYS 270 CO -0.14 -0.00 -0.18 1.25 -2.27 0.00 0.00 179.45 178.11 2ies h LEU 271 N -0.00 -0.48 -0.92 5.20 5.85 -0.55 -0.36 115.31 124.05 2ies h LEU 271 Ca 0.30 0.03 0.18 0.00 0.84 0.00 0.00 57.88 59.24 2ies h LEU 271 Cb 0.46 0.15 -0.17 0.00 0.37 0.00 0.00 40.66 41.47 2ies h LEU 271 CO -0.65 -0.26 -0.24 0.52 -0.34 0.00 0.00 178.44 177.47 2ies n VAL 272 N -3.42 -0.39 -0.06 1.05 0.31 -0.50 0.00 118.33 115.32 2ies n VAL 272 Ca -0.05 2.11 -0.11 0.00 -0.01 0.00 0.00 64.34 66.29 2ies n VAL 272 Cb 0.18 -2.91 -0.04 0.00 -0.91 0.00 0.00 33.84 30.15 2ies n VAL 272 CO 0.00 0.00 0.00 0.11 -1.32 0.00 0.00 176.83 175.62 2ies h LYS 273 N 0.00 0.32 0.00 5.55 1.57 -0.24 -1.13 116.57 122.64 2ies h LYS 273 Ca 0.43 -0.06 0.00 0.00 -1.87 0.00 0.00 60.65 59.15 2ies h LYS 273 Cb 0.66 -0.05 0.00 0.00 0.08 0.00 0.00 32.23 32.92 2ies h LYS 273 CO -0.95 0.39 0.00 0.39 -0.57 0.00 0.00 179.45 178.71 2ies n GLU 274 N -4.81 0.75 -0.02 3.15 1.02 0.71 -1.16 120.64 120.29 2ies n GLU 274 Ca -0.04 0.00 0.05 0.00 -0.02 0.00 0.00 57.16 57.15 2ies n GLU 274 Cb 0.13 -1.37 -0.11 0.00 -0.02 0.00 0.00 31.44 30.07 2ies n GLU 274 CO 0.00 0.00 0.00 -0.11 1.18 0.00 0.00 177.13 178.20 2ies n LEU 275 N -0.87 0.00 -0.04 -4.62 0.00 0.10 -4.41 117.00 107.17 2ies n LEU 275 Ca 0.14 0.00 0.03 0.00 0.00 0.00 0.00 56.01 56.17 2ies n LEU 275 Cb 0.06 0.05 -0.15 0.00 0.00 0.00 0.00 43.42 43.38 2ies n LEU 275 CO 0.10 0.05 -0.84 0.00 0.00 0.00 0.00 177.39 176.70 2ies n ALA 276 N -2.06 2.27 0.26 1.96 0.00 -0.50 -3.97 120.51 118.46 2ies n ALA 276 Ca -0.05 -0.80 0.03 0.00 0.00 0.00 0.00 53.44 52.61 2ies n ALA 276 Cb 0.45 -0.57 0.14 0.00 0.00 0.00 0.00 19.45 19.47 2ies n ALA 276 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 2ies n LYS 277 N -2.49 0.05 -1.17 0.00 4.81 -0.31 -0.39 118.16 118.65 2ies n LYS 277 Ca -0.15 0.30 -0.25 0.00 -0.87 0.00 0.00 58.31 57.34 2ies n LYS 277 Cb 0.80 -1.50 0.13 0.00 0.02 0.00 0.00 35.03 34.48 2ies n LYS 277 CO 0.00 0.00 0.00 1.63 1.17 0.00 0.00 177.40 180.20 2ies n LYS 278 N -1.38 2.28 -0.07 1.64 5.02 -1.25 -4.87 118.16 119.53 2ies n LYS 278 Ca 0.02 -2.85 0.00 0.00 -2.02 0.00 0.00 58.31 53.46 2ies n LYS 278 Cb 0.06 -2.12 0.00 0.00 -0.02 0.00 0.00 35.03 32.95 2ies n LYS 278 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2ies n GLN 279 N -0.92 -1.06 0.00 1.97 10.64 0.47 -5.11 117.38 123.38 2ies n GLN 279 Ca 0.56 0.02 0.00 0.00 -1.83 0.00 0.00 57.00 55.76 2ies n GLN 279 Cb 1.27 -2.07 0.00 0.00 -0.86 0.00 0.00 30.24 28.58 2ies n GLN 279 CO 0.00 0.00 0.00 1.17 -1.83 0.00 0.00 177.06 176.40