#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2a4g s GLU 30 N 0.00 2.12 0.03 5.55 2.02 -1.26 -4.92 118.70 122.24 2a4g s GLU 30 Ca 0.00 -0.93 0.01 0.00 0.02 0.00 0.00 54.97 54.07 2a4g s GLU 30 Cb 0.00 -2.06 -0.04 0.00 0.10 0.00 0.00 34.13 32.13 2a4g s GLU 30 CO 0.00 0.56 0.10 0.20 0.02 0.00 0.00 175.26 176.14 2a4g s GLY 31 N -0.66 2.05 0.01 -1.39 0.00 -0.53 -4.63 107.32 102.16 2a4g s GLY 31 Ca 0.10 -0.90 0.13 0.00 0.00 0.00 0.00 44.72 44.05 2a4g s GLY 31 CO -0.01 -0.82 0.79 0.83 0.00 0.00 0.00 173.10 173.90 2a4g h GLU 32 N 3.73 0.00 -5.08 2.90 3.07 -1.89 -0.08 114.58 117.24 2a4g h GLU 32 Ca -0.48 0.00 -0.65 0.00 -0.50 0.00 0.00 59.36 57.73 2a4g h GLU 32 Cb 1.17 0.00 -0.26 0.00 -0.84 0.00 0.00 28.75 28.82 2a4g h GLU 32 CO 0.65 0.48 -0.71 0.08 -1.40 0.00 0.00 179.01 178.11 2a4g s VAL 33 N -2.71 3.48 -0.18 3.13 1.01 -1.26 -0.95 120.40 122.92 2a4g s VAL 33 Ca -0.03 -0.47 -0.09 0.00 0.00 0.00 0.00 61.98 61.39 2a4g s VAL 33 Cb 0.08 -2.57 -0.05 0.00 0.00 0.00 0.00 36.38 33.85 2a4g s VAL 33 CO 0.82 0.44 0.13 -1.10 0.00 0.00 0.00 175.10 175.39 2a4g s GLN 34 N 1.17 4.00 -0.40 2.72 1.11 -0.24 -4.95 119.66 123.07 2a4g s GLN 34 Ca 0.02 -0.20 -0.21 0.00 0.01 0.00 0.00 55.36 54.99 2a4g s GLN 34 Cb -0.14 -3.36 0.01 0.00 -1.01 0.00 0.00 33.01 28.51 2a4g s GLN 34 CO -0.01 0.42 0.64 0.42 0.01 0.00 0.00 175.29 176.77 2a4g s ILE 35 N 0.01 4.85 0.45 1.08 1.01 -1.26 -1.10 121.20 126.25 2a4g s ILE 35 Ca 0.10 0.30 0.05 0.00 0.00 0.00 0.00 60.65 61.11 2a4g s ILE 35 Cb -0.11 -4.15 -0.04 0.00 0.01 0.00 0.00 42.46 38.17 2a4g s ILE 35 CO -0.00 -0.48 0.13 0.68 0.00 0.00 0.00 174.94 175.26 2a4g s VAL 36 N 2.77 1.86 -0.16 2.92 -7.23 -0.30 -5.01 120.40 115.26 2a4g s VAL 36 Ca 0.23 -1.81 -0.29 0.00 -1.81 0.00 0.00 61.98 58.30 2a4g s VAL 36 Cb -0.14 -2.68 0.09 0.00 0.56 0.00 0.00 36.38 34.21 2a4g s VAL 36 CO 0.17 0.00 0.82 -0.94 -0.31 0.00 0.00 175.10 174.85 2a4g s SER 37 N -3.90 -0.57 0.15 4.85 1.04 -1.26 -1.37 113.70 112.63 2a4g s SER 37 Ca 0.30 0.82 0.01 0.00 0.48 0.00 0.00 55.95 57.57 2a4g s SER 37 Cb 0.04 0.74 0.01 0.00 0.10 0.00 0.00 66.02 66.91 2a4g s SER 37 CO 0.16 -0.39 0.11 0.35 0.98 0.00 0.00 173.24 174.45 2a4g n THR 38 N 1.46 0.00 0.15 2.02 -2.24 0.05 -4.99 114.28 110.74 2a4g n THR 38 Ca -0.15 -0.58 0.00 0.00 -2.27 0.00 0.00 64.05 61.05 2a4g n THR 38 Cb 0.57 -0.39 0.23 0.00 -2.10 0.00 0.00 70.33 68.64 2a4g n THR 38 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2a4g h ALA 39 N 0.72 1.12 0.00 6.98 0.00 -2.02 -3.33 119.26 122.73 2a4g h ALA 39 Ca -0.09 -0.49 -0.01 0.00 0.00 0.00 0.00 54.91 54.32 2a4g h ALA 39 Cb 0.34 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.04 2a4g h ALA 39 CO 0.14 0.67 -0.09 1.15 0.00 0.00 0.00 179.25 181.12 2a4g h THR 40 N 0.00 0.39 -3.52 0.00 2.02 -1.96 -3.50 112.91 106.35 2a4g h THR 40 Ca -0.01 -1.31 -0.20 0.00 0.77 0.00 0.00 66.41 65.67 2a4g h THR 40 Cb 0.95 0.75 -0.05 0.00 -1.74 0.00 0.00 68.15 68.06 2a4g h THR 40 CO 0.07 0.13 -0.17 0.00 0.37 0.00 0.00 175.52 175.92 2a4g n GLN 41 N -4.72 0.65 -3.94 6.66 10.64 -1.25 -5.16 117.38 120.26 2a4g n GLN 41 Ca -0.04 -1.26 -0.16 0.00 -1.83 0.00 0.00 57.00 53.72 2a4g n GLN 41 Cb 0.14 0.76 -0.15 0.00 -0.86 0.00 0.00 30.24 30.13 2a4g n GLN 41 CO 0.00 0.00 0.00 0.99 -1.83 0.00 0.00 177.06 176.22 2a4g s THR 42 N -2.19 0.16 0.00 -0.39 2.01 -1.26 -0.77 115.64 113.19 2a4g s THR 42 Ca 0.09 0.03 0.00 0.00 0.31 0.00 0.00 61.69 62.12 2a4g s THR 42 Cb 0.00 -0.21 0.00 0.00 0.01 0.00 0.00 72.50 72.30 2a4g s THR 42 CO 0.07 0.10 0.00 2.22 -0.69 0.00 0.00 174.62 176.32 2a4g n PHE 43 N 3.71 -0.06 -4.52 4.92 -1.74 -0.47 -4.42 117.46 114.87 2a4g n PHE 43 Ca -0.22 0.00 -0.25 0.00 -0.56 0.00 0.00 57.45 56.42 2a4g n PHE 43 Cb 0.54 0.00 -0.10 0.00 1.52 0.00 0.00 39.48 41.43 2a4g n PHE 43 CO 0.00 0.00 0.00 -0.51 -0.56 0.00 0.00 176.76 175.69 2a4g s LEU 44 N 0.00 2.69 0.02 5.98 1.43 0.01 -1.15 118.68 127.66 2a4g s LEU 44 Ca 0.00 -1.18 0.01 0.00 -1.03 0.00 0.00 54.13 51.92 2a4g s LEU 44 Cb 0.00 -0.96 -0.01 0.00 0.03 0.00 0.00 46.19 45.24 2a4g s LEU 44 CO 0.00 -0.20 -0.03 0.00 0.23 0.00 0.00 176.35 176.34 2a4g s ALA 45 N -2.65 0.22 -0.07 4.21 0.00 -0.26 -4.04 121.76 119.17 2a4g s ALA 45 Ca 0.32 -0.41 0.03 0.00 0.00 0.00 0.00 51.96 51.90 2a4g s ALA 45 Cb 0.02 0.05 0.01 0.00 0.00 0.00 0.00 23.12 23.20 2a4g s ALA 45 CO 0.16 -0.05 -0.14 0.99 0.00 0.00 0.00 175.76 176.72 2a4g s THR 46 N -0.84 1.26 -0.31 0.00 2.01 0.85 -1.07 115.64 117.54 2a4g s THR 46 Ca -0.08 -0.55 -0.22 0.00 0.31 0.00 0.00 61.69 61.15 2a4g s THR 46 Cb -0.06 -1.14 -0.00 0.00 0.01 0.00 0.00 72.50 71.31 2a4g s THR 46 CO -0.00 0.38 0.72 0.00 -0.69 0.00 0.00 174.62 175.02 2a4g s ILE 48 N 2.80 0.58 -1.40 0.00 1.01 0.03 -0.36 121.20 123.86 2a4g s ILE 48 Ca 0.29 -0.12 -0.09 0.00 0.00 0.00 0.00 60.65 60.74 2a4g s ILE 48 Cb -0.14 -0.62 0.03 0.00 0.01 0.00 0.00 42.46 41.74 2a4g s ILE 48 CO 0.12 0.25 1.04 0.59 0.00 0.00 0.00 174.94 176.94 2a4g n ASN 49 N 4.24 -4.71 0.00 3.58 5.03 -1.24 -2.04 115.26 120.12 2a4g n ASN 49 Ca -0.21 -0.67 0.00 0.00 0.87 0.00 0.00 54.58 54.57 2a4g n ASN 49 Cb 0.51 -4.53 0.00 0.00 -1.02 0.00 0.00 39.78 34.74 2a4g n ASN 49 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 2a4g n GLY 50 N -1.75 0.63 3.43 7.41 0.00 -1.26 -4.99 105.19 108.66 2a4g n GLY 50 Ca -0.05 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.65 2a4g n GLY 50 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2a4g s VAL 51 N -2.79 2.77 -0.51 1.61 1.01 -0.87 -1.44 120.40 120.18 2a4g s VAL 51 Ca 0.00 -0.90 -0.18 0.00 0.00 0.00 0.00 61.98 60.90 2a4g s VAL 51 Cb 0.00 -2.07 0.08 0.00 0.00 0.00 0.00 36.38 34.38 2a4g s VAL 51 CO 0.00 0.54 0.56 0.00 0.00 0.00 0.00 175.10 176.20 2a4g s TRP 53 N 2.26 3.48 0.33 0.00 0.52 0.14 -1.48 118.94 124.20 2a4g s TRP 53 Ca 0.10 0.50 -0.18 0.00 0.02 0.00 0.00 56.10 56.54 2a4g s TRP 53 Cb -0.22 -1.97 0.04 0.00 -1.15 0.00 0.00 33.47 30.17 2a4g s TRP 53 CO 0.09 0.40 0.79 -0.08 0.02 0.00 0.00 176.95 178.16 2a4g s THR 54 N -1.75 0.00 0.02 2.01 -1.32 -0.83 -0.10 115.64 113.67 2a4g s THR 54 Ca 0.40 -0.97 -0.30 0.00 -1.21 0.00 0.00 61.69 59.62 2a4g s THR 54 Cb -0.12 -2.53 -0.04 0.00 -1.51 0.00 0.00 72.50 68.30 2a4g s THR 54 CO 0.26 0.00 0.99 0.68 -2.21 0.00 0.00 174.62 174.34 2a4g s VAL 55 N -2.91 4.76 0.53 5.08 -7.23 -1.26 -1.76 120.40 117.60 2a4g s VAL 55 Ca 0.14 2.03 0.18 0.00 -1.81 0.00 0.00 61.98 62.53 2a4g s VAL 55 Cb -0.05 -4.30 0.29 0.00 0.56 0.00 0.00 36.38 32.88 2a4g s VAL 55 CO 0.09 0.19 2.14 0.22 -0.31 0.00 0.00 175.10 177.43 2a4g h TYR 56 N 6.55 0.00 0.00 2.82 3.20 -1.17 -0.39 116.97 127.99 2a4g h TYR 56 Ca -0.41 0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.46 2a4g h TYR 56 Cb 1.22 0.00 0.00 0.00 1.54 0.00 0.00 36.73 39.49 2a4g h TYR 56 CO 0.67 0.00 0.00 -2.39 -1.64 0.00 0.00 178.16 174.80 2a4g n HIS 57 N -4.47 0.00 -0.06 -3.82 1.44 -1.26 0.44 115.22 107.49 2a4g n HIS 57 Ca -0.01 0.00 -0.12 0.00 -2.01 0.00 0.00 57.72 55.57 2a4g n HIS 57 Cb 0.16 -0.17 -0.04 0.00 0.12 0.00 0.00 29.99 30.05 2a4g n HIS 57 CO 0.00 0.00 0.00 0.41 -2.81 0.00 0.00 176.34 173.94 2a4g n GLY 58 N 0.28 -0.19 0.14 -1.39 0.00 -0.22 -4.82 105.19 98.98 2a4g n GLY 58 Ca 0.11 -0.06 -0.21 0.00 0.00 0.00 0.00 46.02 45.86 2a4g n GLY 58 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2a4g h ALA 59 N -0.39 0.29 -0.30 4.61 0.00 -1.37 -3.46 119.26 118.64 2a4g h ALA 59 Ca -0.30 -1.24 0.00 0.00 0.00 0.00 0.00 54.91 53.38 2a4g h ALA 59 Cb 1.28 0.52 0.00 0.00 0.00 0.00 0.00 17.79 19.58 2a4g h ALA 59 CO -0.17 1.16 0.00 0.41 0.00 0.00 0.00 179.25 180.65 2a4g n GLY 60 N 1.87 1.78 0.74 0.00 0.00 0.17 -1.72 105.19 108.03 2a4g n GLY 60 Ca -0.26 -0.45 0.07 0.00 0.00 0.00 0.00 46.02 45.39 2a4g n GLY 60 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2a4g n THR 61 N 0.00 1.52 -1.36 2.61 -2.24 -1.26 -4.83 114.28 108.72 2a4g n THR 61 Ca 0.00 -1.35 -0.36 0.00 -2.27 0.00 0.00 64.05 60.06 2a4g n THR 61 Cb 0.00 0.19 0.07 0.00 -2.10 0.00 0.00 70.33 68.50 2a4g n THR 61 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 2a4g n ARG 62 N 0.10 0.48 -3.66 -0.78 1.74 -0.70 -4.82 116.66 109.02 2a4g n ARG 62 Ca 0.15 0.21 -0.31 0.00 -0.77 0.00 0.00 57.85 57.14 2a4g n ARG 62 Cb 0.62 -2.05 -0.04 0.00 -1.02 0.00 0.00 32.46 29.96 2a4g n ARG 62 CO 0.00 0.00 0.00 -0.08 -1.52 0.00 0.00 177.63 176.03 2a4g s THR 63 N -1.81 5.16 -0.04 0.55 -1.32 -1.26 -4.55 115.64 112.38 2a4g s THR 63 Ca 0.71 -0.02 -0.13 0.00 -1.21 0.00 0.00 61.69 61.04 2a4g s THR 63 Cb -0.36 -3.64 -0.05 0.00 -1.51 0.00 0.00 72.50 66.93 2a4g s THR 63 CO 0.53 -0.01 0.34 -0.51 -2.21 0.00 0.00 174.62 172.76 2a4g s ILE 64 N -1.71 5.15 0.60 5.08 2.07 -0.29 -4.84 121.20 127.27 2a4g s ILE 64 Ca 0.41 0.68 -0.17 0.00 -1.41 0.00 0.00 60.65 60.17 2a4g s ILE 64 Cb -0.12 -3.64 -0.03 0.00 0.13 0.00 0.00 42.46 38.81 2a4g s ILE 64 CO 0.25 0.58 1.10 0.00 -1.91 0.00 0.00 174.94 174.96 2a4g s ALA 65 N -0.97 2.61 0.10 1.50 0.00 -1.26 -0.54 121.76 123.20 2a4g s ALA 65 Ca 0.21 0.59 -0.21 0.00 0.00 0.00 0.00 51.96 52.55 2a4g s ALA 65 Cb -0.15 -3.30 0.05 0.00 0.00 0.00 0.00 23.12 19.72 2a4g s ALA 65 CO 0.11 -0.98 0.53 -1.54 0.00 0.00 0.00 175.76 173.88 2a4g s SER 66 N -2.38 -0.44 0.04 0.00 1.04 -1.13 -4.83 113.70 106.00 2a4g s SER 66 Ca 0.68 0.02 0.04 0.00 0.48 0.00 0.00 55.95 57.16 2a4g s SER 66 Cb -0.20 0.53 0.18 0.00 0.10 0.00 0.00 66.02 66.63 2a4g s SER 66 CO 0.35 -0.83 1.11 -0.81 0.98 0.00 0.00 173.24 174.04 2a4g n PRO 67 N 0.00 0.02 -0.32 4.02 -0.04 -1.26 -1.09 135.00 136.33 2a4g n PRO 67 Ca -0.17 0.50 0.07 0.00 -0.04 0.00 0.00 63.50 63.86 2a4g n PRO 67 Cb 0.63 -1.56 0.21 0.00 -0.04 0.00 0.00 33.50 32.74 2a4g n PRO 67 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 2a4g n LYS 68 N -1.59 2.99 0.00 0.54 5.02 -1.26 -5.08 118.16 118.77 2a4g n LYS 68 Ca 0.00 -2.42 0.00 0.00 -2.02 0.00 0.00 58.31 53.87 2a4g n LYS 68 Cb 0.02 -1.54 0.00 0.00 -0.02 0.00 0.00 35.03 33.49 2a4g n LYS 68 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2a4g n GLY 69 N 0.26 1.22 3.77 0.72 0.00 -0.25 -5.02 105.19 105.89 2a4g n GLY 69 Ca 0.17 -2.11 -0.40 0.00 0.00 0.00 0.00 46.02 43.68 2a4g n GLY 69 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2a4g s PRO 70 N -1.56 4.09 -0.11 1.61 0.04 -1.26 -2.83 135.00 134.98 2a4g s PRO 70 Ca 0.00 2.14 0.03 0.00 0.04 0.00 0.00 61.00 63.21 2a4g s PRO 70 Cb 0.00 -2.84 -0.01 0.00 0.04 0.00 0.00 34.50 31.70 2a4g s PRO 70 CO 0.00 -0.39 -0.20 0.14 0.04 0.00 0.00 177.00 176.59 2a4g s VAL 71 N -1.24 2.43 0.55 -0.36 -7.23 0.29 -4.93 120.40 109.91 2a4g s VAL 71 Ca 0.55 -0.89 -0.18 0.00 -1.81 0.00 0.00 61.98 59.64 2a4g s VAL 71 Cb -0.38 -1.96 -0.06 0.00 0.56 0.00 0.00 36.38 34.55 2a4g s VAL 71 CO 0.49 0.55 1.08 0.27 -0.31 0.00 0.00 175.10 177.18 2a4g s ILE 72 N 0.28 3.52 0.46 -0.62 -4.36 -1.26 -1.14 121.20 118.07 2a4g s ILE 72 Ca -0.14 0.86 -0.25 0.00 -0.26 0.00 0.00 60.65 60.86 2a4g s ILE 72 Cb -0.17 -3.34 -0.08 0.00 1.25 0.00 0.00 42.46 40.13 2a4g s ILE 72 CO 0.07 -0.28 1.38 -1.10 0.24 0.00 0.00 174.94 175.25 2a4g s GLN 73 N -3.54 3.66 0.08 0.37 -0.21 -1.26 -4.59 119.66 114.17 2a4g s GLN 73 Ca 0.68 2.31 0.13 0.00 0.02 0.00 0.00 55.36 58.50 2a4g s GLN 73 Cb -0.19 -2.60 -0.15 0.00 1.00 0.00 0.00 33.01 31.07 2a4g s GLN 73 CO 0.29 -0.80 0.99 0.52 -2.12 0.00 0.00 175.29 174.16 2a4g h MET 74 N 2.25 0.00 -3.68 2.91 2.86 0.20 -3.47 114.93 116.01 2a4g h MET 74 Ca -0.51 0.00 -0.25 0.00 -2.06 0.00 0.00 59.70 56.89 2a4g h MET 74 Cb 1.27 0.00 -0.29 0.00 0.06 0.00 0.00 31.60 32.63 2a4g h MET 74 CO 0.61 0.55 -0.72 0.71 1.06 0.00 0.00 176.91 179.12 2a4g s TYR 75 N -2.78 0.01 -0.04 -0.22 2.02 -0.16 -4.96 117.35 111.21 2a4g s TYR 75 Ca -0.01 0.03 0.01 0.00 -0.37 0.00 0.00 57.07 56.73 2a4g s TYR 75 Cb 0.09 -0.06 0.02 0.00 -0.40 0.00 0.00 41.96 41.61 2a4g s TYR 75 CO 0.81 -0.02 -0.04 0.99 -1.57 0.00 0.00 175.55 175.72 2a4g s THR 76 N 0.26 0.48 -0.41 -0.71 2.01 -1.26 0.34 115.64 116.35 2a4g s THR 76 Ca -0.02 -0.09 0.04 0.00 0.31 0.00 0.00 61.69 61.93 2a4g s THR 76 Cb -0.03 -0.52 0.16 0.00 0.01 0.00 0.00 72.50 72.12 2a4g s THR 76 CO -0.01 0.21 0.40 0.21 -0.69 0.00 0.00 174.62 174.75 2a4g s ASN 77 N 0.96 1.02 0.32 3.53 3.84 0.33 -4.97 114.94 119.99 2a4g s ASN 77 Ca -0.10 -2.20 0.05 0.00 0.21 0.00 0.00 52.86 50.82 2a4g s ASN 77 Cb -0.14 0.32 0.69 0.00 -0.55 0.00 0.00 41.25 41.58 2a4g s ASN 77 CO -0.00 -0.20 1.86 0.58 -2.79 0.00 0.00 177.10 176.55 2a4g h VAL 78 N 4.88 0.89 -0.35 -5.21 2.07 -1.95 -0.39 116.25 116.19 2a4g h VAL 78 Ca 0.13 -0.29 -0.05 0.00 0.82 0.00 0.00 66.70 67.31 2a4g h VAL 78 Cb 1.00 -0.02 -0.01 0.00 -1.52 0.00 0.00 31.29 30.74 2a4g h VAL 78 CO 0.23 0.15 0.01 0.44 0.02 0.00 0.00 177.57 178.43 2a4g h ASP 79 N 0.83 0.60 -0.00 0.57 3.32 -1.95 -2.42 116.42 117.38 2a4g h ASP 79 Ca 0.46 -0.30 0.00 0.00 0.02 0.00 0.00 57.03 57.21 2a4g h ASP 79 Cb 0.58 -0.16 0.00 0.00 0.22 0.00 0.00 39.33 39.97 2a4g h ASP 79 CO -0.22 0.75 -0.00 0.00 -1.72 0.00 0.00 179.24 178.05 2a4g n GLN 80 N -4.52 1.24 -3.35 3.56 6.02 -0.93 -4.89 117.38 114.51 2a4g n GLN 80 Ca -0.02 -0.35 -0.24 0.00 -0.01 0.00 0.00 57.00 56.38 2a4g n GLN 80 Cb 0.26 -1.49 0.05 0.00 1.02 0.00 0.00 30.24 30.08 2a4g n GLN 80 CO 0.00 0.00 0.00 -3.47 -1.01 0.00 0.00 177.06 172.58 2a4g n ASP 81 N -0.57 -5.94 -4.14 1.08 2.03 -0.31 -4.95 116.55 103.75 2a4g n ASP 81 Ca 0.22 -0.44 -0.26 0.00 0.52 0.00 0.00 54.79 54.84 2a4g n ASP 81 Cb 0.20 -4.75 -0.16 0.00 -0.72 0.00 0.00 41.12 35.69 2a4g n ASP 81 CO 0.00 0.00 0.00 -0.22 -1.92 0.00 0.00 177.20 175.06 2a4g s LEU 82 N -6.98 1.94 0.10 -2.67 2.96 -0.31 -0.65 118.68 113.07 2a4g s LEU 82 Ca 0.46 -0.34 0.01 0.00 -0.22 0.00 0.00 54.13 54.04 2a4g s LEU 82 Cb -0.21 -0.94 -0.04 0.00 0.50 0.00 0.00 46.19 45.50 2a4g s LEU 82 CO 0.56 0.17 -0.04 0.68 -1.32 0.00 0.00 176.35 176.40 2a4g s VAL 83 N -0.08 0.53 -0.22 1.68 -7.23 -0.72 0.12 120.40 114.48 2a4g s VAL 83 Ca -0.01 -1.91 -0.18 0.00 -1.81 0.00 0.00 61.98 58.08 2a4g s VAL 83 Cb -0.10 -1.71 0.06 0.00 0.56 0.00 0.00 36.38 35.19 2a4g s VAL 83 CO 0.01 -0.83 0.57 -0.83 -0.31 0.00 0.00 175.10 173.71 2a4g s GLY 84 N -3.03 -0.45 0.32 2.32 0.00 0.15 -1.97 107.32 104.66 2a4g s GLY 84 Ca 0.13 1.75 0.10 0.00 0.00 0.00 0.00 44.72 46.70 2a4g s GLY 84 CO -0.05 1.63 -0.08 -0.98 0.00 0.00 0.00 173.10 173.62 2a4g s TRP 85 N 0.72 2.44 0.38 1.90 0.51 -0.55 0.20 118.94 124.55 2a4g s TRP 85 Ca -0.03 -0.42 -0.27 0.00 -2.12 0.00 0.00 56.10 53.26 2a4g s TRP 85 Cb -0.05 -1.30 -0.09 0.00 -0.81 0.00 0.00 33.47 31.22 2a4g s TRP 85 CO -0.05 0.59 1.30 -1.25 -0.51 0.00 0.00 176.95 177.03 2a4g s PRO 86 N -3.62 4.09 0.14 4.98 0.04 -1.26 -0.30 135.00 139.06 2a4g s PRO 86 Ca 0.32 2.17 -0.35 0.00 0.04 0.00 0.00 61.00 63.19 2a4g s PRO 86 Cb -0.01 -2.85 -0.16 0.00 0.04 0.00 0.00 34.50 31.52 2a4g s PRO 86 CO 0.17 -0.40 1.27 0.00 0.04 0.00 0.00 177.00 178.08 2a4g n ALA 87 N 0.32 -0.68 -1.60 8.56 0.00 -0.52 -4.48 120.51 122.11 2a4g n ALA 87 Ca 0.03 0.48 -0.30 0.00 0.00 0.00 0.00 53.44 53.65 2a4g n ALA 87 Cb 0.43 -2.07 0.20 0.00 0.00 0.00 0.00 19.45 18.00 2a4g n ALA 87 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 2a4g s PRO 88 N 0.07 0.10 0.58 0.00 0.04 -1.26 -4.95 135.00 129.58 2a4g s PRO 88 Ca 0.78 -0.21 -0.15 0.00 0.04 0.00 0.00 61.00 61.47 2a4g s PRO 88 Cb -0.88 -1.76 -0.05 0.00 0.04 0.00 0.00 34.50 31.85 2a4g s PRO 88 CO 0.49 -2.81 1.03 -0.65 0.04 0.00 0.00 177.00 175.10 2a4g s GLN 89 N -5.66 3.55 -0.49 4.56 -0.21 -1.26 -3.58 119.66 116.57 2a4g s GLN 89 Ca 0.72 1.00 0.00 0.00 0.02 0.00 0.00 55.36 57.10 2a4g s GLN 89 Cb -0.07 -2.07 0.00 0.00 1.00 0.00 0.00 33.01 31.87 2a4g s GLN 89 CO 0.54 -0.60 0.00 0.41 -2.12 0.00 0.00 175.29 173.52 2a4g n GLY 90 N -1.63 0.72 3.43 3.09 0.00 -1.26 -5.01 105.19 104.53 2a4g n GLY 90 Ca 0.07 -0.45 -0.22 0.00 0.00 0.00 0.00 46.02 45.42 2a4g n GLY 90 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2a4g s SER 91 N -2.58 3.28 -0.00 1.61 1.04 -1.24 -1.46 113.70 114.35 2a4g s SER 91 Ca 0.00 -1.03 -0.00 0.00 0.48 0.00 0.00 55.95 55.39 2a4g s SER 91 Cb 0.00 -0.25 0.00 0.00 0.10 0.00 0.00 66.02 65.87 2a4g s SER 91 CO 0.00 -0.03 0.01 0.00 0.98 0.00 0.00 173.24 174.20 2a4g s ARG 92 N -3.55 0.01 0.43 4.02 1.70 -0.04 -4.71 118.95 116.81 2a4g s ARG 92 Ca 0.28 0.02 -0.22 0.00 -0.47 0.00 0.00 55.73 55.34 2a4g s ARG 92 Cb -0.03 0.00 -0.10 0.00 -0.57 0.00 0.00 34.95 34.25 2a4g s ARG 92 CO 0.13 -0.00 0.98 -1.12 -1.08 0.00 0.00 175.30 174.21 2a4g s SER 93 N 0.02 6.80 0.14 -2.89 0.01 -1.26 -3.73 113.70 112.79 2a4g s SER 93 Ca -0.00 1.81 -0.06 0.00 1.31 0.00 0.00 55.95 59.01 2a4g s SER 93 Cb -0.00 -2.55 -0.06 0.00 0.21 0.00 0.00 66.02 63.62 2a4g s SER 93 CO -0.00 -0.46 0.39 -0.22 0.41 0.00 0.00 173.24 173.36 2a4g s LEU 94 N -3.08 4.27 -0.11 2.44 2.96 0.51 -4.92 118.68 120.75 2a4g s LEU 94 Ca 0.62 0.63 -0.16 0.00 -0.22 0.00 0.00 54.13 55.00 2a4g s LEU 94 Cb -0.13 -3.30 -0.05 0.00 0.50 0.00 0.00 46.19 43.21 2a4g s LEU 94 CO 0.18 0.06 0.39 -0.89 -1.32 0.00 0.00 176.35 174.76 2a4g s THR 95 N -1.64 5.20 0.66 3.68 2.01 -1.26 -3.68 115.64 120.61 2a4g s THR 95 Ca 0.41 0.77 -0.17 0.00 0.31 0.00 0.00 61.69 63.00 2a4g s THR 95 Cb -0.12 -3.72 -0.00 0.00 0.01 0.00 0.00 72.50 68.67 2a4g s THR 95 CO 0.24 0.41 1.21 -2.84 -0.69 0.00 0.00 174.62 172.95 2a4g s PRO 96 N 0.18 2.60 0.44 4.92 0.02 -1.26 0.69 135.00 142.59 2a4g s PRO 96 Ca 0.22 1.80 -0.23 0.00 0.02 0.00 0.00 61.00 62.81 2a4g s PRO 96 Cb -0.15 -1.88 -0.08 0.00 0.02 0.00 0.00 34.50 32.41 2a4g s PRO 96 CO 0.08 -1.49 1.13 0.00 -0.33 0.00 0.00 177.00 176.39 2a4g n THR 98 N -0.40 0.08 0.42 0.00 -2.24 -1.26 -4.81 114.28 106.07 2a4g n THR 98 Ca 0.07 -0.09 0.08 0.00 -2.27 0.00 0.00 64.05 61.84 2a4g n THR 98 Cb 0.49 1.23 0.12 0.00 -2.10 0.00 0.00 70.33 70.06 2a4g n THR 98 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2a4g n GLY 100 N 0.97 -0.48 3.78 0.00 0.00 -1.26 -4.93 105.19 103.26 2a4g n GLY 100 Ca 0.12 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.81 2a4g n GLY 100 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2a4g s SER 101 N -2.02 5.28 0.00 1.61 0.15 -1.26 -4.95 113.70 112.52 2a4g s SER 101 Ca 0.00 2.00 0.14 0.00 0.70 0.00 0.00 55.95 58.79 2a4g s SER 101 Cb 0.00 -2.55 0.04 0.00 -1.71 0.00 0.00 66.02 61.80 2a4g s SER 101 CO 0.00 -1.51 0.85 -1.20 1.20 0.00 0.00 173.24 172.57 2a4g n SER 102 N -2.22 1.76 -4.40 5.45 7.64 -1.26 -4.79 113.62 115.80 2a4g n SER 102 Ca 0.10 -1.38 -0.45 0.00 1.01 0.00 0.00 58.87 58.16 2a4g n SER 102 Cb 0.52 0.29 -0.03 0.00 -1.01 0.00 0.00 64.21 63.98 2a4g n SER 102 CO 0.00 0.00 0.00 -1.81 -3.01 0.00 0.00 175.04 170.22 2a4g s ASP 103 N -1.51 6.48 0.43 6.43 1.01 -1.26 -0.09 116.67 128.16 2a4g s ASP 103 Ca 0.14 -1.89 0.02 0.00 0.71 0.00 0.00 52.55 51.52 2a4g s ASP 103 Cb 0.12 -2.33 -0.00 0.00 1.01 0.00 0.00 42.92 41.71 2a4g s ASP 103 CO 0.28 -1.01 0.63 -0.76 0.21 0.00 0.00 175.17 174.52 2a4g s LEU 104 N 2.28 3.69 -0.08 1.23 1.02 0.32 -3.50 118.68 123.63 2a4g s LEU 104 Ca 0.22 0.11 -0.03 0.00 0.02 0.00 0.00 54.13 54.45 2a4g s LEU 104 Cb -0.13 -3.01 0.05 0.00 0.02 0.00 0.00 46.19 43.11 2a4g s LEU 104 CO -0.03 -0.68 0.15 -0.31 0.02 0.00 0.00 176.35 175.50 2a4g s TYR 105 N -2.47 -0.15 -0.10 0.29 2.02 0.11 -0.71 117.35 116.34 2a4g s TYR 105 Ca 0.49 0.54 -0.14 0.00 -0.37 0.00 0.00 57.07 57.59 2a4g s TYR 105 Cb -0.10 -0.30 -0.05 0.00 -0.40 0.00 0.00 41.96 41.12 2a4g s TYR 105 CO 0.36 -0.28 0.34 -1.17 -1.57 0.00 0.00 175.55 173.24 2a4g s LEU 106 N 2.28 4.33 -0.24 -1.29 0.20 0.54 0.07 118.68 124.56 2a4g s LEU 106 Ca 0.03 0.69 -0.07 0.00 0.69 0.00 0.00 54.13 55.47 2a4g s LEU 106 Cb -0.12 -2.46 -0.03 0.00 -0.43 0.00 0.00 46.19 43.15 2a4g s LEU 106 CO -0.06 0.18 0.07 -0.69 -0.29 0.00 0.00 176.35 175.56 2a4g s VAL 107 N -0.11 4.39 0.70 1.68 1.01 -1.03 0.26 120.40 127.30 2a4g s VAL 107 Ca 0.20 -0.15 -0.06 0.00 0.00 0.00 0.00 61.98 61.97 2a4g s VAL 107 Cb -0.14 -3.04 0.07 0.00 0.00 0.00 0.00 36.38 33.27 2a4g s VAL 107 CO 0.08 0.35 1.00 0.42 0.00 0.00 0.00 175.10 176.95 2a4g s THR 108 N 1.45 2.29 -1.18 3.92 -4.23 0.42 -4.38 115.64 113.92 2a4g s THR 108 Ca 0.06 -0.33 0.05 0.00 -1.18 0.00 0.00 61.69 60.28 2a4g s THR 108 Cb -0.15 -2.96 0.06 0.00 1.34 0.00 0.00 72.50 70.79 2a4g s THR 108 CO 0.04 0.00 1.09 -2.11 -0.54 0.00 0.00 174.62 173.10 2a4g n ARG 109 N -2.90 0.03 -0.34 3.99 1.85 -1.26 -0.18 116.66 117.85 2a4g n ARG 109 Ca 0.09 0.34 0.07 0.00 -1.00 0.00 0.00 57.85 57.36 2a4g n ARG 109 Cb 0.60 -1.50 0.23 0.00 -1.05 0.00 0.00 32.46 30.74 2a4g n ARG 109 CO 0.00 0.00 0.00 0.72 -0.01 0.00 0.00 177.63 178.34 2a4g n HIS 110 N -1.41 0.80 -1.47 2.89 8.25 -1.26 -4.94 115.22 118.07 2a4g n HIS 110 Ca 0.02 -0.62 -0.11 0.00 -0.26 0.00 0.00 57.72 56.74 2a4g n HIS 110 Cb 0.05 -0.14 -0.04 0.00 1.12 0.00 0.00 29.99 30.98 2a4g n HIS 110 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2a4g n ALA 111 N 0.40 -0.20 -2.00 -1.41 0.00 0.74 -5.00 120.51 113.04 2a4g n ALA 111 Ca 0.17 0.17 -0.35 0.00 0.00 0.00 0.00 53.44 53.44 2a4g n ALA 111 Cb 0.64 -1.37 -0.06 0.00 0.00 0.00 0.00 19.45 18.66 2a4g n ALA 111 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 2a4g s ASP 112 N -2.82 7.02 -0.16 0.00 1.01 -1.25 -4.80 116.67 115.67 2a4g s ASP 112 Ca 0.00 1.51 -0.01 0.00 0.71 0.00 0.00 52.55 54.76 2a4g s ASP 112 Cb 0.00 -2.46 -0.01 0.00 1.01 0.00 0.00 42.92 41.46 2a4g s ASP 112 CO 0.00 -0.12 -0.10 -0.69 0.21 0.00 0.00 175.17 174.47 2a4g s VAL 113 N -1.77 3.19 -0.24 -1.27 1.01 -1.26 -0.44 120.40 119.62 2a4g s VAL 113 Ca 0.50 -0.59 0.01 0.00 0.00 0.00 0.00 61.98 61.90 2a4g s VAL 113 Cb -0.14 -2.38 0.04 0.00 0.00 0.00 0.00 36.38 33.90 2a4g s VAL 113 CO 0.19 0.50 -0.12 -0.63 0.00 0.00 0.00 175.10 175.04 2a4g s ILE 114 N 0.67 2.31 0.25 2.22 1.01 0.14 -4.91 121.20 122.89 2a4g s ILE 114 Ca -0.05 -1.33 -0.30 0.00 0.00 0.00 0.00 60.65 58.97 2a4g s ILE 114 Cb -0.15 -2.22 -0.10 0.00 0.01 0.00 0.00 42.46 40.00 2a4g s ILE 114 CO 0.02 0.16 1.43 -2.84 0.00 0.00 0.00 174.94 173.71 2a4g s PRO 115 N 1.20 4.27 -0.03 2.79 0.02 -1.26 -0.34 135.00 141.65 2a4g s PRO 115 Ca -0.03 2.29 0.01 0.00 0.02 0.00 0.00 61.00 63.28 2a4g s PRO 115 Cb -0.18 -3.11 0.02 0.00 0.02 0.00 0.00 34.50 31.26 2a4g s PRO 115 CO -0.07 -0.40 -0.02 0.08 -0.33 0.00 0.00 177.00 176.26 2a4g s VAL 116 N -0.05 0.31 -0.23 3.83 1.01 0.12 -1.30 120.40 124.09 2a4g s VAL 116 Ca 0.59 0.01 -0.20 0.00 0.00 0.00 0.00 61.98 62.38 2a4g s VAL 116 Cb -0.42 -0.38 -0.02 0.00 0.00 0.00 0.00 36.38 35.56 2a4g s VAL 116 CO 0.43 0.17 0.59 -0.60 0.00 0.00 0.00 175.10 175.70 2a4g s ARG 117 N 0.97 4.15 -0.11 2.72 6.06 0.58 -0.52 118.95 132.80 2a4g s ARG 117 Ca -0.10 0.50 -0.29 0.00 -2.50 0.00 0.00 55.73 53.34 2a4g s ARG 117 Cb -0.14 -3.61 -0.05 0.00 0.06 0.00 0.00 34.95 31.21 2a4g s ARG 117 CO -0.01 -0.29 1.84 0.50 -2.50 0.00 0.00 175.30 174.84 2a4g s ARG 118 N 2.11 3.85 0.00 5.12 3.52 0.87 0.40 118.95 134.82 2a4g s ARG 118 Ca 0.26 2.11 0.23 0.00 -0.13 0.00 0.00 55.73 58.20 2a4g s ARG 118 Cb -0.16 -4.13 0.10 0.00 -1.56 0.00 0.00 34.95 29.21 2a4g s ARG 118 CO 0.09 -1.26 1.13 0.54 -0.81 0.00 0.00 175.30 174.99 2a4g n ARG 119 N 7.73 0.14 0.00 5.12 5.12 0.24 -4.89 116.66 130.12 2a4g n ARG 119 Ca 0.21 -0.10 0.00 0.00 -1.93 0.00 0.00 57.85 56.02 2a4g n ARG 119 Cb 0.43 -1.50 0.00 0.00 -1.16 0.00 0.00 32.46 30.24 2a4g n ARG 119 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 2a4g n GLY 120 N 1.48 0.69 0.11 -0.13 0.00 -0.53 -4.90 105.19 101.91 2a4g n GLY 120 Ca 0.05 -1.01 0.04 0.00 0.00 0.00 0.00 46.02 45.11 2a4g n GLY 120 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2a4g n ASP 121 N 0.00 -0.05 -2.38 1.61 2.03 -1.26 -0.91 116.55 115.59 2a4g n ASP 121 Ca 0.00 0.54 0.01 0.00 0.52 0.00 0.00 54.79 55.86 2a4g n ASP 121 Cb 0.00 -0.19 0.04 0.00 -0.72 0.00 0.00 41.12 40.25 2a4g n ASP 121 CO 0.00 0.00 0.00 -1.54 -1.92 0.00 0.00 177.20 173.74 2a4g n SER 122 N -4.28 1.14 -3.86 1.67 3.41 -1.26 -4.59 113.62 105.85 2a4g n SER 122 Ca 0.07 -2.03 -0.11 0.00 -0.26 0.00 0.00 58.87 56.54 2a4g n SER 122 Cb 0.23 -0.33 -0.10 0.00 -0.26 0.00 0.00 64.21 63.75 2a4g n SER 122 CO 0.00 0.00 0.00 -0.60 -0.16 0.00 0.00 175.04 174.28 2a4g s ARG 123 N -2.33 0.41 -0.03 4.33 6.06 -0.09 -2.08 118.95 125.23 2a4g s ARG 123 Ca 0.27 -0.28 -0.22 0.00 -2.50 0.00 0.00 55.73 53.00 2a4g s ARG 123 Cb 0.34 0.17 0.04 0.00 0.06 0.00 0.00 34.95 35.57 2a4g s ARG 123 CO -0.08 -0.09 0.47 0.20 -2.50 0.00 0.00 175.30 173.30 2a4g s GLY 124 N -1.08 -0.34 -0.21 8.12 0.00 -0.89 -0.59 107.32 112.34 2a4g s GLY 124 Ca -0.12 0.77 -0.07 0.00 0.00 0.00 0.00 44.72 45.31 2a4g s GLY 124 CO 0.01 0.50 0.05 -1.35 0.00 0.00 0.00 173.10 172.31 2a4g s SER 125 N -1.24 5.28 0.33 1.64 1.04 0.16 -0.96 113.70 119.96 2a4g s SER 125 Ca -0.12 -0.08 -0.29 0.00 0.48 0.00 0.00 55.95 55.94 2a4g s SER 125 Cb -0.03 -1.92 -0.12 0.00 0.10 0.00 0.00 66.02 64.06 2a4g s SER 125 CO 0.07 0.09 1.45 0.18 0.98 0.00 0.00 173.24 176.00 2a4g n LEU 126 N 4.12 4.15 0.26 2.42 4.77 -0.23 -0.31 117.00 132.18 2a4g n LEU 126 Ca -0.16 1.19 0.17 0.00 -0.03 0.00 0.00 56.01 57.18 2a4g n LEU 126 Cb 0.52 -1.55 0.64 0.00 -2.33 0.00 0.00 43.42 40.69 2a4g n LEU 126 CO 0.33 -0.09 0.97 -0.07 -1.33 0.00 0.00 177.39 177.20 2a4g h LEU 127 N 3.42 0.00 -6.77 2.23 3.38 -1.52 -3.39 115.31 112.65 2a4g h LEU 127 Ca -0.48 0.00 -0.32 0.00 0.09 0.00 0.00 57.88 57.17 2a4g h LEU 127 Cb 1.25 0.00 -0.36 0.00 0.09 0.00 0.00 40.66 41.65 2a4g h LEU 127 CO 0.69 0.00 -0.63 -0.44 0.09 0.00 0.00 178.44 178.15 2a4g s SER 128 N -5.62 1.38 0.48 -0.43 0.01 -1.26 -5.12 113.70 103.14 2a4g s SER 128 Ca 0.02 -0.23 -0.24 0.00 1.31 0.00 0.00 55.95 56.81 2a4g s SER 128 Cb 0.09 0.38 -0.07 0.00 0.21 0.00 0.00 66.02 66.63 2a4g s SER 128 CO 0.54 -0.33 1.35 -2.65 0.41 0.00 0.00 173.24 172.57 2a4g n PRO 129 N 5.32 1.93 -4.36 12.44 -0.02 -1.26 -5.00 135.00 144.05 2a4g n PRO 129 Ca -0.05 0.70 -0.19 0.00 -2.02 0.00 0.00 63.50 61.93 2a4g n PRO 129 Cb 0.49 -2.54 -0.10 0.00 -0.02 0.00 0.00 33.50 31.33 2a4g n PRO 129 CO 0.00 0.00 0.00 1.03 1.98 0.00 0.00 175.50 178.51 2a4g s ARG 130 N -2.56 1.36 0.57 -0.52 1.81 -0.50 -4.95 118.95 114.15 2a4g s ARG 130 Ca 0.65 -1.59 -0.21 0.00 -1.72 0.00 0.00 55.73 52.87 2a4g s ARG 130 Cb -0.45 -1.20 -0.04 0.00 -0.45 0.00 0.00 34.95 32.81 2a4g s ARG 130 CO 0.54 0.21 1.30 -2.14 -0.68 0.00 0.00 175.30 174.53 2a4g s PRO 131 N -3.53 3.04 0.47 3.54 0.02 -1.26 0.56 135.00 137.84 2a4g s PRO 131 Ca 0.22 2.08 0.18 0.00 0.02 0.00 0.00 61.00 63.50 2a4g s PRO 131 Cb -0.02 -2.12 1.17 0.00 0.02 0.00 0.00 34.50 33.55 2a4g s PRO 131 CO 0.08 -1.22 2.00 0.97 -0.33 0.00 0.00 177.00 178.49 2a4g h ILE 132 N 1.19 0.84 -0.95 2.83 6.09 -1.48 -1.02 117.51 125.02 2a4g h ILE 132 Ca -0.51 -0.08 0.09 0.00 -1.37 0.00 0.00 64.86 62.99 2a4g h ILE 132 Cb 1.30 0.58 -0.07 0.00 0.47 0.00 0.00 36.82 39.11 2a4g h ILE 132 CO 0.56 0.04 0.61 0.77 -3.07 0.00 0.00 178.15 177.06 2a4g h SER 133 N 0.24 0.90 -0.48 2.19 4.64 -1.89 -1.19 113.55 117.96 2a4g h SER 133 Ca 0.25 0.02 0.07 0.00 -0.47 0.00 0.00 61.79 61.66 2a4g h SER 133 Cb 0.67 -0.17 -0.03 0.00 -0.31 0.00 0.00 62.40 62.57 2a4g h SER 133 CO -0.05 0.54 0.32 0.22 -0.87 0.00 0.00 176.83 176.99 2a4g h TYR 134 N 1.00 0.38 0.00 4.77 3.20 -1.53 -1.95 116.97 122.83 2a4g h TYR 134 Ca 0.43 0.01 0.00 0.00 3.14 0.00 0.00 58.73 62.31 2a4g h TYR 134 Cb 0.34 -0.12 0.00 0.00 1.54 0.00 0.00 36.73 38.49 2a4g h TYR 134 CO -0.00 0.20 -1.22 1.28 -1.64 0.00 0.00 178.16 176.78 2a4g n LEU 135 N -4.47 0.61 -4.72 2.82 4.32 -0.55 -4.92 117.00 110.10 2a4g n LEU 135 Ca 0.07 -0.19 -0.43 0.00 -0.02 0.00 0.00 56.01 55.44 2a4g n LEU 135 Cb 0.28 -0.04 -0.03 0.00 -1.62 0.00 0.00 43.42 42.00 2a4g n LEU 135 CO 0.34 0.11 1.27 1.17 -1.22 0.00 0.00 177.39 179.07 2a4g n LYS 136 N -1.84 2.61 -0.54 3.23 4.81 -0.62 -2.20 118.16 123.61 2a4g n LYS 136 Ca 0.01 0.94 0.00 0.00 -0.87 0.00 0.00 58.31 58.39 2a4g n LYS 136 Cb 0.42 -2.74 0.00 0.00 0.02 0.00 0.00 35.03 32.74 2a4g n LYS 136 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 2a4g n GLY 137 N 3.09 0.72 0.47 3.14 0.00 -1.26 -4.88 105.19 106.47 2a4g n GLY 137 Ca 0.13 -0.05 0.06 0.00 0.00 0.00 0.00 46.02 46.16 2a4g n GLY 137 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2a4g n SER 138 N 0.08 2.00 -4.72 1.61 7.64 -0.93 -3.91 113.62 115.39 2a4g n SER 138 Ca 0.00 -1.50 -0.43 0.00 1.01 0.00 0.00 58.87 57.95 2a4g n SER 138 Cb 0.00 -0.01 -0.02 0.00 -1.01 0.00 0.00 64.21 63.17 2a4g n SER 138 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 2a4g n SER 139 N 0.65 3.67 0.00 6.43 7.64 -1.26 -0.93 113.62 129.82 2a4g n SER 139 Ca 0.07 1.12 0.00 0.00 1.01 0.00 0.00 58.87 61.07 2a4g n SER 139 Cb 0.30 -1.55 0.00 0.00 -1.01 0.00 0.00 64.21 61.94 2a4g n SER 139 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2a4g n GLY 140 N 2.66 2.36 3.37 0.23 0.00 -0.03 -0.81 105.19 112.96 2a4g n GLY 140 Ca 0.11 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.84 2a4g n GLY 140 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2a4g n GLY 141 N -0.35 -2.55 3.92 -0.02 0.00 -0.11 -3.59 105.19 102.49 2a4g n GLY 141 Ca 0.00 -1.23 -0.25 0.00 0.00 0.00 0.00 46.02 44.55 2a4g n GLY 141 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2a4g s PRO 142 N -4.31 3.32 -0.34 1.61 0.04 -1.26 -0.71 135.00 133.34 2a4g s PRO 142 Ca 0.65 -0.71 -0.02 0.00 0.04 0.00 0.00 61.00 60.97 2a4g s PRO 142 Cb -0.21 -2.87 0.07 0.00 0.04 0.00 0.00 34.50 31.53 2a4g s PRO 142 CO 0.63 0.49 0.08 -0.51 0.04 0.00 0.00 177.00 177.73 2a4g s LEU 143 N -3.42 4.44 0.29 -3.56 1.02 0.97 -2.48 118.68 115.94 2a4g s LEU 143 Ca 0.34 -1.58 -0.12 0.00 0.02 0.00 0.00 54.13 52.79 2a4g s LEU 143 Cb -0.10 -1.75 -0.08 0.00 0.02 0.00 0.00 46.19 44.28 2a4g s LEU 143 CO 0.28 -0.37 0.66 -0.76 0.02 0.00 0.00 176.35 176.17 2a4g s LEU 144 N 1.20 4.08 0.67 1.79 1.02 0.11 0.42 118.68 127.97 2a4g s LEU 144 Ca 0.01 1.09 0.04 0.00 0.02 0.00 0.00 54.13 55.29 2a4g s LEU 144 Cb -0.21 -3.89 0.11 0.00 0.02 0.00 0.00 46.19 42.23 2a4g s LEU 144 CO -0.02 -0.17 0.92 0.00 0.02 0.00 0.00 176.35 177.09 2a4g h PRO 146 N -0.25 0.00 -0.73 0.00 0.11 -1.91 0.17 132.00 129.38 2a4g h PRO 146 Ca -0.33 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.78 2a4g h PRO 146 Cb 1.27 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.38 2a4g h PRO 146 CO 0.40 0.00 0.00 0.00 -0.21 0.00 0.00 178.00 178.19 2a4g n ALA 147 N -1.75 2.44 -0.99 -0.75 0.00 -1.26 -4.94 120.51 113.26 2a4g n ALA 147 Ca -0.01 -1.33 0.00 0.00 0.00 0.00 0.00 53.44 52.09 2a4g n ALA 147 Cb 0.37 -0.94 0.00 0.00 0.00 0.00 0.00 19.45 18.88 2a4g n ALA 147 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2a4g n GLY 148 N 1.62 0.30 3.87 0.00 0.00 0.58 -5.00 105.19 106.56 2a4g n GLY 148 Ca 0.25 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.96 2a4g n GLY 148 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2a4g s HIS 149 N -1.63 3.44 -0.11 1.61 3.76 -1.26 -4.75 115.29 116.35 2a4g s HIS 149 Ca 0.00 1.05 -0.29 0.00 -0.15 0.00 0.00 55.06 55.66 2a4g s HIS 149 Cb 0.00 -2.43 -0.04 0.00 1.11 0.00 0.00 32.58 31.22 2a4g s HIS 149 CO 0.00 -0.02 1.52 0.00 -0.85 0.00 0.00 174.74 175.39 2a4g s ALA 150 N -2.22 3.60 -0.20 -1.40 0.00 0.22 -1.21 121.76 120.54 2a4g s ALA 150 Ca 0.51 0.72 0.02 0.00 0.00 0.00 0.00 51.96 53.22 2a4g s ALA 150 Cb -0.10 -3.72 -0.21 0.00 0.00 0.00 0.00 23.12 19.09 2a4g s ALA 150 CO 0.27 -1.38 0.02 0.28 0.00 0.00 0.00 175.76 174.95 2a4g n VAL 151 N 5.55 1.56 -3.95 0.00 0.31 0.17 0.12 118.33 122.08 2a4g n VAL 151 Ca 0.16 -0.64 0.01 0.00 -0.01 0.00 0.00 64.34 63.86 2a4g n VAL 151 Cb 0.44 -1.35 0.01 0.00 -0.91 0.00 0.00 33.84 32.03 2a4g n VAL 151 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 2a4g n GLY 152 N 2.08 0.38 3.43 2.92 0.00 -1.03 -1.15 105.19 111.81 2a4g n GLY 152 Ca -0.39 -1.05 -0.34 0.00 0.00 0.00 0.00 46.02 44.24 2a4g n GLY 152 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2a4g s LEU 153 N 0.00 3.08 -0.04 0.99 1.02 0.32 -0.02 118.68 124.03 2a4g s LEU 153 Ca 0.25 -0.23 -0.29 0.00 0.02 0.00 0.00 54.13 53.87 2a4g s LEU 153 Cb -0.01 -1.75 -0.08 0.00 0.02 0.00 0.00 46.19 44.37 2a4g s LEU 153 CO 0.01 0.11 2.06 0.33 0.02 0.00 0.00 176.35 178.88 2a4g n PHE 154 N 3.91 2.35 -0.10 0.29 7.35 0.11 0.01 117.46 131.37 2a4g n PHE 154 Ca -0.18 -0.31 -0.17 0.00 -0.76 0.00 0.00 57.45 56.03 2a4g n PHE 154 Cb 0.52 -2.78 -0.07 0.00 0.35 0.00 0.00 39.48 37.49 2a4g n PHE 154 CO 0.00 0.00 0.00 -2.13 -0.76 0.00 0.00 176.76 173.87 2a4g n ARG 155 N 7.93 0.54 -3.54 -4.13 0.63 0.39 -0.85 116.66 117.63 2a4g n ARG 155 Ca 0.23 0.44 -0.17 0.00 -0.92 0.00 0.00 57.85 57.44 2a4g n ARG 155 Cb 0.42 -1.63 -0.06 0.00 0.45 0.00 0.00 32.46 31.64 2a4g n ARG 155 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 2a4g s ALA 156 N -2.57 -1.79 0.07 5.13 0.00 -1.13 -4.81 121.76 116.65 2a4g s ALA 156 Ca -0.28 1.42 -0.23 0.00 0.00 0.00 0.00 51.96 52.87 2a4g s ALA 156 Cb 0.07 -0.20 -0.06 0.00 0.00 0.00 0.00 23.12 22.92 2a4g s ALA 156 CO 0.45 -0.36 0.70 0.00 0.00 0.00 0.00 175.76 176.55 2a4g s ALA 157 N -1.03 3.45 -0.44 0.00 0.00 -1.26 0.91 121.76 123.39 2a4g s ALA 157 Ca -0.09 0.20 -0.12 0.00 0.00 0.00 0.00 51.96 51.95 2a4g s ALA 157 Cb -0.01 -2.87 0.07 0.00 0.00 0.00 0.00 23.12 20.32 2a4g s ALA 157 CO 0.08 0.20 0.33 0.08 0.00 0.00 0.00 175.76 176.45 2a4g s VAL 158 N -0.53 4.75 0.20 0.00 1.01 0.13 -4.89 120.40 121.08 2a4g s VAL 158 Ca 0.35 -1.21 0.10 0.00 0.00 0.00 0.00 61.98 61.22 2a4g s VAL 158 Cb -0.20 -3.86 -0.04 0.00 0.00 0.00 0.00 36.38 32.27 2a4g s VAL 158 CO 0.22 -0.53 -0.20 0.00 0.00 0.00 0.00 175.10 174.58 2a4g s THR 160 N -2.07 1.75 -1.46 0.00 2.01 -0.64 -4.76 115.64 110.48 2a4g s THR 160 Ca 0.21 -0.81 -0.07 0.00 0.31 0.00 0.00 61.69 61.33 2a4g s THR 160 Cb -0.06 -1.65 0.01 0.00 0.01 0.00 0.00 72.50 70.81 2a4g s THR 160 CO 0.09 0.43 0.92 0.54 -0.69 0.00 0.00 174.62 175.91 2a4g n ARG 161 N 4.70 -6.53 -0.95 4.92 5.12 -1.26 -2.40 116.66 120.27 2a4g n ARG 161 Ca -0.18 0.86 0.00 0.00 -1.93 0.00 0.00 57.85 56.61 2a4g n ARG 161 Cb 0.49 -5.83 0.00 0.00 -1.16 0.00 0.00 32.46 25.96 2a4g n ARG 161 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 2a4g n GLY 162 N -1.79 0.73 3.13 -0.13 0.00 -1.26 -5.02 105.19 100.86 2a4g n GLY 162 Ca -0.05 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.64 2a4g n GLY 162 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2a4g s VAL 163 N -2.86 2.21 -0.01 1.61 0.11 -1.01 -1.18 120.40 119.26 2a4g s VAL 163 Ca 0.00 -1.00 -0.30 0.00 -2.93 0.00 0.00 61.98 57.75 2a4g s VAL 163 Cb 0.00 -1.99 -0.05 0.00 -1.53 0.00 0.00 36.38 32.81 2a4g s VAL 163 CO 0.00 0.44 1.35 0.00 -3.33 0.00 0.00 175.10 173.56 2a4g s ALA 164 N 1.28 3.56 -0.01 1.54 0.00 0.19 -1.62 121.76 126.70 2a4g s ALA 164 Ca 0.03 0.82 0.00 0.00 0.00 0.00 0.00 51.96 52.81 2a4g s ALA 164 Cb -0.14 -3.57 -0.00 0.00 0.00 0.00 0.00 23.12 19.40 2a4g s ALA 164 CO -0.11 -0.86 0.01 1.63 0.00 0.00 0.00 175.76 176.43 2a4g n LYS 165 N 5.29 3.96 -4.01 0.00 5.02 -0.99 -1.41 118.16 126.02 2a4g n LYS 165 Ca 0.12 -0.00 -0.11 0.00 -2.02 0.00 0.00 58.31 56.30 2a4g n LYS 165 Cb 0.44 -0.72 -0.04 0.00 -0.02 0.00 0.00 35.03 34.69 2a4g n LYS 165 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2a4g s ALA 166 N -1.45 0.10 0.04 7.82 0.00 -0.89 -1.07 121.76 126.31 2a4g s ALA 166 Ca 0.00 -1.12 -0.07 0.00 0.00 0.00 0.00 51.96 50.78 2a4g s ALA 166 Cb 0.00 1.06 -0.01 0.00 0.00 0.00 0.00 23.12 24.17 2a4g s ALA 166 CO 0.01 -0.84 0.13 0.14 0.00 0.00 0.00 175.76 175.20 2a4g s VAL 167 N -3.43 0.12 0.03 0.00 -7.23 -0.13 -0.69 120.40 109.07 2a4g s VAL 167 Ca 0.25 -1.00 0.00 0.00 -1.81 0.00 0.00 61.98 59.42 2a4g s VAL 167 Cb -0.01 -0.86 -0.04 0.00 0.56 0.00 0.00 36.38 36.03 2a4g s VAL 167 CO 0.14 -0.55 0.11 -1.81 -0.31 0.00 0.00 175.10 172.68 2a4g s ASP 168 N -2.05 5.81 0.08 4.85 -0.00 0.26 -2.09 116.67 123.52 2a4g s ASP 168 Ca -0.06 0.14 -0.15 0.00 -0.00 0.00 0.00 52.55 52.49 2a4g s ASP 168 Cb -0.02 -1.68 0.03 0.00 -0.00 0.00 0.00 42.92 41.25 2a4g s ASP 168 CO -0.04 0.23 0.34 0.72 -0.00 0.00 0.00 175.17 176.42 2a4g s PHE 169 N -1.31 -0.14 -0.46 4.23 -0.12 -0.88 -0.46 117.98 118.84 2a4g s PHE 169 Ca 0.27 -0.08 -0.17 0.00 -0.05 0.00 0.00 56.93 56.90 2a4g s PHE 169 Cb -0.12 0.16 0.05 0.00 -0.63 0.00 0.00 43.02 42.47 2a4g s PHE 169 CO 0.19 -0.59 0.43 0.42 -0.05 0.00 0.00 175.22 175.62 2a4g s ILE 170 N -3.14 5.14 0.45 -4.49 1.01 0.10 -4.63 121.20 115.64 2a4g s ILE 170 Ca -0.01 -0.72 -0.24 0.00 0.00 0.00 0.00 60.65 59.67 2a4g s ILE 170 Cb 0.01 -4.11 -0.09 0.00 0.01 0.00 0.00 42.46 38.28 2a4g s ILE 170 CO -0.07 -0.54 1.25 -2.65 0.00 0.00 0.00 174.94 172.93 2a4g n PRO 171 N 5.47 1.80 0.06 2.79 -0.02 -1.26 -0.52 135.00 143.32 2a4g n PRO 171 Ca -0.10 0.64 0.20 0.00 -2.02 0.00 0.00 63.50 62.23 2a4g n PRO 171 Cb 0.45 -2.38 0.74 0.00 -0.02 0.00 0.00 33.50 32.29 2a4g n PRO 171 CO 0.00 0.00 0.00 -0.39 1.98 0.00 0.00 175.50 177.09 2a4g h VAL 172 N 1.85 0.54 -0.39 -1.45 -1.51 -1.43 -1.22 116.25 112.64 2a4g h VAL 172 Ca -0.48 0.00 0.08 0.00 -1.23 0.00 0.00 66.70 65.07 2a4g h VAL 172 Cb 1.30 0.71 -0.07 0.00 -2.13 0.00 0.00 31.29 31.10 2a4g h VAL 172 CO 0.59 0.00 -0.08 -0.33 -1.23 0.00 0.00 177.57 176.51 2a4g h GLU 173 N 0.00 0.01 -0.77 5.19 3.07 -1.89 0.10 114.58 120.29 2a4g h GLU 173 Ca 0.21 -0.00 0.14 0.00 -0.50 0.00 0.00 59.36 59.22 2a4g h GLU 173 Cb 0.99 -0.00 -0.09 0.00 -0.84 0.00 0.00 28.75 28.81 2a4g h GLU 173 CO -0.00 0.01 0.33 -0.91 -1.40 0.00 0.00 179.01 177.03 2a4g h ASN 174 N 0.01 0.33 0.01 1.42 4.21 -1.57 0.51 115.58 120.50 2a4g h ASN 174 Ca 0.19 0.11 -0.00 0.00 1.21 0.00 0.00 56.30 57.80 2a4g h ASN 174 Cb 0.28 0.07 0.00 0.00 -1.12 0.00 0.00 38.32 37.55 2a4g h ASN 174 CO -0.39 0.13 -0.00 -0.07 -1.29 0.00 0.00 177.43 175.80 2a4g h LEU 175 N 0.48 -0.01 -1.78 1.61 4.07 -1.21 0.45 115.31 118.93 2a4g h LEU 175 Ca 0.42 -0.23 0.06 0.00 0.08 0.00 0.00 57.88 58.22 2a4g h LEU 175 Cb 0.63 0.00 -0.02 0.00 1.08 0.00 0.00 40.66 42.35 2a4g h LEU 175 CO -0.39 0.23 0.27 -0.33 -1.08 0.00 0.00 178.44 177.13 2a4g h GLU 176 N -0.24 0.26 0.00 1.13 5.08 0.62 -1.36 114.58 120.08 2a4g h GLU 176 Ca -0.00 -0.02 -0.04 0.00 -1.00 0.00 0.00 59.36 58.30 2a4g h GLU 176 Cb 0.24 -0.06 0.00 0.00 0.50 0.00 0.00 28.75 29.43 2a4g h GLU 176 CO 0.00 0.17 -0.16 1.15 -1.00 0.00 0.00 179.01 179.17 2a4g h THR 177 N 0.27 1.60 -0.01 1.13 2.02 0.34 -3.27 112.91 114.99 2a4g h THR 177 Ca 0.18 -1.97 0.00 0.00 0.77 0.00 0.00 66.41 65.39 2a4g h THR 177 Cb 0.35 2.88 -0.00 0.00 -1.74 0.00 0.00 68.15 69.65 2a4g h THR 177 CO -0.04 0.53 0.02 0.74 0.37 0.00 0.00 175.52 177.14 2a4g h THR 178 N -0.64 0.38 0.00 3.16 2.02 0.72 -3.51 112.91 115.05 2a4g h THR 178 Ca -0.02 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.16 2a4g h THR 178 Cb 0.96 0.99 0.00 0.00 -1.74 0.00 0.00 68.15 68.35 2a4g h THR 178 CO 0.03 0.00 0.00 0.23 0.37 0.00 0.00 175.52 176.15