#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2h1u s VAL 17 N 0.00 4.88 -1.07 2.52 1.01 0.20 -4.10 120.40 123.84 2h1u s VAL 17 Ca 0.00 1.26 0.00 0.00 0.00 0.00 0.00 61.98 63.24 2h1u s VAL 17 Cb 0.00 -3.93 0.00 0.00 0.00 0.00 0.00 36.38 32.45 2h1u s VAL 17 CO 0.00 0.43 0.00 0.61 0.00 0.00 0.00 175.10 176.14 2h1u n GLY 18 N 2.36 0.03 3.98 4.51 0.00 -1.25 -1.59 105.19 113.23 2h1u n GLY 18 Ca -0.07 -0.39 -0.25 0.00 0.00 0.00 0.00 46.02 45.32 2h1u n GLY 18 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2h1u s GLY 19 N -2.50 1.76 0.20 -0.02 0.00 -1.26 -4.80 107.32 100.71 2h1u s GLY 19 Ca 0.00 -1.60 0.09 0.00 0.00 0.00 0.00 44.72 43.21 2h1u s GLY 19 CO 0.00 -1.02 -0.17 -0.51 0.00 0.00 0.00 173.10 171.40 2h1u s THR 20 N -3.26 1.91 0.06 0.90 -4.23 0.27 -4.90 115.64 106.39 2h1u s THR 20 Ca 0.67 -2.13 -0.31 0.00 -1.18 0.00 0.00 61.69 58.75 2h1u s THR 20 Cb -0.05 -2.01 -0.07 0.00 1.34 0.00 0.00 72.50 71.70 2h1u s THR 20 CO 0.46 -0.44 1.44 -0.70 -0.54 0.00 0.00 174.62 174.83 2h1u s GLU 21 N -3.27 4.29 0.45 3.99 2.12 -1.26 -0.65 118.70 124.37 2h1u s GLU 21 Ca 0.21 2.07 -0.24 0.00 0.36 0.00 0.00 54.97 57.37 2h1u s GLU 21 Cb -0.04 -3.43 -0.08 0.00 0.26 0.00 0.00 34.13 30.85 2h1u s GLU 21 CO 0.08 -0.54 1.24 0.00 -0.54 0.00 0.00 175.26 175.50 2h1u s ALA 22 N 1.85 3.07 0.50 6.30 0.00 -0.39 -4.84 121.76 128.25 2h1u s ALA 22 Ca 0.66 1.10 -0.23 0.00 0.00 0.00 0.00 51.96 53.48 2h1u s ALA 22 Cb -0.35 -3.44 -0.06 0.00 0.00 0.00 0.00 23.12 19.26 2h1u s ALA 22 CO 0.29 -0.80 1.33 -1.14 0.00 0.00 0.00 175.76 175.44 2h1u s GLN 23 N -2.52 3.43 0.54 0.00 2.00 -1.26 -4.88 119.66 116.98 2h1u s GLN 23 Ca 0.62 2.19 0.32 0.00 -2.00 0.00 0.00 55.36 56.48 2h1u s GLN 23 Cb -0.34 -2.41 1.48 0.00 0.80 0.00 0.00 33.01 32.54 2h1u s GLN 23 CO 0.42 -0.94 1.88 -0.09 -0.50 0.00 0.00 175.29 176.06 2h1u h ARG 24 N 1.85 0.00 -0.10 1.67 2.43 -1.98 -2.24 114.38 116.01 2h1u h ARG 24 Ca -0.50 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 58.67 2h1u h ARG 24 Cb 1.28 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.83 2h1u h ARG 24 CO 0.59 0.00 0.00 0.27 -1.51 0.00 0.00 179.97 179.32 2h1u n ASN 25 N -4.21 2.56 0.02 -3.80 0.23 -1.26 -4.70 115.26 104.11 2h1u n ASN 25 Ca 0.18 -2.53 -0.16 0.00 -0.53 0.00 0.00 54.58 51.55 2h1u n ASN 25 Cb 0.96 -0.27 -0.05 0.00 -2.08 0.00 0.00 39.78 38.34 2h1u n ASN 25 CO 0.00 0.00 0.00 0.28 -0.93 0.00 0.00 177.26 176.61 2h1u h SER 26 N 0.61 0.78 -2.10 0.53 0.02 -1.74 -3.40 113.55 108.25 2h1u h SER 26 Ca 0.00 -0.54 -0.55 0.00 -0.84 0.00 0.00 61.79 59.85 2h1u h SER 26 Cb 0.85 -0.23 -0.41 0.00 0.14 0.00 0.00 62.40 62.75 2h1u h SER 26 CO 0.04 1.33 -0.92 0.79 -1.14 0.00 0.00 176.83 176.93 2h1u n TRP 27 N -3.87 1.62 0.55 3.45 7.02 -1.26 -4.96 117.44 119.99 2h1u n TRP 27 Ca -0.07 -3.86 0.07 0.00 -1.02 0.00 0.00 57.50 52.62 2h1u n TRP 27 Cb 0.77 -0.45 0.31 0.00 -2.42 0.00 0.00 31.31 29.53 2h1u n TRP 27 CO 0.00 0.00 0.00 -0.35 -2.02 0.00 0.00 177.69 175.32 2h1u n PRO 28 N 0.64 0.09 0.00 -0.99 -0.04 -1.26 -1.63 135.00 131.81 2h1u n PRO 28 Ca 0.26 0.22 0.12 0.00 -0.04 0.00 0.00 63.50 64.06 2h1u n PRO 28 Cb 0.51 -1.50 0.28 0.00 -0.04 0.00 0.00 33.50 32.75 2h1u n PRO 28 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 2h1u n SER 29 N -1.40 0.71 -4.72 3.54 3.41 -1.22 -1.66 113.62 112.28 2h1u n SER 29 Ca 0.05 -0.51 -0.42 0.00 -0.26 0.00 0.00 58.87 57.73 2h1u n SER 29 Cb 0.13 0.23 -0.03 0.00 -0.26 0.00 0.00 64.21 64.29 2h1u n SER 29 CO 0.00 0.00 0.00 -1.58 -0.16 0.00 0.00 175.04 173.30 2h1u s GLN 30 N -2.82 4.37 0.28 4.33 2.00 -0.64 -0.53 119.66 126.64 2h1u s GLN 30 Ca 0.16 1.98 0.11 0.00 -2.00 0.00 0.00 55.36 55.61 2h1u s GLN 30 Cb 0.18 -3.26 -0.05 0.00 0.80 0.00 0.00 33.01 30.67 2h1u s GLN 30 CO 0.64 -0.35 -0.17 0.96 -0.50 0.00 0.00 175.29 175.87 2h1u s ILE 31 N 0.89 2.32 -0.25 -2.34 -5.25 -0.64 -4.52 121.20 111.41 2h1u s ILE 31 Ca 0.61 -2.35 -0.08 0.00 -0.99 0.00 0.00 60.65 57.85 2h1u s ILE 31 Cb -0.35 -2.32 -0.03 0.00 2.95 0.00 0.00 42.46 42.71 2h1u s ILE 31 CO 0.31 -0.40 0.08 -0.55 -1.79 0.00 0.00 174.94 172.60 2h1u s SER 32 N -3.50 5.29 -0.23 4.36 0.15 -0.66 -2.54 113.70 116.58 2h1u s SER 32 Ca 0.29 -0.15 -0.14 0.00 0.70 0.00 0.00 55.95 56.65 2h1u s SER 32 Cb -0.03 -1.95 -0.04 0.00 -1.71 0.00 0.00 66.02 62.29 2h1u s SER 32 CO 0.14 -0.01 0.31 -0.22 1.20 0.00 0.00 173.24 174.65 2h1u s LEU 33 N 1.50 4.12 0.14 3.45 2.96 0.46 -1.14 118.68 130.17 2h1u s LEU 33 Ca 0.06 0.33 0.07 0.00 -0.22 0.00 0.00 54.13 54.37 2h1u s LEU 33 Cb -0.15 -2.35 -0.04 0.00 0.50 0.00 0.00 46.19 44.15 2h1u s LEU 33 CO 0.04 -0.04 -0.16 -1.10 -1.32 0.00 0.00 176.35 173.77 2h1u s GLN 34 N 1.35 1.15 0.18 1.98 -0.21 -0.33 -0.82 119.66 122.96 2h1u s GLN 34 Ca 0.14 -1.32 0.09 0.00 0.02 0.00 0.00 55.36 54.29 2h1u s GLN 34 Cb -0.14 -1.14 -0.04 0.00 1.00 0.00 0.00 33.01 32.68 2h1u s GLN 34 CO 0.07 0.23 -0.20 1.52 -2.12 0.00 0.00 175.29 174.79 2h1u s TYR 35 N -2.05 1.98 0.08 0.91 -0.85 0.20 -1.00 117.35 116.62 2h1u s TYR 35 Ca 0.12 -0.43 -0.30 0.00 -0.52 0.00 0.00 57.07 55.94 2h1u s TYR 35 Cb -0.05 -0.98 -0.06 0.00 0.38 0.00 0.00 41.96 41.25 2h1u s TYR 35 CO 0.05 0.40 1.12 0.50 -1.52 0.00 0.00 175.55 176.10 2h1u s ARG 36 N -2.81 4.51 -0.29 -3.49 3.00 -0.47 -0.62 118.95 118.78 2h1u s ARG 36 Ca 0.18 1.67 -0.04 0.00 -1.00 0.00 0.00 55.73 56.54 2h1u s ARG 36 Cb -0.06 -3.35 0.10 0.00 0.00 0.00 0.00 34.95 31.63 2h1u s ARG 36 CO 0.08 -0.11 0.13 0.45 0.00 0.00 0.00 175.30 175.85 2h1u s SER 36 N 0.69 3.55 1.90 -2.12 0.15 0.11 -4.80 113.70 113.18 2h1u s SER 36 Ca 0.54 -1.30 0.00 0.00 0.70 0.00 0.00 55.95 55.89 2h1u s SER 36 Cb -0.27 -0.40 0.00 0.00 -1.71 0.00 0.00 66.02 63.64 2h1u s SER 36 CO 0.31 -0.43 0.00 0.61 1.20 0.00 0.00 173.24 174.92 2h1u n GLY 36 N 5.21 3.66 0.95 9.45 0.00 -1.26 -1.30 105.19 121.90 2h1u n GLY 36 Ca -0.06 -0.05 0.05 0.00 0.00 0.00 0.00 46.02 45.96 2h1u n GLY 36 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2h1u n SER 36 N 6.79 2.73 -0.66 1.61 3.41 -1.26 -4.94 113.62 121.30 2h1u n SER 36 Ca 0.00 -2.20 0.00 0.00 -0.26 0.00 0.00 58.87 56.41 2h1u n SER 36 Cb 0.00 -0.40 0.00 0.00 -0.26 0.00 0.00 64.21 63.55 2h1u n SER 36 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 2h1u n SER 37 N 0.55 0.00 -4.15 4.04 3.41 -0.42 -5.17 113.62 111.88 2h1u n SER 37 Ca 0.14 -0.66 -0.22 0.00 -0.26 0.00 0.00 58.87 57.87 2h1u n SER 37 Cb 0.51 0.00 -0.14 0.00 -0.26 0.00 0.00 64.21 64.32 2h1u n SER 37 CO 0.00 0.00 0.00 0.26 -0.16 0.00 0.00 175.04 175.14 2h1u s TRP 38 N -3.12 1.36 -0.07 7.33 0.52 -1.26 0.10 118.94 123.80 2h1u s TRP 38 Ca 0.00 -0.32 0.04 0.00 0.02 0.00 0.00 56.10 55.84 2h1u s TRP 38 Cb 0.00 -0.83 0.00 0.00 -1.15 0.00 0.00 33.47 31.49 2h1u s TRP 38 CO 0.00 0.02 -0.19 0.00 0.02 0.00 0.00 176.95 176.80 2h1u s ALA 39 N -0.64 1.78 0.20 0.98 0.00 0.20 -4.90 121.76 119.39 2h1u s ALA 39 Ca 0.04 -0.77 -0.31 0.00 0.00 0.00 0.00 51.96 50.92 2h1u s ALA 39 Cb -0.07 -0.65 -0.10 0.00 0.00 0.00 0.00 23.12 22.30 2h1u s ALA 39 CO 0.01 0.26 1.51 -1.58 0.00 0.00 0.00 175.76 175.96 2h1u s HIS 40 N 0.27 3.03 0.00 0.00 2.46 -1.26 -0.62 115.29 119.17 2h1u s HIS 40 Ca -0.12 0.81 0.00 0.00 0.47 0.00 0.00 55.06 56.22 2h1u s HIS 40 Cb -0.15 -3.88 0.00 0.00 -0.13 0.00 0.00 32.58 28.41 2h1u s HIS 40 CO 0.05 -3.09 0.00 -2.37 -2.47 0.00 0.00 174.74 166.86 2h1u n THR 41 N 3.21 0.00 -3.73 0.89 5.66 -0.00 -4.92 114.28 115.38 2h1u n THR 41 Ca 0.11 0.00 -0.10 0.00 -3.05 0.00 0.00 64.05 61.01 2h1u n THR 41 Cb 0.39 -0.85 -0.04 0.00 -1.55 0.00 0.00 70.33 68.28 2h1u n THR 41 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 2h1u s GLY 43 N -2.86 1.73 0.20 0.00 0.00 0.69 -0.40 107.32 106.67 2h1u s GLY 43 Ca 0.08 -2.06 -0.23 0.00 0.00 0.00 0.00 44.72 42.52 2h1u s GLY 43 CO -0.05 -1.55 0.98 -0.32 0.00 0.00 0.00 173.10 172.15 2h1u s GLY 44 N -4.70 0.00 -0.11 0.20 0.00 -1.05 -3.30 107.32 98.36 2h1u s GLY 44 Ca 0.63 -0.20 0.03 0.00 0.00 0.00 0.00 44.72 45.18 2h1u s GLY 44 CO 0.41 1.12 -0.19 -1.59 0.00 0.00 0.00 173.10 172.84 2h1u s THR 45 N -2.65 1.77 -0.14 0.90 2.01 0.57 -1.63 115.64 116.48 2h1u s THR 45 Ca 0.17 -0.83 -0.29 0.00 0.31 0.00 0.00 61.69 61.05 2h1u s THR 45 Cb -0.02 -1.57 -0.02 0.00 0.01 0.00 0.00 72.50 70.90 2h1u s THR 45 CO 0.05 0.50 1.28 -0.22 -0.69 0.00 0.00 174.62 175.54 2h1u s LEU 46 N 0.66 4.21 -0.01 4.42 2.96 0.31 -0.59 118.68 130.64 2h1u s LEU 46 Ca -0.13 1.75 0.05 0.00 -0.22 0.00 0.00 54.13 55.59 2h1u s LEU 46 Cb -0.16 -3.54 -0.08 0.00 0.50 0.00 0.00 46.19 42.91 2h1u s LEU 46 CO 0.03 -0.75 0.11 2.30 -1.32 0.00 0.00 176.35 176.72 2h1u n ILE 47 N 5.26 0.01 -4.24 6.68 -5.35 -0.20 0.19 119.36 121.71 2h1u n ILE 47 Ca 0.14 -0.12 -0.13 0.00 -0.27 0.00 0.00 62.75 62.36 2h1u n ILE 47 Cb 0.45 0.34 -0.10 0.00 -1.74 0.00 0.00 39.64 38.59 2h1u n ILE 47 CO 0.00 0.00 0.00 -0.13 -1.76 0.00 0.00 176.55 174.66 2h1u s ARG 48 N -2.35 1.20 0.60 6.28 1.81 -0.92 -4.73 118.95 120.85 2h1u s ARG 48 Ca -0.02 -1.62 0.31 0.00 -1.72 0.00 0.00 55.73 52.68 2h1u s ARG 48 Cb 0.03 -0.03 1.85 0.00 -0.45 0.00 0.00 34.95 36.36 2h1u s ARG 48 CO 0.21 -0.28 2.24 1.96 -0.68 0.00 0.00 175.30 178.75 2h1u h GLN 49 N 2.60 0.00 0.00 3.54 4.20 -1.95 -2.55 115.11 120.95 2h1u h GLN 49 Ca -0.37 0.00 -0.00 0.00 0.06 0.00 0.00 58.65 58.34 2h1u h GLN 49 Cb 1.23 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 29.00 2h1u h GLN 49 CO 0.59 0.00 -0.15 0.27 -0.67 0.00 0.00 178.83 178.87 2h1u n ASN 50 N -3.76 1.86 -3.90 1.46 6.94 -1.26 -1.51 115.26 115.09 2h1u n ASN 50 Ca -0.02 -2.95 -0.16 0.00 -0.02 0.00 0.00 54.58 51.42 2h1u n ASN 50 Cb 0.12 -0.40 -0.15 0.00 -2.36 0.00 0.00 39.78 36.99 2h1u n ASN 50 CO 0.00 0.00 0.00 0.26 -1.03 0.00 0.00 177.26 176.49 2h1u s TRP 51 N -2.36 0.41 -0.07 -2.53 0.52 -0.96 -0.54 118.94 113.41 2h1u s TRP 51 Ca 0.27 -0.07 0.04 0.00 0.02 0.00 0.00 56.10 56.36 2h1u s TRP 51 Cb 0.24 -0.35 -0.01 0.00 -1.15 0.00 0.00 33.47 32.20 2h1u s TRP 51 CO 0.01 -0.06 -0.21 0.08 0.02 0.00 0.00 176.95 176.79 2h1u s VAL 52 N 0.33 2.44 -0.20 4.03 1.01 -0.45 -1.04 120.40 126.52 2h1u s VAL 52 Ca -0.03 -0.92 -0.13 0.00 0.00 0.00 0.00 61.98 60.89 2h1u s VAL 52 Cb -0.07 -1.93 -0.05 0.00 0.00 0.00 0.00 36.38 34.34 2h1u s VAL 52 CO -0.01 0.57 0.26 -0.32 0.00 0.00 0.00 175.10 175.60 2h1u s MET 53 N -0.16 4.18 0.09 2.72 1.75 0.24 -0.36 119.30 127.76 2h1u s MET 53 Ca -0.03 -0.02 0.01 0.00 -1.25 0.00 0.00 55.69 54.40 2h1u s MET 53 Cb -0.14 -3.48 -0.00 0.00 2.84 0.00 0.00 34.83 34.05 2h1u s MET 53 CO 0.04 0.14 0.09 -2.37 -0.65 0.00 0.00 175.02 172.27 2h1u n THR 54 N 3.91 0.00 -3.27 10.11 5.66 -0.34 -0.32 114.28 130.03 2h1u n THR 54 Ca -0.12 -0.59 -0.39 0.00 -3.05 0.00 0.00 64.05 59.90 2h1u n THR 54 Cb 0.52 0.31 -0.06 0.00 -1.55 0.00 0.00 70.33 69.55 2h1u n THR 54 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 2h1u s ALA 55 N -2.20 3.59 0.28 1.79 0.00 -1.26 -1.00 121.76 122.96 2h1u s ALA 55 Ca 0.10 0.04 0.01 0.00 0.00 0.00 0.00 51.96 52.10 2h1u s ALA 55 Cb 0.00 -2.64 0.55 0.00 0.00 0.00 0.00 23.12 21.03 2h1u s ALA 55 CO 0.07 0.40 1.82 0.00 0.00 0.00 0.00 175.76 178.05 2h1u h ALA 56 N 4.51 1.48 0.00 0.00 0.00 -1.69 -1.98 119.26 121.59 2h1u h ALA 56 Ca -0.50 0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.44 2h1u h ALA 56 Cb 1.21 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.82 2h1u h ALA 56 CO 0.63 0.18 0.00 1.12 0.00 0.00 0.00 179.25 181.18 2h1u h HIS 57 N 0.94 0.00 0.00 0.00 2.07 -1.92 -1.69 115.15 114.55 2h1u h HIS 57 Ca 0.49 0.00 -0.04 0.00 -2.85 0.00 0.00 60.37 57.97 2h1u h HIS 57 Cb 0.52 0.00 -0.01 0.00 2.57 0.00 0.00 27.41 30.49 2h1u h HIS 57 CO -0.01 0.00 -0.20 0.00 -3.07 0.00 0.00 177.93 174.65 2h1u n VAL 59 N -3.36 2.08 -0.17 0.00 0.24 -0.64 -4.58 118.33 111.91 2h1u n VAL 59 Ca 0.00 -2.29 -0.06 0.00 -2.04 0.00 0.00 64.34 59.95 2h1u n VAL 59 Cb 0.42 -0.25 0.11 0.00 -1.47 0.00 0.00 33.84 32.64 2h1u n VAL 59 CO 0.00 0.00 0.00 0.44 -2.14 0.00 0.00 176.83 175.13 2h1u h ASP 60 N 0.68 0.90 -4.00 -1.34 3.32 -1.53 -3.44 116.42 111.00 2h1u h ASP 60 Ca 0.02 -0.22 -0.46 0.00 0.02 0.00 0.00 57.03 56.39 2h1u h ASP 60 Cb 1.18 -0.24 -0.00 0.00 0.22 0.00 0.00 39.33 40.49 2h1u h ASP 60 CO 0.09 0.93 0.37 -0.13 -1.72 0.00 0.00 179.24 178.78 2h1u s ARG 61 N -5.08 4.21 -0.36 3.56 3.00 -1.26 -4.92 118.95 118.09 2h1u s ARG 61 Ca -0.11 1.31 -0.06 0.00 0.00 0.00 0.00 55.73 56.87 2h1u s ARG 61 Cb 0.15 -2.38 -0.18 0.00 0.00 0.00 0.00 34.95 32.54 2h1u s ARG 61 CO 0.83 -0.07 3.35 0.39 0.00 0.00 0.00 175.30 179.80 2h1u n GLU 62 N -0.31 2.41 -2.81 3.54 -0.58 -1.26 -4.93 120.64 116.70 2h1u n GLU 62 Ca 0.06 -1.48 -0.21 0.00 -0.42 0.00 0.00 57.16 55.10 2h1u n GLU 62 Cb 0.52 -2.16 0.03 0.00 -0.57 0.00 0.00 31.44 29.25 2h1u n GLU 62 CO 0.00 0.00 0.00 -0.51 -0.48 0.00 0.00 177.13 176.14 2h1u s LEU 63 N -0.41 3.44 -0.27 -4.62 1.43 -1.26 -5.07 118.68 111.93 2h1u s LEU 63 Ca 0.66 0.03 -0.20 0.00 -1.03 0.00 0.00 54.13 53.58 2h1u s LEU 63 Cb 0.31 -2.93 -0.02 0.00 0.03 0.00 0.00 46.19 43.58 2h1u s LEU 63 CO -0.05 -0.95 0.61 -0.89 0.23 0.00 0.00 176.35 175.30 2h1u s THR 64 N -2.64 4.98 0.05 5.49 2.01 -1.26 -5.02 115.64 119.25 2h1u s THR 64 Ca 0.54 1.02 0.04 0.00 0.31 0.00 0.00 61.69 63.60 2h1u s THR 64 Cb -0.10 -3.94 -0.04 0.00 0.01 0.00 0.00 72.50 68.44 2h1u s THR 64 CO 0.37 -0.01 -0.03 -0.36 -0.69 0.00 0.00 174.62 173.90 2h1u s PHE 65 N 2.50 2.94 0.16 4.92 0.40 -1.26 -1.37 117.98 126.27 2h1u s PHE 65 Ca 0.25 -0.03 0.05 0.00 -0.60 0.00 0.00 56.93 56.60 2h1u s PHE 65 Cb -0.15 -1.57 -0.04 0.00 0.51 0.00 0.00 43.02 41.76 2h1u s PHE 65 CO 0.09 0.44 -0.09 -0.98 0.70 0.00 0.00 175.22 175.38 2h1u s ARG 65 N -1.88 1.09 -0.07 0.44 1.70 -0.17 -3.16 118.95 116.90 2h1u s ARG 65 Ca 0.21 -1.48 0.02 0.00 -0.47 0.00 0.00 55.73 54.02 2h1u s ARG 65 Cb -0.11 -0.64 -0.03 0.00 -0.57 0.00 0.00 34.95 33.60 2h1u s ARG 65 CO 0.13 0.06 -0.11 0.08 -1.08 0.00 0.00 175.30 174.39 2h1u s VAL 66 N -3.32 3.38 -0.18 4.99 1.01 0.11 -1.19 120.40 125.19 2h1u s VAL 66 Ca 0.18 -0.60 -0.00 0.00 0.00 0.00 0.00 61.98 61.56 2h1u s VAL 66 Cb 0.03 -2.36 0.01 0.00 0.00 0.00 0.00 36.38 34.05 2h1u s VAL 66 CO 0.01 0.59 -0.16 -0.69 0.00 0.00 0.00 175.10 174.86 2h1u s VAL 67 N -0.65 2.49 0.26 2.92 1.01 -0.29 -1.48 120.40 124.66 2h1u s VAL 67 Ca 0.10 -0.81 0.08 0.00 0.00 0.00 0.00 61.98 61.35 2h1u s VAL 67 Cb -0.11 -2.07 -0.04 0.00 0.00 0.00 0.00 36.38 34.16 2h1u s VAL 67 CO 0.01 0.51 0.16 0.68 0.00 0.00 0.00 175.10 176.46 2h1u s VAL 68 N 1.20 4.15 -1.61 2.92 -7.23 -0.66 -1.65 120.40 117.52 2h1u s VAL 68 Ca 0.02 -1.51 0.00 0.00 -1.81 0.00 0.00 61.98 58.68 2h1u s VAL 68 Cb -0.14 -3.27 0.00 0.00 0.56 0.00 0.00 36.38 33.53 2h1u s VAL 68 CO -0.07 -0.34 0.00 0.61 -0.31 0.00 0.00 175.10 174.99 2h1u n GLY 69 N -1.14 -0.05 3.86 2.32 0.00 -1.24 -1.07 105.19 107.88 2h1u n GLY 69 Ca -0.07 -0.13 -0.34 0.00 0.00 0.00 0.00 46.02 45.48 2h1u n GLY 69 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2h1u s GLU 70 N -4.69 3.88 0.08 1.61 2.56 -1.26 -3.21 118.70 117.67 2h1u s GLU 70 Ca 0.00 0.36 0.00 0.00 0.00 0.00 0.00 54.97 55.33 2h1u s GLU 70 Cb 0.00 -2.85 0.00 0.00 2.00 0.00 0.00 34.13 33.28 2h1u s GLU 70 CO 0.00 0.44 0.00 1.58 -0.56 0.00 0.00 175.26 176.72 2h1u n HIS 71 N 0.51 -0.62 -3.93 5.30 -0.00 -1.26 -4.94 115.22 110.28 2h1u n HIS 71 Ca -0.04 0.11 -0.35 0.00 -0.00 0.00 0.00 57.72 57.44 2h1u n HIS 71 Cb 0.52 0.34 -0.14 0.00 -0.00 0.00 0.00 29.99 30.71 2h1u n HIS 71 CO 0.00 0.00 0.00 1.21 -0.00 0.00 0.00 176.34 177.55 2h1u s ASN 72 N -5.14 4.28 0.44 0.26 3.84 -1.26 -1.13 114.94 116.24 2h1u s ASN 72 Ca 0.00 -0.66 0.31 0.00 0.21 0.00 0.00 52.86 52.72 2h1u s ASN 72 Cb 0.00 -1.70 1.36 0.00 -0.55 0.00 0.00 41.25 40.36 2h1u s ASN 72 CO 0.00 -0.08 1.91 -0.07 -2.79 0.00 0.00 177.10 176.07 2h1u h LEU 73 N 8.07 0.00 -2.10 3.21 3.38 -1.18 -3.07 115.31 123.62 2h1u h LEU 73 Ca -0.37 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.60 2h1u h LEU 73 Cb 1.13 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.88 2h1u h LEU 73 CO 0.59 0.00 0.00 0.59 0.09 0.00 0.00 178.44 179.71 2h1u n ASN 74 N -2.72 2.46 -3.90 -0.43 3.02 -1.26 -5.00 115.26 107.44 2h1u n ASN 74 Ca 0.00 -1.73 -0.11 0.00 -0.03 0.00 0.00 54.58 52.72 2h1u n ASN 74 Cb 0.22 -0.11 -0.10 0.00 -0.61 0.00 0.00 39.78 39.18 2h1u n ASN 74 CO 0.00 0.00 0.00 -1.10 -2.62 0.00 0.00 177.26 173.54 2h1u s GLN 75 N -1.01 0.40 -0.04 3.52 -1.52 -1.16 -5.12 119.66 114.72 2h1u s GLN 75 Ca 0.19 -0.42 -0.30 0.00 -1.95 0.00 0.00 55.36 52.88 2h1u s GLN 75 Cb 0.12 0.16 -0.05 0.00 -0.22 0.00 0.00 33.01 33.01 2h1u s GLN 75 CO 0.16 -0.09 1.51 1.21 -0.25 0.00 0.00 175.29 177.84 2h1u s ASN 76 N -1.29 6.76 0.01 5.90 2.47 -1.26 -4.61 114.94 122.93 2h1u s ASN 76 Ca -0.14 2.14 0.22 0.00 0.42 0.00 0.00 52.86 55.50 2h1u s ASN 76 Cb -0.08 -2.55 -0.10 0.00 -1.45 0.00 0.00 41.25 37.08 2h1u s ASN 76 CO 0.01 -0.83 0.90 0.59 -3.72 0.00 0.00 177.10 174.05 2h1u n ASN 77 N 6.28 0.63 -0.09 -4.21 3.02 -1.26 -4.97 115.26 114.66 2h1u n ASN 77 Ca 0.15 -0.45 -0.01 0.00 -0.03 0.00 0.00 54.58 54.24 2h1u n ASN 77 Cb 0.43 1.06 -0.00 0.00 -0.61 0.00 0.00 39.78 40.66 2h1u n ASN 77 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2h1u n GLY 78 N 1.40 0.50 0.00 7.41 0.00 -1.26 -4.85 105.19 108.38 2h1u n GLY 78 Ca 0.02 -0.33 0.00 0.00 0.00 0.00 0.00 46.02 45.71 2h1u n GLY 78 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2h1u n THR 79 N -2.87 0.00 -2.35 2.61 -2.24 -1.26 -5.10 114.28 103.08 2h1u n THR 79 Ca -0.01 -0.21 -0.37 0.00 -2.27 0.00 0.00 64.05 61.18 2h1u n THR 79 Cb 0.09 1.12 -0.02 0.00 -2.10 0.00 0.00 70.33 69.42 2h1u n THR 79 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 2h1u s GLU 80 N -0.34 3.95 -0.04 -0.78 8.01 -1.20 -4.49 118.70 123.82 2h1u s GLU 80 Ca 0.00 1.72 0.05 0.00 0.01 0.00 0.00 54.97 56.75 2h1u s GLU 80 Cb 0.00 -2.51 -0.01 0.00 -4.31 0.00 0.00 34.13 27.30 2h1u s GLU 80 CO 0.00 -0.38 -0.19 -0.65 0.01 0.00 0.00 175.26 174.05 2h1u s GLN 81 N -2.54 1.87 -0.12 1.61 -0.21 -0.23 -4.99 119.66 115.06 2h1u s GLN 81 Ca 0.60 -0.68 -0.00 0.00 0.02 0.00 0.00 55.36 55.30 2h1u s GLN 81 Cb -0.27 -1.65 -0.02 0.00 1.00 0.00 0.00 33.01 32.07 2h1u s GLN 81 CO 0.34 0.30 -0.11 0.71 -2.12 0.00 0.00 175.29 174.41 2h1u s TYR 82 N -0.10 2.84 -0.07 0.91 1.51 -1.26 -1.65 117.35 119.53 2h1u s TYR 82 Ca -0.01 -0.46 -0.05 0.00 -1.01 0.00 0.00 57.07 55.53 2h1u s TYR 82 Cb -0.11 -1.82 0.02 0.00 -0.11 0.00 0.00 41.96 39.94 2h1u s TYR 82 CO 0.02 -0.08 0.17 0.54 -1.11 0.00 0.00 175.55 175.09 2h1u s VAL 83 N 0.11 -0.01 0.75 0.71 0.11 -0.55 -5.01 120.40 116.51 2h1u s VAL 83 Ca -0.05 0.03 -0.11 0.00 -2.93 0.00 0.00 61.98 58.93 2h1u s VAL 83 Cb -0.14 -0.25 0.04 0.00 -1.53 0.00 0.00 36.38 34.49 2h1u s VAL 83 CO 0.04 0.01 1.08 -0.83 -3.33 0.00 0.00 175.10 172.07 2h1u s GLY 84 N 0.32 1.66 -0.26 6.54 0.00 -1.26 -0.71 107.32 113.60 2h1u s GLY 84 Ca -0.02 0.08 -0.15 0.00 0.00 0.00 0.00 44.72 44.63 2h1u s GLY 84 CO -0.01 0.43 0.37 0.14 0.00 0.00 0.00 173.10 174.03 2h1u s VAL 85 N -3.01 5.18 -0.13 1.40 1.01 -1.19 -0.82 120.40 122.84 2h1u s VAL 85 Ca 0.60 0.57 0.03 0.00 0.00 0.00 0.00 61.98 63.18 2h1u s VAL 85 Cb -0.15 -3.70 -0.24 0.00 0.00 0.00 0.00 36.38 32.30 2h1u s VAL 85 CO 0.55 0.17 0.33 1.67 0.00 0.00 0.00 175.10 177.83 2h1u n GLN 86 N 5.20 0.70 -3.77 2.72 7.27 0.96 -4.85 117.38 125.61 2h1u n GLN 86 Ca -0.09 0.23 -0.13 0.00 0.07 0.00 0.00 57.00 57.08 2h1u n GLN 86 Cb 0.51 -1.68 -0.11 0.00 2.41 0.00 0.00 30.24 31.36 2h1u n GLN 86 CO 0.00 0.00 0.00 0.21 0.07 0.00 0.00 177.06 177.34 2h1u s LYS 87 N -2.56 0.34 -0.18 3.69 2.20 -1.06 -4.98 119.74 117.19 2h1u s LYS 87 Ca -0.18 0.43 0.00 0.00 -0.36 0.00 0.00 55.97 55.87 2h1u s LYS 87 Cb 0.07 0.15 0.02 0.00 -1.51 0.00 0.00 37.83 36.55 2h1u s LYS 87 CO 0.77 -0.05 -0.18 0.42 -0.36 0.00 0.00 175.35 175.94 2h1u s ILE 88 N 0.26 2.25 -0.33 5.43 1.01 -1.26 -0.39 121.20 128.17 2h1u s ILE 88 Ca -0.01 -0.88 -0.01 0.00 0.00 0.00 0.00 60.65 59.76 2h1u s ILE 88 Cb -0.03 -1.96 0.08 0.00 0.01 0.00 0.00 42.46 40.56 2h1u s ILE 88 CO -0.01 0.52 0.05 -0.69 0.00 0.00 0.00 174.94 174.82 2h1u s VAL 89 N 1.28 2.88 0.15 2.92 1.01 0.20 -4.99 120.40 123.85 2h1u s VAL 89 Ca 0.04 -1.76 -0.12 0.00 0.00 0.00 0.00 61.98 60.14 2h1u s VAL 89 Cb -0.13 -2.82 -0.07 0.00 0.00 0.00 0.00 36.38 33.36 2h1u s VAL 89 CO -0.11 -0.35 0.52 -0.69 0.00 0.00 0.00 175.10 174.48 2h1u s VAL 90 N 1.15 4.91 0.15 2.92 1.01 -1.26 -0.61 120.40 128.67 2h1u s VAL 90 Ca 0.01 0.69 -0.34 0.00 0.00 0.00 0.00 61.98 62.34 2h1u s VAL 90 Cb -0.21 -3.69 -0.14 0.00 0.00 0.00 0.00 36.38 32.34 2h1u s VAL 90 CO -0.03 0.18 1.60 1.57 0.00 0.00 0.00 175.10 178.41 2h1u n HIS 91 N 0.61 2.29 0.25 5.22 -0.00 -0.69 -4.83 115.22 118.06 2h1u n HIS 91 Ca -0.04 0.25 0.09 0.00 0.46 0.00 0.00 57.72 58.48 2h1u n HIS 91 Cb 0.52 -2.55 0.44 0.00 -0.12 0.00 0.00 29.99 28.28 2h1u n HIS 91 CO 0.00 0.00 0.00 -2.30 0.46 0.00 0.00 176.34 174.50 2h1u n PRO 92 N 3.58 0.12 0.00 1.57 -0.01 -1.26 -1.42 135.00 137.59 2h1u n PRO 92 Ca 0.17 0.51 0.13 0.00 -0.01 0.00 0.00 63.50 64.30 2h1u n PRO 92 Cb 0.29 -1.82 0.32 0.00 -0.01 0.00 0.00 33.50 32.28 2h1u n PRO 92 CO 0.00 0.00 0.00 0.66 -0.01 0.00 0.00 175.50 176.15 2h1u n TYR 93 N -2.06 0.00 -1.71 6.00 0.53 -1.26 -4.95 117.16 113.70 2h1u n TYR 93 Ca 0.00 0.00 -0.43 0.00 -1.02 0.00 0.00 57.90 56.45 2h1u n TYR 93 Cb 0.10 -0.03 -0.02 0.00 -1.03 0.00 0.00 39.34 38.36 2h1u n TYR 93 CO 0.00 0.00 0.00 1.87 -1.02 0.00 0.00 176.86 177.71 2h1u n TRP 94 N 0.15 2.59 -3.88 -0.72 -0.00 -0.51 -4.91 117.44 110.18 2h1u n TRP 94 Ca 0.15 0.25 -0.28 0.00 -0.00 0.00 0.00 57.50 57.61 2h1u n TRP 94 Cb 0.42 -2.57 -0.16 0.00 -0.00 0.00 0.00 31.31 28.99 2h1u n TRP 94 CO 0.00 0.00 0.00 1.21 -0.00 0.00 0.00 177.69 178.90 2h1u s ASN 95 N 0.64 3.04 0.60 5.87 3.84 -1.26 -5.01 114.94 122.66 2h1u s ASN 95 Ca 0.69 -0.79 0.30 0.00 0.21 0.00 0.00 52.86 53.28 2h1u s ASN 95 Cb -0.56 -0.92 1.80 0.00 -0.55 0.00 0.00 41.25 41.03 2h1u s ASN 95 CO 0.44 -0.21 2.21 0.00 -2.79 0.00 0.00 177.10 176.74 2h1u h THR 96 N 6.46 0.47 0.00 -5.21 1.03 -1.98 -0.80 112.91 112.89 2h1u h THR 96 Ca -0.22 0.00 0.00 0.00 -0.01 0.00 0.00 66.41 66.18 2h1u h THR 96 Cb 1.10 0.94 0.00 0.00 -1.07 0.00 0.00 68.15 69.13 2h1u h THR 96 CO 0.39 0.00 0.00 0.47 -0.01 0.00 0.00 175.52 176.37 2h1u n ASP 97 N -3.78 0.00 -2.99 0.00 8.00 -1.26 -4.42 116.55 112.10 2h1u n ASP 97 Ca -0.02 0.40 -0.17 0.00 0.71 0.00 0.00 54.79 55.72 2h1u n ASP 97 Cb 0.16 -0.46 -0.02 0.00 -0.02 0.00 0.00 41.12 40.79 2h1u n ASP 97 CO 0.00 0.00 0.00 -0.67 -0.39 0.00 0.00 177.20 176.14 2h1u n ASP 98 N -1.46 -1.30 -2.20 -2.24 -0.08 -0.30 -5.07 116.55 103.89 2h1u n ASP 98 Ca 0.06 -2.96 -0.00 0.00 -1.51 0.00 0.00 54.79 50.38 2h1u n ASP 98 Cb 0.23 0.52 -0.00 0.00 2.34 0.00 0.00 41.12 44.20 2h1u n ASP 98 CO 0.00 0.00 0.00 0.55 0.12 0.00 0.00 177.20 177.87 2h1u n VAL 99 N 1.60 0.10 0.00 5.18 3.14 -1.25 -4.09 118.33 122.99 2h1u n VAL 99 Ca 0.16 -0.04 0.00 0.00 -2.96 0.00 0.00 64.34 61.50 2h1u n VAL 99 Cb 0.57 -1.24 0.00 0.00 -1.06 0.00 0.00 33.84 32.11 2h1u n VAL 99 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 2h1u n ALA 99 N 2.42 0.00 0.00 1.55 0.00 -1.26 -4.82 120.51 118.41 2h1u n ALA 99 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.45 2h1u n ALA 99 Cb 0.03 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.48 2h1u n ALA 99 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2h1u n GLY 100 N 0.00 -1.06 2.40 0.00 0.00 -1.26 -5.00 105.19 100.27 2h1u n GLY 100 Ca 0.00 -1.78 -0.16 0.00 0.00 0.00 0.00 46.02 44.09 2h1u n GLY 100 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 2h1u n TYR 101 N 0.00 -0.24 -2.36 1.61 4.02 -1.26 -4.63 117.16 114.30 2h1u n TYR 101 Ca 0.00 0.00 -0.43 0.00 -0.01 0.00 0.00 57.90 57.46 2h1u n TYR 101 Cb 0.00 -2.89 0.00 0.00 -0.02 0.00 0.00 39.34 36.43 2h1u n TYR 101 CO 0.00 0.00 0.00 -3.47 -1.01 0.00 0.00 176.86 172.38 2h1u n ASP 102 N -0.67 4.70 -3.70 7.72 2.03 -1.26 -4.34 116.55 121.03 2h1u n ASP 102 Ca -0.17 -2.94 -0.14 0.00 0.52 0.00 0.00 54.79 52.07 2h1u n ASP 102 Cb 0.55 -1.65 -0.09 0.00 -0.72 0.00 0.00 41.12 39.22 2h1u n ASP 102 CO 0.00 0.00 0.00 -0.51 -1.92 0.00 0.00 177.20 174.77 2h1u s ILE 103 N 2.87 0.02 0.02 5.18 2.07 -1.26 -3.85 121.20 126.25 2h1u s ILE 103 Ca 0.48 -0.16 -0.14 0.00 -1.41 0.00 0.00 60.65 59.41 2h1u s ILE 103 Cb 0.07 -0.70 0.02 0.00 0.13 0.00 0.00 42.46 41.98 2h1u s ILE 103 CO 0.00 -0.09 0.31 0.00 -1.91 0.00 0.00 174.94 173.26 2h1u s ALA 104 N -0.54 -0.75 -0.06 1.50 0.00 -0.17 -1.71 121.76 120.04 2h1u s ALA 104 Ca -0.07 0.16 0.05 0.00 0.00 0.00 0.00 51.96 52.11 2h1u s ALA 104 Cb -0.03 0.22 -0.02 0.00 0.00 0.00 0.00 23.12 23.29 2h1u s ALA 104 CO 0.03 -0.35 -0.22 -0.51 0.00 0.00 0.00 175.76 174.71 2h1u s LEU 105 N -1.75 2.23 -0.19 0.00 1.43 0.22 -1.20 118.68 119.42 2h1u s LEU 105 Ca -0.09 -0.44 -0.02 0.00 -1.03 0.00 0.00 54.13 52.56 2h1u s LEU 105 Cb -0.03 -1.42 -0.01 0.00 0.03 0.00 0.00 46.19 44.77 2h1u s LEU 105 CO -0.00 0.27 -0.10 -0.76 0.23 0.00 0.00 176.35 175.99 2h1u s LEU 106 N -0.29 2.72 -0.15 1.79 1.43 0.51 -0.63 118.68 124.06 2h1u s LEU 106 Ca 0.01 -0.41 -0.23 0.00 -1.03 0.00 0.00 54.13 52.46 2h1u s LEU 106 Cb -0.13 -1.66 -0.03 0.00 0.03 0.00 0.00 46.19 44.41 2h1u s LEU 106 CO 0.03 0.04 0.71 -0.60 0.23 0.00 0.00 176.35 176.75 2h1u s ARG 107 N 1.10 4.30 0.35 1.70 3.52 0.47 -1.34 118.95 129.05 2h1u s ARG 107 Ca 0.01 0.81 -0.20 0.00 -0.13 0.00 0.00 55.73 56.21 2h1u s ARG 107 Cb -0.15 -3.54 -0.10 0.00 -1.56 0.00 0.00 34.95 29.61 2h1u s ARG 107 CO -0.02 -0.17 0.85 -0.51 -0.81 0.00 0.00 175.30 174.64 2h1u s LEU 108 N 1.64 4.11 0.44 -0.88 1.43 0.29 -0.03 118.68 125.69 2h1u s LEU 108 Ca 0.34 1.55 0.19 0.00 -1.03 0.00 0.00 54.13 55.18 2h1u s LEU 108 Cb -0.17 -4.17 1.04 0.00 0.03 0.00 0.00 46.19 42.93 2h1u s LEU 108 CO 0.13 -0.20 1.94 0.00 0.23 0.00 0.00 176.35 178.45 2h1u h ALA 109 N 2.46 1.39 -2.70 4.21 0.00 -1.31 -3.43 119.26 119.89 2h1u h ALA 109 Ca -0.48 -0.22 -0.24 0.00 0.00 0.00 0.00 54.91 53.97 2h1u h ALA 109 Cb 1.18 -0.04 -0.18 0.00 0.00 0.00 0.00 17.79 18.75 2h1u h ALA 109 CO 0.64 0.30 -0.71 -0.65 0.00 0.00 0.00 179.25 178.82 2h1u s GLN 110 N -4.25 0.66 -0.04 0.00 1.11 -1.26 -5.04 119.66 110.85 2h1u s GLN 110 Ca -0.03 -1.04 -0.30 0.00 0.01 0.00 0.00 55.36 54.01 2h1u s GLN 110 Cb 0.14 -0.22 -0.02 0.00 -1.01 0.00 0.00 33.01 31.90 2h1u s GLN 110 CO 0.67 0.01 1.00 -1.12 0.01 0.00 0.00 175.29 175.86 2h1u s SER 111 N -2.30 7.31 0.61 5.90 0.01 -1.26 -4.72 113.70 119.25 2h1u s SER 111 Ca 0.00 1.62 -0.12 0.00 1.31 0.00 0.00 55.95 58.76 2h1u s SER 111 Cb -0.02 -2.56 -0.04 0.00 0.21 0.00 0.00 66.02 63.60 2h1u s SER 111 CO -0.02 -0.35 1.03 0.68 0.41 0.00 0.00 173.24 174.99 2h1u s VAL 112 N 1.45 4.52 -0.12 3.43 -7.23 -0.57 -4.98 120.40 116.90 2h1u s VAL 112 Ca 0.51 0.91 -0.17 0.00 -1.81 0.00 0.00 61.98 61.42 2h1u s VAL 112 Cb -0.20 -3.74 -0.04 0.00 0.56 0.00 0.00 36.38 32.96 2h1u s VAL 112 CO 0.24 -0.98 0.42 -0.89 -0.31 0.00 0.00 175.10 173.57 2h1u s THR 113 N -3.02 5.21 0.21 5.32 2.01 -1.26 -4.87 115.64 119.24 2h1u s THR 113 Ca 0.57 0.83 -0.17 0.00 0.31 0.00 0.00 61.69 63.22 2h1u s THR 113 Cb -0.12 -3.75 -0.08 0.00 0.01 0.00 0.00 72.50 68.56 2h1u s THR 113 CO 0.49 0.37 0.66 -0.76 -0.69 0.00 0.00 174.62 174.69 2h1u s LEU 114 N 0.41 4.29 0.00 4.42 1.43 -1.26 -4.80 118.68 123.18 2h1u s LEU 114 Ca 0.23 1.27 0.00 0.00 -1.03 0.00 0.00 54.13 54.59 2h1u s LEU 114 Cb -0.15 -3.55 0.00 0.00 0.03 0.00 0.00 46.19 42.52 2h1u s LEU 114 CO 0.09 0.02 0.00 -0.46 0.23 0.00 0.00 176.35 176.22 2h1u n ASN 115 N 0.56 0.00 0.31 2.29 0.23 -0.26 -4.96 115.26 113.43 2h1u n ASN 115 Ca -0.02 -0.57 0.17 0.00 -0.53 0.00 0.00 54.58 53.63 2h1u n ASN 115 Cb 0.52 0.00 0.98 0.00 -2.08 0.00 0.00 39.78 39.20 2h1u n ASN 115 CO 0.00 0.00 0.00 0.28 -0.93 0.00 0.00 177.26 176.61 2h1u h SER 116 N 0.00 0.00 -0.00 0.53 0.02 -1.99 -2.31 113.55 109.80 2h1u h SER 116 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 2h1u h SER 116 Cb 0.00 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.54 2h1u h SER 116 CO 0.00 0.01 -0.83 -1.22 -1.14 0.00 0.00 176.83 173.65 2h1u n TYR 117 N -3.63 0.00 -3.61 3.45 4.02 -1.26 -4.73 117.16 111.40 2h1u n TYR 117 Ca -0.03 0.00 -0.28 0.00 -0.01 0.00 0.00 57.90 57.58 2h1u n TYR 117 Cb 0.09 0.00 -0.16 0.00 -0.02 0.00 0.00 39.34 39.25 2h1u n TYR 117 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 176.86 175.93 2h1u s VAL 118 N -2.69 0.14 0.08 -0.72 1.01 -0.87 -3.68 120.40 113.67 2h1u s VAL 118 Ca 0.08 -0.68 0.01 0.00 0.00 0.00 0.00 61.98 61.39 2h1u s VAL 118 Cb 0.14 -0.99 -0.04 0.00 0.00 0.00 0.00 36.38 35.49 2h1u s VAL 118 CO 0.73 -0.54 -0.06 -1.10 0.00 0.00 0.00 175.10 174.13 2h1u s GLN 119 N 2.01 0.72 0.28 2.72 -1.52 -0.66 -1.10 119.66 122.11 2h1u s GLN 119 Ca 0.06 -1.21 -0.29 0.00 -1.95 0.00 0.00 55.36 51.96 2h1u s GLN 119 Cb -0.16 -0.10 -0.10 0.00 -0.22 0.00 0.00 33.01 32.43 2h1u s GLN 119 CO -0.24 -0.03 1.11 -0.51 -0.25 0.00 0.00 175.29 175.36 2h1u s LEU 120 N -2.78 4.55 0.22 2.90 1.43 -1.26 -3.43 118.68 120.30 2h1u s LEU 120 Ca 0.07 2.29 -0.30 0.00 -1.03 0.00 0.00 54.13 55.16 2h1u s LEU 120 Cb 0.04 -3.63 -0.09 0.00 0.03 0.00 0.00 46.19 42.54 2h1u s LEU 120 CO -0.05 -0.16 1.16 -0.83 0.23 0.00 0.00 176.35 176.70 2h1u s GLY 121 N -0.86 2.83 -0.07 -3.19 0.00 0.13 -4.82 107.32 101.33 2h1u s GLY 121 Ca 0.45 0.93 -0.30 0.00 0.00 0.00 0.00 44.72 45.80 2h1u s GLY 121 CO 0.41 1.73 1.04 0.14 0.00 0.00 0.00 173.10 176.42 2h1u s VAL 122 N -0.45 4.69 0.07 1.40 1.01 -1.26 -4.82 120.40 121.05 2h1u s VAL 122 Ca 0.50 1.96 0.03 0.00 0.00 0.00 0.00 61.98 64.46 2h1u s VAL 122 Cb -0.32 -4.26 -0.04 0.00 0.00 0.00 0.00 36.38 31.76 2h1u s VAL 122 CO 0.38 0.04 0.07 -0.76 0.00 0.00 0.00 175.10 174.83 2h1u s LEU 123 N 1.81 3.78 0.75 3.92 1.43 -1.26 -0.27 118.68 128.84 2h1u s LEU 123 Ca 0.51 -0.01 -0.11 0.00 -1.03 0.00 0.00 54.13 53.49 2h1u s LEU 123 Cb -0.20 -2.44 0.04 0.00 0.03 0.00 0.00 46.19 43.62 2h1u s LEU 123 CO 0.21 0.18 1.08 -2.16 0.23 0.00 0.00 176.35 175.89 2h1u s PRO 124 N -2.32 2.46 0.56 1.29 0.04 -1.26 -4.90 135.00 130.88 2h1u s PRO 124 Ca 0.28 0.98 -0.20 0.00 0.04 0.00 0.00 61.00 62.10 2h1u s PRO 124 Cb -0.12 -1.93 -0.05 0.00 0.04 0.00 0.00 34.50 32.44 2h1u s PRO 124 CO 0.21 -1.44 1.19 -0.98 0.04 0.00 0.00 177.00 176.02 2h1u s ARG 125 N -5.00 3.19 0.22 4.56 3.03 -1.26 -4.82 118.95 118.87 2h1u s ARG 125 Ca 0.60 1.80 -0.31 0.00 2.03 0.00 0.00 55.73 59.85 2h1u s ARG 125 Cb -0.15 -2.04 -0.14 0.00 -1.03 0.00 0.00 34.95 31.58 2h1u s ARG 125 CO 0.55 -1.02 1.26 0.00 -1.13 0.00 0.00 175.30 174.96 2h1u n ALA 126 N -1.32 0.22 -0.08 7.88 0.00 -1.26 -2.17 120.51 123.78 2h1u n ALA 126 Ca 0.12 0.43 0.00 0.00 0.00 0.00 0.00 53.44 53.99 2h1u n ALA 126 Cb 0.49 -2.14 0.00 0.00 0.00 0.00 0.00 19.45 17.80 2h1u n ALA 126 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2h1u n GLY 127 N 1.91 1.65 3.70 0.00 0.00 -0.39 -5.01 105.19 107.06 2h1u n GLY 127 Ca 0.12 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.72 2h1u n GLY 127 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2h1u s THR 128 N -2.68 2.80 -0.04 2.61 2.01 -0.92 -5.00 115.64 114.42 2h1u s THR 128 Ca 0.00 0.43 0.06 0.00 0.31 0.00 0.00 61.69 62.49 2h1u s THR 128 Cb 0.00 -3.28 -0.02 0.00 0.01 0.00 0.00 72.50 69.22 2h1u s THR 128 CO 0.00 0.01 -0.23 -0.63 -0.69 0.00 0.00 174.62 173.08 2h1u s ILE 129 N 1.96 2.26 0.16 1.82 -1.09 -1.26 -4.77 121.20 120.28 2h1u s ILE 129 Ca 0.73 -1.01 -0.16 0.00 -2.23 0.00 0.00 60.65 57.97 2h1u s ILE 129 Cb -0.42 -1.82 -0.07 0.00 -1.58 0.00 0.00 42.46 38.57 2h1u s ILE 129 CO 0.32 0.58 0.60 -0.76 -1.23 0.00 0.00 174.94 174.45 2h1u s LEU 130 N -0.43 4.35 0.66 2.97 1.43 -1.26 -5.05 118.68 121.35 2h1u s LEU 130 Ca 0.05 1.18 -0.17 0.00 -1.03 0.00 0.00 54.13 54.15 2h1u s LEU 130 Cb -0.12 -3.34 -0.00 0.00 0.03 0.00 0.00 46.19 42.76 2h1u s LEU 130 CO 0.01 0.09 1.26 0.00 0.23 0.00 0.00 176.35 177.94 2h1u s ALA 131 N -1.47 2.32 0.40 4.21 0.00 -1.26 -4.88 121.76 121.09 2h1u s ALA 131 Ca 0.39 1.10 -0.24 0.00 0.00 0.00 0.00 51.96 53.21 2h1u s ALA 131 Cb -0.16 -3.52 -0.11 0.00 0.00 0.00 0.00 23.12 19.33 2h1u s ALA 131 CO 0.20 -1.63 0.91 -1.71 0.00 0.00 0.00 175.76 173.53 2h1u n ASN 132 N -2.09 0.78 -1.45 0.00 5.15 -1.26 -2.51 115.26 113.87 2h1u n ASN 132 Ca 0.15 1.03 -0.14 0.00 -0.60 0.00 0.00 54.58 55.01 2h1u n ASN 132 Cb 0.49 -1.29 -0.03 0.00 -0.53 0.00 0.00 39.78 38.42 2h1u n ASN 132 CO 0.00 0.00 0.00 -3.20 1.40 0.00 0.00 177.26 175.46 2h1u n ASN 133 N 0.77 -4.51 -4.77 1.20 5.15 0.17 -4.94 115.26 108.33 2h1u n ASN 133 Ca 0.10 0.12 -0.39 0.00 -0.60 0.00 0.00 54.58 53.81 2h1u n ASN 133 Cb 0.38 -3.53 -0.03 0.00 -0.53 0.00 0.00 39.78 36.06 2h1u n ASN 133 CO 0.00 0.00 0.00 -0.44 1.40 0.00 0.00 177.26 178.22 2h1u s SER 134 N -2.53 6.90 -0.05 1.20 0.01 -1.05 -4.60 113.70 113.59 2h1u s SER 134 Ca 0.00 2.24 -0.30 0.00 1.31 0.00 0.00 55.95 59.20 2h1u s SER 134 Cb 0.00 -2.61 -0.04 0.00 0.21 0.00 0.00 66.02 63.58 2h1u s SER 134 CO 0.00 -0.40 1.23 -2.16 0.41 0.00 0.00 173.24 172.31 2h1u s PRO 135 N -1.99 4.34 0.05 12.44 0.04 -1.26 -1.25 135.00 147.36 2h1u s PRO 135 Ca 0.52 1.71 -0.07 0.00 0.04 0.00 0.00 61.00 63.19 2h1u s PRO 135 Cb -0.29 -3.56 -0.00 0.00 0.04 0.00 0.00 34.50 30.68 2h1u s PRO 135 CO 0.37 -0.47 0.15 0.00 0.04 0.00 0.00 177.00 177.09 2h1u s TYR 137 N -2.82 2.44 0.14 0.00 1.51 0.42 -0.57 117.35 118.46 2h1u s TYR 137 Ca -0.03 -0.70 -0.13 0.00 -1.01 0.00 0.00 57.07 55.20 2h1u s TYR 137 Cb 0.00 -1.60 -0.07 0.00 -0.11 0.00 0.00 41.96 40.19 2h1u s TYR 137 CO -0.05 -0.20 0.52 -1.50 -1.11 0.00 0.00 175.55 173.21 2h1u s ILE 138 N -0.20 4.91 0.07 2.71 2.07 -0.28 -0.94 121.20 129.54 2h1u s ILE 138 Ca -0.03 0.72 0.05 0.00 -1.41 0.00 0.00 60.65 59.99 2h1u s ILE 138 Cb -0.13 -3.71 -0.03 0.00 0.13 0.00 0.00 42.46 38.72 2h1u s ILE 138 CO 0.03 0.22 -0.14 0.42 -1.91 0.00 0.00 174.94 173.57 2h1u s THR 139 N -1.48 1.10 0.00 4.00 -4.23 -1.21 -1.20 115.64 112.61 2h1u s THR 139 Ca 0.38 -1.31 0.00 0.00 -1.18 0.00 0.00 61.69 59.58 2h1u s THR 139 Cb -0.14 -1.07 0.00 0.00 1.34 0.00 0.00 72.50 72.63 2h1u s THR 139 CO 0.19 -0.24 0.00 0.61 -0.54 0.00 0.00 174.62 174.65 2h1u n GLY 140 N 1.27 0.97 1.48 3.99 0.00 -0.50 -4.54 105.19 107.85 2h1u n GLY 140 Ca -0.21 -1.07 0.08 0.00 0.00 0.00 0.00 46.02 44.82 2h1u n GLY 140 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 2h1u n TRP 141 N -0.72 1.49 -0.76 1.61 8.01 -1.26 -1.70 117.44 124.12 2h1u n TRP 141 Ca 0.00 -0.69 -0.30 0.00 -1.31 0.00 0.00 57.50 55.20 2h1u n TRP 141 Cb 0.00 -0.33 0.25 0.00 -2.01 0.00 0.00 31.31 29.23 2h1u n TRP 141 CO 0.00 0.00 0.00 0.20 -1.01 0.00 0.00 177.69 176.88 2h1u s GLY 142 N -1.08 1.51 0.37 6.99 0.00 -1.25 -1.38 107.32 112.48 2h1u s GLY 142 Ca 0.48 -0.71 -0.25 0.00 0.00 0.00 0.00 44.72 44.24 2h1u s GLY 142 CO 0.18 0.16 0.95 1.04 0.00 0.00 0.00 173.10 175.44 2h1u n LEU 143 N -5.03 1.98 -0.28 0.66 4.77 0.63 -1.91 117.00 117.81 2h1u n LEU 143 Ca 0.10 1.07 0.12 0.00 -0.03 0.00 0.00 56.01 57.27 2h1u n LEU 143 Cb 0.59 -1.30 0.17 0.00 -2.33 0.00 0.00 43.42 40.54 2h1u n LEU 143 CO 0.48 -1.63 0.42 0.35 -1.33 0.00 0.00 177.39 175.68 2h1u n THR 144 N -0.28 0.00 -3.84 -5.08 -2.24 -0.80 -1.00 114.28 101.03 2h1u n THR 144 Ca 0.10 -0.15 -0.11 0.00 -2.27 0.00 0.00 64.05 61.62 2h1u n THR 144 Cb 0.37 0.76 -0.09 0.00 -2.10 0.00 0.00 70.33 69.27 2h1u n THR 144 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 2h1u s ARG 145 N -2.61 0.62 0.01 -0.78 0.52 -1.26 -4.27 118.95 111.18 2h1u s ARG 145 Ca 0.19 -0.48 -0.38 0.00 -0.52 0.00 0.00 55.73 54.54 2h1u s ARG 145 Cb 0.18 0.26 -0.17 0.00 0.52 0.00 0.00 34.95 35.75 2h1u s ARG 145 CO 0.60 -0.17 1.40 2.41 0.02 0.00 0.00 175.30 179.56 2h1u n THR 147 N 1.03 0.06 -2.23 0.02 -1.04 -1.26 -0.25 114.28 110.60 2h1u n THR 147 Ca -0.21 -0.01 -0.20 0.00 -2.04 0.00 0.00 64.05 61.59 2h1u n THR 147 Cb 0.57 -0.84 -0.03 0.00 -1.82 0.00 0.00 70.33 68.22 2h1u n THR 147 CO 0.00 0.00 0.00 0.59 -0.64 0.00 0.00 175.07 175.02 2h1u n ASN 148 N 2.99 -5.75 -0.03 8.00 3.02 -1.26 -4.96 115.26 117.27 2h1u n ASN 148 Ca 0.20 0.08 0.00 0.00 -0.03 0.00 0.00 54.58 54.83 2h1u n ASN 148 Cb 0.17 -4.82 0.00 0.00 -0.61 0.00 0.00 39.78 34.52 2h1u n ASN 148 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2h1u n GLY 149 N -0.91 1.84 3.23 7.41 0.00 0.66 -5.13 105.19 112.29 2h1u n GLY 149 Ca -0.24 -1.75 -0.15 0.00 0.00 0.00 0.00 46.02 43.88 2h1u n GLY 149 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 2h1u s GLN 150 N 4.52 1.00 0.65 1.61 -2.07 -1.26 -4.92 119.66 119.19 2h1u s GLN 150 Ca 0.00 -1.32 -0.17 0.00 -1.82 0.00 0.00 55.36 52.04 2h1u s GLN 150 Cb 0.00 -0.68 -0.02 0.00 -1.09 0.00 0.00 33.01 31.22 2h1u s GLN 150 CO 0.00 0.10 1.08 1.28 -1.32 0.00 0.00 175.29 176.43 2h1u n LEU 151 N 0.19 4.49 -4.77 2.60 4.77 -1.26 -1.91 117.00 121.11 2h1u n LEU 151 Ca -0.13 0.77 -0.35 0.00 -0.03 0.00 0.00 56.01 56.28 2h1u n LEU 151 Cb 0.59 -1.45 0.02 0.00 -2.33 0.00 0.00 43.42 40.25 2h1u n LEU 151 CO 0.29 -1.62 0.78 0.00 -1.33 0.00 0.00 177.39 175.52 2h1u s ALA 152 N -1.55 2.60 -0.13 -1.18 0.00 -0.48 -4.82 121.76 116.20 2h1u s ALA 152 Ca 0.78 0.77 -0.28 0.00 0.00 0.00 0.00 51.96 53.23 2h1u s ALA 152 Cb -0.38 -3.36 -0.26 0.00 0.00 0.00 0.00 23.12 19.11 2h1u s ALA 152 CO 0.45 -0.99 0.76 1.96 0.00 0.00 0.00 175.76 177.94 2h1u h GLN 153 N 0.79 0.04 -5.91 0.00 4.20 -1.94 -3.45 115.11 108.83 2h1u h GLN 153 Ca -0.49 -0.06 -0.62 0.00 0.06 0.00 0.00 58.65 57.53 2h1u h GLN 153 Cb 1.26 0.02 -0.05 0.00 0.30 0.00 0.00 27.48 29.02 2h1u h GLN 153 CO 0.56 1.03 -0.42 0.95 -0.67 0.00 0.00 178.83 180.28 2h1u s THR 154 N -2.25 5.33 0.20 -0.54 -4.23 -1.26 -0.62 115.64 112.27 2h1u s THR 154 Ca -0.19 -0.01 -0.32 0.00 -1.18 0.00 0.00 61.69 59.99 2h1u s THR 154 Cb -0.02 -3.58 -0.14 0.00 1.34 0.00 0.00 72.50 70.10 2h1u s THR 154 CO 0.70 0.28 1.41 -0.11 -0.54 0.00 0.00 174.62 176.37 2h1u n LEU 155 N 0.83 2.82 -4.58 4.79 7.94 -0.29 -4.85 117.00 123.66 2h1u n LEU 155 Ca -0.09 1.13 -0.28 0.00 -1.11 0.00 0.00 56.01 55.66 2h1u n LEU 155 Cb 0.52 -1.39 -0.09 0.00 0.53 0.00 0.00 43.42 42.99 2h1u n LEU 155 CO 0.44 -0.58 -0.40 -1.10 -1.11 0.00 0.00 177.39 174.64 2h1u s GLN 156 N -0.05 2.12 0.05 1.96 -1.52 -0.69 -1.26 119.66 120.27 2h1u s GLN 156 Ca 0.72 -1.17 0.05 0.00 -1.95 0.00 0.00 55.36 53.01 2h1u s GLN 156 Cb -0.70 -2.23 -0.02 0.00 -0.22 0.00 0.00 33.01 29.84 2h1u s GLN 156 CO 0.47 0.46 -0.14 1.14 -0.25 0.00 0.00 175.29 176.97 2h1u s GLN 157 N -2.64 0.88 0.01 2.91 -2.07 0.18 -1.41 119.66 117.51 2h1u s GLN 157 Ca 0.24 -0.81 0.01 0.00 -1.82 0.00 0.00 55.36 52.97 2h1u s GLN 157 Cb -0.10 -0.89 -0.01 0.00 -1.09 0.00 0.00 33.01 30.93 2h1u s GLN 157 CO 0.15 0.21 -0.03 0.00 -1.32 0.00 0.00 175.29 174.30 2h1u s ALA 158 N -0.99 0.20 -0.31 2.60 0.00 -0.34 -0.57 121.76 122.36 2h1u s ALA 158 Ca 0.00 -0.22 -0.28 0.00 0.00 0.00 0.00 51.96 51.46 2h1u s ALA 158 Cb -0.09 -0.01 0.01 0.00 0.00 0.00 0.00 23.12 23.04 2h1u s ALA 158 CO 0.02 0.01 1.04 -0.47 0.00 0.00 0.00 175.76 176.35 2h1u s TYR 159 N -0.36 3.17 -0.38 0.00 5.04 -1.26 -1.13 117.35 122.44 2h1u s TYR 159 Ca -0.02 1.17 0.01 0.00 -2.44 0.00 0.00 57.07 55.78 2h1u s TYR 159 Cb -0.03 -3.60 0.12 0.00 0.35 0.00 0.00 41.96 38.81 2h1u s TYR 159 CO -0.00 -0.72 0.17 -0.51 -1.34 0.00 0.00 175.55 173.16 2h1u s LEU 160 N 3.53 2.38 0.52 6.97 1.43 0.26 -4.94 118.68 128.82 2h1u s LEU 160 Ca 0.44 -2.17 -0.21 0.00 -1.03 0.00 0.00 54.13 51.15 2h1u s LEU 160 Cb -0.13 -0.92 -0.06 0.00 0.03 0.00 0.00 46.19 45.12 2h1u s LEU 160 CO 0.14 -0.33 1.20 -2.84 0.23 0.00 0.00 176.35 174.75 2h1u s PRO 161 N 0.95 3.42 0.75 1.29 0.02 -1.26 -3.89 135.00 136.28 2h1u s PRO 161 Ca 0.14 1.83 -0.13 0.00 0.02 0.00 0.00 61.00 62.87 2h1u s PRO 161 Cb -0.21 -2.21 0.05 0.00 0.02 0.00 0.00 34.50 32.15 2h1u s PRO 161 CO -0.10 -0.84 1.13 0.95 -0.33 0.00 0.00 177.00 177.81 2h1u s THR 162 N -1.56 2.85 -0.20 0.99 -4.23 -0.38 -0.71 115.64 112.39 2h1u s THR 162 Ca 0.69 0.34 0.01 0.00 -1.18 0.00 0.00 61.69 61.55 2h1u s THR 162 Cb -0.30 -2.77 0.05 0.00 1.34 0.00 0.00 72.50 70.81 2h1u s THR 162 CO 0.35 -0.29 -0.09 -0.69 -0.54 0.00 0.00 174.62 173.36 2h1u s VAL 163 N -2.48 1.56 1.10 2.29 1.01 -0.35 -0.66 120.40 122.88 2h1u s VAL 163 Ca 0.67 -1.01 -0.13 0.00 0.00 0.00 0.00 61.98 61.52 2h1u s VAL 163 Cb -0.22 -1.68 0.25 0.00 0.00 0.00 0.00 36.38 34.73 2h1u s VAL 163 CO 0.49 0.11 1.05 1.51 0.00 0.00 0.00 175.10 178.27 2h1u s ASP 164 N 1.42 1.57 0.21 3.32 1.47 -1.26 -4.05 116.67 119.35 2h1u s ASP 164 Ca -0.02 1.45 -0.10 0.00 1.18 0.00 0.00 52.55 55.06 2h1u s ASP 164 Cb -0.17 -2.18 0.18 0.00 -0.34 0.00 0.00 42.92 40.41 2h1u s ASP 164 CO -0.08 -3.82 1.86 0.22 0.68 0.00 0.00 175.17 174.03 2h1u h TYR 165 N -2.37 0.88 -0.71 2.11 3.20 -1.93 0.26 116.97 118.42 2h1u h TYR 165 Ca -0.59 0.02 0.05 0.00 3.14 0.00 0.00 58.73 61.36 2h1u h TYR 165 Cb 1.33 -0.29 -0.05 0.00 1.54 0.00 0.00 36.73 39.25 2h1u h TYR 165 CO 0.28 0.53 0.42 0.00 -1.64 0.00 0.00 178.16 177.75 2h1u h ALA 166 N 1.29 0.95 0.08 1.82 0.00 -1.97 0.23 119.26 121.67 2h1u h ALA 166 Ca 0.28 0.00 -0.16 0.00 0.00 0.00 0.00 54.91 55.03 2h1u h ALA 166 Cb -0.04 -0.17 0.02 0.00 0.00 0.00 0.00 17.79 17.59 2h1u h ALA 166 CO -0.09 0.14 -0.66 0.82 0.00 0.00 0.00 179.25 179.46 2h1u h ILE 167 N 0.79 1.51 -0.20 0.00 2.04 -1.79 -3.32 117.51 116.54 2h1u h ILE 167 Ca 0.31 -2.34 -0.03 0.00 1.00 0.00 0.00 64.86 63.80 2h1u h ILE 167 Cb 0.13 3.00 -0.01 0.00 -0.74 0.00 0.00 36.82 39.20 2h1u h ILE 167 CO -0.16 0.66 -0.01 0.00 0.00 0.00 0.00 178.15 178.65 2h1u n SER 169 N -4.36 6.34 0.00 0.00 3.41 0.05 -0.73 113.62 118.33 2h1u n SER 169 Ca -0.00 -3.33 0.00 0.00 -0.26 0.00 0.00 58.87 55.28 2h1u n SER 169 Cb 0.19 -1.33 0.00 0.00 -0.26 0.00 0.00 64.21 62.81 2h1u n SER 169 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 2h1u n SER 170 N 1.94 0.00 0.00 4.04 3.41 -1.26 -3.45 113.62 118.29 2h1u n SER 170 Ca 0.37 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.98 2h1u n SER 170 Cb 0.32 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.27 2h1u n SER 170 CO 0.00 0.00 0.00 -1.22 -0.16 0.00 0.00 175.04 173.66 2h1u n TYR 171 N 0.00 0.00 1.01 7.33 4.02 -1.26 -4.84 117.16 123.42 2h1u n TYR 171 Ca 0.00 0.00 0.11 0.00 -0.01 0.00 0.00 57.90 58.00 2h1u n TYR 171 Cb 0.00 0.00 -0.00 0.00 -0.02 0.00 0.00 39.34 39.32 2h1u n TYR 171 CO 0.00 0.00 0.00 0.91 -1.01 0.00 0.00 176.86 176.76 2h1u n TRP 172 N 0.00 0.00 -3.86 -0.72 7.02 0.09 -4.88 117.44 115.10 2h1u n TRP 172 Ca 0.00 0.00 0.00 0.00 -1.02 0.00 0.00 57.50 56.48 2h1u n TRP 172 Cb 0.00 -0.01 0.00 0.00 -2.42 0.00 0.00 31.31 28.88 2h1u n TRP 172 CO 0.00 0.00 0.00 0.41 -2.02 0.00 0.00 177.69 176.08 2h1u n GLY 173 N 1.43 1.96 0.07 6.99 0.00 -1.22 -2.20 105.19 112.21 2h1u n GLY 173 Ca 0.09 -0.45 0.08 0.00 0.00 0.00 0.00 46.02 45.74 2h1u n GLY 173 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2h1u n SER 174 N -1.11 0.30 0.09 1.61 3.41 -1.26 -2.85 113.62 113.81 2h1u n SER 174 Ca 0.00 0.60 0.02 0.00 -0.26 0.00 0.00 58.87 59.22 2h1u n SER 174 Cb 0.00 -0.65 0.36 0.00 -0.26 0.00 0.00 64.21 63.66 2h1u n SER 174 CO 0.00 0.00 0.00 0.74 -0.16 0.00 0.00 175.04 175.62 2h1u h THR 175 N 0.00 1.19 -3.23 6.66 2.02 -1.81 -3.41 112.91 114.32 2h1u h THR 175 Ca 0.00 -0.81 -0.58 0.00 0.77 0.00 0.00 66.41 65.79 2h1u h THR 175 Cb 0.18 1.17 -0.06 0.00 -1.74 0.00 0.00 68.15 67.71 2h1u h THR 175 CO 0.00 0.26 -0.09 -0.69 0.37 0.00 0.00 175.52 175.37 2h1u s VAL 176 N -4.75 4.97 0.31 3.16 1.01 -1.13 -4.74 120.40 119.22 2h1u s VAL 176 Ca -0.06 1.08 0.08 0.00 0.00 0.00 0.00 61.98 63.09 2h1u s VAL 176 Cb 0.15 -3.85 -0.04 0.00 0.00 0.00 0.00 36.38 32.64 2h1u s VAL 176 CO 0.74 0.46 0.12 -0.54 0.00 0.00 0.00 175.10 175.88 2h1u s LYS 177 N -0.37 2.43 0.00 2.72 -0.14 -1.26 -4.86 119.74 118.27 2h1u s LYS 177 Ca 0.28 -1.44 0.13 0.00 -1.36 0.00 0.00 55.97 53.57 2h1u s LYS 177 Cb -0.17 -2.23 0.55 0.00 -1.68 0.00 0.00 37.83 34.29 2h1u s LYS 177 CO 0.15 0.21 1.41 -1.71 -0.76 0.00 0.00 175.35 174.65 2h1u n ASN 178 N -1.10 0.00 -0.35 2.83 5.15 -1.26 -1.58 115.26 118.95 2h1u n ASN 178 Ca -0.04 0.50 0.03 0.00 -0.60 0.00 0.00 54.58 54.47 2h1u n ASN 178 Cb 0.60 -0.50 0.08 0.00 -0.53 0.00 0.00 39.78 39.43 2h1u n ASN 178 CO 0.00 0.00 0.00 -1.54 1.40 0.00 0.00 177.26 177.12 2h1u n SER 179 N -1.50 1.01 -4.40 1.20 3.41 -1.26 -4.86 113.62 107.22 2h1u n SER 179 Ca 0.03 -2.01 -0.22 0.00 -0.26 0.00 0.00 58.87 56.41 2h1u n SER 179 Cb 0.15 -0.14 -0.10 0.00 -0.26 0.00 0.00 64.21 63.86 2h1u n SER 179 CO 0.00 0.00 0.00 -0.04 -0.16 0.00 0.00 175.04 174.84 2h1u s MET 180 N -1.75 1.48 -0.09 4.33 -1.94 -0.62 -0.78 119.30 119.94 2h1u s MET 180 Ca 0.12 -1.63 0.02 0.00 -1.71 0.00 0.00 55.69 52.49 2h1u s MET 180 Cb 0.06 -1.49 -0.02 0.00 2.01 0.00 0.00 34.83 35.40 2h1u s MET 180 CO 0.08 0.28 -0.14 0.08 -0.01 0.00 0.00 175.02 175.31 2h1u s VAL 181 N -2.53 3.01 -0.04 -6.03 1.01 0.70 -4.71 120.40 111.80 2h1u s VAL 181 Ca 0.24 -0.71 -0.03 0.00 0.00 0.00 0.00 61.98 61.48 2h1u s VAL 181 Cb -0.04 -2.22 -0.04 0.00 0.00 0.00 0.00 36.38 34.09 2h1u s VAL 181 CO 0.10 0.56 0.14 0.00 0.00 0.00 0.00 175.10 175.90 2h1u s ALA 183 N -1.18 -0.92 0.00 0.00 0.00 -0.37 -1.21 121.76 118.08 2h1u s ALA 183 Ca 0.22 0.94 0.00 0.00 0.00 0.00 0.00 51.96 53.12 2h1u s ALA 183 Cb -0.12 -0.49 0.00 0.00 0.00 0.00 0.00 23.12 22.51 2h1u s ALA 183 CO 0.12 -0.19 0.00 0.41 0.00 0.00 0.00 175.76 176.10 2h1u n GLY 184 N 2.57 0.72 1.36 0.00 0.00 0.11 -1.41 105.19 108.54 2h1u n GLY 184 Ca -0.15 -1.13 0.00 0.00 0.00 0.00 0.00 46.02 44.74 2h1u n GLY 184 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2h1u n GLY 185 N 0.00 0.64 0.00 -0.02 0.00 -1.26 -4.66 105.19 99.89 2h1u n GLY 185 Ca 0.00 -0.21 0.15 0.00 0.00 0.00 0.00 46.02 45.95 2h1u n GLY 185 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2h1u n ASP 186 N 0.38 0.00 0.00 1.61 3.85 -1.26 -0.96 116.55 120.17 2h1u n ASP 186 Ca 0.00 -0.23 0.00 0.00 -0.71 0.00 0.00 54.79 53.85 2h1u n ASP 186 Cb 0.00 -0.25 0.00 0.00 -1.35 0.00 0.00 41.12 39.52 2h1u n ASP 186 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 2h1u n GLY 187 N 1.18 0.93 0.46 6.12 0.00 -1.26 -4.79 105.19 107.82 2h1u n GLY 187 Ca 0.15 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.16 2h1u n GLY 187 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 2h1u n VAL 188 N -2.05 0.06 -5.02 1.61 0.31 -1.26 -4.65 118.33 107.34 2h1u n VAL 188 Ca 0.00 -0.02 -0.31 0.00 -0.01 0.00 0.00 64.34 64.00 2h1u n VAL 188 Cb 0.00 -1.00 -0.14 0.00 -0.91 0.00 0.00 33.84 31.79 2h1u n VAL 188 CO 0.00 0.00 0.00 -0.13 -1.32 0.00 0.00 176.83 175.38 2h1u s ARG 188 N -2.02 2.14 -0.08 5.55 0.52 -1.26 -3.76 118.95 120.05 2h1u s ARG 188 Ca -0.02 -0.92 -0.32 0.00 -0.52 0.00 0.00 55.73 53.96 2h1u s ARG 188 Cb 0.00 -2.14 0.12 0.00 0.52 0.00 0.00 34.95 33.46 2h1u s ARG 188 CO 0.02 0.56 1.17 -1.54 0.02 0.00 0.00 175.30 175.54 2h1u s SER 189 N -0.90 -0.14 0.97 0.23 1.04 -0.62 -4.37 113.70 109.90 2h1u s SER 189 Ca 0.12 -0.08 -0.12 0.00 0.48 0.00 0.00 55.95 56.34 2h1u s SER 189 Cb -0.10 0.21 0.17 0.00 0.10 0.00 0.00 66.02 66.40 2h1u s SER 189 CO 0.01 -0.37 1.09 -0.83 0.98 0.00 0.00 173.24 174.12 2h1u s GLY 190 N -2.55 1.59 0.33 7.32 0.00 -1.26 -0.63 107.32 112.12 2h1u s GLY 190 Ca 0.11 -0.20 -0.17 0.00 0.00 0.00 0.00 44.72 44.45 2h1u s GLY 190 CO -0.04 0.36 0.72 0.00 0.00 0.00 0.00 173.10 174.14 2h1u n GLN 192 N -0.49 1.87 0.00 0.00 3.00 -1.26 -1.20 117.38 119.30 2h1u n GLN 192 Ca -0.06 0.67 0.00 0.00 -0.01 0.00 0.00 57.00 57.61 2h1u n GLN 192 Cb 0.60 -2.36 0.00 0.00 0.00 0.00 0.00 30.24 28.47 2h1u n GLN 192 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 2h1u n GLY 193 N 2.77 0.47 0.10 1.08 0.00 -1.26 -0.27 105.19 108.08 2h1u n GLY 193 Ca 0.15 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.25 2h1u n GLY 193 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2h1u n ASP 194 N 0.00 0.82 -4.04 1.61 8.00 -0.34 -3.75 116.55 118.85 2h1u n ASP 194 Ca 0.00 0.33 -0.47 0.00 0.71 0.00 0.00 54.79 55.37 2h1u n ASP 194 Cb 0.00 0.40 -0.04 0.00 -0.02 0.00 0.00 41.12 41.46 2h1u n ASP 194 CO 0.00 0.00 0.00 -1.20 -0.39 0.00 0.00 177.20 175.61 2h1u n SER 195 N -2.74 -0.82 0.00 -2.24 7.64 -1.26 -1.71 113.62 112.50 2h1u n SER 195 Ca -0.04 1.04 0.00 0.00 1.01 0.00 0.00 58.87 60.88 2h1u n SER 195 Cb 0.65 -0.86 0.00 0.00 -1.01 0.00 0.00 64.21 62.99 2h1u n SER 195 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2h1u n GLY 196 N 1.69 3.08 3.81 0.23 0.00 0.56 -0.22 105.19 114.34 2h1u n GLY 196 Ca 0.17 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.89 2h1u n GLY 196 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2h1u s GLY 197 N -1.93 1.69 0.38 -0.02 0.00 -0.70 -3.34 107.32 103.41 2h1u s GLY 197 Ca 0.00 -1.02 -0.18 0.00 0.00 0.00 0.00 44.72 43.52 2h1u s GLY 197 CO 0.00 -0.25 0.85 2.56 0.00 0.00 0.00 173.10 176.26 2h1u s PRO 198 N -5.66 4.10 -0.27 2.90 0.04 -1.26 -0.66 135.00 134.18 2h1u s PRO 198 Ca 0.71 0.89 -0.06 0.00 0.04 0.00 0.00 61.00 62.58 2h1u s PRO 198 Cb -0.07 -2.30 0.00 0.00 0.04 0.00 0.00 34.50 32.17 2h1u s PRO 198 CO 0.54 0.04 0.05 -1.17 0.04 0.00 0.00 177.00 176.50 2h1u s LEU 199 N -3.15 3.59 -0.25 -3.56 2.96 -0.39 -3.36 118.68 114.52 2h1u s LEU 199 Ca 0.58 -0.60 -0.13 0.00 -0.22 0.00 0.00 54.13 53.75 2h1u s LEU 199 Cb -0.10 -1.85 -0.04 0.00 0.50 0.00 0.00 46.19 44.70 2h1u s LEU 199 CO 0.16 -0.14 0.30 -1.00 -1.32 0.00 0.00 176.35 174.35 2h1u s HIS 200 N 1.50 3.28 -0.02 5.38 3.76 -0.11 -0.72 115.29 128.35 2h1u s HIS 200 Ca 0.03 0.35 0.07 0.00 -0.15 0.00 0.00 55.06 55.36 2h1u s HIS 200 Cb -0.16 -2.46 -0.02 0.00 1.11 0.00 0.00 32.58 31.05 2h1u s HIS 200 CO 0.01 -0.12 -0.23 0.00 -0.85 0.00 0.00 174.74 173.56 2h1u s LEU 202 N -0.54 4.08 -0.03 0.00 2.96 -0.72 -1.32 118.68 123.11 2h1u s LEU 202 Ca 0.09 0.72 -0.00 0.00 -0.22 0.00 0.00 54.13 54.72 2h1u s LEU 202 Cb -0.09 -3.07 0.03 0.00 0.50 0.00 0.00 46.19 43.56 2h1u s LEU 202 CO -0.01 -0.58 0.02 -0.69 -1.32 0.00 0.00 176.35 173.78 2h1u s VAL 203 N 2.90 0.07 -1.59 1.68 1.01 -0.15 -4.74 120.40 119.58 2h1u s VAL 203 Ca 0.32 0.20 -0.12 0.00 0.00 0.00 0.00 61.98 62.38 2h1u s VAL 203 Cb -0.14 -0.22 0.10 0.00 0.00 0.00 0.00 36.38 36.11 2h1u s VAL 203 CO 0.11 0.15 0.69 0.59 0.00 0.00 0.00 175.10 176.64 2h1u n ASN 204 N 4.53 -2.51 0.00 3.32 5.03 -1.26 -1.85 115.26 122.51 2h1u n ASN 204 Ca -0.19 -0.99 0.00 0.00 0.87 0.00 0.00 54.58 54.27 2h1u n ASN 204 Cb 0.50 -2.97 0.00 0.00 -1.02 0.00 0.00 39.78 36.30 2h1u n ASN 204 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 2h1u n GLY 205 N -1.63 1.98 3.26 7.41 0.00 -1.26 -5.00 105.19 109.94 2h1u n GLY 205 Ca -0.05 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.65 2h1u n GLY 205 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 2h1u s GLN 206 N -0.23 2.73 0.17 1.61 0.74 -0.77 -5.10 119.66 118.81 2h1u s GLN 206 Ca 0.00 -0.89 -0.30 0.00 0.05 0.00 0.00 55.36 54.22 2h1u s GLN 206 Cb 0.00 -2.22 -0.08 0.00 1.10 0.00 0.00 33.01 31.81 2h1u s GLN 206 CO 0.00 0.32 1.21 0.71 -0.55 0.00 0.00 175.29 176.98 2h1u s TYR 207 N -0.00 3.41 0.10 1.67 1.51 -1.26 -0.98 117.35 121.79 2h1u s TYR 207 Ca -0.08 1.37 0.04 0.00 -1.01 0.00 0.00 57.07 57.39 2h1u s TYR 207 Cb -0.15 -3.45 -0.03 0.00 -0.11 0.00 0.00 41.96 38.21 2h1u s TYR 207 CO 0.05 -1.32 -0.12 0.00 -1.11 0.00 0.00 175.55 173.06 2h1u s ALA 208 N 0.13 1.21 -0.66 3.71 0.00 -0.44 -4.71 121.76 121.00 2h1u s ALA 208 Ca 0.54 -1.17 -0.23 0.00 0.00 0.00 0.00 51.96 51.10 2h1u s ALA 208 Cb -0.33 -0.02 0.07 0.00 0.00 0.00 0.00 23.12 22.84 2h1u s ALA 208 CO 0.36 0.03 0.96 0.08 0.00 0.00 0.00 175.76 177.20 2h1u s VAL 209 N -2.13 4.32 -0.36 0.00 1.01 0.62 -0.39 120.40 123.48 2h1u s VAL 209 Ca 0.05 -0.33 0.23 0.00 0.00 0.00 0.00 61.98 61.92 2h1u s VAL 209 Cb -0.05 -4.68 0.01 0.00 0.00 0.00 0.00 36.38 31.66 2h1u s VAL 209 CO 0.01 -1.45 1.12 0.45 0.00 0.00 0.00 175.10 175.23 2h1u h HIS 210 N 9.56 0.00 -3.91 5.22 3.86 -1.24 -3.38 115.15 125.26 2h1u h HIS 210 Ca -0.29 0.00 -0.33 0.00 -1.16 0.00 0.00 60.37 58.59 2h1u h HIS 210 Cb 1.07 0.00 -0.21 0.00 1.06 0.00 0.00 27.41 29.33 2h1u h HIS 210 CO 0.97 0.00 -0.75 0.20 0.86 0.00 0.00 177.93 179.21 2h1u s GLY 211 N -4.15 0.70 -0.24 2.45 0.00 -1.12 -1.27 107.32 103.68 2h1u s GLY 211 Ca 0.01 -0.94 -0.04 0.00 0.00 0.00 0.00 44.72 43.76 2h1u s GLY 211 CO 0.77 -0.99 -0.03 0.14 0.00 0.00 0.00 173.10 173.00 2h1u s VAL 212 N -1.57 3.33 0.12 1.40 1.01 -0.65 -1.26 120.40 122.79 2h1u s VAL 212 Ca -0.04 -0.68 -0.31 0.00 0.00 0.00 0.00 61.98 60.95 2h1u s VAL 212 Cb -0.08 -2.60 -0.10 0.00 0.00 0.00 0.00 36.38 33.59 2h1u s VAL 212 CO 0.01 0.30 1.82 -0.89 0.00 0.00 0.00 175.10 176.34 2h1u s THR 213 N 1.44 2.55 -0.01 3.92 2.01 0.16 -0.79 115.64 124.92 2h1u s THR 213 Ca 0.04 0.07 -0.04 0.00 0.31 0.00 0.00 61.69 62.07 2h1u s THR 213 Cb -0.15 -3.05 -0.02 0.00 0.01 0.00 0.00 72.50 69.29 2h1u s THR 213 CO -0.03 0.00 -0.08 -0.24 -0.69 0.00 0.00 174.62 173.59 2h1u n SER 214 N 5.62 0.90 -3.55 3.53 2.88 0.25 -0.32 113.62 122.91 2h1u n SER 214 Ca 0.18 0.13 -0.11 0.00 -1.33 0.00 0.00 58.87 57.73 2h1u n SER 214 Cb 0.38 -0.31 -0.04 0.00 -0.75 0.00 0.00 64.21 63.49 2h1u n SER 214 CO 0.00 0.00 0.00 0.72 -1.23 0.00 0.00 175.04 174.53 2h1u s PHE 215 N -2.16 -0.34 0.40 0.66 -0.71 -0.69 -4.95 117.98 110.19 2h1u s PHE 215 Ca -0.07 0.09 0.04 0.00 -1.04 0.00 0.00 56.93 55.95 2h1u s PHE 215 Cb 0.02 0.37 -0.04 0.00 -1.21 0.00 0.00 43.02 42.16 2h1u s PHE 215 CO 0.10 -0.75 0.06 0.14 -1.34 0.00 0.00 175.22 173.44 2h1u s VAL 216 N -3.65 1.12 0.51 -2.49 -7.23 -1.26 -0.96 120.40 106.43 2h1u s VAL 216 Ca 0.01 -2.00 -0.23 0.00 -1.81 0.00 0.00 61.98 57.96 2h1u s VAL 216 Cb 0.01 -2.55 -0.07 0.00 0.56 0.00 0.00 36.38 34.33 2h1u s VAL 216 CO -0.11 0.00 1.28 -0.24 -0.31 0.00 0.00 175.10 175.72 2h1u n SER 217 N -1.05 2.42 0.29 4.85 2.88 -1.23 -4.89 113.62 116.89 2h1u n SER 217 Ca -0.07 1.00 0.19 0.00 -1.33 0.00 0.00 58.87 58.66 2h1u n SER 217 Cb 0.66 -1.53 0.89 0.00 -0.75 0.00 0.00 64.21 63.48 2h1u n SER 217 CO 0.00 0.00 0.00 0.03 -1.23 0.00 0.00 175.04 173.84 2h1u h ARG 217 N 1.55 0.00 0.00 -1.46 3.08 -2.00 -2.87 114.38 112.68 2h1u h ARG 217 Ca -0.50 0.00 -0.13 0.00 0.07 0.00 0.00 59.98 59.43 2h1u h ARG 217 Cb 1.31 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 31.34 2h1u h ARG 217 CO 0.57 0.00 -0.61 1.25 -1.07 0.00 0.00 179.97 180.11 2h1u h LEU 218 N 0.00 0.00 0.00 3.04 6.46 -2.04 -3.48 115.31 119.29 2h1u h LEU 218 Ca 0.00 0.00 0.00 0.00 -0.12 0.00 0.00 57.88 57.76 2h1u h LEU 218 Cb 0.29 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 40.22 2h1u h LEU 218 CO 0.00 0.61 0.00 0.61 -0.62 0.00 0.00 178.44 179.04 2h1u n GLY 219 N 0.58 1.33 0.15 3.75 0.00 -1.08 -5.05 105.19 104.86 2h1u n GLY 219 Ca -0.00 -1.07 -0.05 0.00 0.00 0.00 0.00 46.02 44.90 2h1u n GLY 219 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2h1u s ASN 221 N -4.41 6.94 -0.14 0.00 4.22 -1.26 -4.71 114.94 115.58 2h1u s ASN 221 Ca -0.05 -2.73 0.01 0.00 -2.14 0.00 0.00 52.86 47.95 2h1u s ASN 221 Cb 0.00 -2.38 -0.01 0.00 1.28 0.00 0.00 41.25 40.15 2h1u s ASN 221 CO 0.14 -0.80 -0.16 -0.69 -2.04 0.00 0.00 177.10 173.55 2h1u s VAL 221 N 1.64 2.73 0.26 3.54 1.01 -1.26 -4.60 120.40 123.71 2h1u s VAL 221 Ca 0.37 -0.76 -0.31 0.00 0.00 0.00 0.00 61.98 61.28 2h1u s VAL 221 Cb -0.04 -2.13 -0.11 0.00 0.00 0.00 0.00 36.38 34.09 2h1u s VAL 221 CO -0.04 0.52 1.61 -0.89 0.00 0.00 0.00 175.10 176.31 2h1u s THR 222 N 0.56 2.15 -1.12 3.92 2.01 -1.26 -1.25 115.64 120.65 2h1u s THR 222 Ca -0.10 0.12 0.00 0.00 0.31 0.00 0.00 61.69 62.02 2h1u s THR 222 Cb -0.16 -3.08 0.00 0.00 0.01 0.00 0.00 72.50 69.27 2h1u s THR 222 CO 0.04 0.02 0.00 0.54 -0.69 0.00 0.00 174.62 174.52 2h1u n ARG 223 N 2.83 -1.17 -3.55 4.92 1.74 -0.13 -4.92 116.66 116.38 2h1u n ARG 223 Ca 0.11 0.83 -0.27 0.00 -0.77 0.00 0.00 57.85 57.74 2h1u n ARG 223 Cb 0.37 -4.95 -0.09 0.00 -1.02 0.00 0.00 32.46 26.77 2h1u n ARG 223 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 2h1u n LYS 224 N -1.81 2.15 -1.06 5.56 4.76 -0.38 -4.24 118.16 123.13 2h1u n LYS 224 Ca -0.11 -4.49 -0.33 0.00 -2.87 0.00 0.00 58.31 50.51 2h1u n LYS 224 Cb 0.46 -2.19 0.13 0.00 -1.84 0.00 0.00 35.03 31.59 2h1u n LYS 224 CO 0.00 0.00 0.00 -0.35 -1.37 0.00 0.00 177.40 175.68 2h1u n PRO 225 N 1.27 0.11 -1.93 1.97 -0.04 -1.26 -4.50 135.00 130.61 2h1u n PRO 225 Ca 0.26 0.11 -0.40 0.00 -0.04 0.00 0.00 63.50 63.44 2h1u n PRO 225 Cb 0.40 -2.37 0.00 0.00 -0.04 0.00 0.00 33.50 31.49 2h1u n PRO 225 CO 0.00 0.00 0.00 0.99 -0.04 0.00 0.00 175.50 176.45 2h1u s THR 226 N -2.17 2.35 -0.07 0.52 2.01 -0.50 -4.75 115.64 113.03 2h1u s THR 226 Ca 0.72 0.32 0.02 0.00 0.31 0.00 0.00 61.69 63.06 2h1u s THR 226 Cb -0.29 -3.19 -0.02 0.00 0.01 0.00 0.00 72.50 69.01 2h1u s THR 226 CO 0.53 0.05 -0.13 -0.69 -0.69 0.00 0.00 174.62 173.69 2h1u s VAL 227 N -1.21 3.13 0.03 3.82 1.01 -0.14 -1.23 120.40 125.81 2h1u s VAL 227 Ca 0.57 -0.68 0.07 0.00 0.00 0.00 0.00 61.98 61.94 2h1u s VAL 227 Cb -0.41 -2.26 -0.02 0.00 0.00 0.00 0.00 36.38 33.69 2h1u s VAL 227 CO 0.54 0.57 -0.19 -0.36 0.00 0.00 0.00 175.10 175.66 2h1u s PHE 228 N -0.43 1.68 0.24 5.22 0.08 0.49 -0.59 117.98 124.67 2h1u s PHE 228 Ca 0.05 -0.36 -0.31 0.00 0.12 0.00 0.00 56.93 56.43 2h1u s PHE 228 Cb -0.12 -1.02 -0.11 0.00 -0.57 0.00 0.00 43.02 41.20 2h1u s PHE 228 CO 0.02 0.06 1.64 0.99 -0.10 0.00 0.00 175.22 177.83 2h1u s THR 229 N -0.73 2.14 -0.50 0.64 2.01 0.03 -0.22 115.64 119.01 2h1u s THR 229 Ca 0.06 0.11 -0.27 0.00 0.31 0.00 0.00 61.69 61.90 2h1u s THR 229 Cb -0.08 -3.07 0.03 0.00 0.01 0.00 0.00 72.50 69.39 2h1u s THR 229 CO 0.01 0.01 1.04 -0.60 -0.69 0.00 0.00 174.62 174.40 2h1u s ARG 230 N 0.40 3.56 0.34 4.92 3.52 0.04 -1.64 118.95 130.10 2h1u s ARG 230 Ca 0.69 0.25 0.05 0.00 -0.13 0.00 0.00 55.73 56.58 2h1u s ARG 230 Cb -0.48 -3.95 0.68 0.00 -1.56 0.00 0.00 34.95 29.64 2h1u s ARG 230 CO 0.39 -1.39 1.93 0.28 -0.81 0.00 0.00 175.30 175.71 2h1u h VAL 231 N 6.14 1.01 0.00 7.11 2.07 -1.48 -1.76 116.25 129.35 2h1u h VAL 231 Ca -0.24 -0.29 0.00 0.00 0.82 0.00 0.00 66.70 66.99 2h1u h VAL 231 Cb 1.07 0.11 0.00 0.00 -1.52 0.00 0.00 31.29 30.95 2h1u h VAL 231 CO 1.10 0.15 0.00 -1.54 0.02 0.00 0.00 177.57 177.30 2h1u n SER 232 N -4.49 0.26 0.08 0.57 3.41 -1.26 -0.85 113.62 111.35 2h1u n SER 232 Ca 0.12 0.56 0.13 0.00 -0.26 0.00 0.00 58.87 59.42 2h1u n SER 232 Cb 0.25 -0.62 0.46 0.00 -0.26 0.00 0.00 64.21 64.03 2h1u n SER 232 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2h1u n ALA 233 N -1.61 2.15 -0.19 7.33 0.00 -0.66 -1.27 120.51 126.27 2h1u n ALA 233 Ca 0.03 -0.02 0.02 0.00 0.00 0.00 0.00 53.44 53.47 2h1u n ALA 233 Cb 0.21 -1.44 0.03 0.00 0.00 0.00 0.00 19.45 18.25 2h1u n ALA 233 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 2h1u n TYR 234 N -2.08 0.03 -0.15 0.00 4.02 -0.03 -4.80 117.16 114.16 2h1u n TYR 234 Ca 0.05 -0.59 -0.05 0.00 -0.01 0.00 0.00 57.90 57.31 2h1u n TYR 234 Cb 0.37 -0.07 0.04 0.00 -0.02 0.00 0.00 39.34 39.66 2h1u n TYR 234 CO 0.00 0.00 0.00 0.82 -1.01 0.00 0.00 176.86 176.67 2h1u h ILE 235 N 0.12 0.93 -0.46 -0.72 1.08 -1.72 0.14 117.51 116.89 2h1u h ILE 235 Ca 0.00 -0.15 -0.03 0.00 -0.39 0.00 0.00 64.86 64.29 2h1u h ILE 235 Cb 0.60 0.47 -0.02 0.00 -3.07 0.00 0.00 36.82 34.80 2h1u h ILE 235 CO 0.00 0.08 0.16 0.28 -0.69 0.00 0.00 178.15 177.98 2h1u h SER 236 N 0.43 0.65 -0.15 1.72 0.02 -1.92 0.02 113.55 114.31 2h1u h SER 236 Ca 0.21 -0.19 0.03 0.00 -0.84 0.00 0.00 61.79 61.00 2h1u h SER 236 Cb 0.14 -0.17 -0.03 0.00 0.14 0.00 0.00 62.40 62.48 2h1u h SER 236 CO -0.16 0.66 -0.06 -0.25 -1.14 0.00 0.00 176.83 175.88 2h1u h TRP 237 N 0.60 -0.13 -0.13 3.45 7.01 -1.76 0.94 115.95 125.93 2h1u h TRP 237 Ca 0.15 0.02 0.03 0.00 2.11 0.00 0.00 58.89 61.19 2h1u h TRP 237 Cb 0.23 0.08 -0.03 0.00 -2.10 0.00 0.00 29.16 27.35 2h1u h TRP 237 CO 0.01 -0.09 -0.05 0.82 -2.79 0.00 0.00 178.44 176.34 2h1u h ILE 238 N -0.03 0.84 -1.00 2.65 2.04 -0.48 -0.83 117.51 120.69 2h1u h ILE 238 Ca 0.08 0.00 0.03 0.00 1.00 0.00 0.00 64.86 65.97 2h1u h ILE 238 Cb 0.15 0.84 -0.06 0.00 -0.74 0.00 0.00 36.82 37.01 2h1u h ILE 238 CO -0.17 0.00 0.66 0.78 0.00 0.00 0.00 178.15 179.42 2h1u h ASN 239 N -0.02 1.11 -0.66 1.72 2.35 -0.77 -2.12 115.58 117.19 2h1u h ASN 239 Ca 0.07 -0.01 -0.06 0.00 -0.55 0.00 0.00 56.30 55.74 2h1u h ASN 239 Cb 0.12 -0.26 -0.03 0.00 0.05 0.00 0.00 38.32 38.21 2h1u h ASN 239 CO -0.15 0.77 0.17 0.78 -1.65 0.00 0.00 177.43 177.35 2h1u h ASN 240 N 1.29 1.01 -0.29 5.81 2.35 -0.14 -1.12 115.58 124.49 2h1u h ASN 240 Ca 0.39 -0.21 -0.05 0.00 -0.55 0.00 0.00 56.30 55.88 2h1u h ASN 240 Cb -0.03 -0.27 -0.01 0.00 0.05 0.00 0.00 38.32 38.06 2h1u h ASN 240 CO -0.12 0.97 -0.03 0.58 -1.65 0.00 0.00 177.43 177.19 2h1u h VAL 241 N 1.02 1.27 -0.39 2.81 2.07 -0.86 -2.25 116.25 119.92 2h1u h VAL 241 Ca 0.22 -1.00 -0.09 0.00 0.82 0.00 0.00 66.70 66.65 2h1u h VAL 241 Cb 0.35 1.34 -0.02 0.00 -1.52 0.00 0.00 31.29 31.45 2h1u h VAL 241 CO 0.00 0.32 -0.12 0.40 0.02 0.00 0.00 177.57 178.19 2h1u h ILE 242 N 0.30 1.25 -0.00 4.57 2.04 -1.22 -2.34 117.51 122.12 2h1u h ILE 242 Ca 0.08 -1.14 -0.12 0.00 1.00 0.00 0.00 64.86 64.68 2h1u h ILE 242 Cb 0.48 1.08 -0.02 0.00 -0.74 0.00 0.00 36.82 37.62 2h1u h ILE 242 CO 0.02 0.38 -0.57 0.00 0.00 0.00 0.00 178.15 177.98 2h1u h ALA 243 N 1.24 1.05 -0.13 1.87 0.00 -1.17 -3.16 119.26 118.95 2h1u h ALA 243 Ca 0.11 -0.52 0.00 0.00 0.00 0.00 0.00 54.91 54.50 2h1u h ALA 243 Cb 0.57 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.27 2h1u h ALA 243 CO 0.04 0.72 0.00 -1.13 0.00 0.00 0.00 179.25 178.87 2h1u n SER 244 N -3.86 2.49 0.00 0.00 3.41 -0.85 -5.10 113.62 109.71 2h1u n SER 244 Ca -0.01 -1.82 0.00 0.00 -0.26 0.00 0.00 58.87 56.77 2h1u n SER 244 Cb 0.58 -0.08 0.00 0.00 -0.26 0.00 0.00 64.21 64.45 2h1u n SER 244 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47