#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1h4w s VAL 17 N 0.00 4.50 -0.57 1.39 1.01 0.61 -4.02 120.40 123.32 1h4w s VAL 17 Ca 0.00 -0.14 0.00 0.00 0.00 0.00 0.00 61.98 61.84 1h4w s VAL 17 Cb 0.00 -3.00 0.00 0.00 0.00 0.00 0.00 36.38 33.38 1h4w s VAL 17 CO 0.00 0.48 0.00 0.61 0.00 0.00 0.00 175.10 176.19 1h4w n GLY 18 N 3.46 0.79 0.00 4.51 0.00 -1.25 -1.90 105.19 110.80 1h4w n GLY 18 Ca -0.17 -0.62 0.00 0.00 0.00 0.00 0.00 46.02 45.23 1h4w n GLY 18 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1h4w n GLY 19 N -2.11 1.63 3.17 -0.02 0.00 -1.26 -4.89 105.19 101.72 1h4w n GLY 19 Ca -0.05 -1.97 -0.11 0.00 0.00 0.00 0.00 46.02 43.89 1h4w n GLY 19 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1h4w s TYR 20 N 1.90 0.91 -0.06 1.61 1.13 0.06 -4.93 117.35 117.98 1h4w s TYR 20 Ca 0.00 -0.93 -0.30 0.00 -1.41 0.00 0.00 57.07 54.43 1h4w s TYR 20 Cb 0.00 -0.53 -0.04 0.00 -1.10 0.00 0.00 41.96 40.29 1h4w s TYR 20 CO 0.00 -0.16 1.31 0.99 -2.51 0.00 0.00 175.55 175.18 1h4w s THR 21 N -3.64 4.02 0.68 -3.49 2.01 -1.26 0.79 115.64 114.75 1h4w s THR 21 Ca 0.13 1.34 -0.15 0.00 0.31 0.00 0.00 61.69 63.32 1h4w s THR 21 Cb 0.05 -3.86 0.01 0.00 0.01 0.00 0.00 72.50 68.71 1h4w s THR 21 CO -0.04 -0.03 1.14 0.00 -0.69 0.00 0.00 174.62 175.00 1h4w s GLU 23 N -4.02 4.49 -0.23 0.00 2.12 -1.26 -4.88 118.70 114.92 1h4w s GLU 23 Ca 0.69 1.95 -0.40 0.00 0.36 0.00 0.00 54.97 57.57 1h4w s GLU 23 Cb -0.23 -3.10 -0.17 0.00 0.26 0.00 0.00 34.13 30.89 1h4w s GLU 23 CO 0.42 0.03 1.62 -0.85 -0.54 0.00 0.00 175.26 175.93 1h4w n GLU 24 N 0.94 0.93 -2.11 4.30 0.00 -1.26 -1.53 120.64 121.91 1h4w n GLU 24 Ca -0.00 0.34 -0.19 0.00 0.00 0.00 0.00 57.16 57.31 1h4w n GLU 24 Cb 0.44 -1.98 -0.03 0.00 0.00 0.00 0.00 31.44 29.86 1h4w n GLU 24 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.13 177.22 1h4w n ASN 25 N 4.46 -5.31 0.03 -1.84 3.02 -1.26 -4.86 115.26 109.49 1h4w n ASN 25 Ca 0.25 0.18 0.13 0.00 -0.03 0.00 0.00 54.58 55.12 1h4w n ASN 25 Cb 0.11 -4.53 0.50 0.00 -0.61 0.00 0.00 39.78 35.25 1h4w n ASN 25 CO 0.00 0.00 0.00 -1.54 -2.62 0.00 0.00 177.26 173.10 1h4w n SER 26 N -1.69 0.28 -3.65 6.41 3.41 -0.58 -4.02 113.62 113.77 1h4w n SER 26 Ca -0.21 0.41 -0.27 0.00 -0.26 0.00 0.00 58.87 58.53 1h4w n SER 26 Cb 0.65 -0.44 -0.10 0.00 -0.26 0.00 0.00 64.21 64.06 1h4w n SER 26 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 1h4w n LEU 27 N -1.70 2.77 0.21 1.04 4.32 -1.26 -4.96 117.00 117.43 1h4w n LEU 27 Ca 0.06 -5.18 0.13 0.00 -0.02 0.00 0.00 56.01 51.00 1h4w n LEU 27 Cb 0.36 -0.52 0.69 0.00 -1.62 0.00 0.00 43.42 42.34 1h4w n LEU 27 CO 0.29 1.89 0.92 1.55 -1.22 0.00 0.00 177.39 180.82 1h4w h PRO 28 N 4.92 0.00 -0.00 3.23 0.13 -1.78 -2.03 132.00 136.46 1h4w h PRO 28 Ca 0.17 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.30 1h4w h PRO 28 Cb 0.74 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.87 1h4w h PRO 28 CO 0.71 0.00 -0.57 2.48 -0.23 0.00 0.00 178.00 180.39 1h4w n TYR 29 N -2.43 0.00 -2.54 1.56 0.18 -1.16 -2.05 117.16 110.72 1h4w n TYR 29 Ca -0.02 0.00 -0.42 0.00 1.88 0.00 0.00 57.90 59.34 1h4w n TYR 29 Cb 0.12 -0.20 -0.03 0.00 -0.38 0.00 0.00 39.34 38.85 1h4w n TYR 29 CO 0.00 0.00 0.00 -1.14 -2.08 0.00 0.00 176.86 173.64 1h4w s GLN 30 N -2.98 4.48 0.23 -3.48 2.00 -0.77 -1.18 119.66 117.97 1h4w s GLN 30 Ca 0.11 1.63 0.08 0.00 -2.00 0.00 0.00 55.36 55.18 1h4w s GLN 30 Cb 0.17 -3.40 -0.05 0.00 0.80 0.00 0.00 33.01 30.54 1h4w s GLN 30 CO 0.72 -0.18 -0.15 0.14 -0.50 0.00 0.00 175.29 175.32 1h4w s VAL 31 N 1.08 1.88 -0.11 1.34 -7.23 -0.68 -4.47 120.40 112.20 1h4w s VAL 31 Ca 0.56 -2.24 0.01 0.00 -1.81 0.00 0.00 61.98 58.49 1h4w s VAL 31 Cb -0.26 -2.14 -0.02 0.00 0.56 0.00 0.00 36.38 34.53 1h4w s VAL 31 CO 0.28 -0.53 -0.14 -0.55 -0.31 0.00 0.00 175.10 173.86 1h4w s SER 32 N -3.37 3.97 -0.23 4.85 0.15 -0.56 -2.25 113.70 116.26 1h4w s SER 32 Ca 0.25 -0.32 -0.15 0.00 0.70 0.00 0.00 55.95 56.43 1h4w s SER 32 Cb -0.01 -1.47 -0.04 0.00 -1.71 0.00 0.00 66.02 62.79 1h4w s SER 32 CO 0.09 0.20 0.38 -0.76 1.20 0.00 0.00 173.24 174.35 1h4w s LEU 33 N 0.17 4.11 -0.06 3.45 1.43 0.35 -0.52 118.68 127.59 1h4w s LEU 33 Ca -0.08 0.41 0.06 0.00 -1.03 0.00 0.00 54.13 53.50 1h4w s LEU 33 Cb -0.15 -2.47 -0.01 0.00 0.03 0.00 0.00 46.19 43.59 1h4w s LEU 33 CO 0.05 -0.12 -0.25 0.21 0.23 0.00 0.00 176.35 176.47 1h4w s ASN 34 N 1.28 3.05 -0.37 2.29 3.84 0.59 -1.90 114.94 123.72 1h4w s ASN 34 Ca 0.17 -0.51 0.13 0.00 0.21 0.00 0.00 52.86 52.86 1h4w s ASN 34 Cb -0.15 -0.90 0.39 0.00 -0.55 0.00 0.00 41.25 40.03 1h4w s ASN 34 CO 0.08 0.23 0.82 -0.24 -2.79 0.00 0.00 177.10 175.21 1h4w n SER 37 N 3.02 1.31 0.00 -4.21 2.88 -1.26 -1.11 113.62 114.24 1h4w n SER 37 Ca -0.18 -2.97 0.00 0.00 -1.33 0.00 0.00 58.87 54.40 1h4w n SER 37 Cb 0.52 -0.58 0.00 0.00 -0.75 0.00 0.00 64.21 63.40 1h4w n SER 37 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1h4w n GLY 38 N 0.13 2.77 3.60 0.46 0.00 -1.26 -4.96 105.19 105.92 1h4w n GLY 38 Ca 0.21 -0.57 -0.09 0.00 0.00 0.00 0.00 46.02 45.57 1h4w n GLY 38 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1h4w s SER 39 N 0.18 -0.26 0.20 1.61 1.04 -1.26 -5.14 113.70 110.07 1h4w s SER 39 Ca 0.00 -0.54 -0.30 0.00 0.48 0.00 0.00 55.95 55.59 1h4w s SER 39 Cb 0.00 0.61 -0.09 0.00 0.10 0.00 0.00 66.02 66.64 1h4w s SER 39 CO 0.00 -1.12 1.41 -2.28 0.98 0.00 0.00 173.24 172.23 1h4w s HIS 40 N -3.89 3.13 0.00 5.02 2.46 -1.26 -4.41 115.29 116.34 1h4w s HIS 40 Ca 0.11 1.01 0.00 0.00 0.47 0.00 0.00 55.06 56.64 1h4w s HIS 40 Cb -0.02 -3.75 0.00 0.00 -0.13 0.00 0.00 32.58 28.68 1h4w s HIS 40 CO 0.00 -2.52 0.00 1.97 -2.47 0.00 0.00 174.74 171.73 1h4w n PHE 41 N 2.95 0.00 -3.55 3.88 1.16 -0.80 -4.96 117.46 116.14 1h4w n PHE 41 Ca 0.08 0.00 -0.10 0.00 -1.87 0.00 0.00 57.45 55.56 1h4w n PHE 41 Cb 0.41 0.00 -0.02 0.00 -1.61 0.00 0.00 39.48 38.26 1h4w n PHE 41 CO 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 176.76 174.89 1h4w s GLY 43 N -2.80 2.05 0.14 0.00 0.00 0.11 -0.50 107.32 106.31 1h4w s GLY 43 Ca 0.04 -1.68 -0.25 0.00 0.00 0.00 0.00 44.72 42.83 1h4w s GLY 43 CO -0.07 -1.84 1.04 -0.32 0.00 0.00 0.00 173.10 171.91 1h4w s GLY 44 N -4.51 -0.12 -0.04 0.20 0.00 -0.96 -3.66 107.32 98.23 1h4w s GLY 44 Ca 0.47 0.02 0.02 0.00 0.00 0.00 0.00 44.72 45.24 1h4w s GLY 44 CO 0.30 1.02 -0.09 -0.56 0.00 0.00 0.00 173.10 173.77 1h4w s SER 45 N -3.14 1.32 -0.30 1.64 0.01 -0.06 -1.68 113.70 111.49 1h4w s SER 45 Ca 0.16 -0.21 -0.25 0.00 1.31 0.00 0.00 55.95 56.97 1h4w s SER 45 Cb -0.01 -0.49 0.00 0.00 0.21 0.00 0.00 66.02 65.73 1h4w s SER 45 CO 0.03 0.03 0.84 -0.22 0.41 0.00 0.00 173.24 174.33 1h4w s LEU 46 N 0.48 4.06 -0.00 2.44 2.96 -0.32 -0.37 118.68 127.93 1h4w s LEU 46 Ca -0.08 0.78 0.12 0.00 -0.22 0.00 0.00 54.13 54.73 1h4w s LEU 46 Cb -0.12 -3.17 -0.14 0.00 0.50 0.00 0.00 46.19 43.26 1h4w s LEU 46 CO 0.01 -0.64 0.49 2.30 -1.32 0.00 0.00 176.35 177.19 1h4w n ILE 47 N 5.54 0.00 -3.69 6.68 -5.35 -0.68 -1.19 119.36 120.67 1h4w n ILE 47 Ca 0.05 -0.22 -0.10 0.00 -0.27 0.00 0.00 62.75 62.21 1h4w n ILE 47 Cb 0.48 0.87 -0.04 0.00 -1.74 0.00 0.00 39.64 39.21 1h4w n ILE 47 CO 0.00 0.00 0.00 -0.55 -1.76 0.00 0.00 176.55 174.24 1h4w s SER 48 N -2.38 -0.24 0.54 7.28 0.15 -1.16 -4.62 113.70 113.28 1h4w s SER 48 Ca 0.03 -0.41 0.28 0.00 0.70 0.00 0.00 55.95 56.55 1h4w s SER 48 Cb 0.09 0.52 1.45 0.00 -1.71 0.00 0.00 66.02 66.37 1h4w s SER 48 CO 0.51 -0.95 1.95 -0.33 1.20 0.00 0.00 173.24 175.62 1h4w h GLU 49 N 2.28 0.00 0.00 5.44 3.07 -1.95 -2.57 114.58 120.86 1h4w h GLU 49 Ca -0.31 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.55 1h4w h GLU 49 Cb 1.26 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 29.17 1h4w h GLU 49 CO 0.42 0.00 0.00 0.94 -1.40 0.00 0.00 179.01 178.97 1h4w n GLN 50 N -4.24 2.64 -4.59 2.33 7.27 -1.26 -0.35 117.38 119.18 1h4w n GLN 50 Ca 0.13 -1.40 -0.23 0.00 0.07 0.00 0.00 57.00 55.57 1h4w n GLN 50 Cb 0.74 -0.98 -0.16 0.00 2.41 0.00 0.00 30.24 32.25 1h4w n GLN 50 CO 0.00 0.00 0.00 -1.58 0.07 0.00 0.00 177.06 175.55 1h4w s TRP 51 N -0.90 1.31 -0.01 3.69 0.52 -0.97 -1.09 118.94 121.49 1h4w s TRP 51 Ca 0.00 -0.36 0.07 0.00 0.02 0.00 0.00 56.10 55.83 1h4w s TRP 51 Cb 0.00 -0.91 -0.02 0.00 -1.15 0.00 0.00 33.47 31.39 1h4w s TRP 51 CO 0.00 -0.14 -0.23 0.08 0.02 0.00 0.00 176.95 176.68 1h4w s VAL 52 N 0.15 1.80 -0.12 4.03 1.01 -0.22 -1.69 120.40 125.36 1h4w s VAL 52 Ca -0.04 -1.01 -0.03 0.00 0.00 0.00 0.00 61.98 60.90 1h4w s VAL 52 Cb -0.10 -1.50 -0.03 0.00 0.00 0.00 0.00 36.38 34.74 1h4w s VAL 52 CO 0.01 0.48 0.02 -0.69 0.00 0.00 0.00 175.10 174.92 1h4w s VAL 53 N -0.56 4.42 0.00 2.92 1.01 0.51 -0.60 120.40 128.09 1h4w s VAL 53 Ca 0.09 -0.19 0.00 0.00 0.00 0.00 0.00 61.98 61.87 1h4w s VAL 53 Cb -0.09 -2.90 0.00 0.00 0.00 0.00 0.00 36.38 33.39 1h4w s VAL 53 CO -0.01 0.56 0.00 -0.24 0.00 0.00 0.00 175.10 175.42 1h4w n SER 54 N 2.59 0.00 -4.87 3.32 2.88 -0.09 -0.88 113.62 116.57 1h4w n SER 54 Ca -0.18 -0.77 -0.35 0.00 -1.33 0.00 0.00 58.87 56.23 1h4w n SER 54 Cb 0.53 0.00 -0.05 0.00 -0.75 0.00 0.00 64.21 63.94 1h4w n SER 54 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1h4w s ALA 55 N -1.48 3.81 0.45 -1.46 0.00 -1.26 -0.63 121.76 121.18 1h4w s ALA 55 Ca 0.00 -0.50 0.17 0.00 0.00 0.00 0.00 51.96 51.63 1h4w s ALA 55 Cb 0.00 -2.13 1.10 0.00 0.00 0.00 0.00 23.12 22.09 1h4w s ALA 55 CO 0.00 0.61 2.01 0.00 0.00 0.00 0.00 175.76 178.38 1h4w h ALA 56 N 4.16 1.62 0.00 0.00 0.00 -1.69 -1.65 119.26 121.70 1h4w h ALA 56 Ca -0.51 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.25 1h4w h ALA 56 Cb 1.20 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.97 1h4w h ALA 56 CO 0.64 0.21 0.00 -2.39 0.00 0.00 0.00 179.25 177.72 1h4w n HIS 57 N -4.19 0.00 0.51 0.00 1.44 -1.26 -1.76 115.22 109.97 1h4w n HIS 57 Ca -0.02 0.00 0.10 0.00 -2.01 0.00 0.00 57.72 55.78 1h4w n HIS 57 Cb 0.24 -0.17 0.26 0.00 0.12 0.00 0.00 29.99 30.45 1h4w n HIS 57 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 1h4w s TYR 59 N -1.45 2.59 -0.10 0.00 5.04 -0.72 -5.02 117.35 117.69 1h4w s TYR 59 Ca 0.36 1.08 -0.20 0.00 -2.44 0.00 0.00 57.07 55.87 1h4w s TYR 59 Cb 0.19 -4.05 0.05 0.00 0.35 0.00 0.00 41.96 38.50 1h4w s TYR 59 CO 0.27 -3.16 0.49 0.15 -1.34 0.00 0.00 175.55 171.95 1h4w s LYS 60 N -1.82 0.73 0.22 4.97 1.02 -1.26 -5.07 119.74 118.54 1h4w s LYS 60 Ca 0.55 0.31 -0.07 0.00 0.02 0.00 0.00 55.97 56.78 1h4w s LYS 60 Cb -0.47 0.34 0.32 0.00 -0.52 0.00 0.00 37.83 37.51 1h4w s LYS 60 CO 0.61 -0.17 1.79 1.15 -0.92 0.00 0.00 175.35 177.81 1h4w h THR 61 N 3.86 0.88 -3.32 2.17 2.02 -2.03 -3.40 112.91 113.09 1h4w h THR 61 Ca -0.28 -0.22 -0.66 0.00 0.77 0.00 0.00 66.41 66.02 1h4w h THR 61 Cb 1.17 0.18 -0.33 0.00 -1.74 0.00 0.00 68.15 67.42 1h4w h THR 61 CO 0.30 0.12 -0.87 -0.60 0.37 0.00 0.00 175.52 174.84 1h4w s ARG 62 N -6.06 2.85 -0.03 6.66 6.06 -1.26 -5.02 118.95 122.15 1h4w s ARG 62 Ca -0.13 -0.81 -0.00 0.00 -2.50 0.00 0.00 55.73 52.29 1h4w s ARG 62 Cb 0.18 -2.20 0.03 0.00 0.06 0.00 0.00 34.95 33.02 1h4w s ARG 62 CO 0.76 0.12 0.04 0.42 -2.50 0.00 0.00 175.30 174.15 1h4w s ILE 63 N 0.48 -0.05 -0.19 4.11 1.01 -1.26 -4.81 121.20 120.47 1h4w s ILE 63 Ca -0.16 0.20 -0.07 0.00 0.00 0.00 0.00 60.65 60.62 1h4w s ILE 63 Cb -0.17 -0.10 -0.04 0.00 0.01 0.00 0.00 42.46 42.16 1h4w s ILE 63 CO 0.06 0.08 0.05 -1.58 0.00 0.00 0.00 174.94 173.55 1h4w s GLN 64 N 1.03 3.84 -0.19 2.79 0.74 -0.27 -1.03 119.66 126.57 1h4w s GLN 64 Ca -0.08 -0.41 -0.15 0.00 0.05 0.00 0.00 55.36 54.76 1h4w s GLN 64 Cb -0.12 -3.19 -0.04 0.00 1.10 0.00 0.00 33.01 30.76 1h4w s GLN 64 CO -0.03 0.16 0.37 0.08 -0.55 0.00 0.00 175.29 175.31 1h4w s VAL 65 N 0.67 5.23 -0.29 1.34 1.01 0.87 -0.30 120.40 128.93 1h4w s VAL 65 Ca 0.02 0.66 -0.04 0.00 0.00 0.00 0.00 61.98 62.62 1h4w s VAL 65 Cb -0.13 -3.70 0.03 0.00 0.00 0.00 0.00 36.38 32.57 1h4w s VAL 65 CO 0.02 0.29 0.03 -0.13 0.00 0.00 0.00 175.10 175.30 1h4w s ARG 66 N 1.10 2.82 0.28 2.72 0.52 0.32 -1.01 118.95 125.69 1h4w s ARG 66 Ca 0.18 -1.02 0.07 0.00 -0.52 0.00 0.00 55.73 54.44 1h4w s ARG 66 Cb -0.14 -3.23 -0.03 0.00 0.52 0.00 0.00 34.95 32.06 1h4w s ARG 66 CO 0.07 -0.50 0.25 -0.51 0.02 0.00 0.00 175.30 174.63 1h4w s LEU 67 N 1.38 3.79 -1.33 2.53 1.02 -0.01 -1.49 118.68 124.57 1h4w s LEU 67 Ca -0.00 -0.30 0.00 0.00 0.02 0.00 0.00 54.13 53.84 1h4w s LEU 67 Cb -0.18 -2.35 0.00 0.00 0.02 0.00 0.00 46.19 43.68 1h4w s LEU 67 CO -0.00 -0.15 0.00 0.61 0.02 0.00 0.00 176.35 176.83 1h4w n GLY 69 N -1.27 0.43 3.89 -3.19 0.00 -1.26 -1.33 105.19 102.45 1h4w n GLY 69 Ca -0.06 -0.31 -0.31 0.00 0.00 0.00 0.00 46.02 45.34 1h4w n GLY 69 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1h4w s GLU 70 N -4.14 3.69 0.11 1.61 0.41 -1.26 -3.88 118.70 115.24 1h4w s GLU 70 Ca 0.00 0.07 0.00 0.00 -0.41 0.00 0.00 54.97 54.63 1h4w s GLU 70 Cb 0.00 -2.71 0.00 0.00 -1.78 0.00 0.00 34.13 29.64 1h4w s GLU 70 CO 0.00 0.33 0.00 1.58 -0.49 0.00 0.00 175.26 176.68 1h4w n HIS 71 N -0.31 -0.87 -3.35 1.61 -0.00 -1.26 -4.66 115.22 106.38 1h4w n HIS 71 Ca -0.01 0.15 -0.43 0.00 -0.00 0.00 0.00 57.72 57.43 1h4w n HIS 71 Cb 0.53 0.39 -0.09 0.00 -0.00 0.00 0.00 29.99 30.82 1h4w n HIS 71 CO 0.00 0.00 0.00 1.21 -0.00 0.00 0.00 176.34 177.55 1h4w s ASN 72 N -4.74 6.17 0.00 0.26 3.84 -1.26 -2.11 114.94 117.11 1h4w s ASN 72 Ca 0.00 -0.84 0.19 0.00 0.21 0.00 0.00 52.86 52.41 1h4w s ASN 72 Cb 0.00 -2.21 0.93 0.00 -0.55 0.00 0.00 41.25 39.42 1h4w s ASN 72 CO 0.00 -0.59 1.57 2.30 -2.79 0.00 0.00 177.10 177.59 1h4w n ILE 73 N 5.36 0.45 0.37 -5.21 -5.35 -0.24 -3.01 119.36 111.72 1h4w n ILE 73 Ca -0.09 0.11 0.09 0.00 -0.27 0.00 0.00 62.75 62.59 1h4w n ILE 73 Cb 0.47 -0.81 -0.13 0.00 -1.74 0.00 0.00 39.64 37.43 1h4w n ILE 73 CO 0.00 0.00 0.00 0.29 -1.76 0.00 0.00 176.55 175.08 1h4w n LYS 74 N -1.29 0.76 -5.12 6.28 4.76 -1.26 -4.97 118.16 117.32 1h4w n LYS 74 Ca 0.09 -0.10 -0.29 0.00 -2.87 0.00 0.00 58.31 55.14 1h4w n LYS 74 Cb 0.15 -1.41 -0.16 0.00 -1.84 0.00 0.00 35.03 31.77 1h4w n LYS 74 CO 0.00 0.00 0.00 0.08 -1.37 0.00 0.00 177.40 176.11 1h4w s VAL 75 N -3.04 1.80 -0.10 -0.18 1.01 -1.16 -5.10 120.40 113.62 1h4w s VAL 75 Ca -0.01 -0.96 -0.30 0.00 0.00 0.00 0.00 61.98 60.72 1h4w s VAL 75 Cb 0.13 -1.50 -0.03 0.00 0.00 0.00 0.00 36.38 34.97 1h4w s VAL 75 CO 0.76 0.51 1.29 -0.76 0.00 0.00 0.00 175.10 176.90 1h4w s LEU 76 N -0.37 4.24 -0.01 3.92 1.43 -1.26 -4.73 118.68 121.89 1h4w s LEU 76 Ca 0.04 1.83 0.15 0.00 -1.03 0.00 0.00 54.13 55.12 1h4w s LEU 76 Cb -0.10 -3.55 -0.21 0.00 0.03 0.00 0.00 46.19 42.36 1h4w s LEU 76 CO 0.01 -0.71 0.41 -0.62 0.23 0.00 0.00 176.35 175.67 1h4w n GLU 77 N 5.99 1.03 0.00 1.70 1.02 -1.26 -5.02 120.64 124.10 1h4w n GLU 77 Ca 0.13 -0.09 0.00 0.00 -0.02 0.00 0.00 57.16 57.18 1h4w n GLU 77 Cb 0.45 -1.29 0.00 0.00 -0.02 0.00 0.00 31.44 30.58 1h4w n GLU 77 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1h4w n GLY 78 N 1.56 0.41 0.34 0.62 0.00 -1.26 -4.93 105.19 101.93 1h4w n GLY 78 Ca -0.01 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.05 1h4w n GLY 78 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1h4w n ASN 79 N 0.00 1.81 -4.79 1.61 3.02 -1.26 -5.04 115.26 110.61 1h4w n ASN 79 Ca 0.00 -1.43 -0.33 0.00 -0.03 0.00 0.00 54.58 52.79 1h4w n ASN 79 Cb 0.00 -0.02 0.02 0.00 -0.61 0.00 0.00 39.78 39.17 1h4w n ASN 79 CO 0.00 0.00 0.00 -1.61 -2.62 0.00 0.00 177.26 173.03 1h4w s GLU 80 N -0.71 3.18 -0.12 3.52 8.01 -1.25 -4.48 118.70 126.85 1h4w s GLU 80 Ca 0.10 1.33 -0.03 0.00 0.01 0.00 0.00 54.97 56.38 1h4w s GLU 80 Cb 0.07 -2.01 0.04 0.00 -4.31 0.00 0.00 34.13 27.93 1h4w s GLU 80 CO 0.10 -0.94 0.04 -0.65 0.01 0.00 0.00 175.26 173.82 1h4w s GLN 81 N -3.93 0.36 -0.26 1.61 -0.21 -0.44 -4.98 119.66 111.81 1h4w s GLN 81 Ca 0.66 -0.03 -0.09 0.00 0.02 0.00 0.00 55.36 55.92 1h4w s GLN 81 Cb -0.19 -1.40 -0.04 0.00 1.00 0.00 0.00 33.01 32.39 1h4w s GLN 81 CO 0.36 -0.49 0.13 -0.06 -2.12 0.00 0.00 175.29 173.11 1h4w s PHE 82 N 2.02 3.15 -0.05 0.91 0.08 -1.26 -0.83 117.98 122.00 1h4w s PHE 82 Ca 0.03 -0.16 0.00 0.00 0.12 0.00 0.00 56.93 56.92 1h4w s PHE 82 Cb -0.14 -2.31 0.02 0.00 -0.57 0.00 0.00 43.02 40.02 1h4w s PHE 82 CO -0.06 -0.26 -0.02 0.42 -0.10 0.00 0.00 175.22 175.19 1h4w s ILE 83 N 1.68 0.41 0.46 0.64 1.01 -0.18 -4.99 121.20 120.22 1h4w s ILE 83 Ca 0.07 -0.02 -0.21 0.00 0.00 0.00 0.00 60.65 60.49 1h4w s ILE 83 Cb -0.16 -0.48 -0.09 0.00 0.01 0.00 0.00 42.46 41.75 1h4w s ILE 83 CO 0.07 0.21 1.03 0.20 0.00 0.00 0.00 174.94 176.45 1h4w s ASN 84 N 1.17 6.51 0.20 3.58 0.01 -1.26 -0.09 114.94 125.05 1h4w s ASN 84 Ca -0.07 1.93 -0.29 0.00 -0.71 0.00 0.00 52.86 53.72 1h4w s ASN 84 Cb -0.14 -2.56 -0.08 0.00 0.41 0.00 0.00 41.25 38.88 1h4w s ASN 84 CO -0.01 -0.66 0.90 0.00 -1.51 0.00 0.00 177.10 175.81 1h4w s ALA 85 N -1.92 3.35 -0.19 0.60 0.00 -0.20 -1.20 121.76 122.21 1h4w s ALA 85 Ca 0.64 0.54 0.15 0.00 0.00 0.00 0.00 51.96 53.30 1h4w s ALA 85 Cb -0.17 -3.15 -0.24 0.00 0.00 0.00 0.00 23.12 19.56 1h4w s ALA 85 CO 0.21 0.19 0.09 1.55 0.00 0.00 0.00 175.76 177.81 1h4w n VAL 86 N 1.74 1.42 -3.78 0.00 3.14 0.76 -4.74 118.33 116.87 1h4w n VAL 86 Ca -0.02 -0.82 -0.13 0.00 -2.96 0.00 0.00 64.34 60.41 1h4w n VAL 86 Cb 0.48 -0.63 -0.13 0.00 -1.06 0.00 0.00 33.84 32.50 1h4w n VAL 86 CO 0.00 0.00 0.00 -0.75 -6.46 0.00 0.00 176.83 169.62 1h4w s LYS 87 N -2.50 0.18 -0.18 1.45 2.20 -1.15 -5.01 119.74 114.73 1h4w s LYS 87 Ca -0.12 0.34 0.01 0.00 -0.36 0.00 0.00 55.97 55.84 1h4w s LYS 87 Cb 0.07 -0.02 0.03 0.00 -1.51 0.00 0.00 37.83 36.40 1h4w s LYS 87 CO 0.80 -0.09 -0.17 0.42 -0.36 0.00 0.00 175.35 175.96 1h4w s ILE 88 N 0.62 1.90 -0.28 5.43 1.01 -1.26 -0.50 121.20 128.12 1h4w s ILE 88 Ca -0.04 -0.93 0.01 0.00 0.00 0.00 0.00 60.65 59.69 1h4w s ILE 88 Cb -0.06 -1.79 0.06 0.00 0.01 0.00 0.00 42.46 40.68 1h4w s ILE 88 CO -0.03 0.43 -0.06 -0.63 0.00 0.00 0.00 174.94 174.64 1h4w s ILE 89 N 1.33 2.48 0.41 2.92 1.01 0.72 -4.99 121.20 125.08 1h4w s ILE 89 Ca 0.03 -1.56 -0.13 0.00 0.00 0.00 0.00 60.65 58.98 1h4w s ILE 89 Cb -0.14 -2.46 -0.08 0.00 0.01 0.00 0.00 42.46 39.80 1h4w s ILE 89 CO -0.11 -0.07 0.82 -0.13 0.00 0.00 0.00 174.94 175.44 1h4w s ARG 90 N 1.15 3.89 0.35 2.79 0.52 -1.26 -0.45 118.95 125.94 1h4w s ARG 90 Ca -0.07 0.65 -0.29 0.00 -0.52 0.00 0.00 55.73 55.51 1h4w s ARG 90 Cb -0.20 -2.33 -0.11 0.00 0.52 0.00 0.00 34.95 32.83 1h4w s ARG 90 CO -0.04 -0.04 1.46 -1.58 0.02 0.00 0.00 175.30 175.13 1h4w s HIS 91 N -2.32 2.73 0.43 -0.53 5.65 -0.88 -4.88 115.29 115.49 1h4w s HIS 91 Ca 0.54 1.15 0.16 0.00 0.25 0.00 0.00 55.06 57.17 1h4w s HIS 91 Cb -0.10 -3.95 1.07 0.00 -1.18 0.00 0.00 32.58 28.42 1h4w s HIS 91 CO 0.27 -2.83 1.91 -1.35 -0.65 0.00 0.00 174.74 172.09 1h4w h PRO 92 N 3.50 0.39 -0.60 2.88 0.11 -1.93 -2.07 132.00 134.28 1h4w h PRO 92 Ca -0.50 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.59 1h4w h PRO 92 Cb 1.23 -0.09 0.00 0.00 0.11 0.00 0.00 31.00 32.25 1h4w h PRO 92 CO 0.68 0.26 0.00 1.63 -0.21 0.00 0.00 178.00 180.36 1h4w n LYS 93 N -4.48 4.75 -1.88 1.05 5.02 -1.26 -4.97 118.16 116.38 1h4w n LYS 93 Ca 0.15 -3.05 -0.42 0.00 -2.02 0.00 0.00 58.31 52.97 1h4w n LYS 93 Cb 0.57 -2.23 -0.03 0.00 -0.02 0.00 0.00 35.03 33.32 1h4w n LYS 93 CO 0.00 0.00 0.00 -0.47 -0.52 0.00 0.00 177.40 176.41 1h4w s TYR 94 N -2.67 3.00 -0.34 2.13 5.04 -0.78 -4.62 117.35 119.11 1h4w s TYR 94 Ca 0.53 0.61 -0.02 0.00 -2.44 0.00 0.00 57.07 55.75 1h4w s TYR 94 Cb 0.40 -3.98 0.07 0.00 0.35 0.00 0.00 41.96 38.81 1h4w s TYR 94 CO 0.16 -3.57 0.07 1.21 -1.34 0.00 0.00 175.55 172.08 1h4w s ASN 95 N 1.04 5.01 0.51 4.32 3.04 -0.79 -4.99 114.94 123.09 1h4w s ASN 95 Ca 0.70 -1.56 0.21 0.00 0.04 0.00 0.00 52.86 52.25 1h4w s ASN 95 Cb -0.45 -1.75 1.30 0.00 -1.54 0.00 0.00 41.25 38.81 1h4w s ASN 95 CO 0.34 -0.36 2.02 -0.09 -3.04 0.00 0.00 177.10 175.97 1h4w h ARG 96 N 8.00 0.08 0.21 0.43 2.43 -1.93 0.72 114.38 124.31 1h4w h ARG 96 Ca -0.18 -0.00 -0.32 0.00 -0.81 0.00 0.00 59.98 58.67 1h4w h ARG 96 Cb 1.06 -0.02 0.04 0.00 -0.42 0.00 0.00 29.97 30.62 1h4w h ARG 96 CO 0.59 0.05 -1.40 -0.44 -1.51 0.00 0.00 179.97 177.26 1h4w h ASP 97 N 0.08 0.87 0.00 -3.80 3.32 -1.98 -3.37 116.42 111.54 1h4w h ASP 97 Ca 0.21 -0.89 0.00 0.00 0.02 0.00 0.00 57.03 56.37 1h4w h ASP 97 Cb 0.73 -0.28 0.00 0.00 0.22 0.00 0.00 39.33 40.00 1h4w h ASP 97 CO -0.02 1.68 -1.11 0.35 -1.72 0.00 0.00 179.24 178.42 1h4w n THR 98 N -3.75 0.00 -1.51 0.35 -2.24 -1.09 -4.98 114.28 101.06 1h4w n THR 98 Ca -0.16 -0.17 -0.12 0.00 -2.27 0.00 0.00 64.05 61.33 1h4w n THR 98 Cb 1.06 0.76 -0.04 0.00 -2.10 0.00 0.00 70.33 70.00 1h4w n THR 98 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 1h4w n LEU 99 N -1.61 -1.02 -4.77 3.22 4.77 0.25 -4.98 117.00 112.86 1h4w n LEU 99 Ca 0.02 0.25 -0.39 0.00 -0.03 0.00 0.00 56.01 55.86 1h4w n LEU 99 Cb 0.33 -1.91 -0.02 0.00 -2.33 0.00 0.00 43.42 39.49 1h4w n LEU 99 CO 0.37 -0.56 0.88 -0.62 -1.33 0.00 0.00 177.39 176.13 1h4w s ASP 100 N -2.79 6.63 -1.35 -1.43 3.68 -1.22 -3.11 116.67 117.08 1h4w s ASP 100 Ca 0.00 2.46 -0.05 0.00 2.13 0.00 0.00 52.55 57.09 1h4w s ASP 100 Cb 0.00 -2.63 0.02 0.00 -1.45 0.00 0.00 42.92 38.87 1h4w s ASP 100 CO 0.00 -0.61 0.92 0.59 0.13 0.00 0.00 175.17 176.20 1h4w n ASN 101 N 0.37 -3.17 -4.36 -0.34 3.02 -1.26 -1.89 115.26 107.64 1h4w n ASN 101 Ca 0.03 -0.72 -0.43 0.00 -0.03 0.00 0.00 54.58 53.43 1h4w n ASN 101 Cb 0.45 -4.41 0.00 0.00 -0.61 0.00 0.00 39.78 35.21 1h4w n ASN 101 CO 0.00 0.00 0.00 -0.67 -2.62 0.00 0.00 177.26 173.97 1h4w n ASP 102 N -3.01 4.70 -3.83 6.41 2.03 -1.18 -4.32 116.55 117.34 1h4w n ASP 102 Ca -0.16 -2.91 -0.12 0.00 0.52 0.00 0.00 54.79 52.13 1h4w n ASP 102 Cb 0.62 -1.72 -0.10 0.00 -0.72 0.00 0.00 41.12 39.21 1h4w n ASP 102 CO 0.00 0.00 0.00 -0.51 -1.92 0.00 0.00 177.20 174.77 1h4w s ILE 103 N 3.83 0.07 -0.06 5.18 2.07 -1.26 -3.99 121.20 127.04 1h4w s ILE 103 Ca 0.52 -0.61 -0.17 0.00 -1.41 0.00 0.00 60.65 58.99 1h4w s ILE 103 Cb 0.06 -0.49 0.03 0.00 0.13 0.00 0.00 42.46 42.20 1h4w s ILE 103 CO 0.04 -0.33 0.38 -0.32 -1.91 0.00 0.00 174.94 172.79 1h4w s MET 104 N -1.33 0.66 -0.07 3.50 -2.45 0.20 -2.08 119.30 117.74 1h4w s MET 104 Ca -0.14 0.07 0.02 0.00 -1.25 0.00 0.00 55.69 54.38 1h4w s MET 104 Cb -0.07 0.30 -0.03 0.00 1.25 0.00 0.00 34.83 36.29 1h4w s MET 104 CO 0.02 -0.17 -0.09 -0.51 1.05 0.00 0.00 175.02 175.33 1h4w s LEU 105 N -0.89 3.03 -0.13 4.11 1.43 0.41 -0.91 118.68 125.73 1h4w s LEU 105 Ca -0.10 -0.08 0.01 0.00 -1.03 0.00 0.00 54.13 52.93 1h4w s LEU 105 Cb -0.04 -1.65 0.02 0.00 0.03 0.00 0.00 46.19 44.55 1h4w s LEU 105 CO 0.04 0.35 -0.15 -0.63 0.23 0.00 0.00 176.35 176.19 1h4w s ILE 106 N -0.74 1.57 -0.20 -0.59 1.01 0.23 -0.20 121.20 122.27 1h4w s ILE 106 Ca 0.11 -0.66 -0.12 0.00 0.00 0.00 0.00 60.65 59.99 1h4w s ILE 106 Cb -0.11 -1.45 -0.05 0.00 0.01 0.00 0.00 42.46 40.86 1h4w s ILE 106 CO 0.01 0.46 0.22 -0.75 0.00 0.00 0.00 174.94 174.88 1h4w s LYS 107 N 1.24 4.16 0.35 2.79 2.20 0.34 -1.06 119.74 129.76 1h4w s LYS 107 Ca -0.01 -0.10 -0.25 0.00 -0.36 0.00 0.00 55.97 55.25 1h4w s LYS 107 Cb -0.14 -3.48 -0.10 0.00 -1.51 0.00 0.00 37.83 32.60 1h4w s LYS 107 CO -0.06 0.15 0.95 -0.51 -0.36 0.00 0.00 175.35 175.52 1h4w s LEU 108 N 0.77 4.26 0.54 5.43 1.43 -0.25 -0.17 118.68 130.68 1h4w s LEU 108 Ca 0.11 1.83 0.21 0.00 -1.03 0.00 0.00 54.13 55.25 1h4w s LEU 108 Cb -0.13 -4.12 1.45 0.00 0.03 0.00 0.00 46.19 43.42 1h4w s LEU 108 CO 0.03 -0.15 2.18 0.77 0.23 0.00 0.00 176.35 179.41 1h4w h SER 109 N 2.91 0.00 -5.01 2.29 4.64 -1.45 -3.42 113.55 113.50 1h4w h SER 109 Ca -0.47 0.00 -0.15 0.00 -0.47 0.00 0.00 61.79 60.70 1h4w h SER 109 Cb 1.19 0.00 -0.20 0.00 -0.31 0.00 0.00 62.40 63.08 1h4w h SER 109 CO 0.64 0.01 -0.57 -0.94 -0.87 0.00 0.00 176.83 175.10 1h4w s SER 110 N -6.75 0.14 0.34 4.97 1.04 -1.26 -5.00 113.70 107.17 1h4w s SER 110 Ca -0.05 -0.39 -0.28 0.00 0.48 0.00 0.00 55.95 55.71 1h4w s SER 110 Cb 0.16 0.18 -0.10 0.00 0.10 0.00 0.00 66.02 66.36 1h4w s SER 110 CO 0.63 -0.39 1.27 -2.16 0.98 0.00 0.00 173.24 173.57 1h4w s PRO 111 N -1.74 4.31 0.58 4.02 0.04 -1.26 -4.83 135.00 136.11 1h4w s PRO 111 Ca -0.12 2.13 -0.17 0.00 0.04 0.00 0.00 61.00 62.87 1h4w s PRO 111 Cb -0.07 -3.01 -0.04 0.00 0.04 0.00 0.00 34.50 31.42 1h4w s PRO 111 CO -0.01 -0.19 1.08 0.00 0.04 0.00 0.00 177.00 177.92 1h4w s ALA 112 N -1.18 2.70 -0.30 8.56 0.00 0.53 -4.98 121.76 127.08 1h4w s ALA 112 Ca 0.50 0.55 -0.23 0.00 0.00 0.00 0.00 51.96 52.78 1h4w s ALA 112 Cb -0.38 -3.28 -0.00 0.00 0.00 0.00 0.00 23.12 19.46 1h4w s ALA 112 CO 0.50 -0.80 0.77 0.08 0.00 0.00 0.00 175.76 176.31 1h4w s VAL 113 N -2.21 4.81 -0.11 0.00 1.01 -1.26 -4.90 120.40 117.74 1h4w s VAL 113 Ca 0.67 1.15 -0.27 0.00 0.00 0.00 0.00 61.98 63.52 1h4w s VAL 113 Cb -0.18 -4.13 -0.02 0.00 0.00 0.00 0.00 36.38 32.05 1h4w s VAL 113 CO 0.33 -0.23 0.90 -0.63 0.00 0.00 0.00 175.10 175.46 1h4w s ILE 114 N 2.91 4.86 0.00 2.22 -1.09 -1.26 -4.77 121.20 124.08 1h4w s ILE 114 Ca 0.31 1.82 0.00 0.00 -2.23 0.00 0.00 60.65 60.55 1h4w s ILE 114 Cb -0.14 -4.22 0.00 0.00 -1.58 0.00 0.00 42.46 36.52 1h4w s ILE 114 CO 0.12 0.07 0.00 -0.46 -1.23 0.00 0.00 174.94 173.44 1h4w n ASN 115 N 4.78 0.00 0.22 3.58 0.23 0.16 -4.99 115.26 119.23 1h4w n ASN 115 Ca 0.06 -0.10 0.07 0.00 -0.53 0.00 0.00 54.58 54.07 1h4w n ASN 115 Cb 0.49 0.00 0.49 0.00 -2.08 0.00 0.00 39.78 38.68 1h4w n ASN 115 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1h4w h ALA 116 N 1.49 1.30 -0.01 -2.53 0.00 -2.00 -3.12 119.26 114.39 1h4w h ALA 116 Ca 0.00 -0.25 0.00 0.00 0.00 0.00 0.00 54.91 54.66 1h4w h ALA 116 Cb 0.00 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.75 1h4w h ALA 116 CO 0.00 0.34 -0.40 0.54 0.00 0.00 0.00 179.25 179.73 1h4w n ARG 117 N -3.85 1.54 -3.60 0.00 1.74 -1.26 -4.85 116.66 106.39 1h4w n ARG 117 Ca -0.02 -0.81 -0.25 0.00 -0.77 0.00 0.00 57.85 56.01 1h4w n ARG 117 Cb 0.36 -1.33 -0.17 0.00 -1.02 0.00 0.00 32.46 30.30 1h4w n ARG 117 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 1h4w s VAL 118 N -2.09 -0.11 0.32 1.55 1.01 -1.18 -4.33 120.40 115.57 1h4w s VAL 118 Ca 0.14 -0.15 -0.08 0.00 0.00 0.00 0.00 61.98 61.89 1h4w s VAL 118 Cb 0.14 -0.57 0.01 0.00 0.00 0.00 0.00 36.38 35.96 1h4w s VAL 118 CO 0.47 -0.27 0.54 -0.94 0.00 0.00 0.00 175.10 174.90 1h4w s SER 119 N 2.16 0.41 0.33 3.32 1.04 -0.87 -0.67 113.70 119.42 1h4w s SER 119 Ca 0.02 -1.24 0.04 0.00 0.48 0.00 0.00 55.95 55.26 1h4w s SER 119 Cb -0.16 0.68 -0.02 0.00 0.10 0.00 0.00 66.02 66.62 1h4w s SER 119 CO -0.09 -1.33 0.48 0.42 0.98 0.00 0.00 173.24 173.70 1h4w s THR 120 N -3.20 4.61 0.05 2.02 -4.23 -1.26 -2.99 115.64 110.64 1h4w s THR 120 Ca 0.25 -0.83 0.07 0.00 -1.18 0.00 0.00 61.69 60.00 1h4w s THR 120 Cb -0.02 -3.64 -0.03 0.00 1.34 0.00 0.00 72.50 70.15 1h4w s THR 120 CO 0.15 -0.31 -0.17 -0.51 -0.54 0.00 0.00 174.62 173.24 1h4w s ILE 121 N -2.20 2.85 0.61 2.99 1.10 -0.33 -4.86 121.20 121.36 1h4w s ILE 121 Ca 0.41 -1.21 -0.13 0.00 -0.51 0.00 0.00 60.65 59.21 1h4w s ILE 121 Cb -0.09 -2.22 -0.04 0.00 0.15 0.00 0.00 42.46 40.26 1h4w s ILE 121 CO 0.32 0.30 1.03 -0.44 -2.11 0.00 0.00 174.94 174.04 1h4w s SER 122 N -1.55 6.09 0.37 4.50 0.01 -1.26 -4.53 113.70 117.32 1h4w s SER 122 Ca 0.15 1.54 -0.09 0.00 1.31 0.00 0.00 55.95 58.86 1h4w s SER 122 Cb -0.11 -2.49 -0.06 0.00 0.21 0.00 0.00 66.02 63.57 1h4w s SER 122 CO 0.06 -0.96 0.71 -0.76 0.41 0.00 0.00 173.24 172.70 1h4w s LEU 123 N -4.92 3.91 0.45 2.44 1.43 -1.26 -0.68 118.68 120.05 1h4w s LEU 123 Ca 0.58 1.03 -0.23 0.00 -1.03 0.00 0.00 54.13 54.48 1h4w s LEU 123 Cb -0.12 -3.89 -0.08 0.00 0.03 0.00 0.00 46.19 42.14 1h4w s LEU 123 CO 0.47 -0.33 1.11 -2.16 0.23 0.00 0.00 176.35 175.67 1h4w s PRO 124 N -3.70 3.86 0.00 1.29 0.04 -1.25 -4.71 135.00 130.53 1h4w s PRO 124 Ca 0.49 1.62 0.19 0.00 0.04 0.00 0.00 61.00 63.35 1h4w s PRO 124 Cb -0.10 -2.37 -0.04 0.00 0.04 0.00 0.00 34.50 32.02 1h4w s PRO 124 CO 0.30 -0.43 0.95 0.25 0.04 0.00 0.00 177.00 178.11 1h4w n THR 125 N -0.49 0.00 -3.48 1.26 -2.24 -1.26 -4.89 114.28 103.18 1h4w n THR 125 Ca 0.07 -0.25 -0.13 0.00 -2.27 0.00 0.00 64.05 61.47 1h4w n THR 125 Cb 0.49 1.19 -0.04 0.00 -2.10 0.00 0.00 70.33 69.88 1h4w n THR 125 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1h4w s ALA 127 N -2.31 -1.73 0.85 6.98 0.00 -1.26 -5.17 121.76 119.12 1h4w s ALA 127 Ca 0.15 0.96 -0.11 0.00 0.00 0.00 0.00 51.96 52.95 1h4w s ALA 127 Cb 0.15 0.36 0.11 0.00 0.00 0.00 0.00 23.12 23.74 1h4w s ALA 127 CO 0.54 -0.58 1.14 -2.14 0.00 0.00 0.00 175.76 174.73 1h4w s PRO 128 N -2.57 1.49 0.35 0.00 0.02 -1.26 -4.91 135.00 128.12 1h4w s PRO 128 Ca -0.02 1.50 -0.28 0.00 0.02 0.00 0.00 61.00 62.22 1h4w s PRO 128 Cb -0.01 -1.78 -0.10 0.00 0.02 0.00 0.00 34.50 32.63 1h4w s PRO 128 CO -0.04 -2.28 1.34 -1.25 -0.33 0.00 0.00 177.00 174.45 1h4w s PRO 129 N -4.58 4.26 -0.15 5.54 0.04 -1.26 -5.00 135.00 133.84 1h4w s PRO 129 Ca 0.67 2.28 -0.06 0.00 0.04 0.00 0.00 61.00 63.93 1h4w s PRO 129 Cb -0.23 -3.01 -0.04 0.00 0.04 0.00 0.00 34.50 31.27 1h4w s PRO 129 CO 0.55 -0.29 0.05 0.00 0.04 0.00 0.00 177.00 177.34 1h4w s ALA 130 N -1.15 3.39 0.25 8.56 0.00 -1.26 -5.06 121.76 126.49 1h4w s ALA 130 Ca 0.51 -0.75 -0.30 0.00 0.00 0.00 0.00 51.96 51.41 1h4w s ALA 130 Cb -0.41 -1.79 -0.14 0.00 0.00 0.00 0.00 23.12 20.78 1h4w s ALA 130 CO 0.54 0.32 1.25 0.00 0.00 0.00 0.00 175.76 177.87 1h4w n ALA 132 N 3.07 0.45 0.00 0.00 0.00 -1.26 -1.83 120.51 120.94 1h4w n ALA 132 Ca -0.17 0.41 0.00 0.00 0.00 0.00 0.00 53.44 53.67 1h4w n ALA 132 Cb 0.53 -2.16 0.00 0.00 0.00 0.00 0.00 19.45 17.82 1h4w n ALA 132 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1h4w n GLY 133 N 1.68 2.06 3.74 0.00 0.00 0.12 -4.95 105.19 107.84 1h4w n GLY 133 Ca 0.11 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.72 1h4w n GLY 133 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1h4w s THR 134 N -2.41 3.27 -0.04 2.61 2.01 -0.76 -4.69 115.64 115.64 1h4w s THR 134 Ca 0.00 1.10 -0.24 0.00 0.31 0.00 0.00 61.69 62.87 1h4w s THR 134 Cb 0.00 -3.70 -0.04 0.00 0.01 0.00 0.00 72.50 68.77 1h4w s THR 134 CO 0.00 0.19 0.71 -0.70 -0.69 0.00 0.00 174.62 174.13 1h4w s GLU 135 N -0.51 4.44 0.30 4.92 2.12 -1.26 -1.19 118.70 127.52 1h4w s GLU 135 Ca 0.53 0.92 0.05 0.00 0.36 0.00 0.00 54.97 56.83 1h4w s GLU 135 Cb -0.35 -3.42 -0.06 0.00 0.26 0.00 0.00 34.13 30.56 1h4w s GLU 135 CO 0.40 0.13 -0.01 0.00 -0.54 0.00 0.00 175.26 175.24 1h4w s LEU 137 N -3.46 2.50 -0.05 0.00 2.96 0.40 -1.14 118.68 119.89 1h4w s LEU 137 Ca 0.32 -0.50 0.02 0.00 -0.22 0.00 0.00 54.13 53.75 1h4w s LEU 137 Cb 0.06 -1.59 -0.03 0.00 0.50 0.00 0.00 46.19 45.13 1h4w s LEU 137 CO 0.13 0.03 -0.10 -0.63 -1.32 0.00 0.00 176.35 174.45 1h4w s ILE 138 N 1.17 3.40 0.05 6.68 1.01 0.11 -1.35 121.20 132.28 1h4w s ILE 138 Ca 0.02 -0.62 -0.07 0.00 0.00 0.00 0.00 60.65 59.97 1h4w s ILE 138 Cb -0.14 -2.37 -0.01 0.00 0.01 0.00 0.00 42.46 39.95 1h4w s ILE 138 CO -0.05 0.58 0.14 -0.94 0.00 0.00 0.00 174.94 174.67 1h4w s SER 139 N -0.83 0.14 0.00 3.58 1.04 -1.22 -1.01 113.70 115.40 1h4w s SER 139 Ca 0.12 -0.55 0.00 0.00 0.48 0.00 0.00 55.95 56.00 1h4w s SER 139 Cb -0.11 0.28 0.00 0.00 0.10 0.00 0.00 66.02 66.29 1h4w s SER 139 CO 0.02 -0.59 0.00 0.61 0.98 0.00 0.00 173.24 174.25 1h4w n GLY 140 N 0.46 0.15 1.45 7.32 0.00 -0.70 -4.46 105.19 109.42 1h4w n GLY 140 Ca -0.17 -1.08 -0.08 0.00 0.00 0.00 0.00 46.02 44.68 1h4w n GLY 140 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 1h4w n TRP 141 N -0.56 1.65 -1.75 1.61 8.01 -1.26 -1.54 117.44 123.59 1h4w n TRP 141 Ca 0.00 -1.55 -0.30 0.00 -1.31 0.00 0.00 57.50 54.34 1h4w n TRP 141 Cb 0.00 -0.60 0.20 0.00 -2.01 0.00 0.00 31.31 28.91 1h4w n TRP 141 CO 0.00 0.00 0.00 0.20 -1.01 0.00 0.00 177.69 176.88 1h4w s GLY 142 N -2.06 1.75 0.31 6.99 0.00 -1.25 -4.39 107.32 108.66 1h4w s GLY 142 Ca 0.48 -1.19 -0.28 0.00 0.00 0.00 0.00 44.72 43.73 1h4w s GLY 142 CO 0.04 -0.37 1.21 -2.01 0.00 0.00 0.00 173.10 171.97 1h4w n ASN 143 N -4.01 2.27 -0.85 1.64 2.85 -0.17 -3.03 115.26 113.96 1h4w n ASN 143 Ca 0.15 1.19 0.08 0.00 -0.11 0.00 0.00 54.58 55.90 1h4w n ASN 143 Cb 0.59 -1.41 0.17 0.00 1.24 0.00 0.00 39.78 40.37 1h4w n ASN 143 CO 0.00 0.00 0.00 0.35 -2.11 0.00 0.00 177.26 175.50 1h4w n THR 144 N 0.49 0.64 -4.34 -0.44 -2.24 -0.56 -1.18 114.28 106.66 1h4w n THR 144 Ca 0.07 -0.82 -0.26 0.00 -2.27 0.00 0.00 64.05 60.76 1h4w n THR 144 Cb 0.34 0.80 -0.13 0.00 -2.10 0.00 0.00 70.33 69.24 1h4w n THR 144 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 1h4w s LEU 145 N -1.14 2.32 0.33 3.22 1.43 -1.26 -4.44 118.68 119.14 1h4w s LEU 145 Ca 0.29 -0.73 0.18 0.00 -1.03 0.00 0.00 54.13 52.84 1h4w s LEU 145 Cb 0.17 -1.06 0.16 0.00 0.03 0.00 0.00 46.19 45.49 1h4w s LEU 145 CO 0.23 0.12 1.50 0.28 0.23 0.00 0.00 176.35 178.71 1h4w h SER 146 N 3.92 0.00 -3.76 2.29 0.02 -1.95 -3.45 113.55 110.62 1h4w h SER 146 Ca -0.48 0.00 -0.25 0.00 -0.84 0.00 0.00 61.79 60.22 1h4w h SER 146 Cb 1.18 0.00 -0.28 0.00 0.14 0.00 0.00 62.40 63.44 1h4w h SER 146 CO 0.40 0.34 -0.73 -0.36 -1.14 0.00 0.00 176.83 175.34 1h4w s PHE 147 N -3.05 0.08 0.00 3.45 0.40 -1.26 -4.51 117.98 113.09 1h4w s PHE 147 Ca 0.05 -0.02 0.00 0.00 -0.60 0.00 0.00 56.93 56.36 1h4w s PHE 147 Cb 0.07 -0.05 0.00 0.00 0.51 0.00 0.00 43.02 43.54 1h4w s PHE 147 CO 0.72 -0.00 0.00 0.41 0.70 0.00 0.00 175.22 177.05 1h4w n GLY 148 N 3.05 -1.87 3.12 4.36 0.00 -1.26 -4.94 105.19 107.65 1h4w n GLY 148 Ca -0.12 -1.40 -0.12 0.00 0.00 0.00 0.00 46.02 44.37 1h4w n GLY 148 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1h4w s ALA 149 N -1.03 -0.65 -0.25 4.61 0.00 -1.26 -4.78 121.76 118.40 1h4w s ALA 149 Ca 0.00 0.94 -0.02 0.00 0.00 0.00 0.00 51.96 52.87 1h4w s ALA 149 Cb 0.00 -0.57 0.11 0.00 0.00 0.00 0.00 23.12 22.66 1h4w s ALA 149 CO 0.00 -0.17 0.24 0.34 0.00 0.00 0.00 175.76 176.17 1h4w s ASP 150 N 0.78 1.81 -0.25 0.00 -1.08 -1.26 -5.02 116.67 111.66 1h4w s ASP 150 Ca -0.05 -0.61 -0.14 0.00 -0.52 0.00 0.00 52.55 51.23 1h4w s ASP 150 Cb -0.06 0.34 -0.04 0.00 -1.46 0.00 0.00 42.92 41.69 1h4w s ASP 150 CO -0.05 -0.37 0.34 -0.31 0.52 0.00 0.00 175.17 175.30 1h4w s TYR 151 N 2.31 3.29 0.52 -5.34 2.02 -1.26 -1.50 117.35 117.39 1h4w s TYR 151 Ca 0.08 0.43 -0.18 0.00 -0.37 0.00 0.00 57.07 57.03 1h4w s TYR 151 Cb -0.15 -2.51 -0.07 0.00 -0.40 0.00 0.00 41.96 38.83 1h4w s TYR 151 CO -0.25 -0.12 1.02 -1.25 -1.57 0.00 0.00 175.55 173.38 1h4w s PRO 152 N 1.69 3.74 0.03 -1.71 0.04 -1.26 -4.99 135.00 132.55 1h4w s PRO 152 Ca 0.15 1.20 0.01 0.00 0.04 0.00 0.00 61.00 62.39 1h4w s PRO 152 Cb -0.15 -2.10 -0.26 0.00 0.04 0.00 0.00 34.50 32.04 1h4w s PRO 152 CO 0.09 -0.46 0.97 -0.44 0.04 0.00 0.00 177.00 177.20 1h4w h ASP 153 N 1.13 0.25 -2.96 6.66 3.32 -1.94 -3.47 116.42 119.42 1h4w h ASP 153 Ca -0.48 -0.33 -0.61 0.00 0.02 0.00 0.00 57.03 55.63 1h4w h ASP 153 Cb 1.21 -0.08 -0.04 0.00 0.22 0.00 0.00 39.33 40.63 1h4w h ASP 153 CO 0.59 1.27 -0.41 -1.61 -1.72 0.00 0.00 179.24 177.36 1h4w s GLU 154 N -2.64 3.54 0.21 3.56 2.02 -1.26 -1.08 118.70 123.04 1h4w s GLU 154 Ca -0.05 -0.20 -0.31 0.00 0.02 0.00 0.00 54.97 54.42 1h4w s GLU 154 Cb 0.08 -3.01 -0.11 0.00 0.10 0.00 0.00 34.13 31.18 1h4w s GLU 154 CO 0.85 0.60 1.64 -1.17 0.02 0.00 0.00 175.26 177.19 1h4w s LEU 155 N -2.19 4.37 0.06 1.80 2.96 -0.90 -4.84 118.68 119.93 1h4w s LEU 155 Ca 0.33 2.79 0.02 0.00 -0.22 0.00 0.00 54.13 57.05 1h4w s LEU 155 Cb -0.13 -3.60 -0.04 0.00 0.50 0.00 0.00 46.19 42.92 1h4w s LEU 155 CO 0.22 -0.90 0.08 -0.54 -1.32 0.00 0.00 176.35 173.88 1h4w s LYS 156 N 0.87 2.94 0.12 1.98 -0.14 -0.59 -1.45 119.74 123.47 1h4w s LYS 156 Ca 0.71 -0.64 0.09 0.00 -1.36 0.00 0.00 55.97 54.77 1h4w s LYS 156 Cb -0.47 -2.76 -0.04 0.00 -1.68 0.00 0.00 37.83 32.88 1h4w s LYS 156 CO 0.34 0.58 -0.23 0.00 -0.76 0.00 0.00 175.35 175.29 1h4w s LEU 158 N -2.03 -0.15 -0.24 0.00 2.96 -0.18 -0.76 118.68 118.28 1h4w s LEU 158 Ca 0.10 0.84 -0.12 0.00 -0.22 0.00 0.00 54.13 54.73 1h4w s LEU 158 Cb -0.10 1.21 -0.05 0.00 0.50 0.00 0.00 46.19 47.76 1h4w s LEU 158 CO 0.05 -0.20 0.22 -1.81 -1.32 0.00 0.00 176.35 173.29 1h4w s ASP 159 N 1.69 6.16 0.00 3.68 1.01 -1.26 -0.71 116.67 127.25 1h4w s ASP 159 Ca -0.07 0.17 -0.12 0.00 0.71 0.00 0.00 52.55 53.24 1h4w s ASP 159 Cb -0.10 -2.13 0.01 0.00 1.01 0.00 0.00 42.92 41.71 1h4w s ASP 159 CO -0.12 0.01 0.24 0.00 0.21 0.00 0.00 175.17 175.51 1h4w s ALA 160 N 1.27 -0.58 0.23 5.23 0.00 -0.29 -4.95 121.76 122.66 1h4w s ALA 160 Ca 0.10 0.09 -0.08 0.00 0.00 0.00 0.00 51.96 52.06 1h4w s ALA 160 Cb -0.14 0.13 -0.07 0.00 0.00 0.00 0.00 23.12 23.04 1h4w s ALA 160 CO 0.06 -0.26 0.53 -1.25 0.00 0.00 0.00 175.76 174.84 1h4w s PRO 161 N -1.56 3.76 0.17 0.00 0.04 -1.26 -0.14 135.00 136.01 1h4w s PRO 161 Ca -0.13 0.20 -0.30 0.00 0.04 0.00 0.00 61.00 60.81 1h4w s PRO 161 Cb -0.05 -2.67 -0.08 0.00 0.04 0.00 0.00 34.50 31.74 1h4w s PRO 161 CO 0.02 0.32 1.20 0.08 0.04 0.00 0.00 177.00 178.66 1h4w s VAL 162 N -1.84 3.63 0.43 -0.36 1.01 -0.33 -1.76 120.40 121.17 1h4w s VAL 162 Ca 0.46 1.34 0.02 0.00 0.00 0.00 0.00 61.98 63.80 1h4w s VAL 162 Cb -0.11 -3.86 -0.00 0.00 0.00 0.00 0.00 36.38 32.41 1h4w s VAL 162 CO 0.23 0.20 0.63 -0.76 0.00 0.00 0.00 175.10 175.40 1h4w s LEU 163 N -0.07 3.71 0.58 3.92 1.43 -0.09 -0.70 118.68 127.47 1h4w s LEU 163 Ca 0.54 0.20 -0.16 0.00 -1.03 0.00 0.00 54.13 53.67 1h4w s LEU 163 Cb -0.32 -3.08 -0.04 0.00 0.03 0.00 0.00 46.19 42.77 1h4w s LEU 163 CO 0.36 -0.64 1.05 0.42 0.23 0.00 0.00 176.35 177.76 1h4w s THR 164 N -2.48 3.89 0.49 5.49 -4.23 -1.26 -4.63 115.64 112.91 1h4w s THR 164 Ca 0.48 0.90 0.18 0.00 -1.18 0.00 0.00 61.69 62.06 1h4w s THR 164 Cb -0.10 -3.42 0.24 0.00 1.34 0.00 0.00 72.50 70.56 1h4w s THR 164 CO 0.37 -0.53 2.08 1.56 -0.54 0.00 0.00 174.62 177.56 1h4w h GLN 165 N 0.50 0.00 0.26 3.99 1.08 -1.98 -1.72 115.11 117.24 1h4w h GLN 165 Ca -0.47 0.00 -0.01 0.00 -1.45 0.00 0.00 58.65 56.72 1h4w h GLN 165 Cb 1.22 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.65 1h4w h GLN 165 CO 0.58 0.09 -0.12 0.00 -0.95 0.00 0.00 178.83 178.43 1h4w h ALA 166 N 1.91 -0.35 -0.77 3.87 0.00 -1.99 -0.32 119.26 121.60 1h4w h ALA 166 Ca -0.00 -0.08 -0.03 0.00 0.00 0.00 0.00 54.91 54.79 1h4w h ALA 166 Cb 0.18 0.13 -0.04 0.00 0.00 0.00 0.00 17.79 18.07 1h4w h ALA 166 CO 0.01 -0.69 0.35 0.93 0.00 0.00 0.00 179.25 179.86 1h4w h GLU 167 N -0.37 1.11 0.04 0.00 5.08 -1.81 -1.47 114.58 117.17 1h4w h GLU 167 Ca -0.04 -0.17 -0.00 0.00 -1.00 0.00 0.00 59.36 58.16 1h4w h GLU 167 Cb 0.28 -0.20 0.00 0.00 0.50 0.00 0.00 28.75 29.33 1h4w h GLU 167 CO 0.06 0.87 -0.02 0.00 -1.00 0.00 0.00 179.01 178.92 1h4w h LYS 169 N -0.12 0.55 -0.16 0.00 1.57 -0.91 -2.29 116.57 115.21 1h4w h LYS 169 Ca -0.01 -0.15 -0.07 0.00 -1.87 0.00 0.00 60.65 58.55 1h4w h LYS 169 Cb 0.10 -0.06 -0.01 0.00 0.08 0.00 0.00 32.23 32.34 1h4w h LYS 169 CO 0.01 0.63 -0.23 0.00 -0.57 0.00 0.00 179.45 179.29 1h4w h ALA 170 N 1.41 1.32 0.01 3.86 0.00 -1.00 -1.85 119.26 123.01 1h4w h ALA 170 Ca 0.10 -0.29 -0.20 0.00 0.00 0.00 0.00 54.91 54.52 1h4w h ALA 170 Cb 0.45 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.13 1h4w h ALA 170 CO 0.02 0.46 -0.90 0.77 0.00 0.00 0.00 179.25 179.61 1h4w h SER 171 N 0.26 0.17 -2.08 0.00 0.02 -0.89 -3.37 113.55 107.65 1h4w h SER 171 Ca 0.04 -0.15 -0.57 0.00 -0.84 0.00 0.00 61.79 60.28 1h4w h SER 171 Cb 0.55 -0.05 -0.40 0.00 0.14 0.00 0.00 62.40 62.64 1h4w h SER 171 CO 0.04 0.98 -0.90 -1.22 -1.14 0.00 0.00 176.83 174.59 1h4w n TYR 172 N -3.59 1.38 -1.64 3.45 4.01 -0.90 -4.91 117.16 114.95 1h4w n TYR 172 Ca -0.03 -3.82 -0.54 0.00 -0.16 0.00 0.00 57.90 53.35 1h4w n TYR 172 Cb 0.83 -0.44 -0.06 0.00 -0.31 0.00 0.00 39.34 39.36 1h4w n TYR 172 CO 0.00 0.00 0.00 -2.30 -0.46 0.00 0.00 176.86 174.10 1h4w n PRO 173 N 1.02 1.17 -1.45 -0.72 -0.02 -0.72 -1.72 135.00 132.57 1h4w n PRO 173 Ca 0.25 0.43 -0.15 0.00 -2.02 0.00 0.00 63.50 62.00 1h4w n PRO 173 Cb 0.49 -2.09 -0.07 0.00 -0.02 0.00 0.00 33.50 31.82 1h4w n PRO 173 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1h4w n GLY 174 N 3.26 1.55 0.00 -1.23 0.00 -1.26 -4.83 105.19 102.68 1h4w n GLY 174 Ca 0.22 -0.25 0.00 0.00 0.00 0.00 0.00 46.02 45.98 1h4w n GLY 174 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1h4w n LYS 175 N -2.44 5.61 -3.30 1.61 5.02 -0.70 -5.01 118.16 118.96 1h4w n LYS 175 Ca -0.15 0.00 -0.39 0.00 -2.02 0.00 0.00 58.31 55.74 1h4w n LYS 175 Cb 0.52 -0.47 -0.08 0.00 -0.02 0.00 0.00 35.03 34.98 1h4w n LYS 175 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 1h4w s ILE 176 N -0.93 5.12 0.49 -0.18 -1.09 -1.24 -5.04 121.20 118.32 1h4w s ILE 176 Ca 0.00 0.79 0.07 0.00 -2.23 0.00 0.00 60.65 59.28 1h4w s ILE 176 Cb 0.00 -3.78 0.07 0.00 -1.58 0.00 0.00 42.46 37.17 1h4w s ILE 176 CO 0.00 0.14 0.62 0.35 -1.23 0.00 0.00 174.94 174.82 1h4w n THR 177 N 4.95 0.00 0.33 2.92 -2.24 -1.26 -5.00 114.28 113.98 1h4w n THR 177 Ca -0.06 -1.68 0.14 0.00 -2.27 0.00 0.00 64.05 60.18 1h4w n THR 177 Cb 0.50 -0.50 0.61 0.00 -2.10 0.00 0.00 70.33 68.85 1h4w n THR 177 CO 0.00 0.00 0.00 0.78 -0.57 0.00 0.00 175.07 175.28 1h4w h ASN 178 N 0.17 0.00 -0.17 3.42 2.35 -2.03 -2.63 115.58 116.69 1h4w h ASN 178 Ca -0.24 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.51 1h4w h ASN 178 Cb 1.06 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.43 1h4w h ASN 178 CO 0.35 0.00 0.00 -1.54 -1.65 0.00 0.00 177.43 174.59 1h4w n SER 179 N -2.57 1.98 -4.45 5.81 3.41 -1.26 -4.91 113.62 111.63 1h4w n SER 179 Ca 0.01 -1.74 -0.28 0.00 -0.26 0.00 0.00 58.87 56.60 1h4w n SER 179 Cb 0.22 -0.11 -0.12 0.00 -0.26 0.00 0.00 64.21 63.95 1h4w n SER 179 CO 0.00 0.00 0.00 -0.04 -0.16 0.00 0.00 175.04 174.84 1h4w s MET 180 N -1.79 1.63 0.06 4.33 -1.94 -0.99 -0.29 119.30 120.31 1h4w s MET 180 Ca 0.34 -1.38 -0.13 0.00 -1.71 0.00 0.00 55.69 52.80 1h4w s MET 180 Cb 0.19 -1.96 0.02 0.00 2.01 0.00 0.00 34.83 35.09 1h4w s MET 180 CO 0.28 0.43 0.30 -0.59 -0.01 0.00 0.00 175.02 175.43 1h4w s PHE 181 N -1.45 -0.08 0.01 -0.03 -0.71 -0.33 -4.82 117.98 110.57 1h4w s PHE 181 Ca 0.19 -0.12 0.01 0.00 -1.04 0.00 0.00 56.93 55.97 1h4w s PHE 181 Cb -0.09 0.10 -0.04 0.00 -1.21 0.00 0.00 43.02 41.78 1h4w s PHE 181 CO 0.10 -0.54 0.05 0.00 -1.34 0.00 0.00 175.22 173.49 1h4w s VAL 183 N -1.18 0.01 -5.00 0.00 1.01 -0.99 -0.91 120.40 113.34 1h4w s VAL 183 Ca 0.22 0.04 0.00 0.00 0.00 0.00 0.00 61.98 62.24 1h4w s VAL 183 Cb -0.12 -0.04 0.00 0.00 0.00 0.00 0.00 36.38 36.22 1h4w s VAL 183 CO 0.13 0.03 0.00 0.61 0.00 0.00 0.00 175.10 175.87 1h4w n GLY 184 N 3.32 0.64 2.90 4.51 0.00 -0.72 -2.82 105.19 113.01 1h4w n GLY 184 Ca -0.16 -1.55 -0.22 0.00 0.00 0.00 0.00 46.02 44.10 1h4w n GLY 184 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1h4w s PHE 184 N -3.88 0.95 0.42 1.61 0.40 -1.26 -4.37 117.98 111.85 1h4w s PHE 184 Ca 0.00 -0.33 0.28 0.00 -0.60 0.00 0.00 56.93 56.28 1h4w s PHE 184 Cb 0.00 -0.83 1.49 0.00 0.51 0.00 0.00 43.02 44.19 1h4w s PHE 184 CO 0.00 -0.27 2.09 -0.07 0.70 0.00 0.00 175.22 177.66 1h4w h LEU 185 N 7.47 0.00 -0.11 -0.37 3.38 -1.96 -1.40 115.31 122.32 1h4w h LEU 185 Ca -0.32 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.65 1h4w h LEU 185 Cb 1.15 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.90 1h4w h LEU 185 CO 0.43 0.11 0.00 -1.84 0.09 0.00 0.00 178.44 177.22 1h4w n GLU 186 N -3.62 0.10 0.00 1.13 0.00 -1.26 0.26 120.64 117.25 1h4w n GLU 186 Ca -0.02 0.18 0.00 0.00 0.00 0.00 0.00 57.16 57.32 1h4w n GLU 186 Cb 0.23 -1.64 0.00 0.00 0.00 0.00 0.00 31.44 30.03 1h4w n GLU 186 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 1h4w n GLY 187 N 0.88 -2.14 1.40 -1.84 0.00 -0.53 -4.50 105.19 98.46 1h4w n GLY 187 Ca 0.05 -1.45 0.00 0.00 0.00 0.00 0.00 46.02 44.62 1h4w n GLY 187 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1h4w n GLY 188 N -0.16 2.87 2.88 -0.02 0.00 -0.04 -4.90 105.19 105.81 1h4w n GLY 188 Ca 0.00 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.80 1h4w n GLY 188 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1h4w s LYS 188 N -0.06 0.99 0.05 1.61 1.02 -1.26 -3.80 119.74 118.28 1h4w s LYS 188 Ca 0.00 -0.11 -0.28 0.00 0.02 0.00 0.00 55.97 55.60 1h4w s LYS 188 Cb 0.00 -1.07 0.10 0.00 -0.52 0.00 0.00 37.83 36.34 1h4w s LYS 188 CO 0.00 -0.16 1.14 0.34 -0.92 0.00 0.00 175.35 175.75 1h4w s ASP 189 N 1.32 -0.11 0.74 2.83 2.15 -0.80 -4.33 116.67 118.47 1h4w s ASP 189 Ca -0.04 -0.24 -0.03 0.00 0.43 0.00 0.00 52.55 52.67 1h4w s ASP 189 Cb -0.14 0.30 0.13 0.00 -0.30 0.00 0.00 42.92 42.91 1h4w s ASP 189 CO -0.02 -0.56 1.02 -0.94 -0.17 0.00 0.00 175.17 174.50 1h4w s SER 190 N -2.94 4.27 0.05 -0.34 1.04 -1.26 -0.28 113.70 114.24 1h4w s SER 190 Ca 0.13 -0.22 -0.02 0.00 0.48 0.00 0.00 55.95 56.32 1h4w s SER 190 Cb 0.02 -0.16 0.01 0.00 0.10 0.00 0.00 66.02 65.98 1h4w s SER 190 CO -0.01 -1.92 0.10 0.00 0.98 0.00 0.00 173.24 172.39 1h4w n GLN 192 N -0.07 1.21 -0.94 0.00 1.13 -1.26 -1.04 117.38 116.41 1h4w n GLN 192 Ca -0.01 0.43 0.00 0.00 -1.94 0.00 0.00 57.00 55.48 1h4w n GLN 192 Cb 0.08 -1.95 0.00 0.00 0.11 0.00 0.00 30.24 28.48 1h4w n GLN 192 CO 0.00 0.00 0.00 0.54 -1.44 0.00 0.00 177.06 176.16 1h4w n ARG 193 N 1.82 -0.05 0.06 -1.09 1.74 -1.26 -1.00 116.66 116.88 1h4w n ARG 193 Ca 0.15 0.01 0.11 0.00 -0.77 0.00 0.00 57.85 57.36 1h4w n ARG 193 Cb 0.25 -2.87 0.01 0.00 -1.02 0.00 0.00 32.46 28.83 1h4w n ARG 193 CO 0.00 0.00 0.00 -0.25 -1.52 0.00 0.00 177.63 175.86 1h4w n ASP 194 N -0.02 0.66 -4.47 0.55 8.00 -0.20 -3.93 116.55 117.13 1h4w n ASP 194 Ca 0.00 0.11 -0.51 0.00 0.71 0.00 0.00 54.79 55.10 1h4w n ASP 194 Cb 0.01 0.69 -0.05 0.00 -0.02 0.00 0.00 41.12 41.76 1h4w n ASP 194 CO 0.00 0.00 0.00 -1.20 -0.39 0.00 0.00 177.20 175.61 1h4w n SER 195 N -2.35 -0.32 0.00 -2.24 7.64 -1.25 -1.00 113.62 114.11 1h4w n SER 195 Ca 0.01 1.14 0.00 0.00 1.01 0.00 0.00 58.87 61.03 1h4w n SER 195 Cb 0.50 -1.00 0.00 0.00 -1.01 0.00 0.00 64.21 62.70 1h4w n SER 195 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1h4w n GLY 196 N 1.81 2.42 3.68 0.23 0.00 0.28 0.04 105.19 113.64 1h4w n GLY 196 Ca 0.18 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.91 1h4w n GLY 196 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1h4w s GLY 197 N -1.88 1.58 0.34 -0.02 0.00 -0.17 -3.37 107.32 103.80 1h4w s GLY 197 Ca 0.00 -0.60 -0.11 0.00 0.00 0.00 0.00 44.72 44.00 1h4w s GLY 197 CO 0.00 0.08 0.70 2.56 0.00 0.00 0.00 173.10 176.44 1h4w s PRO 198 N -5.19 3.83 -0.25 2.90 0.04 -1.26 -1.07 135.00 134.00 1h4w s PRO 198 Ca 0.67 0.44 -0.00 0.00 0.04 0.00 0.00 61.00 62.15 1h4w s PRO 198 Cb -0.15 -2.47 0.07 0.00 0.04 0.00 0.00 34.50 31.99 1h4w s PRO 198 CO 0.56 0.11 0.01 0.08 0.04 0.00 0.00 177.00 177.80 1h4w s VAL 199 N -2.13 1.23 -0.17 -0.36 1.01 -0.70 -3.42 120.40 115.86 1h4w s VAL 199 Ca 0.51 -1.21 -0.04 0.00 0.00 0.00 0.00 61.98 61.24 1h4w s VAL 199 Cb -0.10 -1.68 -0.03 0.00 0.00 0.00 0.00 36.38 34.57 1h4w s VAL 199 CO 0.25 -0.30 -0.03 -0.69 0.00 0.00 0.00 175.10 174.33 1h4w s VAL 200 N 1.50 3.86 -0.07 2.92 1.01 -0.46 -1.21 120.40 127.96 1h4w s VAL 200 Ca 0.00 -0.36 0.01 0.00 0.00 0.00 0.00 61.98 61.63 1h4w s VAL 200 Cb -0.18 -2.70 0.02 0.00 0.00 0.00 0.00 36.38 33.52 1h4w s VAL 200 CO -0.11 0.48 -0.08 0.00 0.00 0.00 0.00 175.10 175.38 1h4w n ASN 202 N 4.18 -4.39 0.00 0.00 5.03 -1.26 -1.77 115.26 117.04 1h4w n ASN 202 Ca -0.21 -0.76 0.00 0.00 0.87 0.00 0.00 54.58 54.49 1h4w n ASN 202 Cb 0.51 -4.06 0.00 0.00 -1.02 0.00 0.00 39.78 35.21 1h4w n ASN 202 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1h4w n GLY 203 N -1.71 0.35 3.32 7.41 0.00 -1.26 -5.01 105.19 108.29 1h4w n GLY 203 Ca -0.02 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.74 1h4w n GLY 203 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1h4w s GLN 204 N -0.71 1.27 -0.73 1.61 -0.21 -0.73 -4.11 119.66 116.05 1h4w s GLN 204 Ca 0.00 -1.20 -0.27 0.00 0.02 0.00 0.00 55.36 53.91 1h4w s GLN 204 Cb 0.00 -1.59 0.03 0.00 1.00 0.00 0.00 33.01 32.45 1h4w s GLN 204 CO 0.00 0.38 1.31 -1.17 -2.12 0.00 0.00 175.29 173.69 1h4w s LEU 209 N -1.86 3.17 -0.04 2.90 2.96 0.15 -1.38 118.68 124.58 1h4w s LEU 209 Ca 0.09 -0.41 0.13 0.00 -0.22 0.00 0.00 54.13 53.73 1h4w s LEU 209 Cb -0.10 -2.56 -0.23 0.00 0.50 0.00 0.00 46.19 43.81 1h4w s LEU 209 CO 0.04 -1.87 0.65 0.00 -1.32 0.00 0.00 176.35 173.85 1h4w n GLN 210 N 9.37 0.63 -4.06 1.98 1.13 -0.35 -3.89 117.38 122.20 1h4w n GLN 210 Ca 0.04 0.28 -0.10 0.00 -1.94 0.00 0.00 57.00 55.28 1h4w n GLN 210 Cb 0.49 -1.78 -0.07 0.00 0.11 0.00 0.00 30.24 28.99 1h4w n GLN 210 CO 0.00 0.00 0.00 0.20 -1.44 0.00 0.00 177.06 175.82 1h4w s GLY 211 N -5.11 0.82 -0.08 1.08 0.00 -0.96 -1.90 107.32 101.17 1h4w s GLY 211 Ca -0.05 -1.15 0.03 0.00 0.00 0.00 0.00 44.72 43.55 1h4w s GLY 211 CO 0.82 -0.91 -0.17 0.14 0.00 0.00 0.00 173.10 172.98 1h4w s VAL 212 N -4.06 1.55 0.02 1.40 1.01 -1.04 -1.72 120.40 117.56 1h4w s VAL 212 Ca 0.27 -0.72 -0.31 0.00 0.00 0.00 0.00 61.98 61.22 1h4w s VAL 212 Cb 0.02 -1.37 -0.10 0.00 0.00 0.00 0.00 36.38 34.93 1h4w s VAL 212 CO 0.09 0.45 1.93 0.52 0.00 0.00 0.00 175.10 178.09 1h4w n VAL 213 N 3.68 0.67 0.00 2.92 0.31 -0.23 -1.52 118.33 124.16 1h4w n VAL 213 Ca -0.21 -0.12 -0.00 0.00 -0.01 0.00 0.00 64.34 64.00 1h4w n VAL 213 Cb 0.52 -2.18 -0.00 0.00 -0.91 0.00 0.00 33.84 31.27 1h4w n VAL 213 CO 0.00 0.00 0.00 -0.24 -1.32 0.00 0.00 176.83 175.27 1h4w n SER 214 N 7.02 0.23 -1.92 4.52 2.88 -1.01 -0.56 113.62 124.78 1h4w n SER 214 Ca 0.20 0.03 -0.05 0.00 -1.33 0.00 0.00 58.87 57.72 1h4w n SER 214 Cb 0.38 -0.15 0.01 0.00 -0.75 0.00 0.00 64.21 63.69 1h4w n SER 214 CO 0.00 0.00 0.00 -2.67 -1.23 0.00 0.00 175.04 171.14 1h4w n TRP 215 N -2.71 -1.57 0.00 0.66 4.27 -0.85 -4.90 117.44 112.34 1h4w n TRP 215 Ca -0.00 -0.99 0.00 0.00 -3.89 0.00 0.00 57.50 52.62 1h4w n TRP 215 Cb 0.02 0.44 0.00 0.00 -1.36 0.00 0.00 31.31 30.41 1h4w n TRP 215 CO 0.00 0.00 0.00 0.41 -2.29 0.00 0.00 177.69 175.81 1h4w n GLY 216 N -0.28 1.38 3.52 -1.67 0.00 -1.26 -0.20 105.19 106.68 1h4w n GLY 216 Ca -0.04 -0.88 -0.42 0.00 0.00 0.00 0.00 46.02 44.69 1h4w n GLY 216 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1h4w s HIS 217 N -2.00 3.20 0.00 1.61 3.76 -1.26 -4.92 115.29 115.67 1h4w s HIS 217 Ca 0.00 -0.13 0.00 0.00 -0.15 0.00 0.00 55.06 54.78 1h4w s HIS 217 Cb 0.00 -2.76 0.00 0.00 1.11 0.00 0.00 32.58 30.93 1h4w s HIS 217 CO 0.00 -0.53 0.00 0.41 -0.85 0.00 0.00 174.74 173.77 1h4w n GLY 219 N 4.99 -0.36 2.87 -2.22 0.00 -1.26 -4.67 105.19 104.55 1h4w n GLY 219 Ca -0.08 -1.08 -0.16 0.00 0.00 0.00 0.00 46.02 44.69 1h4w n GLY 219 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1h4w n ALA 221 N 5.23 -0.42 -2.04 0.00 0.00 -1.26 -4.36 120.51 117.66 1h4w n ALA 221 Ca -0.07 0.18 -0.31 0.00 0.00 0.00 0.00 53.44 53.24 1h4w n ALA 221 Cb 0.50 -1.84 -0.04 0.00 0.00 0.00 0.00 19.45 18.07 1h4w n ALA 221 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.50 175.92 1h4w s TRP 221 N -2.77 3.43 0.34 0.00 0.52 -1.26 -0.86 118.94 118.34 1h4w s TRP 221 Ca 0.00 1.25 -0.29 0.00 0.02 0.00 0.00 56.10 57.08 1h4w s TRP 221 Cb 0.00 -2.60 -0.11 0.00 -1.15 0.00 0.00 33.47 29.61 1h4w s TRP 221 CO 0.00 -0.15 1.52 0.21 0.02 0.00 0.00 176.95 178.54 1h4w s LYS 222 N -3.72 4.13 -1.94 4.98 2.20 -1.26 -2.64 119.74 121.49 1h4w s LYS 222 Ca 0.55 2.56 0.00 0.00 -0.36 0.00 0.00 55.97 58.71 1h4w s LYS 222 Cb -0.10 -2.99 0.00 0.00 -1.51 0.00 0.00 37.83 33.23 1h4w s LYS 222 CO 0.27 -0.55 0.00 0.09 -0.36 0.00 0.00 175.35 174.80 1h4w n ASN 223 N 1.12 -5.39 -3.28 1.43 3.02 0.14 -4.91 115.26 107.38 1h4w n ASN 223 Ca 0.04 0.30 -0.25 0.00 -0.03 0.00 0.00 54.58 54.63 1h4w n ASN 223 Cb 0.39 -4.67 -0.08 0.00 -0.61 0.00 0.00 39.78 34.81 1h4w n ASN 223 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 1h4w n ARG 224 N -2.58 0.56 -1.16 3.52 1.74 -1.08 -4.73 116.66 112.92 1h4w n ARG 224 Ca -0.21 -3.25 -0.29 0.00 -0.77 0.00 0.00 57.85 53.33 1h4w n ARG 224 Cb 0.66 -1.42 0.17 0.00 -1.02 0.00 0.00 32.46 30.85 1h4w n ARG 224 CO 0.00 0.00 0.00 -1.25 -1.52 0.00 0.00 177.63 174.86 1h4w s PRO 225 N -0.74 0.52 0.43 5.56 0.04 -1.26 -4.41 135.00 135.14 1h4w s PRO 225 Ca 0.34 0.57 -0.23 0.00 0.04 0.00 0.00 61.00 61.73 1h4w s PRO 225 Cb 0.12 -1.74 -0.09 0.00 0.04 0.00 0.00 34.50 32.83 1h4w s PRO 225 CO -0.14 -2.68 1.05 0.20 0.04 0.00 0.00 177.00 175.46 1h4w s GLY 226 N -3.43 2.65 -0.12 0.56 0.00 -1.13 -4.69 107.32 101.16 1h4w s GLY 226 Ca 0.65 0.67 -0.02 0.00 0.00 0.00 0.00 44.72 46.02 1h4w s GLY 226 CO 0.58 1.05 -0.06 0.14 0.00 0.00 0.00 173.10 174.81 1h4w s VAL 227 N -1.78 3.73 0.12 1.40 1.01 0.72 -2.35 120.40 123.25 1h4w s VAL 227 Ca 0.61 -0.44 0.07 0.00 0.00 0.00 0.00 61.98 62.23 1h4w s VAL 227 Cb -0.20 -2.59 -0.04 0.00 0.00 0.00 0.00 36.38 33.56 1h4w s VAL 227 CO 0.25 0.54 -0.17 -0.31 0.00 0.00 0.00 175.10 175.41 1h4w s TYR 228 N -0.08 1.56 0.03 5.22 1.51 0.65 -2.01 117.35 124.22 1h4w s TYR 228 Ca 0.01 -0.48 -0.30 0.00 -1.01 0.00 0.00 57.07 55.29 1h4w s TYR 228 Cb -0.13 -0.83 -0.04 0.00 -0.11 0.00 0.00 41.96 40.85 1h4w s TYR 228 CO 0.03 0.18 0.99 0.99 -1.11 0.00 0.00 175.55 176.63 1h4w s THR 229 N -1.69 4.74 -0.76 -0.71 2.01 -0.57 -1.18 115.64 117.47 1h4w s THR 229 Ca 0.08 2.03 -0.26 0.00 0.31 0.00 0.00 61.69 63.84 1h4w s THR 229 Cb -0.07 -4.30 0.03 0.00 0.01 0.00 0.00 72.50 68.16 1h4w s THR 229 CO 0.04 0.19 1.37 -0.75 -0.69 0.00 0.00 174.62 174.78 1h4w s LYS 230 N 0.78 3.17 0.39 4.92 2.20 0.60 -2.49 119.74 129.30 1h4w s LYS 230 Ca 0.51 -0.25 0.09 0.00 -0.36 0.00 0.00 55.97 55.96 1h4w s LYS 230 Cb -0.22 -4.35 0.87 0.00 -1.51 0.00 0.00 37.83 32.62 1h4w s LYS 230 CO 0.29 -2.24 1.98 0.28 -0.36 0.00 0.00 175.35 175.29 1h4w h VAL 231 N 6.23 0.98 -0.94 4.02 2.07 -1.67 -2.63 116.25 124.30 1h4w h VAL 231 Ca -0.22 -0.21 0.19 0.00 0.82 0.00 0.00 66.70 67.29 1h4w h VAL 231 Cb 1.06 0.33 -0.08 0.00 -1.52 0.00 0.00 31.29 31.07 1h4w h VAL 231 CO 1.29 0.11 0.61 0.22 0.02 0.00 0.00 177.57 179.81 1h4w h TYR 232 N 0.60 0.73 0.00 1.57 3.20 -1.85 0.46 116.97 121.68 1h4w h TYR 232 Ca 0.28 0.02 0.00 0.00 3.14 0.00 0.00 58.73 62.18 1h4w h TYR 232 Cb 0.34 -0.22 0.00 0.00 1.54 0.00 0.00 36.73 38.39 1h4w h TYR 232 CO -0.00 0.19 0.00 -0.91 -1.64 0.00 0.00 178.16 175.80 1h4w h ASN 233 N 0.55 0.00 -0.21 -2.11 4.21 -1.87 -3.06 115.58 113.08 1h4w h ASN 233 Ca 0.50 0.00 0.00 0.00 1.21 0.00 0.00 56.30 58.01 1h4w h ASN 233 Cb 1.05 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 38.25 1h4w h ASN 233 CO -0.24 0.00 0.00 -1.22 -1.29 0.00 0.00 177.43 174.68 1h4w n TYR 234 N -2.60 0.33 -0.17 1.19 4.01 0.15 -4.74 117.16 115.33 1h4w n TYR 234 Ca -0.00 -0.55 -0.03 0.00 -0.16 0.00 0.00 57.90 57.16 1h4w n TYR 234 Cb 0.15 -0.06 0.07 0.00 -0.31 0.00 0.00 39.34 39.19 1h4w n TYR 234 CO 0.00 0.00 0.00 0.28 -0.46 0.00 0.00 176.86 176.68 1h4w h VAL 235 N 1.27 0.85 -0.56 -0.72 2.07 -1.47 0.12 116.25 117.81 1h4w h VAL 235 Ca 0.00 -0.13 -0.08 0.00 0.82 0.00 0.00 66.70 67.31 1h4w h VAL 235 Cb 0.72 0.42 -0.02 0.00 -1.52 0.00 0.00 31.29 30.89 1h4w h VAL 235 CO 0.02 0.07 0.04 0.44 0.02 0.00 0.00 177.57 178.16 1h4w h ASP 236 N 0.39 0.93 -0.70 0.57 3.32 -1.85 -1.57 116.42 117.50 1h4w h ASP 236 Ca 0.25 -0.29 -0.03 0.00 0.02 0.00 0.00 57.03 56.98 1h4w h ASP 236 Cb 0.25 -0.25 -0.03 0.00 0.22 0.00 0.00 39.33 39.52 1h4w h ASP 236 CO -0.23 0.99 0.34 -0.25 -1.72 0.00 0.00 179.24 178.36 1h4w h TRP 237 N 0.84 1.02 -0.11 4.55 7.01 -1.73 -0.91 115.95 126.62 1h4w h TRP 237 Ca 0.16 -0.05 -0.01 0.00 2.11 0.00 0.00 58.89 61.11 1h4w h TRP 237 Cb 0.49 -0.31 -0.00 0.00 -2.10 0.00 0.00 29.16 27.23 1h4w h TRP 237 CO 0.04 0.75 0.04 0.82 -2.79 0.00 0.00 178.44 177.30 1h4w h ILE 238 N 0.98 1.16 -0.06 2.65 2.04 -0.59 0.20 117.51 123.89 1h4w h ILE 238 Ca 0.24 -0.47 0.01 0.00 1.00 0.00 0.00 64.86 65.64 1h4w h ILE 238 Cb 0.12 1.27 -0.01 0.00 -0.74 0.00 0.00 36.82 37.47 1h4w h ILE 238 CO -0.03 0.14 0.01 0.11 0.00 0.00 0.00 178.15 178.38 1h4w h LYS 239 N 0.01 0.03 -0.35 2.37 1.57 -1.11 -1.20 116.57 117.88 1h4w h LYS 239 Ca 0.04 -0.00 -0.03 0.00 -1.87 0.00 0.00 60.65 58.78 1h4w h LYS 239 Cb 0.19 -0.01 -0.01 0.00 0.08 0.00 0.00 32.23 32.47 1h4w h LYS 239 CO -0.00 0.02 0.09 -0.44 -0.57 0.00 0.00 179.45 178.55 1h4w h ASP 240 N 0.03 0.53 -0.61 0.86 3.32 -1.13 -1.69 116.42 117.72 1h4w h ASP 240 Ca 0.03 -0.22 -0.02 0.00 0.02 0.00 0.00 57.03 56.84 1h4w h ASP 240 Cb 0.02 -0.14 -0.03 0.00 0.22 0.00 0.00 39.33 39.41 1h4w h ASP 240 CO -0.04 0.61 0.32 0.74 -1.72 0.00 0.00 179.24 179.15 1h4w h THR 241 N 0.42 1.20 -0.44 0.35 2.02 -0.87 -1.46 112.91 114.12 1h4w h THR 241 Ca 0.11 -0.54 -0.07 0.00 0.77 0.00 0.00 66.41 66.68 1h4w h THR 241 Cb 0.28 0.45 -0.02 0.00 -1.74 0.00 0.00 68.15 67.12 1h4w h THR 241 CO -0.00 0.23 -0.00 0.40 0.37 0.00 0.00 175.52 176.51 1h4w h ILE 242 N 0.83 1.26 -0.38 3.11 2.04 -1.15 -2.44 117.51 120.77 1h4w h ILE 242 Ca 0.21 -1.04 -0.03 0.00 1.00 0.00 0.00 64.86 65.00 1h4w h ILE 242 Cb 0.08 1.06 -0.02 0.00 -0.74 0.00 0.00 36.82 37.20 1h4w h ILE 242 CO -0.03 0.36 0.12 0.00 0.00 0.00 0.00 178.15 178.60 1h4w h ALA 243 N 0.91 1.50 -0.00 1.87 0.00 -1.09 -2.26 119.26 120.19 1h4w h ALA 243 Ca 0.13 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1h4w h ALA 243 Cb 0.50 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.13 1h4w h ALA 243 CO 0.02 0.38 -0.12 0.00 0.00 0.00 0.00 179.25 179.53 1h4w n ALA 244 N -2.47 2.78 -1.45 0.00 0.00 -0.57 -3.89 120.51 114.91 1h4w n ALA 244 Ca 0.02 -0.26 0.06 0.00 0.00 0.00 0.00 53.44 53.26 1h4w n ALA 244 Cb 0.16 -1.33 0.09 0.00 0.00 0.00 0.00 19.45 18.38 1h4w n ALA 244 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1h4w n ASN 245 N -1.00 1.50 0.00 0.00 3.02 -0.89 -5.08 115.26 112.82 1h4w n ASN 245 Ca 0.14 -2.75 0.00 0.00 -0.03 0.00 0.00 54.58 51.94 1h4w n ASN 245 Cb 0.28 -0.36 0.00 0.00 -0.61 0.00 0.00 39.78 39.10 1h4w n ASN 245 CO 0.00 0.00 0.00 -1.20 -2.62 0.00 0.00 177.26 173.44