#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kwe s ALA 18 N 0.00 0.58 0.20 -1.18 0.00 -1.26 -4.92 121.76 115.18 3kwe s ALA 18 Ca 0.00 0.17 -0.00 0.00 0.00 0.00 0.00 51.96 52.13 3kwe s ALA 18 Cb 0.00 -3.32 -0.04 0.00 0.00 0.00 0.00 23.12 19.76 3kwe s ALA 18 CO 0.00 -3.21 0.38 -1.83 0.00 0.00 0.00 175.76 171.11 3kwe s GLU 19 N -4.60 3.50 0.59 0.00 -1.05 -1.26 -3.60 118.70 112.28 3kwe s GLU 19 Ca 0.67 -0.39 -0.19 0.00 -0.15 0.00 0.00 54.97 54.91 3kwe s GLU 19 Cb -0.23 -2.85 -0.04 0.00 -0.44 0.00 0.00 34.13 30.57 3kwe s GLU 19 CO 0.61 0.40 1.20 -1.25 0.95 0.00 0.00 175.26 177.18 3kwe s PRO 20 N -3.39 3.01 -0.40 -4.83 0.04 -0.65 -4.41 135.00 124.37 3kwe s PRO 20 Ca 0.38 1.82 -0.10 0.00 0.04 0.00 0.00 61.00 63.14 3kwe s PRO 20 Cb -0.11 -1.94 0.06 0.00 0.04 0.00 0.00 34.50 32.55 3kwe s PRO 20 CO 0.29 -1.17 0.24 -2.00 0.04 0.00 0.00 177.00 174.40 3kwe s GLU 21 N -3.31 2.69 -0.27 4.56 2.12 -0.29 -4.93 118.70 119.27 3kwe s GLU 21 Ca 0.77 -1.33 -0.04 0.00 0.36 0.00 0.00 54.97 54.73 3kwe s GLU 21 Cb -0.30 -3.77 0.02 0.00 0.26 0.00 0.00 34.13 30.34 3kwe s GLU 21 CO 0.33 -0.87 0.00 0.42 -0.54 0.00 0.00 175.26 174.60 3kwe s ILE 22 N 1.47 3.34 0.54 -3.70 1.01 -1.26 -0.38 121.20 122.22 3kwe s ILE 22 Ca 0.02 -0.92 -0.22 0.00 0.00 0.00 0.00 60.65 59.54 3kwe s ILE 22 Cb -0.22 -2.73 -0.06 0.00 0.01 0.00 0.00 42.46 39.47 3kwe s ILE 22 CO 0.04 0.12 1.24 0.00 0.00 0.00 0.00 174.94 176.33 3kwe n ALA 23 N 4.75 1.14 -0.16 9.38 0.00 -0.47 -4.87 120.51 130.27 3kwe n ALA 23 Ca -0.15 0.12 0.22 0.00 0.00 0.00 0.00 53.44 53.63 3kwe n ALA 23 Cb 0.47 -2.27 0.62 0.00 0.00 0.00 0.00 19.45 18.27 3kwe n ALA 23 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.50 176.15 3kwe h PRO 24 N 1.28 0.18 -0.13 0.00 0.11 -1.92 -1.25 132.00 130.27 3kwe h PRO 24 Ca -0.49 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.60 3kwe h PRO 24 Cb 1.32 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 32.39 3kwe h PRO 24 CO 0.56 0.12 0.00 0.25 -0.21 0.00 0.00 178.00 178.72 3kwe n THR 25 N -4.40 0.14 -2.66 -1.15 -2.24 -1.26 -4.93 114.28 97.78 3kwe n THR 25 Ca 0.16 -0.46 -0.35 0.00 -2.27 0.00 0.00 64.05 61.13 3kwe n THR 25 Cb 0.75 0.92 -0.05 0.00 -2.10 0.00 0.00 70.33 69.85 3kwe n THR 25 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3kwe s ALA 26 N -1.86 3.07 -0.21 6.98 0.00 -0.48 -3.37 121.76 125.90 3kwe s ALA 26 Ca 0.34 0.58 -0.04 0.00 0.00 0.00 0.00 51.96 52.84 3kwe s ALA 26 Cb 0.20 -3.22 -0.01 0.00 0.00 0.00 0.00 23.12 20.09 3kwe s ALA 26 CO 0.31 -0.06 -0.05 -0.47 0.00 0.00 0.00 175.76 175.48 3kwe s TYR 27 N -1.82 2.95 -0.21 0.00 5.04 0.69 -4.93 117.35 119.07 3kwe s TYR 27 Ca 0.59 -0.90 0.01 0.00 -2.44 0.00 0.00 57.07 54.32 3kwe s TYR 27 Cb -0.17 -2.08 0.05 0.00 0.35 0.00 0.00 41.96 40.11 3kwe s TYR 27 CO 0.22 -0.51 -0.07 0.08 -1.34 0.00 0.00 175.55 173.93 3kwe s VAL 28 N 1.36 1.53 0.48 3.14 1.01 -1.26 -0.74 120.40 125.91 3kwe s VAL 28 Ca 0.04 -1.08 -0.24 0.00 0.00 0.00 0.00 61.98 60.70 3kwe s VAL 28 Cb -0.14 -1.71 -0.07 0.00 0.00 0.00 0.00 36.38 34.45 3kwe s VAL 28 CO -0.03 0.02 1.42 -2.28 0.00 0.00 0.00 175.10 174.24 3kwe s HIS 29 N 1.42 2.38 0.57 5.22 2.46 -0.51 -4.88 115.29 121.96 3kwe s HIS 29 Ca -0.03 1.28 0.41 0.00 0.47 0.00 0.00 55.06 57.18 3kwe s HIS 29 Cb -0.17 -3.91 2.17 0.00 -0.13 0.00 0.00 32.58 30.54 3kwe s HIS 29 CO -0.07 -3.00 2.30 0.77 -2.47 0.00 0.00 174.74 172.26 3kwe h SER 30 N 2.07 0.00 0.15 9.88 0.02 -1.94 -1.49 113.55 122.24 3kwe h SER 30 Ca -0.51 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.44 3kwe h SER 30 Cb 1.28 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.82 3kwe h SER 30 CO 0.60 0.01 -0.06 0.49 -1.14 0.00 0.00 176.83 176.72 3kwe n PHE 31 N -3.22 0.00 -2.44 3.45 3.72 -1.26 -4.83 117.46 112.88 3kwe n PHE 31 Ca -0.02 0.00 -0.41 0.00 -0.05 0.00 0.00 57.45 56.96 3kwe n PHE 31 Cb 0.11 -0.08 -0.04 0.00 -0.94 0.00 0.00 39.48 38.54 3kwe n PHE 31 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 176.76 177.16 3kwe s SER 32 N -2.22 7.16 -0.82 4.37 0.15 -0.56 -3.83 113.70 117.95 3kwe s SER 32 Ca 0.36 2.14 -0.18 0.00 0.70 0.00 0.00 55.95 58.97 3kwe s SER 32 Cb 0.21 -2.60 0.14 0.00 -1.71 0.00 0.00 66.02 62.05 3kwe s SER 32 CO 0.41 -0.32 0.96 0.21 1.20 0.00 0.00 173.24 175.69 3kwe s ASN 33 N 0.16 6.53 -0.23 5.45 2.47 -0.31 -4.99 114.94 124.02 3kwe s ASN 33 Ca 0.52 -1.97 -0.04 0.00 0.42 0.00 0.00 52.86 51.79 3kwe s ASN 33 Cb -0.31 -2.34 -0.01 0.00 -1.45 0.00 0.00 41.25 37.14 3kwe s ASN 33 CO 0.35 -1.01 -0.02 -0.22 -3.72 0.00 0.00 177.10 172.48 3kwe s LEU 34 N 2.29 3.02 -0.01 3.21 2.96 -1.26 -0.60 118.68 128.29 3kwe s LEU 34 Ca 0.25 -0.40 -0.03 0.00 -0.22 0.00 0.00 54.13 53.73 3kwe s LEU 34 Cb -0.11 -1.77 0.00 0.00 0.50 0.00 0.00 46.19 44.82 3kwe s LEU 34 CO -0.05 -0.03 0.06 -0.51 -1.32 0.00 0.00 176.35 174.50 3kwe s ILE 35 N 1.49 0.04 0.00 6.68 2.07 -0.62 -4.97 121.20 125.89 3kwe s ILE 35 Ca 0.06 -0.31 0.00 0.00 -1.41 0.00 0.00 60.65 58.99 3kwe s ILE 35 Cb -0.15 -0.20 0.00 0.00 0.13 0.00 0.00 42.46 42.25 3kwe s ILE 35 CO -0.02 -0.17 0.00 0.61 -1.91 0.00 0.00 174.94 173.45 3kwe n GLY 36 N 2.47 -1.78 3.34 1.50 0.00 -1.24 -0.80 105.19 108.68 3kwe n GLY 36 Ca -0.16 -1.58 -0.43 0.00 0.00 0.00 0.00 46.02 43.85 3kwe n GLY 36 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 3kwe n ASP 37 N 0.30 4.69 -4.29 1.61 4.64 -1.24 -1.63 116.55 120.62 3kwe n ASP 37 Ca 0.00 -2.91 -0.35 0.00 -1.38 0.00 0.00 54.79 50.15 3kwe n ASP 37 Cb 0.00 -1.71 -0.14 0.00 -1.04 0.00 0.00 41.12 38.23 3kwe n ASP 37 CO 0.00 0.00 0.00 -0.69 -0.82 0.00 0.00 177.20 175.69 3kwe s VAL 38 N 3.71 3.37 -0.43 5.18 1.01 -1.26 -1.08 120.40 130.91 3kwe s VAL 38 Ca 0.51 -0.63 -0.11 0.00 0.00 0.00 0.00 61.98 61.75 3kwe s VAL 38 Cb 0.06 -2.60 0.07 0.00 0.00 0.00 0.00 36.38 33.91 3kwe s VAL 38 CO 0.03 0.32 0.29 -0.13 0.00 0.00 0.00 175.10 175.61 3kwe s ARG 39 N 1.45 2.73 -0.21 2.72 0.52 0.08 -1.14 118.95 125.11 3kwe s ARG 39 Ca 0.04 -1.38 -0.04 0.00 -0.52 0.00 0.00 55.73 53.83 3kwe s ARG 39 Cb -0.15 -3.87 -0.02 0.00 0.52 0.00 0.00 34.95 31.44 3kwe s ARG 39 CO -0.03 -0.94 -0.03 0.42 0.02 0.00 0.00 175.30 174.74 3kwe s ILE 40 N 1.50 3.58 0.04 1.52 1.01 0.49 -0.87 121.20 128.48 3kwe s ILE 40 Ca 0.03 -0.43 0.00 0.00 0.00 0.00 0.00 60.65 60.25 3kwe s ILE 40 Cb -0.23 -2.62 0.01 0.00 0.01 0.00 0.00 42.46 39.63 3kwe s ILE 40 CO 0.04 0.43 0.06 0.29 0.00 0.00 0.00 174.94 175.76 3kwe n LYS 41 N 4.51 0.66 -2.00 2.79 4.76 -0.40 -1.37 118.16 127.11 3kwe n LYS 41 Ca -0.18 -0.17 -0.40 0.00 -2.87 0.00 0.00 58.31 54.68 3kwe n LYS 41 Cb 0.51 -0.04 -0.01 0.00 -1.84 0.00 0.00 35.03 33.66 3kwe n LYS 41 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 3kwe s ASP 42 N -1.25 6.52 -1.69 4.39 1.01 -1.26 -3.15 116.67 121.24 3kwe s ASP 42 Ca 0.04 2.79 0.00 0.00 0.71 0.00 0.00 52.55 56.09 3kwe s ASP 42 Cb -0.00 -2.65 0.00 0.00 1.01 0.00 0.00 42.92 41.27 3kwe s ASP 42 CO 0.03 -0.72 0.00 -1.22 0.21 0.00 0.00 175.17 173.46 3kwe n TYR 43 N 0.52 0.00 -1.96 4.23 4.01 -1.22 -0.58 117.16 122.16 3kwe n TYR 43 Ca 0.01 0.00 -0.38 0.00 -0.16 0.00 0.00 57.90 57.37 3kwe n TYR 43 Cb 0.41 -3.05 0.02 0.00 -0.31 0.00 0.00 39.34 36.41 3kwe n TYR 43 CO 0.00 0.00 0.00 0.08 -0.46 0.00 0.00 176.86 176.48 3kwe s VAL 44 N -2.41 2.45 -0.23 -0.72 1.01 -1.19 -3.91 120.40 115.41 3kwe s VAL 44 Ca 0.00 0.36 0.01 0.00 0.00 0.00 0.00 61.98 62.35 3kwe s VAL 44 Cb 0.00 -3.19 0.06 0.00 0.00 0.00 0.00 36.38 33.25 3kwe s VAL 44 CO 0.00 0.01 -0.07 -2.28 0.00 0.00 0.00 175.10 172.77 3kwe s HIS 45 N -1.35 2.49 -0.26 5.22 2.46 -0.42 -0.22 115.29 123.20 3kwe s HIS 45 Ca 0.65 -1.79 -0.05 0.00 0.47 0.00 0.00 55.06 54.34 3kwe s HIS 45 Cb -0.37 -1.62 0.00 0.00 -0.13 0.00 0.00 32.58 30.46 3kwe s HIS 45 CO 0.45 -0.78 0.03 0.42 -2.47 0.00 0.00 174.74 172.39 3kwe s ILE 46 N 1.36 3.72 0.81 0.89 1.01 0.08 -1.09 121.20 127.98 3kwe s ILE 46 Ca -0.05 -0.61 -0.11 0.00 0.00 0.00 0.00 60.65 59.87 3kwe s ILE 46 Cb -0.19 -2.83 0.08 0.00 0.01 0.00 0.00 42.46 39.53 3kwe s ILE 46 CO -0.06 0.22 1.09 0.00 0.00 0.00 0.00 174.94 176.19 3kwe s ALA 47 N 1.49 2.14 0.93 9.38 0.00 -0.42 -1.42 121.76 133.85 3kwe s ALA 47 Ca 0.04 -0.14 -0.11 0.00 0.00 0.00 0.00 51.96 51.75 3kwe s ALA 47 Cb -0.16 -3.13 0.15 0.00 0.00 0.00 0.00 23.12 19.98 3kwe s ALA 47 CO 0.00 -1.82 1.11 -1.25 0.00 0.00 0.00 175.76 173.80 3kwe s PRO 48 N -5.09 0.93 -0.60 0.00 0.04 -1.26 -3.81 135.00 125.20 3kwe s PRO 48 Ca 0.61 1.28 0.00 0.00 0.04 0.00 0.00 61.00 62.93 3kwe s PRO 48 Cb -0.15 -1.74 0.00 0.00 0.04 0.00 0.00 34.50 32.65 3kwe s PRO 48 CO 0.55 -2.60 0.00 0.41 0.04 0.00 0.00 177.00 175.40 3kwe n GLY 49 N -0.10 0.67 3.61 0.56 0.00 -1.25 -4.02 105.19 104.67 3kwe n GLY 49 Ca 0.09 -0.76 -0.28 0.00 0.00 0.00 0.00 46.02 45.08 3kwe n GLY 49 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3kwe s THR 50 N -2.24 3.47 -0.10 2.61 -4.23 -1.25 -0.79 115.64 113.11 3kwe s THR 50 Ca 0.00 -1.45 -0.00 0.00 -1.18 0.00 0.00 61.69 59.06 3kwe s THR 50 Cb 0.00 -2.70 0.02 0.00 1.34 0.00 0.00 72.50 71.16 3kwe s THR 50 CO 0.00 -0.05 -0.07 -0.55 -0.54 0.00 0.00 174.62 173.42 3kwe s SER 51 N -2.70 2.05 -0.36 3.99 0.15 -0.72 -1.16 113.70 114.94 3kwe s SER 51 Ca 0.25 -0.27 0.00 0.00 0.70 0.00 0.00 55.95 56.64 3kwe s SER 51 Cb -0.10 -0.77 0.13 0.00 -1.71 0.00 0.00 66.02 63.58 3kwe s SER 51 CO 0.16 -0.12 0.21 -0.63 1.20 0.00 0.00 173.24 174.06 3kwe s ILE 52 N 1.69 0.41 -0.23 6.45 1.01 0.23 -0.40 121.20 130.36 3kwe s ILE 52 Ca 0.04 -1.80 0.01 0.00 0.00 0.00 0.00 60.65 58.90 3kwe s ILE 52 Cb -0.13 -1.30 0.05 0.00 0.01 0.00 0.00 42.46 41.09 3kwe s ILE 52 CO -0.07 -0.94 -0.08 -0.13 0.00 0.00 0.00 174.94 173.72 3kwe s ARG 53 N 1.03 1.87 -0.60 2.79 0.52 -1.00 -1.59 118.95 121.96 3kwe s ARG 53 Ca 0.17 -1.01 -0.03 0.00 -0.52 0.00 0.00 55.73 54.34 3kwe s ARG 53 Cb -0.23 -2.59 0.15 0.00 0.52 0.00 0.00 34.95 32.81 3kwe s ARG 53 CO -0.03 -0.54 2.53 0.00 0.02 0.00 0.00 175.30 177.28 3kwe n ALA 54 N 4.63 6.49 0.78 2.13 0.00 0.02 -4.43 120.51 130.13 3kwe n ALA 54 Ca -0.13 -3.42 0.11 0.00 0.00 0.00 0.00 53.44 50.00 3kwe n ALA 54 Cb 0.44 -2.12 0.08 0.00 0.00 0.00 0.00 19.45 17.85 3kwe n ALA 54 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 3kwe n ASP 55 N 0.46 0.65 0.00 0.00 3.85 -1.26 -4.39 116.55 115.86 3kwe n ASP 55 Ca 0.51 -0.34 0.00 0.00 -0.71 0.00 0.00 54.79 54.24 3kwe n ASP 55 Cb 0.44 0.62 0.00 0.00 -1.35 0.00 0.00 41.12 40.83 3kwe n ASP 55 CO 0.00 0.00 0.00 -0.62 -1.01 0.00 0.00 177.20 175.57 3kwe n GLU 56 N -1.74 0.00 -1.86 0.11 1.02 -1.26 -5.02 120.64 111.90 3kwe n GLU 56 Ca 0.04 0.00 -0.41 0.00 -0.02 0.00 0.00 57.16 56.77 3kwe n GLU 56 Cb 0.39 0.00 -0.00 0.00 -0.02 0.00 0.00 31.44 31.80 3kwe n GLU 56 CO 0.00 0.00 0.00 0.20 1.18 0.00 0.00 177.13 178.51 3kwe s GLY 57 N -0.72 2.95 -0.07 0.62 0.00 -0.58 -4.56 107.32 104.96 3kwe s GLY 57 Ca 0.00 1.51 -0.30 0.00 0.00 0.00 0.00 44.72 45.93 3kwe s GLY 57 CO 0.00 2.19 0.79 -1.08 0.00 0.00 0.00 173.10 174.99 3kwe s THR 58 N -1.13 0.00 0.80 0.90 -1.32 -1.26 -4.47 115.64 109.15 3kwe s THR 58 Ca 0.53 0.00 -0.10 0.00 -1.21 0.00 0.00 61.69 60.91 3kwe s THR 58 Cb -0.45 -1.00 0.11 0.00 -1.51 0.00 0.00 72.50 69.65 3kwe s THR 58 CO 0.61 0.00 1.13 -2.16 -2.21 0.00 0.00 174.62 171.99 3kwe s PRO 59 N -1.35 1.69 0.16 7.08 0.04 -1.26 -4.17 135.00 137.19 3kwe s PRO 59 Ca -0.07 -0.30 0.09 0.00 0.04 0.00 0.00 61.00 60.77 3kwe s PRO 59 Cb -0.00 -2.05 -0.04 0.00 0.04 0.00 0.00 34.50 32.44 3kwe s PRO 59 CO 0.06 -1.65 -0.15 -0.06 0.04 0.00 0.00 177.00 175.24 3kwe s PHE 60 N -3.48 2.54 -0.04 0.56 0.08 -0.24 -0.66 117.98 116.74 3kwe s PHE 60 Ca 0.65 -0.26 0.03 0.00 0.12 0.00 0.00 56.93 57.47 3kwe s PHE 60 Cb -0.08 -1.28 0.00 0.00 -0.57 0.00 0.00 43.02 41.09 3kwe s PHE 60 CO 0.48 0.47 -0.13 -1.58 -0.10 0.00 0.00 175.22 174.36 3kwe s HIS 61 N -1.52 1.34 -0.19 0.36 5.65 -0.37 -0.74 115.29 119.82 3kwe s HIS 61 Ca 0.22 -0.39 -0.00 0.00 0.25 0.00 0.00 55.06 55.14 3kwe s HIS 61 Cb -0.09 -0.94 0.05 0.00 -1.18 0.00 0.00 32.58 30.42 3kwe s HIS 61 CO 0.13 -0.16 -0.05 0.42 -0.65 0.00 0.00 174.74 174.42 3kwe s ILE 62 N 0.24 1.25 0.94 0.89 1.01 -0.05 -0.80 121.20 124.68 3kwe s ILE 62 Ca -0.06 -0.84 -0.14 0.00 0.00 0.00 0.00 60.65 59.62 3kwe s ILE 62 Cb -0.11 -1.46 0.16 0.00 0.01 0.00 0.00 42.46 41.06 3kwe s ILE 62 CO 0.02 0.05 1.19 -0.83 0.00 0.00 0.00 174.94 175.36 3kwe s GLY 63 N 1.55 1.63 0.39 6.18 0.00 0.15 -1.28 107.32 115.95 3kwe s GLY 63 Ca -0.01 -0.77 -0.27 0.00 0.00 0.00 0.00 44.72 43.67 3kwe s GLY 63 CO -0.07 -0.13 1.35 -0.56 0.00 0.00 0.00 173.10 173.68 3kwe s SER 64 N -4.33 6.33 0.00 1.64 0.01 -1.26 -2.58 113.70 113.52 3kwe s SER 64 Ca 0.67 2.76 0.00 0.00 1.31 0.00 0.00 55.95 60.69 3kwe s SER 64 Cb -0.11 -2.65 0.00 0.00 0.21 0.00 0.00 66.02 63.48 3kwe s SER 64 CO 0.53 -0.85 0.00 0.54 0.41 0.00 0.00 173.24 173.87 3kwe n ARG 65 N 0.25 -0.77 -2.42 12.44 1.74 0.25 -0.31 116.66 127.84 3kwe n ARG 65 Ca 0.03 0.19 -0.39 0.00 -0.77 0.00 0.00 57.85 56.91 3kwe n ARG 65 Cb 0.42 -4.02 -0.04 0.00 -1.02 0.00 0.00 32.46 27.81 3kwe n ARG 65 CO 0.00 0.00 0.00 0.99 -1.52 0.00 0.00 177.63 177.10 3kwe s THR 66 N -1.69 3.39 -0.17 0.55 2.01 -1.06 -4.47 115.64 114.20 3kwe s THR 66 Ca 0.00 1.27 -0.01 0.00 0.31 0.00 0.00 61.69 63.26 3kwe s THR 66 Cb 0.00 -3.76 -0.01 0.00 0.01 0.00 0.00 72.50 68.74 3kwe s THR 66 CO 0.00 0.21 -0.11 0.21 -0.69 0.00 0.00 174.62 174.24 3kwe s ASN 67 N -1.05 4.00 -0.27 3.53 3.04 -0.44 -1.31 114.94 122.44 3kwe s ASN 67 Ca 0.50 -0.39 -0.04 0.00 0.04 0.00 0.00 52.86 52.98 3kwe s ASN 67 Cb -0.30 -1.64 0.02 0.00 -1.54 0.00 0.00 41.25 37.79 3kwe s ASN 67 CO 0.39 0.08 0.00 -0.63 -3.04 0.00 0.00 177.10 173.90 3kwe s ILE 68 N 0.87 3.31 0.45 -5.21 -1.09 -0.25 -0.95 121.20 118.33 3kwe s ILE 68 Ca -0.03 -0.95 -0.00 0.00 -2.23 0.00 0.00 60.65 57.44 3kwe s ILE 68 Cb -0.15 -2.73 -0.01 0.00 -1.58 0.00 0.00 42.46 38.00 3kwe s ILE 68 CO 0.00 0.11 0.67 -1.10 -1.23 0.00 0.00 174.94 173.39 3kwe s GLN 69 N 1.38 3.12 0.23 2.79 -0.21 -0.39 -1.30 119.66 125.28 3kwe s GLN 69 Ca 0.00 -0.43 -0.32 0.00 0.02 0.00 0.00 55.36 54.64 3kwe s GLN 69 Cb -0.17 -2.55 -0.12 0.00 1.00 0.00 0.00 33.01 31.16 3kwe s GLN 69 CO -0.01 -0.24 1.64 -3.47 -2.12 0.00 0.00 175.29 171.08 3kwe n ASP 70 N -2.08 3.74 0.00 5.90 4.64 -1.26 -2.27 116.55 125.23 3kwe n ASP 70 Ca 0.01 1.10 0.00 0.00 -1.38 0.00 0.00 54.79 54.52 3kwe n ASP 70 Cb 0.57 -1.55 0.00 0.00 -1.04 0.00 0.00 41.12 39.10 3kwe n ASP 70 CO 0.00 0.00 0.00 0.61 -0.82 0.00 0.00 177.20 176.99 3kwe n GLY 71 N 3.13 0.08 3.78 0.27 0.00 0.03 -3.38 105.19 109.10 3kwe n GLY 71 Ca 0.13 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.78 3kwe n GLY 71 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3kwe s VAL 72 N -2.00 3.61 -0.09 1.61 1.01 -0.96 -3.75 120.40 119.82 3kwe s VAL 72 Ca 0.00 1.30 0.04 0.00 0.00 0.00 0.00 61.98 63.32 3kwe s VAL 72 Cb 0.00 -3.71 0.00 0.00 0.00 0.00 0.00 36.38 32.67 3kwe s VAL 72 CO 0.00 0.08 -0.21 -0.69 0.00 0.00 0.00 175.10 174.28 3kwe s VAL 73 N -1.54 1.83 -0.16 2.92 1.01 -0.85 -1.76 120.40 121.86 3kwe s VAL 73 Ca 0.55 -0.89 0.01 0.00 0.00 0.00 0.00 61.98 61.66 3kwe s VAL 73 Cb -0.25 -1.60 0.02 0.00 0.00 0.00 0.00 36.38 34.55 3kwe s VAL 73 CO 0.31 0.51 -0.18 -0.63 0.00 0.00 0.00 175.10 175.11 3kwe s ILE 74 N 0.41 1.88 0.28 2.22 1.01 0.46 -1.56 121.20 125.89 3kwe s ILE 74 Ca -0.18 -0.83 -0.04 0.00 0.00 0.00 0.00 60.65 59.60 3kwe s ILE 74 Cb -0.17 -1.71 -0.01 0.00 0.01 0.00 0.00 42.46 40.57 3kwe s ILE 74 CO 0.08 0.51 0.36 -2.28 0.00 0.00 0.00 174.94 173.61 3kwe s HIS 75 N 1.29 0.98 0.04 3.97 2.46 -0.89 -2.37 115.29 120.78 3kwe s HIS 75 Ca 0.03 -1.21 -0.15 0.00 0.47 0.00 0.00 55.06 54.20 3kwe s HIS 75 Cb -0.13 -0.21 0.03 0.00 -0.13 0.00 0.00 32.58 32.13 3kwe s HIS 75 CO -0.11 -0.94 0.34 0.20 -2.47 0.00 0.00 174.74 171.76 3kwe s GLY 76 N -3.17 -0.17 0.41 1.59 0.00 -1.26 -0.42 107.32 104.30 3kwe s GLY 76 Ca 0.32 0.13 -0.24 0.00 0.00 0.00 0.00 44.72 44.93 3kwe s GLY 76 CO 0.16 -0.10 1.11 1.08 0.00 0.00 0.00 173.10 175.36 3kwe s LEU 77 N -1.97 4.14 0.23 0.66 1.43 -0.89 -1.52 118.68 120.75 3kwe s LEU 77 Ca -0.06 2.19 -0.07 0.00 -1.03 0.00 0.00 54.13 55.17 3kwe s LEU 77 Cb -0.01 -4.14 0.36 0.00 0.03 0.00 0.00 46.19 42.43 3kwe s LEU 77 CO -0.02 -0.64 1.75 -0.61 0.23 0.00 0.00 176.35 177.06 3kwe h GLN 78 N 2.47 0.47 -5.70 1.70 4.15 -1.93 -3.05 115.11 113.22 3kwe h GLN 78 Ca -0.49 -0.03 -0.66 0.00 0.77 0.00 0.00 58.65 58.24 3kwe h GLN 78 Cb 1.23 -0.11 -0.12 0.00 0.21 0.00 0.00 27.48 28.70 3kwe h GLN 78 CO 0.62 0.31 -0.55 -1.14 -1.93 0.00 0.00 178.83 176.14 3kwe s GLN 79 N -6.06 3.37 0.00 1.69 0.74 -1.26 -4.59 119.66 113.55 3kwe s GLN 79 Ca -0.13 -0.27 0.00 0.00 0.05 0.00 0.00 55.36 55.01 3kwe s GLN 79 Cb 0.19 -3.05 0.00 0.00 1.10 0.00 0.00 33.01 31.25 3kwe s GLN 79 CO 0.76 0.66 0.00 0.41 -0.55 0.00 0.00 175.29 176.57 3kwe n GLY 80 N 2.32 2.96 3.11 2.59 0.00 -1.26 -4.76 105.19 110.15 3kwe n GLY 80 Ca -0.19 -1.21 -0.09 0.00 0.00 0.00 0.00 46.02 44.53 3kwe n GLY 80 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3kwe s ARG 81 N -4.93 0.67 0.28 1.61 1.81 -1.26 -4.38 118.95 112.75 3kwe s ARG 81 Ca 0.00 -1.18 0.10 0.00 -1.72 0.00 0.00 55.73 52.93 3kwe s ARG 81 Cb 0.00 -0.01 -0.05 0.00 -0.45 0.00 0.00 34.95 34.44 3kwe s ARG 81 CO 0.00 -0.05 -0.04 0.14 -0.68 0.00 0.00 175.30 174.67 3kwe s VAL 82 N -3.39 3.13 -0.19 3.52 -7.23 0.33 -4.92 120.40 111.64 3kwe s VAL 82 Ca 0.06 -2.02 -0.19 0.00 -1.81 0.00 0.00 61.98 58.02 3kwe s VAL 82 Cb 0.04 -2.73 -0.03 0.00 0.56 0.00 0.00 36.38 34.22 3kwe s VAL 82 CO -0.06 -0.35 0.55 -0.63 -0.31 0.00 0.00 175.10 174.30 3kwe s ILE 83 N -2.39 5.08 0.89 -0.62 -1.09 -1.26 -0.69 121.20 121.12 3kwe s ILE 83 Ca 0.32 1.04 -0.14 0.00 -2.23 0.00 0.00 60.65 59.64 3kwe s ILE 83 Cb -0.05 -3.88 0.15 0.00 -1.58 0.00 0.00 42.46 37.10 3kwe s ILE 83 CO 0.19 0.17 1.25 -0.83 -1.23 0.00 0.00 174.94 174.48 3kwe s GLY 84 N 1.13 1.72 0.29 6.18 0.00 0.04 -4.92 107.32 111.76 3kwe s GLY 84 Ca 0.26 -1.04 0.24 0.00 0.00 0.00 0.00 44.72 44.18 3kwe s GLY 84 CO 0.10 -0.38 1.73 -0.55 0.00 0.00 0.00 173.10 174.00 3kwe h ASP 85 N -1.36 0.00 -0.20 1.64 3.45 -1.98 -1.11 116.42 116.86 3kwe h ASP 85 Ca -0.45 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.01 3kwe h ASP 85 Cb 1.27 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 40.04 3kwe h ASP 85 CO 0.48 0.00 0.00 -0.90 -1.57 0.00 0.00 179.24 177.25 3kwe n ASP 86 N -2.31 1.91 0.00 6.45 5.68 -1.26 -4.94 116.55 122.08 3kwe n ASP 86 Ca 0.02 -1.76 0.00 0.00 -0.50 0.00 0.00 54.79 52.55 3kwe n ASP 86 Cb 0.22 -0.13 0.00 0.00 -1.14 0.00 0.00 41.12 40.07 3kwe n ASP 86 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3kwe n GLY 87 N 1.18 1.67 3.90 6.12 0.00 -0.42 -5.02 105.19 112.61 3kwe n GLY 87 Ca 0.16 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.90 3kwe n GLY 87 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3kwe s GLN 88 N -0.00 3.61 0.18 1.61 -0.21 -1.26 -4.74 119.66 118.85 3kwe s GLN 88 Ca 0.00 0.24 -0.30 0.00 0.02 0.00 0.00 55.36 55.32 3kwe s GLN 88 Cb 0.00 -2.41 -0.07 0.00 1.00 0.00 0.00 33.01 31.52 3kwe s GLN 88 CO 0.00 -0.11 1.00 -1.21 -2.12 0.00 0.00 175.29 172.85 3kwe s GLU 89 N -4.37 4.72 0.05 2.91 2.02 -1.26 -0.78 118.70 121.99 3kwe s GLU 89 Ca 0.48 1.56 0.04 0.00 0.02 0.00 0.00 54.97 57.07 3kwe s GLU 89 Cb -0.10 -3.31 -0.02 0.00 0.10 0.00 0.00 34.13 30.79 3kwe s GLU 89 CO 0.39 0.27 -0.13 0.71 0.02 0.00 0.00 175.26 176.53 3kwe s TYR 90 N -0.50 1.08 0.02 1.61 1.51 0.14 -4.43 117.35 116.77 3kwe s TYR 90 Ca 0.46 -0.42 -0.21 0.00 -1.01 0.00 0.00 57.07 55.89 3kwe s TYR 90 Cb -0.26 -0.63 -0.17 0.00 -0.11 0.00 0.00 41.96 40.79 3kwe s TYR 90 CO 0.33 0.02 1.27 1.03 -1.11 0.00 0.00 175.55 177.09 3kwe h SER 91 N 4.60 0.36 -3.36 2.29 0.87 -1.05 0.94 113.55 118.19 3kwe h SER 91 Ca -0.38 -0.55 -0.45 0.00 -1.23 0.00 0.00 61.79 59.17 3kwe h SER 91 Cb 1.19 -0.10 -0.35 0.00 -0.44 0.00 0.00 62.40 62.70 3kwe h SER 91 CO 0.42 0.84 -0.78 -0.69 -0.53 0.00 0.00 176.83 176.09 3kwe s VAL 92 N -4.02 0.69 -0.20 2.23 1.01 -1.20 -1.44 120.40 117.47 3kwe s VAL 92 Ca -0.14 -0.16 0.01 0.00 0.00 0.00 0.00 61.98 61.69 3kwe s VAL 92 Cb 0.04 -0.72 0.02 0.00 0.00 0.00 0.00 36.38 35.73 3kwe s VAL 92 CO 0.75 0.28 -0.17 0.86 0.00 0.00 0.00 175.10 176.82 3kwe s TRP 93 N 1.23 2.87 -0.16 5.22 -0.11 -0.29 -1.24 118.94 126.46 3kwe s TRP 93 Ca -0.06 -1.69 0.00 0.00 1.22 0.00 0.00 56.10 55.58 3kwe s TRP 93 Cb -0.14 -1.94 0.00 0.00 -1.50 0.00 0.00 33.47 29.89 3kwe s TRP 93 CO -0.02 -0.80 -0.16 0.42 -4.62 0.00 0.00 176.95 171.77 3kwe s ILE 94 N 1.28 2.58 0.00 5.86 1.01 0.02 -0.57 121.20 131.38 3kwe s ILE 94 Ca 0.03 -0.80 0.00 0.00 0.00 0.00 0.00 60.65 59.88 3kwe s ILE 94 Cb -0.14 -2.08 0.00 0.00 0.01 0.00 0.00 42.46 40.24 3kwe s ILE 94 CO -0.11 0.52 0.00 0.61 0.00 0.00 0.00 174.94 175.96 3kwe n GLY 95 N 4.11 -1.46 3.81 6.18 0.00 0.26 -0.68 105.19 117.41 3kwe n GLY 95 Ca -0.19 -1.56 -0.34 0.00 0.00 0.00 0.00 46.02 43.93 3kwe n GLY 95 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3kwe s ASP 96 N -1.20 6.98 -1.58 1.61 -0.00 -1.26 -2.64 116.67 118.58 3kwe s ASP 96 Ca 0.00 1.72 -0.02 0.00 -0.00 0.00 0.00 52.55 54.26 3kwe s ASP 96 Cb 0.00 -2.55 0.00 0.00 -0.00 0.00 0.00 42.92 40.37 3kwe s ASP 96 CO 0.00 -0.33 0.24 0.59 -0.00 0.00 0.00 175.17 175.67 3kwe n ASN 97 N -0.46 -5.70 -4.87 0.27 3.02 0.57 -0.53 115.26 107.55 3kwe n ASN 97 Ca 0.06 -0.12 -0.35 0.00 -0.03 0.00 0.00 54.58 54.13 3kwe n ASN 97 Cb 0.53 -4.65 -0.05 0.00 -0.61 0.00 0.00 39.78 35.00 3kwe n ASN 97 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 3kwe s VAL 98 N -3.04 5.26 -0.31 2.41 1.01 -1.26 -3.58 120.40 120.89 3kwe s VAL 98 Ca 0.12 0.31 -0.07 0.00 0.00 0.00 0.00 61.98 62.34 3kwe s VAL 98 Cb -0.05 -3.57 0.02 0.00 0.00 0.00 0.00 36.38 32.77 3kwe s VAL 98 CO 0.15 0.42 0.09 -0.55 0.00 0.00 0.00 175.10 175.21 3kwe s SER 99 N -1.53 5.18 -0.57 3.32 0.15 -0.62 -1.33 113.70 118.30 3kwe s SER 99 Ca 0.26 -0.87 -0.12 0.00 0.70 0.00 0.00 55.95 55.92 3kwe s SER 99 Cb -0.14 -1.87 0.14 0.00 -1.71 0.00 0.00 66.02 62.44 3kwe s SER 99 CO 0.14 -0.24 0.48 -0.63 1.20 0.00 0.00 173.24 174.19 3kwe s ILE 100 N 1.46 4.81 0.77 6.45 -1.09 -0.12 -0.82 121.20 132.66 3kwe s ILE 100 Ca 0.01 -1.86 -0.05 0.00 -2.23 0.00 0.00 60.65 56.53 3kwe s ILE 100 Cb -0.18 -4.10 0.13 0.00 -1.58 0.00 0.00 42.46 36.74 3kwe s ILE 100 CO 0.02 -0.86 1.06 0.42 -1.23 0.00 0.00 174.94 174.35 3kwe s THR 101 N 1.17 2.14 0.14 2.92 -4.23 -0.79 -1.27 115.64 115.72 3kwe s THR 101 Ca 0.07 -0.43 -0.34 0.00 -1.18 0.00 0.00 61.69 59.81 3kwe s THR 101 Cb -0.25 -2.70 -0.17 0.00 1.34 0.00 0.00 72.50 70.72 3kwe s THR 101 CO -0.01 0.00 1.08 1.41 -0.54 0.00 0.00 174.62 176.57 3kwe n HIS 102 N -3.04 0.99 -0.89 3.99 8.25 -1.26 -1.65 115.22 121.61 3kwe n HIS 102 Ca 0.14 0.78 0.00 0.00 -0.26 0.00 0.00 57.72 58.38 3kwe n HIS 102 Cb 0.60 -2.21 0.00 0.00 1.12 0.00 0.00 29.99 29.50 3kwe n HIS 102 CO 0.00 0.00 0.00 -1.33 0.64 0.00 0.00 176.34 175.65 3kwe n MET 103 N 1.67 -0.64 -1.95 -0.41 2.81 -1.22 -1.02 117.12 116.37 3kwe n MET 103 Ca 0.16 0.16 -0.36 0.00 -1.81 0.00 0.00 57.70 55.85 3kwe n MET 103 Cb 0.21 -3.88 0.04 0.00 -0.71 0.00 0.00 33.22 28.88 3kwe n MET 103 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 3kwe s ALA 104 N -1.83 2.50 -0.21 3.04 0.00 -0.66 -4.16 121.76 120.44 3kwe s ALA 104 Ca 0.00 1.05 0.02 0.00 0.00 0.00 0.00 51.96 53.02 3kwe s ALA 104 Cb 0.00 -3.47 0.04 0.00 0.00 0.00 0.00 23.12 19.69 3kwe s ALA 104 CO 0.00 -1.27 -0.15 -1.17 0.00 0.00 0.00 175.76 173.17 3kwe s LEU 105 N -4.16 2.67 -0.31 0.00 2.96 -0.47 -2.00 118.68 117.37 3kwe s LEU 105 Ca 0.78 -0.98 -0.05 0.00 -0.22 0.00 0.00 54.13 53.67 3kwe s LEU 105 Cb -0.32 -1.47 0.03 0.00 0.50 0.00 0.00 46.19 44.93 3kwe s LEU 105 CO 0.35 -0.09 0.06 -0.63 -1.32 0.00 0.00 176.35 174.71 3kwe s ILE 106 N 1.23 3.54 -0.15 6.68 -1.09 -0.60 -1.30 121.20 129.50 3kwe s ILE 106 Ca -0.01 -1.08 0.01 0.00 -2.23 0.00 0.00 60.65 57.33 3kwe s ILE 106 Cb -0.16 -2.95 0.02 0.00 -1.58 0.00 0.00 42.46 37.79 3kwe s ILE 106 CO -0.09 -0.06 -0.16 -2.28 -1.23 0.00 0.00 174.94 171.11 3kwe s HIS 107 N 1.38 2.36 0.61 3.97 2.46 -0.05 -2.09 115.29 123.93 3kwe s HIS 107 Ca -0.01 -1.33 -0.19 0.00 0.47 0.00 0.00 55.06 54.00 3kwe s HIS 107 Cb -0.19 -1.69 -0.03 0.00 -0.13 0.00 0.00 32.58 30.55 3kwe s HIS 107 CO 0.01 -0.69 1.26 0.20 -2.47 0.00 0.00 174.74 173.05 3kwe s GLY 108 N 1.34 2.81 0.09 1.59 0.00 0.44 -3.25 107.32 110.35 3kwe s GLY 108 Ca 0.03 1.13 -0.31 0.00 0.00 0.00 0.00 44.72 45.57 3kwe s GLY 108 CO -0.10 1.55 1.24 2.56 0.00 0.00 0.00 173.10 178.35 3kwe s PRO 109 N -3.28 4.42 -0.22 2.90 0.04 -1.26 -2.10 135.00 135.50 3kwe s PRO 109 Ca 0.79 1.86 -0.18 0.00 0.04 0.00 0.00 61.00 63.50 3kwe s PRO 109 Cb -0.34 -3.31 0.06 0.00 0.04 0.00 0.00 34.50 30.95 3kwe s PRO 109 CO 0.37 -0.27 0.56 0.00 0.04 0.00 0.00 177.00 177.70 3kwe s ALA 110 N 0.89 -1.42 -0.09 8.56 0.00 -0.52 -0.65 121.76 128.53 3kwe s ALA 110 Ca 0.59 1.70 0.02 0.00 0.00 0.00 0.00 51.96 54.27 3kwe s ALA 110 Cb -0.32 -0.99 0.01 0.00 0.00 0.00 0.00 23.12 21.82 3kwe s ALA 110 CO 0.31 -0.28 -0.15 -0.47 0.00 0.00 0.00 175.76 175.16 3kwe s TYR 111 N 0.61 1.89 -0.17 0.00 6.14 -0.69 -1.14 117.35 123.99 3kwe s TYR 111 Ca -0.03 -0.82 0.01 0.00 0.64 0.00 0.00 57.07 56.87 3kwe s TYR 111 Cb -0.05 -1.35 0.03 0.00 0.42 0.00 0.00 41.96 41.01 3kwe s TYR 111 CO -0.04 -0.41 -0.12 0.42 0.64 0.00 0.00 175.55 176.05 3kwe s ILE 112 N 0.80 1.57 0.91 3.14 1.01 0.27 -0.31 121.20 128.59 3kwe s ILE 112 Ca -0.11 -0.80 -0.13 0.00 0.00 0.00 0.00 60.65 59.62 3kwe s ILE 112 Cb -0.16 -1.57 0.14 0.00 0.01 0.00 0.00 42.46 40.88 3kwe s ILE 112 CO 0.02 0.31 1.16 -0.83 0.00 0.00 0.00 174.94 175.60 3kwe s GLY 113 N 1.46 1.60 0.35 6.18 0.00 0.12 -0.58 107.32 116.45 3kwe s GLY 113 Ca 0.02 -0.64 -0.28 0.00 0.00 0.00 0.00 44.72 43.82 3kwe s GLY 113 CO -0.09 -0.06 1.36 1.22 0.00 0.00 0.00 173.10 175.52 3kwe n ASP 114 N -3.72 3.09 0.00 1.64 10.43 -1.26 -2.87 116.55 123.86 3kwe n ASP 114 Ca 0.08 1.21 0.00 0.00 2.57 0.00 0.00 54.79 58.65 3kwe n ASP 114 Cb 0.60 -1.53 0.00 0.00 1.84 0.00 0.00 41.12 42.03 3kwe n ASP 114 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 3kwe n GLY 115 N 0.73 0.77 3.77 0.44 0.00 0.31 -0.82 105.19 110.39 3kwe n GLY 115 Ca 0.04 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.69 3kwe n GLY 115 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kwe s PHE 117 N -1.61 3.00 -0.31 0.00 5.36 -0.55 -1.59 117.98 122.28 3kwe s PHE 117 Ca 0.68 -0.58 -0.00 0.00 -0.96 0.00 0.00 56.93 56.07 3kwe s PHE 117 Cb -0.28 -2.07 0.07 0.00 -0.34 0.00 0.00 43.02 40.40 3kwe s PHE 117 CO 0.33 -0.30 0.02 0.42 -1.46 0.00 0.00 175.22 174.22 3kwe s ILE 118 N 1.05 2.77 1.03 3.12 -1.09 -0.00 -0.58 121.20 127.49 3kwe s ILE 118 Ca 0.01 -1.68 -0.16 0.00 -2.23 0.00 0.00 60.65 56.59 3kwe s ILE 118 Cb -0.14 -2.71 0.22 0.00 -1.58 0.00 0.00 42.46 38.24 3kwe s ILE 118 CO 0.01 -0.25 1.22 -0.83 -1.23 0.00 0.00 174.94 173.86 3kwe s GLY 119 N 1.27 1.68 0.26 6.18 0.00 0.47 -1.88 107.32 115.30 3kwe s GLY 119 Ca -0.02 -1.01 -0.31 0.00 0.00 0.00 0.00 44.72 43.39 3kwe s GLY 119 CO -0.03 -0.24 1.64 -1.36 0.00 0.00 0.00 173.10 173.11 3kwe s PHE 120 N -3.51 2.80 -1.23 1.90 2.99 -1.26 -2.40 117.98 117.27 3kwe s PHE 120 Ca 0.71 0.62 0.00 0.00 0.00 0.00 0.00 56.93 58.26 3kwe s PHE 120 Cb -0.07 -4.10 0.00 0.00 0.00 0.00 0.00 43.02 38.85 3kwe s PHE 120 CO 0.54 -3.87 0.00 -2.13 -0.00 0.00 0.00 175.22 169.76 3kwe n ARG 121 N 2.81 -0.98 -3.90 0.44 0.63 -0.19 -0.79 116.66 114.68 3kwe n ARG 121 Ca 0.11 0.77 -0.31 0.00 -0.92 0.00 0.00 57.85 57.50 3kwe n ARG 121 Cb 0.37 -4.92 -0.04 0.00 0.45 0.00 0.00 32.46 28.31 3kwe n ARG 121 CO 0.00 0.00 0.00 -1.12 -2.51 0.00 0.00 177.63 174.00 3kwe s SER 122 N -2.61 6.37 -0.05 6.15 0.01 -1.01 -3.98 113.70 118.59 3kwe s SER 122 Ca 0.00 0.30 0.06 0.00 1.31 0.00 0.00 55.95 57.63 3kwe s SER 122 Cb 0.00 -1.97 -0.01 0.00 0.21 0.00 0.00 66.02 64.24 3kwe s SER 122 CO 0.00 0.17 -0.24 0.28 0.41 0.00 0.00 173.24 173.86 3kwe s THR 123 N -1.51 2.15 -0.16 1.44 -1.32 0.05 -1.37 115.64 114.92 3kwe s THR 123 Ca 0.35 -1.04 0.00 0.00 -1.21 0.00 0.00 61.69 59.79 3kwe s THR 123 Cb -0.13 -1.78 0.03 0.00 -1.51 0.00 0.00 72.50 69.11 3kwe s THR 123 CO 0.27 0.57 -0.13 -0.69 -2.21 0.00 0.00 174.62 172.43 3kwe s VAL 124 N -0.28 1.57 -0.06 5.08 1.01 -0.42 -0.72 120.40 126.58 3kwe s VAL 124 Ca 0.00 -0.73 -0.02 0.00 0.00 0.00 0.00 61.98 61.23 3kwe s VAL 124 Cb -0.13 -1.53 0.04 0.00 0.00 0.00 0.00 36.38 34.76 3kwe s VAL 124 CO 0.03 0.37 0.12 0.12 0.00 0.00 0.00 175.10 175.74 3kwe s PHE 125 N 1.47 -0.13 -1.27 5.22 5.36 -0.51 -0.87 117.98 127.25 3kwe s PHE 125 Ca 0.03 0.42 -0.06 0.00 -0.96 0.00 0.00 56.93 56.36 3kwe s PHE 125 Cb -0.14 -0.12 -0.01 0.00 -0.34 0.00 0.00 43.02 42.42 3kwe s PHE 125 CO -0.10 -0.16 0.66 -1.71 -1.46 0.00 0.00 175.22 172.46 3kwe n ASN 126 N 4.24 -2.41 -3.56 6.13 5.15 0.18 -2.53 115.26 122.45 3kwe n ASN 126 Ca -0.26 -0.92 -0.12 0.00 -0.60 0.00 0.00 54.58 52.68 3kwe n ASN 126 Cb 0.51 -3.68 -0.04 0.00 -0.53 0.00 0.00 39.78 36.04 3kwe n ASN 126 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 3kwe s ALA 127 N -3.67 -1.20 -0.11 5.20 0.00 -1.02 -1.12 121.76 119.84 3kwe s ALA 127 Ca 0.16 0.25 0.03 0.00 0.00 0.00 0.00 51.96 52.40 3kwe s ALA 127 Cb -0.05 0.67 0.00 0.00 0.00 0.00 0.00 23.12 23.74 3kwe s ALA 127 CO 0.84 -0.64 -0.23 0.50 0.00 0.00 0.00 175.76 176.23 3kwe s ARG 128 N -3.44 3.05 -0.23 0.00 3.52 -0.65 -1.71 118.95 119.49 3kwe s ARG 128 Ca 0.00 -0.86 -0.01 0.00 -0.13 0.00 0.00 55.73 54.73 3kwe s ARG 128 Cb 0.00 -2.35 0.03 0.00 -1.56 0.00 0.00 34.95 31.07 3kwe s ARG 128 CO -0.10 0.12 -0.10 0.08 -0.81 0.00 0.00 175.30 174.49 3kwe s VAL 129 N 0.48 2.61 0.84 7.11 1.01 0.57 -0.20 120.40 132.82 3kwe s VAL 129 Ca -0.15 -1.04 -0.11 0.00 0.00 0.00 0.00 61.98 60.68 3kwe s VAL 129 Cb -0.17 -2.28 0.10 0.00 0.00 0.00 0.00 36.38 34.02 3kwe s VAL 129 CO 0.06 0.28 1.11 -0.83 0.00 0.00 0.00 175.10 175.71 3kwe s GLY 130 N 1.30 1.67 0.36 4.51 0.00 0.17 -0.70 107.32 114.63 3kwe s GLY 130 Ca 0.01 0.31 -0.26 0.00 0.00 0.00 0.00 44.72 44.78 3kwe s GLY 130 CO -0.07 0.70 1.03 0.00 0.00 0.00 0.00 173.10 174.77 3kwe n ALA 131 N -3.81 0.14 -1.03 3.20 0.00 -1.26 -3.01 120.51 114.73 3kwe n ALA 131 Ca 0.09 0.31 -0.01 0.00 0.00 0.00 0.00 53.44 53.83 3kwe n ALA 131 Cb 0.53 -2.07 -0.00 0.00 0.00 0.00 0.00 19.45 17.90 3kwe n ALA 131 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3kwe n GLY 132 N 1.16 0.49 3.80 0.00 0.00 0.00 -1.03 105.19 109.61 3kwe n GLY 132 Ca 0.09 -0.28 -0.34 0.00 0.00 0.00 0.00 46.02 45.49 3kwe n GLY 132 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kwe s VAL 134 N -2.07 2.29 -0.24 0.00 1.01 -0.35 -1.47 120.40 119.56 3kwe s VAL 134 Ca 0.67 -1.99 -0.10 0.00 0.00 0.00 0.00 61.98 60.57 3kwe s VAL 134 Cb -0.16 -2.52 -0.04 0.00 0.00 0.00 0.00 36.38 33.65 3kwe s VAL 134 CO 0.24 -0.33 0.14 -0.69 0.00 0.00 0.00 175.10 174.45 3kwe s VAL 135 N 1.01 5.06 0.00 2.92 1.01 0.25 -0.97 120.40 129.68 3kwe s VAL 135 Ca 0.01 0.08 0.00 0.00 0.00 0.00 0.00 61.98 62.07 3kwe s VAL 135 Cb -0.20 -3.36 0.00 0.00 0.00 0.00 0.00 36.38 32.82 3kwe s VAL 135 CO -0.06 0.33 0.00 0.23 0.00 0.00 0.00 175.10 175.60 3kwe n MET 136 N 4.51 3.37 -3.77 2.72 2.81 -0.36 -0.39 117.12 126.01 3kwe n MET 136 Ca -0.15 0.00 -0.33 0.00 -1.81 0.00 0.00 57.70 55.41 3kwe n MET 136 Cb 0.52 0.00 -0.05 0.00 -0.71 0.00 0.00 33.22 32.98 3kwe n MET 136 CO 0.00 0.00 0.00 -1.64 1.51 0.00 0.00 175.97 175.84 3kwe s MET 137 N 1.43 3.56 -1.42 0.03 -1.94 -1.26 -3.05 119.30 116.65 3kwe s MET 137 Ca 0.00 -0.17 -0.10 0.00 -1.71 0.00 0.00 55.69 53.71 3kwe s MET 137 Cb 0.00 -2.98 0.03 0.00 2.01 0.00 0.00 34.83 33.88 3kwe s MET 137 CO 0.00 0.57 1.07 0.72 -0.01 0.00 0.00 175.02 177.37 3kwe n HIS 138 N 0.53 -2.65 -3.98 -0.03 8.25 0.03 -1.02 115.22 116.35 3kwe n HIS 138 Ca -0.06 0.93 -0.35 0.00 -0.26 0.00 0.00 57.72 57.99 3kwe n HIS 138 Cb 0.52 -4.70 -0.06 0.00 1.12 0.00 0.00 29.99 26.86 3kwe n HIS 138 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 3kwe s VAL 139 N -3.29 5.21 -0.16 1.59 1.01 -1.26 -2.98 120.40 120.51 3kwe s VAL 139 Ca 0.58 -0.11 -0.03 0.00 0.00 0.00 0.00 61.98 62.42 3kwe s VAL 139 Cb -0.26 -3.35 -0.02 0.00 0.00 0.00 0.00 36.38 32.74 3kwe s VAL 139 CO 0.71 0.45 -0.07 -0.22 0.00 0.00 0.00 175.10 175.97 3kwe s LEU 140 N -1.53 2.99 -0.20 3.92 2.96 -0.54 -0.77 118.68 125.52 3kwe s LEU 140 Ca 0.21 -0.26 0.01 0.00 -0.22 0.00 0.00 54.13 53.88 3kwe s LEU 140 Cb -0.12 -1.71 0.04 0.00 0.50 0.00 0.00 46.19 44.89 3kwe s LEU 140 CO 0.12 0.13 -0.12 -0.63 -1.32 0.00 0.00 176.35 174.52 3kwe s ILE 141 N 0.61 1.75 -0.09 6.68 1.01 0.10 -0.12 121.20 131.14 3kwe s ILE 141 Ca -0.04 -1.01 -0.07 0.00 0.00 0.00 0.00 60.65 59.52 3kwe s ILE 141 Cb -0.15 -1.77 0.03 0.00 0.01 0.00 0.00 42.46 40.59 3kwe s ILE 141 CO 0.03 0.25 0.24 -1.58 0.00 0.00 0.00 174.94 173.87 3kwe s GLN 142 N 1.36 0.25 -1.18 2.79 0.74 -0.41 -1.43 119.66 121.79 3kwe s GLN 142 Ca -0.00 0.40 -0.01 0.00 0.05 0.00 0.00 55.36 55.79 3kwe s GLN 142 Cb -0.16 0.05 0.00 0.00 1.10 0.00 0.00 33.01 34.00 3kwe s GLN 142 CO -0.09 -0.08 0.14 -0.25 -0.55 0.00 0.00 175.29 174.46 3kwe n ASP 143 N 3.38 -4.49 -4.05 6.67 10.43 -0.27 -4.13 116.55 124.09 3kwe n ASP 143 Ca -0.17 -0.07 -0.09 0.00 2.57 0.00 0.00 54.79 57.02 3kwe n ASP 143 Cb 0.57 -3.55 -0.09 0.00 1.84 0.00 0.00 41.12 39.89 3kwe n ASP 143 CO 0.00 0.00 0.00 0.68 -1.07 0.00 0.00 177.20 176.81 3kwe s VAL 144 N -2.80 0.10 -0.19 2.53 -7.23 -1.21 -4.61 120.40 106.98 3kwe s VAL 144 Ca 0.07 -1.64 -0.02 0.00 -1.81 0.00 0.00 61.98 58.57 3kwe s VAL 144 Cb -0.03 -1.86 -0.01 0.00 0.56 0.00 0.00 36.38 35.04 3kwe s VAL 144 CO 0.08 -0.46 -0.09 -0.70 -0.31 0.00 0.00 175.10 173.62 3kwe s GLU 145 N -3.99 3.33 -0.21 4.82 2.12 -1.26 -1.64 118.70 121.87 3kwe s GLU 145 Ca 0.18 -0.67 -0.11 0.00 0.36 0.00 0.00 54.97 54.74 3kwe s GLU 145 Cb 0.06 -2.84 -0.05 0.00 0.26 0.00 0.00 34.13 31.56 3kwe s GLU 145 CO -0.01 -0.08 0.16 0.42 -0.54 0.00 0.00 175.26 175.21 3kwe s ILE 146 N 1.12 5.39 0.84 -3.70 1.01 0.71 -4.83 121.20 121.73 3kwe s ILE 146 Ca 0.01 0.23 -0.12 0.00 0.00 0.00 0.00 60.65 60.77 3kwe s ILE 146 Cb -0.14 -3.50 0.09 0.00 0.01 0.00 0.00 42.46 38.92 3kwe s ILE 146 CO -0.02 0.41 1.11 -2.16 0.00 0.00 0.00 174.94 174.28 3kwe s PRO 147 N 0.55 1.75 0.57 2.79 0.04 -1.26 -0.66 135.00 138.78 3kwe s PRO 147 Ca 0.09 0.56 -0.20 0.00 0.04 0.00 0.00 61.00 61.49 3kwe s PRO 147 Cb -0.12 -1.89 -0.05 0.00 0.04 0.00 0.00 34.50 32.48 3kwe s PRO 147 CO 0.00 -1.84 1.07 -2.30 0.04 0.00 0.00 177.00 173.97 3kwe n PRO 148 N -3.57 1.12 -1.95 0.56 -0.02 -1.26 -3.76 135.00 126.13 3kwe n PRO 148 Ca 0.07 0.42 -0.07 0.00 -2.02 0.00 0.00 63.50 61.91 3kwe n PRO 148 Cb 0.57 -2.25 -0.01 0.00 -0.02 0.00 0.00 33.50 31.79 3kwe n PRO 148 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3kwe n GLY 149 N 1.15 0.25 3.85 -1.23 0.00 -0.20 -4.92 105.19 104.08 3kwe n GLY 149 Ca 0.13 -0.64 -0.27 0.00 0.00 0.00 0.00 46.02 45.24 3kwe n GLY 149 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3kwe s LYS 150 N -3.99 3.10 -0.12 1.61 -0.14 -1.25 -0.85 119.74 118.11 3kwe s LYS 150 Ca 0.00 -0.72 -0.02 0.00 -1.36 0.00 0.00 55.97 53.87 3kwe s LYS 150 Cb 0.00 -2.79 -0.03 0.00 -1.68 0.00 0.00 37.83 33.33 3kwe s LYS 150 CO 0.00 0.52 -0.05 -0.47 -0.76 0.00 0.00 175.35 174.59 3kwe s TYR 151 N -1.66 2.99 -0.27 3.18 5.04 0.02 -1.21 117.35 125.45 3kwe s TYR 151 Ca 0.32 -0.16 0.03 0.00 -2.44 0.00 0.00 57.07 54.82 3kwe s TYR 151 Cb -0.11 -1.85 0.07 0.00 0.35 0.00 0.00 41.96 40.42 3kwe s TYR 151 CO 0.25 0.13 -0.08 0.08 -1.34 0.00 0.00 175.55 174.58 3kwe s VAL 152 N -0.16 2.15 0.75 3.14 1.01 -0.15 -4.04 120.40 123.10 3kwe s VAL 152 Ca 0.03 -1.72 -0.15 0.00 0.00 0.00 0.00 61.98 60.14 3kwe s VAL 152 Cb -0.13 -2.31 0.05 0.00 0.00 0.00 0.00 36.38 33.99 3kwe s VAL 152 CO 0.03 -0.12 1.21 -2.84 0.00 0.00 0.00 175.10 173.38 3kwe s PRO 153 N 1.09 2.01 0.39 2.72 0.02 -1.26 -1.22 135.00 138.75 3kwe s PRO 153 Ca -0.06 1.78 -0.27 0.00 0.02 0.00 0.00 61.00 62.47 3kwe s PRO 153 Cb -0.20 -1.82 -0.11 0.00 0.02 0.00 0.00 34.50 32.40 3kwe s PRO 153 CO -0.06 -1.93 1.38 0.43 -0.33 0.00 0.00 177.00 176.49 3kwe n SER 154 N -2.84 3.18 0.00 2.53 7.64 -1.26 -2.68 113.62 120.19 3kwe n SER 154 Ca 0.14 1.18 0.00 0.00 1.01 0.00 0.00 58.87 61.19 3kwe n SER 154 Cb 0.50 -1.56 0.00 0.00 -1.01 0.00 0.00 64.21 62.14 3kwe n SER 154 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3kwe n GLY 155 N 0.63 1.62 3.77 0.23 0.00 -0.19 -4.94 105.19 106.31 3kwe n GLY 155 Ca 0.04 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.67 3kwe n GLY 155 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 3kwe s MET 156 N -0.31 4.24 -0.39 1.61 1.00 -1.09 -4.84 119.30 119.52 3kwe s MET 156 Ca 0.00 1.86 0.02 0.00 0.00 0.00 0.00 55.69 57.57 3kwe s MET 156 Cb 0.00 -2.84 0.11 0.00 0.00 0.00 0.00 34.83 32.10 3kwe s MET 156 CO 0.00 -0.17 0.14 0.08 0.00 0.00 0.00 175.02 175.07 3kwe s VAL 157 N -1.34 2.69 -0.42 -6.03 1.01 -1.26 -1.47 120.40 113.59 3kwe s VAL 157 Ca 0.53 -2.37 -0.13 0.00 0.00 0.00 0.00 61.98 60.02 3kwe s VAL 157 Cb -0.32 -2.91 0.05 0.00 0.00 0.00 0.00 36.38 33.20 3kwe s VAL 157 CO 0.40 -0.66 0.29 -0.63 0.00 0.00 0.00 175.10 174.50 3kwe s ILE 158 N 0.83 4.81 0.00 2.22 -1.09 0.83 -4.87 121.20 123.93 3kwe s ILE 158 Ca 0.11 -0.99 0.00 0.00 -2.23 0.00 0.00 60.65 57.54 3kwe s ILE 158 Cb -0.21 -3.79 0.00 0.00 -1.58 0.00 0.00 42.46 36.88 3kwe s ILE 158 CO -0.06 -0.40 0.28 0.35 -1.23 0.00 0.00 174.94 173.88 3kwe n THR 159 N 5.07 0.00 -4.13 2.92 -2.24 -1.26 -1.28 114.28 113.35 3kwe n THR 159 Ca -0.11 -0.34 -0.16 0.00 -2.27 0.00 0.00 64.05 61.16 3kwe n THR 159 Cb 0.45 1.26 -0.12 0.00 -2.10 0.00 0.00 70.33 69.82 3kwe n THR 159 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 3kwe s THR 160 N -0.13 0.91 0.37 4.28 -4.23 -1.26 -4.75 115.64 110.82 3kwe s THR 160 Ca 0.00 -1.22 0.08 0.00 -1.18 0.00 0.00 61.69 59.37 3kwe s THR 160 Cb 0.00 -0.90 0.15 0.00 1.34 0.00 0.00 72.50 73.08 3kwe s THR 160 CO 0.00 -0.28 1.88 -0.61 -0.54 0.00 0.00 174.62 175.08 3kwe h GLN 161 N 4.38 0.31 -0.84 3.99 5.75 -1.93 -2.06 115.11 124.71 3kwe h GLN 161 Ca -0.39 -0.08 0.06 0.00 -0.15 0.00 0.00 58.65 58.09 3kwe h GLN 161 Cb 1.20 -0.04 -0.06 0.00 1.07 0.00 0.00 27.48 29.65 3kwe h GLN 161 CO 0.40 0.44 0.52 1.96 -2.65 0.00 0.00 178.83 179.50 3kwe h GLN 162 N 0.29 0.92 -0.25 1.69 7.50 -1.98 0.36 115.11 123.64 3kwe h GLN 162 Ca 0.06 -0.06 -0.03 0.00 0.50 0.00 0.00 58.65 59.12 3kwe h GLN 162 Cb 0.41 -0.21 -0.01 0.00 0.05 0.00 0.00 27.48 27.72 3kwe h GLN 162 CO 0.02 0.61 0.03 1.96 -1.50 0.00 0.00 178.83 179.95 3kwe h GLN 163 N 0.95 0.43 -0.79 1.46 4.20 -1.81 -2.97 115.11 116.57 3kwe h GLN 163 Ca 0.36 -0.12 0.04 0.00 0.06 0.00 0.00 58.65 58.99 3kwe h GLN 163 Cb 0.16 -0.05 -0.05 0.00 0.30 0.00 0.00 27.48 27.84 3kwe h GLN 163 CO -0.17 0.57 0.52 0.00 -0.67 0.00 0.00 178.83 179.08 3kwe h ALA 164 N 0.85 1.55 0.00 3.87 0.00 -0.89 -1.80 119.26 122.83 3kwe h ALA 164 Ca 0.08 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.95 3kwe h ALA 164 Cb 0.35 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 17.88 3kwe h ALA 164 CO 0.01 0.36 0.00 -0.25 0.00 0.00 0.00 179.25 179.37 3kwe n ASP 165 N -4.46 0.24 -0.19 0.00 8.00 0.06 -2.57 116.55 117.64 3kwe n ASP 165 Ca 0.11 0.55 0.12 0.00 0.71 0.00 0.00 54.79 56.28 3kwe n ASP 165 Cb 0.14 -0.61 0.18 0.00 -0.02 0.00 0.00 41.12 40.82 3kwe n ASP 165 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 3kwe n ARG 166 N -1.76 0.54 -2.06 -1.24 1.74 -0.68 -4.99 116.66 108.20 3kwe n ARG 166 Ca 0.04 -0.37 -0.39 0.00 -0.77 0.00 0.00 57.85 56.35 3kwe n ARG 166 Cb 0.23 -1.49 -0.00 0.00 -1.02 0.00 0.00 32.46 30.17 3kwe n ARG 166 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 3kwe s LEU 167 N -2.72 4.16 0.68 0.55 1.43 -1.06 -5.00 118.68 116.72 3kwe s LEU 167 Ca 0.17 2.61 -0.11 0.00 -1.03 0.00 0.00 54.13 55.77 3kwe s LEU 167 Cb 0.18 -3.98 -0.00 0.00 0.03 0.00 0.00 46.19 42.42 3kwe s LEU 167 CO 0.64 -0.92 1.05 -2.16 0.23 0.00 0.00 176.35 175.20 3kwe s PRO 168 N -2.36 3.08 0.44 1.29 0.04 -1.26 -4.87 135.00 131.37 3kwe s PRO 168 Ca 0.59 0.86 -0.23 0.00 0.04 0.00 0.00 61.00 62.26 3kwe s PRO 168 Cb -0.37 -2.01 -0.08 0.00 0.04 0.00 0.00 34.50 32.08 3kwe s PRO 168 CO 0.47 -0.97 1.10 -0.80 0.04 0.00 0.00 177.00 176.84 3kwe s ASN 169 N -3.93 6.41 0.21 6.66 0.01 -1.26 -0.80 114.94 122.24 3kwe s ASN 169 Ca 0.57 2.15 -0.32 0.00 -0.71 0.00 0.00 52.86 54.55 3kwe s ASN 169 Cb -0.13 -2.59 -0.12 0.00 0.41 0.00 0.00 41.25 38.82 3kwe s ASN 169 CO 0.55 -0.74 1.67 0.52 -1.51 0.00 0.00 177.10 177.58 3kwe n VAL 170 N -0.41 0.16 -3.75 1.60 0.31 -0.03 -4.56 118.33 111.65 3kwe n VAL 170 Ca 0.07 -0.04 -0.21 0.00 -0.01 0.00 0.00 64.34 64.14 3kwe n VAL 170 Cb 0.49 -1.87 -0.04 0.00 -0.91 0.00 0.00 33.84 31.52 3kwe n VAL 170 CO 0.00 0.00 0.00 -1.61 -1.32 0.00 0.00 176.83 173.90 3kwe s GLU 171 N 0.84 2.58 0.33 5.55 0.41 -1.26 -5.01 118.70 122.15 3kwe s GLU 171 Ca 0.74 -1.45 0.05 0.00 -0.41 0.00 0.00 54.97 53.90 3kwe s GLU 171 Cb -0.55 -2.38 0.69 0.00 -1.78 0.00 0.00 34.13 30.12 3kwe s GLU 171 CO 0.36 -0.03 1.90 1.49 -0.49 0.00 0.00 175.26 178.49 3kwe h GLU 172 N 1.20 0.81 -0.12 1.61 4.57 -2.00 -0.63 114.58 120.01 3kwe h GLU 172 Ca -0.43 -0.05 -0.04 0.00 -1.18 0.00 0.00 59.36 57.66 3kwe h GLU 172 Cb 1.26 -0.18 -0.01 0.00 -0.16 0.00 0.00 28.75 29.66 3kwe h GLU 172 CO 0.59 0.54 -0.11 0.66 -1.18 0.00 0.00 179.01 179.51 3kwe h SER 173 N 0.83 0.18 -0.20 1.04 4.64 -1.98 -0.50 113.55 117.56 3kwe h SER 173 Ca 0.41 -0.03 -0.14 0.00 -0.47 0.00 0.00 61.79 61.56 3kwe h SER 173 Cb 0.44 -0.05 0.00 0.00 -0.31 0.00 0.00 62.40 62.49 3kwe h SER 173 CO -0.17 0.31 -0.42 0.44 -0.87 0.00 0.00 176.83 176.12 3kwe h ASP 174 N 0.18 0.71 -0.57 4.97 3.32 -1.52 -1.29 116.42 122.22 3kwe h ASP 174 Ca 0.04 -0.56 -0.02 0.00 0.02 0.00 0.00 57.03 56.52 3kwe h ASP 174 Cb 0.31 -0.20 -0.03 0.00 0.22 0.00 0.00 39.33 39.63 3kwe h ASP 174 CO 0.02 1.13 0.29 0.40 -1.72 0.00 0.00 179.24 179.36 3kwe h ILE 175 N 0.31 1.20 -0.65 0.35 2.04 -1.18 -1.55 117.51 118.03 3kwe h ILE 175 Ca 0.00 -0.53 -0.02 0.00 1.00 0.00 0.00 64.86 65.31 3kwe h ILE 175 Cb 1.02 0.51 -0.03 0.00 -0.74 0.00 0.00 36.82 37.58 3kwe h ILE 175 CO 0.09 0.22 0.33 0.45 0.00 0.00 0.00 178.15 179.24 3kwe h HIS 176 N 0.76 0.91 0.17 1.37 3.86 -1.06 0.62 115.15 121.78 3kwe h HIS 176 Ca 0.20 -0.04 -0.00 0.00 -1.16 0.00 0.00 60.37 59.37 3kwe h HIS 176 Cb 0.09 -0.29 -0.01 0.00 1.06 0.00 0.00 27.41 28.26 3kwe h HIS 176 CO -0.01 0.67 -0.12 0.35 0.86 0.00 0.00 177.93 179.69 3kwe h PHE 177 N 0.89 -0.31 -0.69 2.45 3.57 -1.05 -0.51 116.94 121.28 3kwe h PHE 177 Ca 0.22 -0.00 0.04 0.00 3.53 0.00 0.00 57.97 61.76 3kwe h PHE 177 Cb 0.09 0.11 -0.05 0.00 2.79 0.00 0.00 35.95 38.89 3kwe h PHE 177 CO -0.00 -0.19 0.42 0.00 -2.23 0.00 0.00 178.31 176.31 3kwe h ALA 178 N 0.53 0.92 -0.91 2.41 0.00 -1.07 -1.32 119.26 119.82 3kwe h ALA 178 Ca -0.01 -0.01 0.01 0.00 0.00 0.00 0.00 54.91 54.90 3kwe h ALA 178 Cb 0.25 -0.19 -0.05 0.00 0.00 0.00 0.00 17.79 17.80 3kwe h ALA 178 CO 0.00 0.17 0.61 1.96 0.00 0.00 0.00 179.25 181.98 3kwe h GLN 179 N 0.81 1.19 0.00 0.00 1.08 -0.67 -1.39 115.11 116.12 3kwe h GLN 179 Ca 0.29 -0.07 -0.08 0.00 -1.45 0.00 0.00 58.65 57.33 3kwe h GLN 179 Cb 0.08 -0.27 -0.01 0.00 -0.05 0.00 0.00 27.48 27.23 3kwe h GLN 179 CO -0.13 0.79 -0.40 1.25 -0.95 0.00 0.00 178.83 179.38 3kwe h HIS 180 N 1.22 0.00 0.02 2.96 2.76 -0.01 -3.07 115.15 119.04 3kwe h HIS 180 Ca 0.34 0.00 -0.11 0.00 -2.20 0.00 0.00 60.37 58.40 3kwe h HIS 180 Cb -0.12 0.00 0.01 0.00 1.55 0.00 0.00 27.41 28.86 3kwe h HIS 180 CO -0.00 0.40 -0.46 0.28 -1.30 0.00 0.00 177.93 176.85 3kwe h VAL 181 N 0.00 1.51 -0.00 5.26 2.07 -0.92 -3.51 116.25 120.66 3kwe h VAL 181 Ca -0.00 -2.12 0.00 0.00 0.82 0.00 0.00 66.70 65.40 3kwe h VAL 181 Cb 0.78 2.81 0.00 0.00 -1.52 0.00 0.00 31.29 33.36 3kwe h VAL 181 CO 0.05 0.60 0.00 1.33 0.02 0.00 0.00 177.57 179.57