#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kwc s SER 5 N 0.00 4.53 0.07 1.69 0.01 -1.26 -2.34 113.70 116.40 3kwc s SER 5 Ca 0.00 -0.11 0.02 0.00 1.31 0.00 0.00 55.95 57.17 3kwc s SER 5 Cb 0.00 -1.37 -0.03 0.00 0.21 0.00 0.00 66.02 64.83 3kwc s SER 5 CO 0.00 0.28 -0.08 -0.31 0.41 0.00 0.00 173.24 173.54 3kwc s TYR 6 N -0.32 0.83 0.54 2.43 2.02 -0.25 -5.02 117.35 117.57 3kwc s TYR 6 Ca 0.04 -0.65 -0.18 0.00 -0.37 0.00 0.00 57.07 55.91 3kwc s TYR 6 Cb -0.13 -0.48 -0.06 0.00 -0.40 0.00 0.00 41.96 40.90 3kwc s TYR 6 CO 0.02 -0.08 1.05 0.00 -1.57 0.00 0.00 175.55 174.98 3kwc s ALA 7 N -2.21 2.80 0.60 3.71 0.00 -1.26 -1.37 121.76 124.02 3kwc s ALA 7 Ca -0.01 0.53 -0.19 0.00 0.00 0.00 0.00 51.96 52.29 3kwc s ALA 7 Cb -0.04 -3.25 -0.03 0.00 0.00 0.00 0.00 23.12 19.79 3kwc s ALA 7 CO -0.01 -0.57 1.26 0.00 0.00 0.00 0.00 175.76 176.44 3kwc s ALA 8 N -2.17 2.55 0.48 0.00 0.00 0.29 -4.45 121.76 118.45 3kwc s ALA 8 Ca 0.66 1.14 -0.17 0.00 0.00 0.00 0.00 51.96 53.59 3kwc s ALA 8 Cb -0.17 -3.51 -0.09 0.00 0.00 0.00 0.00 23.12 19.36 3kwc s ALA 8 CO 0.28 -1.34 0.95 -1.25 0.00 0.00 0.00 175.76 174.41 3kwc s PRO 9 N -3.25 4.02 0.17 0.00 0.04 -1.26 -4.39 135.00 130.32 3kwc s PRO 9 Ca 0.78 0.96 -0.30 0.00 0.04 0.00 0.00 61.00 62.48 3kwc s PRO 9 Cb -0.35 -2.17 -0.08 0.00 0.04 0.00 0.00 34.50 31.94 3kwc s PRO 9 CO 0.38 -0.17 1.24 -1.25 0.04 0.00 0.00 177.00 177.23 3kwc s PRO 10 N -3.77 4.45 0.23 0.56 0.04 -1.26 -4.80 135.00 130.44 3kwc s PRO 10 Ca 0.59 1.92 -0.03 0.00 0.04 0.00 0.00 61.00 63.52 3kwc s PRO 10 Cb -0.10 -3.24 -0.03 0.00 0.04 0.00 0.00 34.50 31.17 3kwc s PRO 10 CO 0.26 -0.17 0.25 0.95 0.04 0.00 0.00 177.00 178.32 3kwc s THR 11 N 0.21 0.00 0.65 1.26 -4.23 0.04 -5.00 115.64 108.58 3kwc s THR 11 Ca 0.55 -1.83 0.38 0.00 -1.18 0.00 0.00 61.69 59.61 3kwc s THR 11 Cb -0.33 -2.44 0.39 0.00 1.34 0.00 0.00 72.50 71.46 3kwc s THR 11 CO 0.36 0.00 2.21 -0.65 -0.54 0.00 0.00 174.62 176.00 3kwc h PRO 12 N 2.46 0.00 -0.01 3.99 0.11 -2.01 -2.77 132.00 133.78 3kwc h PRO 12 Ca -0.32 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.79 3kwc h PRO 12 Cb 1.25 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.36 3kwc h PRO 12 CO 0.47 0.00 -0.36 -2.67 -0.21 0.00 0.00 178.00 175.23 3kwc n TRP 13 N -3.18 0.00 -3.77 0.65 2.14 -1.26 -5.02 117.44 107.00 3kwc n TRP 13 Ca -0.02 0.00 -0.13 0.00 2.07 0.00 0.00 57.50 59.42 3kwc n TRP 13 Cb 0.19 0.00 -0.11 0.00 -0.81 0.00 0.00 31.31 30.58 3kwc n TRP 13 CO 0.00 0.00 0.00 0.45 2.07 0.00 0.00 177.69 180.21 3kwc s SER 14 N -1.80 -0.29 0.00 -0.67 0.15 -1.05 -5.04 113.70 105.00 3kwc s SER 14 Ca 0.10 0.52 0.00 0.00 0.70 0.00 0.00 55.95 57.26 3kwc s SER 14 Cb 0.11 0.57 0.00 0.00 -1.71 0.00 0.00 66.02 64.98 3kwc s SER 14 CO 0.39 -0.16 0.43 0.54 1.20 0.00 0.00 173.24 175.64 3kwc n ARG 15 N 2.66 0.00 0.00 5.44 1.74 -1.26 -0.78 116.66 124.46 3kwc n ARG 15 Ca -0.14 -0.43 0.12 0.00 -0.77 0.00 0.00 57.85 56.63 3kwc n ARG 15 Cb 0.58 -0.47 0.31 0.00 -1.02 0.00 0.00 32.46 31.86 3kwc n ARG 15 CO 0.00 0.00 0.00 -0.40 -1.52 0.00 0.00 177.63 175.71 3kwc n ASP 16 N 0.00 0.75 -4.06 0.55 5.75 -1.26 -4.96 116.55 113.32 3kwc n ASP 16 Ca 0.00 -0.56 -0.28 0.00 -0.01 0.00 0.00 54.79 53.94 3kwc n ASP 16 Cb 0.48 0.19 -0.03 0.00 -1.03 0.00 0.00 41.12 40.73 3kwc n ASP 16 CO 0.00 0.00 0.00 0.18 -0.11 0.00 0.00 177.20 177.27 3kwc n LEU 17 N -1.09 -1.94 -4.77 -2.12 4.77 -1.26 -4.88 117.00 105.70 3kwc n LEU 17 Ca 0.09 -1.05 -0.37 0.00 -0.03 0.00 0.00 56.01 54.65 3kwc n LEU 17 Cb 0.34 -2.11 -0.01 0.00 -2.33 0.00 0.00 43.42 39.31 3kwc n LEU 17 CO 0.31 0.41 0.81 0.00 -1.33 0.00 0.00 177.39 177.59 3kwc s ALA 18 N -3.88 2.95 0.19 -1.18 0.00 -1.26 -4.25 121.76 114.33 3kwc s ALA 18 Ca 0.16 0.90 0.11 0.00 0.00 0.00 0.00 51.96 53.13 3kwc s ALA 18 Cb -0.09 -3.37 -0.04 0.00 0.00 0.00 0.00 23.12 19.62 3kwc s ALA 18 CO 0.91 -0.63 -0.24 -1.21 0.00 0.00 0.00 175.76 174.60 3kwc s GLU 19 N -2.76 1.52 0.35 0.00 2.02 -1.26 -0.54 118.70 118.03 3kwc s GLU 19 Ca 0.64 -1.52 -0.28 0.00 0.02 0.00 0.00 54.97 53.84 3kwc s GLU 19 Cb -0.27 -1.85 -0.12 0.00 0.10 0.00 0.00 34.13 31.98 3kwc s GLU 19 CO 0.33 0.40 1.24 -2.30 0.02 0.00 0.00 175.26 174.95 3kwc n PRO 20 N 0.29 1.97 -3.55 0.39 -0.02 -0.45 -4.54 135.00 129.09 3kwc n PRO 20 Ca -0.13 0.69 -0.41 0.00 -2.02 0.00 0.00 63.50 61.63 3kwc n PRO 20 Cb 0.56 -2.26 -0.10 0.00 -0.02 0.00 0.00 33.50 31.68 3kwc n PRO 20 CO 0.00 0.00 0.00 -1.21 1.98 0.00 0.00 175.50 176.27 3kwc s GLU 21 N -1.87 2.78 -0.22 -0.52 2.02 -0.60 -4.94 118.70 115.35 3kwc s GLU 21 Ca 0.57 -1.27 -0.05 0.00 0.02 0.00 0.00 54.97 54.23 3kwc s GLU 21 Cb -0.58 -3.85 -0.02 0.00 0.10 0.00 0.00 34.13 29.78 3kwc s GLU 21 CO 0.61 -0.86 0.01 0.42 0.02 0.00 0.00 175.26 175.46 3kwc s ILE 22 N 1.53 3.86 0.32 -1.63 1.01 -1.26 -1.29 121.20 123.73 3kwc s ILE 22 Ca 0.03 -0.33 -0.29 0.00 0.00 0.00 0.00 60.65 60.05 3kwc s ILE 22 Cb -0.22 -2.77 -0.11 0.00 0.01 0.00 0.00 42.46 39.37 3kwc s ILE 22 CO 0.05 0.40 1.57 0.00 0.00 0.00 0.00 174.94 176.96 3kwc s ALA 23 N 1.36 3.70 0.63 9.38 0.00 -0.69 -4.87 121.76 131.28 3kwc s ALA 23 Ca 0.05 1.59 0.36 0.00 0.00 0.00 0.00 51.96 53.95 3kwc s ALA 23 Cb -0.15 -3.64 2.03 0.00 0.00 0.00 0.00 23.12 21.37 3kwc s ALA 23 CO 0.01 -1.02 2.24 -1.00 0.00 0.00 0.00 175.76 175.98 3kwc h PRO 24 N 4.32 0.00 -0.00 0.00 0.13 -1.94 -0.72 132.00 133.79 3kwc h PRO 24 Ca -0.48 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.65 3kwc h PRO 24 Cb 1.23 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.36 3kwc h PRO 24 CO 0.75 0.00 -0.14 0.25 -0.23 0.00 0.00 178.00 178.63 3kwc n THR 25 N -3.39 0.00 -2.19 1.56 -2.24 -1.26 -4.87 114.28 101.89 3kwc n THR 25 Ca -0.02 -0.07 -0.31 0.00 -2.27 0.00 0.00 64.05 61.38 3kwc n THR 25 Cb 0.16 -0.01 -0.01 0.00 -2.10 0.00 0.00 70.33 68.37 3kwc n THR 25 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3kwc s ALA 26 N -2.50 3.12 -0.12 6.98 0.00 -0.28 -3.59 121.76 125.37 3kwc s ALA 26 Ca 0.27 -0.01 0.00 0.00 0.00 0.00 0.00 51.96 52.23 3kwc s ALA 26 Cb 0.20 -3.05 0.02 0.00 0.00 0.00 0.00 23.12 20.30 3kwc s ALA 26 CO 0.49 -0.44 -0.10 -0.47 0.00 0.00 0.00 175.76 175.23 3kwc s TYR 27 N -2.88 1.72 -0.20 0.00 5.04 -0.18 -4.93 117.35 115.93 3kwc s TYR 27 Ca 0.56 -0.88 -0.03 0.00 -2.44 0.00 0.00 57.07 54.27 3kwc s TYR 27 Cb -0.10 -1.34 -0.01 0.00 0.35 0.00 0.00 41.96 40.85 3kwc s TYR 27 CO 0.43 -0.55 -0.05 0.08 -1.34 0.00 0.00 175.55 174.12 3kwc s VAL 28 N 1.54 3.43 0.31 3.14 1.01 -1.26 -1.44 120.40 127.13 3kwc s VAL 28 Ca 0.03 -0.49 -0.29 0.00 0.00 0.00 0.00 61.98 61.23 3kwc s VAL 28 Cb -0.13 -2.53 -0.10 0.00 0.00 0.00 0.00 36.38 33.61 3kwc s VAL 28 CO -0.08 0.45 1.35 -1.00 0.00 0.00 0.00 175.10 175.82 3kwc s HIS 29 N 1.13 3.01 0.26 5.22 3.76 -0.30 -4.94 115.29 123.42 3kwc s HIS 29 Ca 0.02 1.31 -0.03 0.00 -0.15 0.00 0.00 55.06 56.21 3kwc s HIS 29 Cb -0.15 -3.74 0.53 0.00 1.11 0.00 0.00 32.58 30.34 3kwc s HIS 29 CO -0.01 -2.12 1.68 1.03 -0.85 0.00 0.00 174.74 174.48 3kwc h SER 30 N 3.74 0.06 -0.68 1.40 0.87 -1.96 -3.28 113.55 113.70 3kwc h SER 30 Ca -0.48 0.15 -0.71 0.00 -1.23 0.00 0.00 61.79 59.52 3kwc h SER 30 Cb 1.23 0.20 -0.08 0.00 -0.44 0.00 0.00 62.40 63.30 3kwc h SER 30 CO 0.68 -0.04 2.52 0.33 -0.53 0.00 0.00 176.83 179.79 3kwc n PHE 31 N -5.15 3.90 -3.73 2.24 7.35 -1.26 -4.81 117.46 116.00 3kwc n PHE 31 Ca 0.16 -2.95 -0.07 0.00 -0.76 0.00 0.00 57.45 53.84 3kwc n PHE 31 Cb 0.51 -2.44 -0.02 0.00 0.35 0.00 0.00 39.48 37.88 3kwc n PHE 31 CO 0.00 0.00 0.00 -1.54 -0.76 0.00 0.00 176.76 174.46 3kwc s SER 32 N 3.07 -0.28 -0.05 -2.13 1.04 -1.24 0.61 113.70 114.71 3kwc s SER 32 Ca 0.47 -0.40 0.00 0.00 0.48 0.00 0.00 55.95 56.51 3kwc s SER 32 Cb 0.09 0.59 0.02 0.00 0.10 0.00 0.00 66.02 66.83 3kwc s SER 32 CO -0.02 -1.07 -0.03 0.21 0.98 0.00 0.00 173.24 173.32 3kwc s ASN 33 N -2.86 1.06 -0.11 7.02 2.47 -0.23 -4.81 114.94 117.48 3kwc s ASN 33 Ca 0.10 -0.10 0.02 0.00 0.42 0.00 0.00 52.86 53.29 3kwc s ASN 33 Cb -0.03 -0.42 0.01 0.00 -1.45 0.00 0.00 41.25 39.36 3kwc s ASN 33 CO 0.01 -0.10 -0.16 -0.76 -3.72 0.00 0.00 177.10 172.37 3kwc s LEU 34 N 1.24 1.77 -0.05 3.21 1.02 -0.99 -1.71 118.68 123.16 3kwc s LEU 34 Ca -0.06 -0.44 0.02 0.00 0.02 0.00 0.00 54.13 53.67 3kwc s LEU 34 Cb -0.14 -1.11 0.01 0.00 0.02 0.00 0.00 46.19 44.98 3kwc s LEU 34 CO -0.02 0.03 -0.09 -0.63 0.02 0.00 0.00 176.35 175.67 3kwc s ILE 35 N 0.90 0.84 0.00 -0.59 1.01 -0.46 -1.09 121.20 121.81 3kwc s ILE 35 Ca -0.08 -0.32 0.00 0.00 0.00 0.00 0.00 60.65 60.25 3kwc s ILE 35 Cb -0.15 -0.79 0.00 0.00 0.01 0.00 0.00 42.46 41.52 3kwc s ILE 35 CO -0.00 0.29 0.00 0.61 0.00 0.00 0.00 174.94 175.83 3kwc n GLY 36 N 3.81 -1.74 3.11 6.18 0.00 -0.47 -0.79 105.19 115.29 3kwc n GLY 36 Ca -0.23 -1.68 -0.41 0.00 0.00 0.00 0.00 46.02 43.70 3kwc n GLY 36 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 3kwc n ASP 37 N 0.07 3.76 -4.37 1.61 4.64 -1.26 -1.33 116.55 119.67 3kwc n ASP 37 Ca 0.00 -2.81 -0.38 0.00 -1.38 0.00 0.00 54.79 50.22 3kwc n ASP 37 Cb 0.00 -1.57 -0.12 0.00 -1.04 0.00 0.00 41.12 38.38 3kwc n ASP 37 CO 0.00 0.00 0.00 -0.69 -0.82 0.00 0.00 177.20 175.69 3kwc s VAL 38 N 4.71 4.18 -0.46 5.18 1.01 -1.26 -1.77 120.40 131.99 3kwc s VAL 38 Ca 0.53 -0.63 -0.12 0.00 0.00 0.00 0.00 61.98 61.77 3kwc s VAL 38 Cb 0.10 -3.16 0.09 0.00 0.00 0.00 0.00 36.38 33.41 3kwc s VAL 38 CO 0.02 0.05 0.34 -0.13 0.00 0.00 0.00 175.10 175.38 3kwc s ARG 39 N 1.53 2.73 -0.30 2.72 0.52 -0.68 -1.55 118.95 123.92 3kwc s ARG 39 Ca 0.03 -1.51 -0.08 0.00 -0.52 0.00 0.00 55.73 53.66 3kwc s ARG 39 Cb -0.17 -3.96 0.00 0.00 0.52 0.00 0.00 34.95 31.34 3kwc s ARG 39 CO 0.04 -1.06 0.10 0.42 0.02 0.00 0.00 175.30 174.82 3kwc s ILE 40 N 1.49 4.14 0.18 1.52 1.01 -0.41 -1.48 121.20 127.65 3kwc s ILE 40 Ca 0.04 -0.60 -0.01 0.00 0.00 0.00 0.00 60.65 60.07 3kwc s ILE 40 Cb -0.25 -3.12 0.04 0.00 0.01 0.00 0.00 42.46 39.14 3kwc s ILE 40 CO 0.03 0.09 0.25 0.29 0.00 0.00 0.00 174.94 175.60 3kwc n LYS 41 N 4.90 0.16 -1.88 2.79 4.76 -0.80 -1.70 118.16 126.40 3kwc n LYS 41 Ca -0.14 -0.55 -0.40 0.00 -2.87 0.00 0.00 58.31 54.35 3kwc n LYS 41 Cb 0.48 -0.21 0.01 0.00 -1.84 0.00 0.00 35.03 33.47 3kwc n LYS 41 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 3kwc s ASP 42 N -1.98 6.12 -1.45 4.39 1.01 -1.26 -3.55 116.67 119.95 3kwc s ASP 42 Ca 0.16 2.87 -0.08 0.00 0.71 0.00 0.00 52.55 56.21 3kwc s ASP 42 Cb -0.01 -2.65 0.02 0.00 1.01 0.00 0.00 42.92 41.29 3kwc s ASP 42 CO 0.11 -1.00 0.92 -1.22 0.21 0.00 0.00 175.17 174.18 3kwc n TYR 43 N 0.07 -2.43 -3.35 4.23 4.01 -1.24 -1.34 117.16 117.12 3kwc n TYR 43 Ca 0.04 0.80 -0.38 0.00 -0.16 0.00 0.00 57.90 58.19 3kwc n TYR 43 Cb 0.42 -4.58 -0.06 0.00 -0.31 0.00 0.00 39.34 34.80 3kwc n TYR 43 CO 0.00 0.00 0.00 0.08 -0.46 0.00 0.00 176.86 176.48 3kwc s VAL 44 N -3.24 4.91 -0.23 -0.72 1.01 -1.23 -3.54 120.40 117.35 3kwc s VAL 44 Ca 0.49 1.06 -0.03 0.00 0.00 0.00 0.00 61.98 63.50 3kwc s VAL 44 Cb -0.22 -3.83 0.00 0.00 0.00 0.00 0.00 36.38 32.33 3kwc s VAL 44 CO 0.60 0.52 -0.05 -2.28 0.00 0.00 0.00 175.10 173.90 3kwc s HIS 45 N -0.80 2.98 -0.28 5.22 2.46 -0.96 -1.01 115.29 122.91 3kwc s HIS 45 Ca 0.27 -1.16 -0.02 0.00 0.47 0.00 0.00 55.06 54.63 3kwc s HIS 45 Cb -0.18 -2.09 0.04 0.00 -0.13 0.00 0.00 32.58 30.22 3kwc s HIS 45 CO 0.16 -0.62 -0.03 0.42 -2.47 0.00 0.00 174.74 172.20 3kwc s ILE 46 N 1.43 2.93 0.63 0.89 1.01 -0.52 -0.55 121.20 127.02 3kwc s ILE 46 Ca 0.04 -1.21 -0.05 0.00 0.00 0.00 0.00 60.65 59.43 3kwc s ILE 46 Cb -0.15 -2.60 0.03 0.00 0.01 0.00 0.00 42.46 39.76 3kwc s ILE 46 CO -0.04 0.04 0.93 0.00 0.00 0.00 0.00 174.94 175.87 3kwc s ALA 47 N 1.29 3.31 0.47 9.38 0.00 0.06 -1.15 121.76 135.11 3kwc s ALA 47 Ca -0.03 -0.87 -0.24 0.00 0.00 0.00 0.00 51.96 50.82 3kwc s ALA 47 Cb -0.18 -2.54 -0.07 0.00 0.00 0.00 0.00 23.12 20.32 3kwc s ALA 47 CO -0.03 -1.01 1.37 -2.14 0.00 0.00 0.00 175.76 173.96 3kwc s PRO 48 N -5.07 3.59 0.00 0.00 0.02 -1.26 -3.40 135.00 128.88 3kwc s PRO 48 Ca 0.57 2.29 0.00 0.00 0.02 0.00 0.00 61.00 63.88 3kwc s PRO 48 Cb -0.11 -2.55 0.00 0.00 0.02 0.00 0.00 34.50 31.86 3kwc s PRO 48 CO 0.44 -0.84 0.00 0.41 -0.33 0.00 0.00 177.00 176.68 3kwc n GLY 49 N 0.63 0.79 3.76 0.52 0.00 0.20 -2.61 105.19 108.47 3kwc n GLY 49 Ca 0.06 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.68 3kwc n GLY 49 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3kwc s THR 50 N -2.44 3.62 -0.21 2.61 2.01 -1.22 -4.00 115.64 116.01 3kwc s THR 50 Ca 0.00 1.61 0.01 0.00 0.31 0.00 0.00 61.69 63.62 3kwc s THR 50 Cb 0.00 -4.01 0.05 0.00 0.01 0.00 0.00 72.50 68.54 3kwc s THR 50 CO 0.00 0.37 -0.09 -0.55 -0.69 0.00 0.00 174.62 173.65 3kwc s SER 51 N -0.98 3.58 -0.23 3.53 0.15 -0.11 -1.07 113.70 118.57 3kwc s SER 51 Ca 0.44 -0.99 0.00 0.00 0.70 0.00 0.00 55.95 56.11 3kwc s SER 51 Cb -0.30 -1.25 0.03 0.00 -1.71 0.00 0.00 66.02 62.80 3kwc s SER 51 CO 0.38 -0.17 -0.12 -0.63 1.20 0.00 0.00 173.24 173.90 3kwc s ILE 52 N 1.37 2.41 -0.28 6.45 1.01 -0.70 -1.31 121.20 130.15 3kwc s ILE 52 Ca -0.03 -1.14 -0.02 0.00 0.00 0.00 0.00 60.65 59.45 3kwc s ILE 52 Cb -0.17 -2.20 0.09 0.00 0.01 0.00 0.00 42.46 40.19 3kwc s ILE 52 CO -0.07 0.27 0.10 -0.60 0.00 0.00 0.00 174.94 174.63 3kwc s ARG 53 N 1.26 0.51 -0.91 2.79 3.52 -0.63 -1.35 118.95 124.13 3kwc s ARG 53 Ca -0.00 -0.74 -0.01 0.00 -0.13 0.00 0.00 55.73 54.85 3kwc s ARG 53 Cb -0.16 -1.74 0.34 0.00 -1.56 0.00 0.00 34.95 31.83 3kwc s ARG 53 CO -0.08 -0.92 1.79 0.00 -0.81 0.00 0.00 175.30 175.29 3kwc n ALA 54 N 5.03 6.07 0.10 6.12 0.00 0.03 -4.42 120.51 133.45 3kwc n ALA 54 Ca -0.05 -4.44 0.09 0.00 0.00 0.00 0.00 53.44 49.04 3kwc n ALA 54 Cb 0.43 -1.94 -0.14 0.00 0.00 0.00 0.00 19.45 17.81 3kwc n ALA 54 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 3kwc n ASP 55 N -0.25 0.81 0.00 0.00 3.85 -1.26 -4.12 116.55 115.57 3kwc n ASP 55 Ca 0.48 -0.12 0.00 0.00 -0.71 0.00 0.00 54.79 54.44 3kwc n ASP 55 Cb 0.28 1.73 0.00 0.00 -1.35 0.00 0.00 41.12 41.78 3kwc n ASP 55 CO 0.00 0.00 0.00 1.21 -1.01 0.00 0.00 177.20 177.40 3kwc n GLU 56 N -2.05 0.00 -1.98 0.11 2.13 -1.26 -4.88 120.64 112.71 3kwc n GLU 56 Ca -0.02 0.00 -0.40 0.00 0.66 0.00 0.00 57.16 57.40 3kwc n GLU 56 Cb 0.45 0.00 -0.00 0.00 0.27 0.00 0.00 31.44 32.16 3kwc n GLU 56 CO 0.00 0.00 0.00 0.20 -0.41 0.00 0.00 177.13 176.92 3kwc s GLY 57 N -0.15 2.93 -0.09 8.31 0.00 -0.74 -4.64 107.32 112.94 3kwc s GLY 57 Ca 0.00 1.31 -0.30 0.00 0.00 0.00 0.00 44.72 45.73 3kwc s GLY 57 CO 0.00 1.92 0.85 -1.08 0.00 0.00 0.00 173.10 174.79 3kwc s THR 58 N -1.23 0.00 0.74 0.90 -1.32 -1.26 -4.58 115.64 108.89 3kwc s THR 58 Ca 0.57 0.00 -0.08 0.00 -1.21 0.00 0.00 61.69 60.97 3kwc s THR 58 Cb -0.40 -1.00 0.08 0.00 -1.51 0.00 0.00 72.50 69.67 3kwc s THR 58 CO 0.52 0.00 1.06 -2.16 -2.21 0.00 0.00 174.62 171.83 3kwc s PRO 59 N -1.44 2.01 0.07 7.08 0.04 -1.26 -4.20 135.00 137.30 3kwc s PRO 59 Ca -0.04 -0.25 0.07 0.00 0.04 0.00 0.00 61.00 60.81 3kwc s PRO 59 Cb -0.00 -2.12 -0.04 0.00 0.04 0.00 0.00 34.50 32.38 3kwc s PRO 59 CO 0.03 -1.40 -0.13 -0.06 0.04 0.00 0.00 177.00 175.49 3kwc s PHE 60 N -3.34 2.69 -0.06 0.56 0.08 -0.73 -1.48 117.98 115.70 3kwc s PHE 60 Ca 0.62 -0.18 0.02 0.00 0.12 0.00 0.00 56.93 57.51 3kwc s PHE 60 Cb -0.10 -1.47 0.02 0.00 -0.57 0.00 0.00 43.02 40.90 3kwc s PHE 60 CO 0.46 0.36 -0.10 -1.58 -0.10 0.00 0.00 175.22 174.26 3kwc s HIS 61 N -1.08 1.31 -0.18 0.36 5.65 -0.37 -1.69 115.29 119.29 3kwc s HIS 61 Ca 0.18 -0.48 0.01 0.00 0.25 0.00 0.00 55.06 55.02 3kwc s HIS 61 Cb -0.11 -0.99 0.02 0.00 -1.18 0.00 0.00 32.58 30.32 3kwc s HIS 61 CO 0.10 -0.28 -0.19 0.42 -0.65 0.00 0.00 174.74 174.14 3kwc s ILE 62 N 0.79 1.99 0.85 0.89 1.01 -0.55 -0.72 121.20 125.47 3kwc s ILE 62 Ca -0.12 -0.90 -0.13 0.00 0.00 0.00 0.00 60.65 59.50 3kwc s ILE 62 Cb -0.15 -1.81 0.11 0.00 0.01 0.00 0.00 42.46 40.62 3kwc s ILE 62 CO 0.02 0.53 1.21 -0.83 0.00 0.00 0.00 174.94 175.86 3kwc s GLY 63 N 1.32 1.63 0.30 6.18 0.00 -0.62 -1.90 107.32 114.23 3kwc s GLY 63 Ca 0.05 -0.76 -0.29 0.00 0.00 0.00 0.00 44.72 43.72 3kwc s GLY 63 CO -0.13 -0.20 1.35 -1.35 0.00 0.00 0.00 173.10 172.77 3kwc s SER 64 N -4.59 6.74 -1.29 1.64 1.04 -1.26 -3.11 113.70 112.87 3kwc s SER 64 Ca 0.65 2.67 0.00 0.00 0.48 0.00 0.00 55.95 59.75 3kwc s SER 64 Cb -0.10 -2.64 0.00 0.00 0.10 0.00 0.00 66.02 63.38 3kwc s SER 64 CO 0.50 -0.59 0.00 0.54 0.98 0.00 0.00 173.24 174.67 3kwc n ARG 65 N 1.36 -1.08 -3.81 4.02 1.74 -0.45 -1.29 116.66 117.15 3kwc n ARG 65 Ca 0.02 0.77 -0.37 0.00 -0.77 0.00 0.00 57.85 57.51 3kwc n ARG 65 Cb 0.41 -5.00 -0.06 0.00 -1.02 0.00 0.00 32.46 26.80 3kwc n ARG 65 CO 0.00 0.00 0.00 0.99 -1.52 0.00 0.00 177.63 177.10 3kwc s THR 66 N -2.65 5.42 -0.03 0.55 2.01 -1.18 -3.93 115.64 115.83 3kwc s THR 66 Ca 0.00 0.32 0.02 0.00 0.31 0.00 0.00 61.69 62.34 3kwc s THR 66 Cb 0.00 -3.46 -0.03 0.00 0.01 0.00 0.00 72.50 69.02 3kwc s THR 66 CO 0.00 0.61 -0.06 0.54 -0.69 0.00 0.00 174.62 175.01 3kwc s ASN 67 N -1.05 4.66 -0.23 3.53 2.20 -0.41 -2.27 114.94 121.36 3kwc s ASN 67 Ca 0.17 -0.08 0.01 0.00 -0.94 0.00 0.00 52.86 52.02 3kwc s ASN 67 Cb -0.13 -1.13 0.05 0.00 -2.00 0.00 0.00 41.25 38.05 3kwc s ASN 67 CO 0.06 0.32 -0.10 -0.63 -2.94 0.00 0.00 177.10 173.81 3kwc s ILE 68 N -0.92 1.79 0.02 0.54 -1.09 0.29 -1.33 121.20 120.50 3kwc s ILE 68 Ca 0.15 -1.26 -0.00 0.00 -2.23 0.00 0.00 60.65 57.31 3kwc s ILE 68 Cb -0.11 -1.92 0.00 0.00 -1.58 0.00 0.00 42.46 38.85 3kwc s ILE 68 CO 0.05 0.05 0.03 0.00 -1.23 0.00 0.00 174.94 173.83 3kwc n GLN 69 N 4.60 0.60 -2.18 2.79 6.02 -0.16 -0.76 117.38 128.29 3kwc n GLN 69 Ca -0.14 -0.07 -0.41 0.00 -0.01 0.00 0.00 57.00 56.37 3kwc n GLN 69 Cb 0.45 -0.02 -0.02 0.00 1.02 0.00 0.00 30.24 31.66 3kwc n GLN 69 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 3kwc s ASP 70 N -1.11 6.87 -0.11 1.08 1.11 -1.26 -3.23 116.67 120.02 3kwc s ASP 70 Ca 0.02 2.61 0.00 0.00 0.18 0.00 0.00 52.55 55.36 3kwc s ASP 70 Cb -0.00 -2.64 0.00 0.00 1.07 0.00 0.00 42.92 41.34 3kwc s ASP 70 CO 0.01 -0.46 0.00 0.61 1.18 0.00 0.00 175.17 176.51 3kwc n GLY 71 N 0.88 0.34 3.77 0.21 0.00 -1.07 -0.92 105.19 108.40 3kwc n GLY 71 Ca -0.00 -0.05 -0.38 0.00 0.00 0.00 0.00 46.02 45.58 3kwc n GLY 71 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3kwc s VAL 72 N -1.60 3.02 -0.04 1.61 1.01 -1.20 -4.37 120.40 118.84 3kwc s VAL 72 Ca 0.00 0.86 0.07 0.00 0.00 0.00 0.00 61.98 62.91 3kwc s VAL 72 Cb 0.00 -3.48 -0.01 0.00 0.00 0.00 0.00 36.38 32.88 3kwc s VAL 72 CO 0.00 0.08 -0.24 -0.69 0.00 0.00 0.00 175.10 174.25 3kwc s VAL 73 N -1.39 1.95 -0.08 2.92 1.01 -1.02 -0.93 120.40 122.86 3kwc s VAL 73 Ca 0.58 -1.03 0.00 0.00 0.00 0.00 0.00 61.98 61.53 3kwc s VAL 73 Cb -0.32 -1.63 0.02 0.00 0.00 0.00 0.00 36.38 34.45 3kwc s VAL 73 CO 0.41 0.55 -0.06 -0.63 0.00 0.00 0.00 175.10 175.37 3kwc s ILE 74 N -0.34 0.76 0.29 2.22 1.01 -0.43 -2.26 121.20 122.46 3kwc s ILE 74 Ca 0.02 -0.17 0.01 0.00 0.00 0.00 0.00 60.65 60.52 3kwc s ILE 74 Cb -0.12 -0.80 -0.02 0.00 0.01 0.00 0.00 42.46 41.53 3kwc s ILE 74 CO 0.01 0.31 0.30 -2.28 0.00 0.00 0.00 174.94 173.28 3kwc s HIS 75 N 1.46 1.32 -0.05 3.97 2.46 -1.11 -1.61 115.29 121.73 3kwc s HIS 75 Ca -0.01 -1.43 -0.17 0.00 0.47 0.00 0.00 55.06 53.92 3kwc s HIS 75 Cb -0.13 -0.45 0.03 0.00 -0.13 0.00 0.00 32.58 31.90 3kwc s HIS 75 CO -0.04 -0.89 0.40 0.20 -2.47 0.00 0.00 174.74 171.94 3kwc s GLY 76 N -3.26 -0.26 0.38 1.59 0.00 -1.26 -0.87 107.32 103.64 3kwc s GLY 76 Ca 0.36 0.67 -0.27 0.00 0.00 0.00 0.00 44.72 45.48 3kwc s GLY 76 CO 0.20 0.45 1.32 1.08 0.00 0.00 0.00 173.10 176.15 3kwc s LEU 77 N -0.98 4.30 0.18 0.66 1.43 -0.93 -1.80 118.68 121.54 3kwc s LEU 77 Ca -0.10 2.71 -0.13 0.00 -1.03 0.00 0.00 54.13 55.57 3kwc s LEU 77 Cb -0.04 -3.79 0.14 0.00 0.03 0.00 0.00 46.19 42.53 3kwc s LEU 77 CO 0.04 -0.74 1.78 -0.61 0.23 0.00 0.00 176.35 177.06 3kwc h GLN 78 N 2.96 0.47 -5.77 1.70 -0.00 -1.93 -3.24 115.11 109.30 3kwc h GLN 78 Ca -0.49 -0.03 -0.61 0.00 -0.00 0.00 0.00 58.65 57.52 3kwc h GLN 78 Cb 1.24 -0.11 -0.07 0.00 0.00 0.00 0.00 27.48 28.54 3kwc h GLN 78 CO 0.64 0.31 -0.28 -0.65 0.00 0.00 0.00 178.83 178.85 3kwc s GLN 79 N -6.13 3.97 0.00 1.69 -1.52 -1.26 -4.56 119.66 111.86 3kwc s GLN 79 Ca -0.13 0.23 0.00 0.00 -1.95 0.00 0.00 55.36 53.51 3kwc s GLN 79 Cb 0.14 -3.30 0.00 0.00 -0.22 0.00 0.00 33.01 29.63 3kwc s GLN 79 CO 0.73 0.52 0.00 0.41 -0.25 0.00 0.00 175.29 176.71 3kwc n GLY 80 N 2.44 3.16 3.09 3.09 0.00 -1.26 -4.80 105.19 110.90 3kwc n GLY 80 Ca -0.14 -1.31 -0.09 0.00 0.00 0.00 0.00 46.02 44.48 3kwc n GLY 80 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3kwc s ARG 81 N -5.51 0.55 0.25 1.61 1.81 -1.26 -4.51 118.95 111.89 3kwc s ARG 81 Ca 0.00 -0.86 0.10 0.00 -1.72 0.00 0.00 55.73 53.25 3kwc s ARG 81 Cb 0.00 0.21 -0.04 0.00 -0.45 0.00 0.00 34.95 34.66 3kwc s ARG 81 CO 0.00 -0.12 -0.03 0.14 -0.68 0.00 0.00 175.30 174.61 3kwc s VAL 82 N -2.78 3.36 -0.25 3.52 -7.23 0.23 -4.91 120.40 112.33 3kwc s VAL 82 Ca -0.04 -1.89 -0.19 0.00 -1.81 0.00 0.00 61.98 58.05 3kwc s VAL 82 Cb -0.00 -2.77 -0.02 0.00 0.56 0.00 0.00 36.38 34.15 3kwc s VAL 82 CO -0.06 -0.32 0.58 -0.63 -0.31 0.00 0.00 175.10 174.36 3kwc s ILE 83 N -2.22 5.02 0.97 -0.62 -1.09 -1.26 -0.91 121.20 121.10 3kwc s ILE 83 Ca 0.30 1.02 -0.13 0.00 -2.23 0.00 0.00 60.65 59.61 3kwc s ILE 83 Cb -0.07 -3.89 0.17 0.00 -1.58 0.00 0.00 42.46 37.10 3kwc s ILE 83 CO 0.19 0.06 1.13 -0.83 -1.23 0.00 0.00 174.94 174.25 3kwc s GLY 84 N 1.49 1.58 0.00 6.18 0.00 0.73 -4.95 107.32 112.35 3kwc s GLY 84 Ca 0.24 -0.54 0.15 0.00 0.00 0.00 0.00 44.72 44.57 3kwc s GLY 84 CO 0.09 0.08 1.48 1.22 0.00 0.00 0.00 173.10 175.97 3kwc n ASP 85 N -4.00 0.00 -1.14 1.64 10.43 -1.26 -2.20 116.55 120.02 3kwc n ASP 85 Ca 0.07 0.46 0.12 0.00 2.57 0.00 0.00 54.79 58.01 3kwc n ASP 85 Cb 0.59 -0.48 0.24 0.00 1.84 0.00 0.00 41.12 43.31 3kwc n ASP 85 CO 0.00 0.00 0.00 -0.90 -1.07 0.00 0.00 177.20 175.23 3kwc n ASP 86 N -1.48 3.39 0.00 -2.24 5.68 -1.26 -4.96 116.55 115.67 3kwc n ASP 86 Ca 0.04 -1.98 0.00 0.00 -0.50 0.00 0.00 54.79 52.35 3kwc n ASP 86 Cb 0.17 -0.27 0.00 0.00 -1.14 0.00 0.00 41.12 39.88 3kwc n ASP 86 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3kwc n GLY 87 N 1.50 2.01 3.89 6.12 0.00 -0.93 -5.04 105.19 112.74 3kwc n GLY 87 Ca 0.20 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.93 3kwc n GLY 87 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3kwc s GLN 88 N -0.33 3.59 0.10 1.61 -0.21 -1.26 -4.76 119.66 118.40 3kwc s GLN 88 Ca 0.00 0.40 -0.24 0.00 0.02 0.00 0.00 55.36 55.54 3kwc s GLN 88 Cb 0.00 -2.28 -0.07 0.00 1.00 0.00 0.00 33.01 31.66 3kwc s GLN 88 CO 0.00 -0.30 0.73 -1.21 -2.12 0.00 0.00 175.29 172.38 3kwc s GLU 89 N -4.79 4.47 0.05 2.91 2.02 -1.26 -0.19 118.70 121.91 3kwc s GLU 89 Ca 0.50 1.03 0.03 0.00 0.02 0.00 0.00 54.97 56.56 3kwc s GLU 89 Cb -0.10 -3.29 -0.03 0.00 0.10 0.00 0.00 34.13 30.81 3kwc s GLU 89 CO 0.46 0.49 -0.10 0.71 0.02 0.00 0.00 175.26 176.84 3kwc s TYR 90 N -0.77 0.90 -0.05 1.61 1.51 -0.08 -4.57 117.35 115.89 3kwc s TYR 90 Ca 0.35 -0.49 -0.27 0.00 -1.01 0.00 0.00 57.07 55.66 3kwc s TYR 90 Cb -0.21 -0.52 -0.22 0.00 -0.11 0.00 0.00 41.96 40.90 3kwc s TYR 90 CO 0.24 -0.03 1.13 1.03 -1.11 0.00 0.00 175.55 176.81 3kwc h SER 91 N 4.39 0.01 -3.35 2.29 0.87 -1.43 0.68 113.55 117.01 3kwc h SER 91 Ca -0.38 -0.63 -0.55 0.00 -1.23 0.00 0.00 61.79 59.00 3kwc h SER 91 Cb 1.20 -0.00 -0.34 0.00 -0.44 0.00 0.00 62.40 62.81 3kwc h SER 91 CO 0.41 0.64 -0.83 -0.69 -0.53 0.00 0.00 176.83 175.83 3kwc s VAL 92 N -3.69 1.32 -0.20 2.23 1.01 -1.19 -1.57 120.40 118.30 3kwc s VAL 92 Ca -0.17 -0.56 0.01 0.00 0.00 0.00 0.00 61.98 61.27 3kwc s VAL 92 Cb 0.00 -1.20 0.04 0.00 0.00 0.00 0.00 36.38 35.21 3kwc s VAL 92 CO 0.68 0.40 -0.15 0.86 0.00 0.00 0.00 175.10 176.89 3kwc s TRP 93 N 0.81 2.71 -0.13 5.22 -0.11 -0.43 -1.24 118.94 125.77 3kwc s TRP 93 Ca -0.11 -1.72 0.01 0.00 1.22 0.00 0.00 56.10 55.49 3kwc s TRP 93 Cb -0.15 -1.80 -0.01 0.00 -1.50 0.00 0.00 33.47 30.00 3kwc s TRP 93 CO 0.02 -0.79 -0.15 0.42 -4.62 0.00 0.00 176.95 171.83 3kwc s ILE 94 N 1.30 2.84 0.00 5.86 1.01 0.10 -0.88 121.20 131.43 3kwc s ILE 94 Ca 0.00 -0.74 0.00 0.00 0.00 0.00 0.00 60.65 59.92 3kwc s ILE 94 Cb -0.15 -2.18 0.00 0.00 0.01 0.00 0.00 42.46 40.14 3kwc s ILE 94 CO -0.10 0.53 0.00 0.61 0.00 0.00 0.00 174.94 175.98 3kwc n GLY 95 N 3.56 -0.62 3.84 6.18 0.00 -0.48 -1.59 105.19 116.08 3kwc n GLY 95 Ca -0.18 -1.68 -0.32 0.00 0.00 0.00 0.00 46.02 43.83 3kwc n GLY 95 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3kwc s ASP 96 N -1.00 6.72 -1.49 1.61 -0.00 -1.26 -2.87 116.67 118.38 3kwc s ASP 96 Ca 0.00 1.48 -0.07 0.00 -0.00 0.00 0.00 52.55 53.97 3kwc s ASP 96 Cb 0.00 -2.46 0.01 0.00 -0.00 0.00 0.00 42.92 40.47 3kwc s ASP 96 CO 0.00 -0.43 0.83 0.59 -0.00 0.00 0.00 175.17 176.17 3kwc n ASN 97 N -1.06 -6.20 -4.77 0.27 3.02 -0.42 -1.17 115.26 104.93 3kwc n ASN 97 Ca 0.05 -0.39 -0.34 0.00 -0.03 0.00 0.00 54.58 53.88 3kwc n ASN 97 Cb 0.54 -4.96 -0.07 0.00 -0.61 0.00 0.00 39.78 34.68 3kwc n ASN 97 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 3kwc s VAL 98 N -3.23 4.71 -0.26 2.41 1.01 -1.26 -3.42 120.40 120.35 3kwc s VAL 98 Ca 0.42 -0.33 -0.04 0.00 0.00 0.00 0.00 61.98 62.03 3kwc s VAL 98 Cb -0.19 -3.11 0.02 0.00 0.00 0.00 0.00 36.38 33.10 3kwc s VAL 98 CO 0.52 0.42 -0.00 -0.44 0.00 0.00 0.00 175.10 175.60 3kwc s SER 99 N -1.52 4.65 -0.51 3.32 0.01 -0.72 -1.29 113.70 117.65 3kwc s SER 99 Ca 0.20 -0.76 -0.10 0.00 1.31 0.00 0.00 55.95 56.60 3kwc s SER 99 Cb -0.12 -1.76 0.13 0.00 0.21 0.00 0.00 66.02 64.48 3kwc s SER 99 CO 0.11 -0.14 0.40 -0.63 0.41 0.00 0.00 173.24 173.38 3kwc s ILE 100 N 1.41 4.42 0.80 1.44 -1.09 -0.44 -1.11 121.20 126.62 3kwc s ILE 100 Ca 0.02 -1.84 -0.05 0.00 -2.23 0.00 0.00 60.65 56.55 3kwc s ILE 100 Cb -0.17 -3.89 0.15 0.00 -1.58 0.00 0.00 42.46 36.98 3kwc s ILE 100 CO -0.01 -0.81 1.10 0.42 -1.23 0.00 0.00 174.94 174.40 3kwc s THR 101 N 1.27 2.08 -0.17 2.92 -4.23 -0.83 -0.99 115.64 115.70 3kwc s THR 101 Ca 0.06 -0.42 -0.41 0.00 -1.18 0.00 0.00 61.69 59.74 3kwc s THR 101 Cb -0.26 -2.65 -0.19 0.00 1.34 0.00 0.00 72.50 70.74 3kwc s THR 101 CO -0.01 0.00 1.36 1.41 -0.54 0.00 0.00 174.62 176.84 3kwc n HIS 102 N -3.12 1.29 -1.07 3.99 8.25 -1.26 -1.56 115.22 121.74 3kwc n HIS 102 Ca 0.15 0.95 -0.02 0.00 -0.26 0.00 0.00 57.72 58.54 3kwc n HIS 102 Cb 0.60 -2.22 -0.01 0.00 1.12 0.00 0.00 29.99 29.48 3kwc n HIS 102 CO 0.00 0.00 0.00 -1.33 0.64 0.00 0.00 176.34 175.65 3kwc n MET 103 N 2.89 -1.13 -1.59 -0.41 2.81 -0.10 -1.12 117.12 118.47 3kwc n MET 103 Ca 0.24 0.42 -0.35 0.00 -1.81 0.00 0.00 57.70 56.20 3kwc n MET 103 Cb 0.06 -4.34 0.08 0.00 -0.71 0.00 0.00 33.22 28.31 3kwc n MET 103 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 3kwc s ALA 104 N -1.61 2.24 -0.17 3.04 0.00 -0.60 -4.20 121.76 120.46 3kwc s ALA 104 Ca 0.00 0.91 0.00 0.00 0.00 0.00 0.00 51.96 52.87 3kwc s ALA 104 Cb 0.00 -3.46 0.03 0.00 0.00 0.00 0.00 23.12 19.69 3kwc s ALA 104 CO 0.00 -1.68 -0.11 -1.17 0.00 0.00 0.00 175.76 172.80 3kwc s LEU 105 N -4.87 1.96 -0.23 0.00 2.96 -0.29 -2.44 118.68 115.77 3kwc s LEU 105 Ca 0.75 -0.70 -0.06 0.00 -0.22 0.00 0.00 54.13 53.90 3kwc s LEU 105 Cb -0.29 -1.16 -0.02 0.00 0.50 0.00 0.00 46.19 45.21 3kwc s LEU 105 CO 0.42 -0.12 0.02 -0.63 -1.32 0.00 0.00 176.35 174.73 3kwc s ILE 106 N 1.47 3.93 -0.16 6.68 -1.09 -0.96 -1.17 121.20 129.91 3kwc s ILE 106 Ca 0.01 -0.30 0.00 0.00 -2.23 0.00 0.00 60.65 58.13 3kwc s ILE 106 Cb -0.15 -2.82 0.03 0.00 -1.58 0.00 0.00 42.46 37.95 3kwc s ILE 106 CO -0.09 0.38 -0.11 -2.28 -1.23 0.00 0.00 174.94 171.61 3kwc s HIS 107 N 1.46 2.10 0.63 3.97 2.46 0.59 -2.75 115.29 123.75 3kwc s HIS 107 Ca 0.05 -1.25 -0.18 0.00 0.47 0.00 0.00 55.06 54.15 3kwc s HIS 107 Cb -0.15 -1.53 -0.02 0.00 -0.13 0.00 0.00 32.58 30.75 3kwc s HIS 107 CO 0.01 -0.67 1.26 0.20 -2.47 0.00 0.00 174.74 173.07 3kwc s GLY 108 N 1.50 2.81 0.06 1.59 0.00 -0.05 -2.90 107.32 110.34 3kwc s GLY 108 Ca 0.03 1.13 -0.31 0.00 0.00 0.00 0.00 44.72 45.57 3kwc s GLY 108 CO -0.09 1.55 1.45 -4.14 0.00 0.00 0.00 173.10 171.86 3kwc s PRO 109 N -3.37 4.28 -0.13 2.90 0.02 -1.26 -2.19 135.00 135.25 3kwc s PRO 109 Ca 0.81 2.09 -0.13 0.00 0.02 0.00 0.00 61.00 63.79 3kwc s PRO 109 Cb -0.35 -3.44 0.03 0.00 0.02 0.00 0.00 34.50 30.77 3kwc s PRO 109 CO 0.37 -0.55 0.36 0.00 -0.33 0.00 0.00 177.00 176.85 3kwc s ALA 110 N 1.90 -0.90 -0.11 -1.55 0.00 -0.61 -1.79 121.76 118.70 3kwc s ALA 110 Ca 0.66 1.00 0.00 0.00 0.00 0.00 0.00 51.96 53.62 3kwc s ALA 110 Cb -0.36 -0.57 0.02 0.00 0.00 0.00 0.00 23.12 22.22 3kwc s ALA 110 CO 0.29 -0.18 -0.09 -0.47 0.00 0.00 0.00 175.76 175.31 3kwc s TYR 111 N 0.12 1.60 -0.16 0.00 6.14 -1.04 -1.32 117.35 122.69 3kwc s TYR 111 Ca -0.01 -0.80 0.01 0.00 0.64 0.00 0.00 57.07 56.92 3kwc s TYR 111 Cb -0.03 -1.28 0.02 0.00 0.42 0.00 0.00 41.96 41.09 3kwc s TYR 111 CO 0.01 -0.51 -0.20 0.42 0.64 0.00 0.00 175.55 175.91 3kwc s ILE 112 N 1.54 2.00 0.76 3.14 1.01 -0.06 -0.83 121.20 128.75 3kwc s ILE 112 Ca 0.03 -0.91 -0.11 0.00 0.00 0.00 0.00 60.65 59.65 3kwc s ILE 112 Cb -0.13 -1.80 0.05 0.00 0.01 0.00 0.00 42.46 40.60 3kwc s ILE 112 CO -0.07 0.53 1.13 -0.83 0.00 0.00 0.00 174.94 175.70 3kwc s GLY 113 N 1.16 1.61 0.30 6.18 0.00 -0.36 -1.38 107.32 114.83 3kwc s GLY 113 Ca 0.01 -0.57 -0.28 0.00 0.00 0.00 0.00 44.72 43.88 3kwc s GLY 113 CO -0.09 -0.14 1.10 1.22 0.00 0.00 0.00 173.10 175.19 3kwc n ASP 114 N -3.15 1.72 0.00 1.64 10.43 -1.26 -2.93 116.55 123.00 3kwc n ASP 114 Ca 0.07 1.18 0.00 0.00 2.57 0.00 0.00 54.79 58.62 3kwc n ASP 114 Cb 0.60 -1.34 0.00 0.00 1.84 0.00 0.00 41.12 42.21 3kwc n ASP 114 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 3kwc n GLY 115 N 1.17 0.54 3.78 0.44 0.00 -0.32 -1.04 105.19 109.75 3kwc n GLY 115 Ca 0.09 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.76 3kwc n GLY 115 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kwc s PHE 117 N -1.95 2.82 -0.27 0.00 5.36 -0.60 -1.75 117.98 121.59 3kwc s PHE 117 Ca 0.70 -1.31 -0.02 0.00 -0.96 0.00 0.00 56.93 55.35 3kwc s PHE 117 Cb -0.22 -1.96 0.04 0.00 -0.34 0.00 0.00 43.02 40.54 3kwc s PHE 117 CO 0.30 -0.66 -0.03 0.42 -1.46 0.00 0.00 175.22 173.79 3kwc s ILE 118 N 1.22 2.97 1.10 3.12 -1.09 -0.27 -0.58 121.20 127.67 3kwc s ILE 118 Ca 0.02 -1.18 -0.18 0.00 -2.23 0.00 0.00 60.65 57.08 3kwc s ILE 118 Cb -0.14 -2.60 0.26 0.00 -1.58 0.00 0.00 42.46 38.39 3kwc s ILE 118 CO -0.07 0.05 1.23 -0.83 -1.23 0.00 0.00 174.94 174.09 3kwc s GLY 119 N 1.30 1.70 0.19 6.18 0.00 0.37 -1.96 107.32 115.10 3kwc s GLY 119 Ca -0.02 -1.16 -0.32 0.00 0.00 0.00 0.00 44.72 43.22 3kwc s GLY 119 CO -0.03 -0.29 1.75 -1.36 0.00 0.00 0.00 173.10 173.17 3kwc s PHE 120 N -3.48 2.76 -1.55 1.90 2.99 -1.26 -2.51 117.98 116.82 3kwc s PHE 120 Ca 0.74 0.27 0.00 0.00 0.00 0.00 0.00 56.93 57.93 3kwc s PHE 120 Cb -0.06 -4.15 0.00 0.00 0.00 0.00 0.00 43.02 38.81 3kwc s PHE 120 CO 0.55 -4.44 0.00 -2.13 -0.00 0.00 0.00 175.22 169.19 3kwc n ARG 121 N 4.31 -1.28 -3.91 0.44 0.63 -0.27 -0.62 116.66 115.96 3kwc n ARG 121 Ca 0.16 0.91 -0.29 0.00 -0.92 0.00 0.00 57.85 57.71 3kwc n ARG 121 Cb 0.36 -5.26 -0.04 0.00 0.45 0.00 0.00 32.46 27.97 3kwc n ARG 121 CO 0.00 0.00 0.00 -1.12 -2.51 0.00 0.00 177.63 174.00 3kwc s SER 122 N -2.45 6.36 -0.08 6.15 0.01 -1.04 -4.23 113.70 118.42 3kwc s SER 122 Ca 0.00 0.25 0.04 0.00 1.31 0.00 0.00 55.95 57.55 3kwc s SER 122 Cb 0.00 -1.95 0.00 0.00 0.21 0.00 0.00 66.02 64.28 3kwc s SER 122 CO 0.00 0.11 -0.22 -0.89 0.41 0.00 0.00 173.24 172.65 3kwc s THR 123 N -1.62 1.87 -0.22 1.44 2.01 0.51 -1.13 115.64 118.49 3kwc s THR 123 Ca 0.35 -0.92 0.01 0.00 0.31 0.00 0.00 61.69 61.45 3kwc s THR 123 Cb -0.12 -1.62 0.04 0.00 0.01 0.00 0.00 72.50 70.81 3kwc s THR 123 CO 0.28 0.52 -0.15 -0.69 -0.69 0.00 0.00 174.62 173.89 3kwc s VAL 124 N 0.29 2.21 -0.03 3.82 1.01 -0.32 -0.42 120.40 126.97 3kwc s VAL 124 Ca -0.15 -1.22 0.00 0.00 0.00 0.00 0.00 61.98 60.62 3kwc s VAL 124 Cb -0.17 -2.10 0.03 0.00 0.00 0.00 0.00 36.38 34.14 3kwc s VAL 124 CO 0.07 0.28 0.01 0.12 0.00 0.00 0.00 175.10 175.58 3kwc s PHE 125 N 1.22 0.24 -1.27 5.22 5.36 -0.43 -0.30 117.98 128.03 3kwc s PHE 125 Ca -0.01 0.04 -0.07 0.00 -0.96 0.00 0.00 56.93 55.94 3kwc s PHE 125 Cb -0.16 -0.39 -0.01 0.00 -0.34 0.00 0.00 43.02 42.12 3kwc s PHE 125 CO -0.09 -0.13 0.67 -1.71 -1.46 0.00 0.00 175.22 172.50 3kwc n ASN 126 N 4.27 -2.50 -3.52 6.13 5.15 -0.74 -2.64 115.26 121.41 3kwc n ASN 126 Ca -0.24 -0.92 -0.15 0.00 -0.60 0.00 0.00 54.58 52.67 3kwc n ASN 126 Cb 0.50 -3.67 -0.05 0.00 -0.53 0.00 0.00 39.78 36.04 3kwc n ASN 126 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 3kwc s ALA 127 N -3.67 -1.53 -0.13 5.20 0.00 -0.99 -1.97 121.76 118.67 3kwc s ALA 127 Ca 0.17 0.81 -0.02 0.00 0.00 0.00 0.00 51.96 52.92 3kwc s ALA 127 Cb -0.05 0.37 -0.03 0.00 0.00 0.00 0.00 23.12 23.41 3kwc s ALA 127 CO 0.84 -0.52 -0.06 0.50 0.00 0.00 0.00 175.76 176.53 3kwc s ARG 128 N -2.32 3.41 -0.25 0.00 3.52 -0.86 -2.50 118.95 119.95 3kwc s ARG 128 Ca -0.06 -0.55 0.00 0.00 -0.13 0.00 0.00 55.73 55.00 3kwc s ARG 128 Cb -0.01 -2.80 0.04 0.00 -1.56 0.00 0.00 34.95 30.63 3kwc s ARG 128 CO -0.00 0.35 -0.09 0.08 -0.81 0.00 0.00 175.30 174.83 3kwc s VAL 129 N 0.06 2.51 0.91 7.11 1.01 -0.01 -1.01 120.40 130.99 3kwc s VAL 129 Ca -0.01 -1.32 -0.11 0.00 0.00 0.00 0.00 61.98 60.54 3kwc s VAL 129 Cb -0.14 -2.36 0.14 0.00 0.00 0.00 0.00 36.38 34.02 3kwc s VAL 129 CO 0.03 0.09 1.11 -0.83 0.00 0.00 0.00 175.10 175.50 3kwc s GLY 130 N 1.22 1.65 0.34 4.51 0.00 -0.55 -1.23 107.32 113.27 3kwc s GLY 130 Ca -0.04 0.30 -0.27 0.00 0.00 0.00 0.00 44.72 44.71 3kwc s GLY 130 CO -0.05 0.76 1.15 0.00 0.00 0.00 0.00 173.10 174.96 3kwc n ALA 131 N -4.10 0.63 -1.22 3.20 0.00 -1.26 -3.24 120.51 114.53 3kwc n ALA 131 Ca 0.09 0.34 -0.07 0.00 0.00 0.00 0.00 53.44 53.80 3kwc n ALA 131 Cb 0.53 -2.15 -0.03 0.00 0.00 0.00 0.00 19.45 17.80 3kwc n ALA 131 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3kwc n GLY 132 N 0.98 0.95 3.77 0.00 0.00 -0.20 -0.89 105.19 109.79 3kwc n GLY 132 Ca 0.07 -0.69 -0.38 0.00 0.00 0.00 0.00 46.02 45.02 3kwc n GLY 132 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kwc s VAL 134 N -1.44 2.12 -0.23 0.00 1.01 -0.50 -1.55 120.40 119.81 3kwc s VAL 134 Ca 0.48 -2.07 -0.10 0.00 0.00 0.00 0.00 61.98 60.28 3kwc s VAL 134 Cb -0.23 -2.49 -0.05 0.00 0.00 0.00 0.00 36.38 33.62 3kwc s VAL 134 CO 0.29 -0.45 0.15 -0.69 0.00 0.00 0.00 175.10 174.40 3kwc s VAL 135 N 1.02 5.37 0.00 2.92 1.01 0.25 -1.96 120.40 129.01 3kwc s VAL 135 Ca 0.06 0.19 0.00 0.00 0.00 0.00 0.00 61.98 62.22 3kwc s VAL 135 Cb -0.19 -3.49 0.00 0.00 0.00 0.00 0.00 36.38 32.69 3kwc s VAL 135 CO -0.08 0.37 0.00 0.23 0.00 0.00 0.00 175.10 175.61 3kwc n MET 136 N 4.11 3.43 -3.85 2.72 2.81 -0.69 -0.48 117.12 125.16 3kwc n MET 136 Ca -0.15 0.00 -0.35 0.00 -1.81 0.00 0.00 57.70 55.39 3kwc n MET 136 Cb 0.52 0.00 -0.05 0.00 -0.71 0.00 0.00 33.22 32.98 3kwc n MET 136 CO 0.00 0.00 0.00 -1.64 1.51 0.00 0.00 175.97 175.84 3kwc s MET 137 N 1.65 3.49 -1.39 0.03 -1.94 -1.26 -3.40 119.30 116.48 3kwc s MET 137 Ca 0.00 -0.18 -0.09 0.00 -1.71 0.00 0.00 55.69 53.71 3kwc s MET 137 Cb 0.00 -3.13 0.03 0.00 2.01 0.00 0.00 34.83 33.74 3kwc s MET 137 CO 0.00 0.70 1.11 0.72 -0.01 0.00 0.00 175.02 177.54 3kwc n HIS 138 N 1.36 -2.66 -3.88 -0.03 8.25 0.21 -0.84 115.22 117.63 3kwc n HIS 138 Ca -0.14 0.98 -0.36 0.00 -0.26 0.00 0.00 57.72 57.94 3kwc n HIS 138 Cb 0.53 -4.77 -0.06 0.00 1.12 0.00 0.00 29.99 26.82 3kwc n HIS 138 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 3kwc s VAL 139 N -3.33 5.48 -0.20 1.59 1.01 -1.26 -3.35 120.40 120.34 3kwc s VAL 139 Ca 0.53 0.10 -0.04 0.00 0.00 0.00 0.00 61.98 62.57 3kwc s VAL 139 Cb -0.25 -3.45 -0.02 0.00 0.00 0.00 0.00 36.38 32.66 3kwc s VAL 139 CO 0.76 0.52 -0.02 -0.22 0.00 0.00 0.00 175.10 176.13 3kwc s LEU 140 N -1.34 3.10 -0.18 3.92 2.96 -0.64 -0.37 118.68 126.14 3kwc s LEU 140 Ca 0.19 -0.27 0.00 0.00 -0.22 0.00 0.00 54.13 53.83 3kwc s LEU 140 Cb -0.12 -1.78 0.01 0.00 0.50 0.00 0.00 46.19 44.79 3kwc s LEU 140 CO 0.09 0.04 -0.16 -0.63 -1.32 0.00 0.00 176.35 174.37 3kwc s ILE 141 N 1.11 2.42 -0.17 6.68 1.01 0.44 -0.74 121.20 131.95 3kwc s ILE 141 Ca 0.02 -0.83 -0.12 0.00 0.00 0.00 0.00 60.65 59.72 3kwc s ILE 141 Cb -0.15 -2.03 0.05 0.00 0.01 0.00 0.00 42.46 40.35 3kwc s ILE 141 CO 0.01 0.52 0.43 -1.58 0.00 0.00 0.00 174.94 174.31 3kwc s GLN 142 N 1.16 0.45 -1.59 2.79 0.74 -0.77 -1.31 119.66 121.14 3kwc s GLN 142 Ca 0.01 0.72 -0.04 0.00 0.05 0.00 0.00 55.36 56.11 3kwc s GLN 142 Cb -0.14 0.10 0.00 0.00 1.10 0.00 0.00 33.01 34.08 3kwc s GLN 142 CO -0.07 -0.11 0.51 -0.25 -0.55 0.00 0.00 175.29 174.81 3kwc n ASP 143 N 3.62 -6.10 -4.08 6.67 10.43 -0.83 -4.26 116.55 122.00 3kwc n ASP 143 Ca -0.19 -0.24 -0.10 0.00 2.57 0.00 0.00 54.79 56.83 3kwc n ASP 143 Cb 0.56 -4.94 -0.08 0.00 1.84 0.00 0.00 41.12 38.50 3kwc n ASP 143 CO 0.00 0.00 0.00 0.68 -1.07 0.00 0.00 177.20 176.81 3kwc s VAL 144 N -3.16 0.06 -0.21 2.53 -7.23 -1.23 -4.70 120.40 106.47 3kwc s VAL 144 Ca 0.25 -1.69 -0.02 0.00 -1.81 0.00 0.00 61.98 58.70 3kwc s VAL 144 Cb -0.11 -2.07 -0.00 0.00 0.56 0.00 0.00 36.38 34.76 3kwc s VAL 144 CO 0.31 -0.28 -0.09 -0.70 -0.31 0.00 0.00 175.10 174.03 3kwc s GLU 145 N -4.04 3.27 -0.18 4.82 2.12 -1.26 -2.03 118.70 121.40 3kwc s GLU 145 Ca 0.24 -0.68 -0.20 0.00 0.36 0.00 0.00 54.97 54.69 3kwc s GLU 145 Cb 0.05 -2.88 -0.03 0.00 0.26 0.00 0.00 34.13 31.53 3kwc s GLU 145 CO 0.04 -0.20 0.59 0.42 -0.54 0.00 0.00 175.26 175.57 3kwc s ILE 146 N 1.41 5.06 0.78 -3.70 -1.09 -0.18 -4.74 121.20 118.74 3kwc s ILE 146 Ca 0.05 1.12 -0.14 0.00 -2.23 0.00 0.00 60.65 59.45 3kwc s ILE 146 Cb -0.14 -3.91 0.05 0.00 -1.58 0.00 0.00 42.46 36.88 3kwc s ILE 146 CO -0.06 0.16 1.14 -2.65 -1.23 0.00 0.00 174.94 172.30 3kwc n PRO 147 N 4.78 0.35 -1.61 2.79 -0.02 -1.26 -1.48 135.00 138.54 3kwc n PRO 147 Ca -0.03 0.19 -0.38 0.00 -2.02 0.00 0.00 63.50 61.26 3kwc n PRO 147 Cb 0.50 -2.39 0.05 0.00 -0.02 0.00 0.00 33.50 31.64 3kwc n PRO 147 CO 0.00 0.00 0.00 -2.30 1.98 0.00 0.00 175.50 175.18 3kwc n PRO 148 N -2.77 0.99 -2.86 0.52 -0.02 -1.26 -3.83 135.00 125.77 3kwc n PRO 148 Ca 0.14 0.38 -0.17 0.00 -2.02 0.00 0.00 63.50 61.82 3kwc n PRO 148 Cb 0.50 -2.15 0.03 0.00 -0.02 0.00 0.00 33.50 31.86 3kwc n PRO 148 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3kwc n GLY 149 N 1.27 -0.23 3.68 -1.23 0.00 -0.07 -4.93 105.19 103.68 3kwc n GLY 149 Ca 0.13 -0.09 -0.30 0.00 0.00 0.00 0.00 46.02 45.76 3kwc n GLY 149 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3kwc s LYS 150 N -5.44 2.52 -0.15 1.61 -0.14 -1.25 -1.78 119.74 115.11 3kwc s LYS 150 Ca 0.24 -0.87 -0.05 0.00 -1.36 0.00 0.00 55.97 53.94 3kwc s LYS 150 Cb -0.11 -2.52 -0.03 0.00 -1.68 0.00 0.00 37.83 33.49 3kwc s LYS 150 CO 0.30 0.53 0.01 -0.47 -0.76 0.00 0.00 175.35 174.96 3kwc s TYR 151 N -1.35 3.14 -0.27 3.18 5.04 -0.17 -1.41 117.35 125.52 3kwc s TYR 151 Ca 0.26 -0.04 -0.00 0.00 -2.44 0.00 0.00 57.07 54.85 3kwc s TYR 151 Cb -0.11 -1.96 0.04 0.00 0.35 0.00 0.00 41.96 40.28 3kwc s TYR 151 CO 0.18 0.16 -0.06 0.08 -1.34 0.00 0.00 175.55 174.58 3kwc s VAL 152 N 0.04 2.69 0.79 3.14 1.01 -0.83 -4.21 120.40 123.03 3kwc s VAL 152 Ca 0.03 -1.30 -0.14 0.00 0.00 0.00 0.00 61.98 60.57 3kwc s VAL 152 Cb -0.13 -2.47 0.05 0.00 0.00 0.00 0.00 36.38 33.83 3kwc s VAL 152 CO 0.02 0.06 1.01 -2.65 0.00 0.00 0.00 175.10 173.53 3kwc n PRO 153 N 4.59 0.24 -1.96 2.72 -0.02 -1.26 -1.71 135.00 137.60 3kwc n PRO 153 Ca -0.15 0.15 -0.40 0.00 -2.02 0.00 0.00 63.50 61.08 3kwc n PRO 153 Cb 0.45 -2.28 -0.01 0.00 -0.02 0.00 0.00 33.50 31.65 3kwc n PRO 153 CO 0.00 0.00 0.00 -1.12 1.98 0.00 0.00 175.50 176.36 3kwc s SER 154 N -1.92 6.38 0.00 2.55 0.01 -1.26 -3.40 113.70 116.07 3kwc s SER 154 Ca 0.71 2.81 0.00 0.00 1.31 0.00 0.00 55.95 60.79 3kwc s SER 154 Cb -0.30 -2.65 0.00 0.00 0.21 0.00 0.00 66.02 63.27 3kwc s SER 154 CO 0.53 -0.82 0.00 0.61 0.41 0.00 0.00 173.24 173.97 3kwc n GLY 155 N 0.63 1.27 3.73 3.44 0.00 -0.02 -4.93 105.19 109.32 3kwc n GLY 155 Ca 0.02 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.63 3kwc n GLY 155 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 3kwc s MET 156 N -0.45 4.34 -0.58 1.61 1.00 -1.22 -4.85 119.30 119.16 3kwc s MET 156 Ca 0.00 2.12 -0.04 0.00 0.00 0.00 0.00 55.69 57.77 3kwc s MET 156 Cb 0.00 -3.19 0.15 0.00 0.00 0.00 0.00 34.83 31.79 3kwc s MET 156 CO 0.00 -0.35 0.40 0.08 0.00 0.00 0.00 175.02 175.15 3kwc s VAL 157 N 0.40 3.82 -0.48 -6.03 1.01 -1.26 -1.62 120.40 116.24 3kwc s VAL 157 Ca 0.60 -2.60 -0.18 0.00 0.00 0.00 0.00 61.98 59.80 3kwc s VAL 157 Cb -0.38 -3.51 0.06 0.00 0.00 0.00 0.00 36.38 32.55 3kwc s VAL 157 CO 0.37 -0.84 0.52 -0.63 0.00 0.00 0.00 175.10 174.52 3kwc s ILE 158 N 0.37 5.03 0.00 2.22 1.01 0.08 -4.88 121.20 125.03 3kwc s ILE 158 Ca 0.14 -0.66 0.00 0.00 0.00 0.00 0.00 60.65 60.13 3kwc s ILE 158 Cb -0.21 -4.20 0.00 0.00 0.01 0.00 0.00 42.46 38.06 3kwc s ILE 158 CO -0.04 -0.67 0.41 0.35 0.00 0.00 0.00 174.94 175.00 3kwc n THR 159 N 5.45 0.00 -4.18 2.92 -2.24 -1.26 -1.85 114.28 113.13 3kwc n THR 159 Ca -0.09 -0.42 -0.16 0.00 -2.27 0.00 0.00 64.05 61.11 3kwc n THR 159 Cb 0.45 1.16 -0.11 0.00 -2.10 0.00 0.00 70.33 69.73 3kwc n THR 159 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 3kwc s THR 160 N -0.02 1.03 0.28 4.28 -4.23 -1.26 -4.79 115.64 110.94 3kwc s THR 160 Ca 0.00 -1.52 0.13 0.00 -1.18 0.00 0.00 61.69 59.12 3kwc s THR 160 Cb 0.00 -1.25 0.03 0.00 1.34 0.00 0.00 72.50 72.62 3kwc s THR 160 CO 0.00 -0.42 1.69 -0.61 -0.54 0.00 0.00 174.62 174.74 3kwc h GLN 161 N 3.83 0.00 -0.74 3.99 5.75 -1.93 -2.88 115.11 123.13 3kwc h GLN 161 Ca -0.39 0.00 0.15 0.00 -0.15 0.00 0.00 58.65 58.26 3kwc h GLN 161 Cb 1.19 0.00 -0.10 0.00 1.07 0.00 0.00 27.48 29.64 3kwc h GLN 161 CO 0.48 0.51 0.24 1.96 -2.65 0.00 0.00 178.83 179.37 3kwc h GLN 162 N 0.00 0.35 -0.20 1.69 7.50 -1.98 0.39 115.11 122.86 3kwc h GLN 162 Ca -0.01 -0.02 -0.11 0.00 0.50 0.00 0.00 58.65 59.01 3kwc h GLN 162 Cb 0.95 -0.08 -0.00 0.00 0.05 0.00 0.00 27.48 28.40 3kwc h GLN 162 CO 0.07 0.23 -0.32 1.96 -1.50 0.00 0.00 178.83 179.27 3kwc h GLN 163 N 0.36 0.57 -0.11 1.46 4.20 -1.93 -3.21 115.11 116.45 3kwc h GLN 163 Ca 0.41 -0.35 -0.01 0.00 0.06 0.00 0.00 58.65 58.77 3kwc h GLN 163 Cb 0.66 0.03 -0.01 0.00 0.30 0.00 0.00 27.48 28.47 3kwc h GLN 163 CO -0.45 0.95 0.03 0.00 -0.67 0.00 0.00 178.83 178.70 3kwc h ALA 164 N 0.61 1.86 0.00 3.87 0.00 -1.28 -2.41 119.26 121.90 3kwc h ALA 164 Ca 0.02 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.88 3kwc h ALA 164 Cb 0.90 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.64 3kwc h ALA 164 CO 0.07 0.12 0.00 -0.25 0.00 0.00 0.00 179.25 179.19 3kwc n ASP 165 N -4.48 0.00 -2.09 0.00 8.00 0.08 -4.13 116.55 113.93 3kwc n ASP 165 Ca -0.01 -0.02 -0.24 0.00 0.71 0.00 0.00 54.79 55.22 3kwc n ASP 165 Cb 0.11 -0.31 0.02 0.00 -0.02 0.00 0.00 41.12 40.92 3kwc n ASP 165 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 3kwc n ARG 166 N -1.31 3.58 -4.04 -1.24 5.12 -0.91 -5.06 116.66 112.81 3kwc n ARG 166 Ca 0.12 -4.22 -0.33 0.00 -1.93 0.00 0.00 57.85 51.50 3kwc n ARG 166 Cb 0.23 -2.27 -0.06 0.00 -1.16 0.00 0.00 32.46 29.20 3kwc n ARG 166 CO 0.00 0.00 0.00 -0.51 -1.93 0.00 0.00 177.63 175.19 3kwc s LEU 167 N -3.59 4.03 0.62 0.55 1.43 -1.26 -5.06 118.68 115.40 3kwc s LEU 167 Ca 0.50 0.19 -0.14 0.00 -1.03 0.00 0.00 54.13 53.65 3kwc s LEU 167 Cb 0.41 -2.41 -0.02 0.00 0.03 0.00 0.00 46.19 44.19 3kwc s LEU 167 CO 0.00 0.26 1.05 -2.16 0.23 0.00 0.00 176.35 175.73 3kwc s PRO 168 N -1.89 3.23 0.39 1.29 0.04 -1.26 -4.88 135.00 131.92 3kwc s PRO 168 Ca 0.25 1.11 -0.26 0.00 0.04 0.00 0.00 61.00 62.14 3kwc s PRO 168 Cb -0.12 -2.02 -0.09 0.00 0.04 0.00 0.00 34.50 32.31 3kwc s PRO 168 CO 0.17 -0.87 1.16 -0.80 0.04 0.00 0.00 177.00 176.69 3kwc s ASN 169 N -3.13 6.61 0.66 6.66 0.01 -1.26 -1.00 114.94 123.48 3kwc s ASN 169 Ca 0.61 2.32 -0.18 0.00 -0.71 0.00 0.00 52.86 54.91 3kwc s ASN 169 Cb -0.15 -2.61 -0.01 0.00 0.41 0.00 0.00 41.25 38.89 3kwc s ASN 169 CO 0.42 -0.61 1.23 1.33 -1.51 0.00 0.00 177.10 177.96 3kwc n VAL 170 N 0.18 4.49 -3.68 1.60 0.24 -0.74 -4.61 118.33 115.81 3kwc n VAL 170 Ca 0.04 -0.47 -0.20 0.00 -2.04 0.00 0.00 64.34 61.67 3kwc n VAL 170 Cb 0.46 -1.41 -0.01 0.00 -1.47 0.00 0.00 33.84 31.41 3kwc n VAL 170 CO 0.00 0.00 0.00 -1.61 -2.14 0.00 0.00 176.83 173.08 3kwc s GLU 171 N -3.36 3.13 0.24 7.34 0.41 -1.26 -5.01 118.70 120.20 3kwc s GLU 171 Ca 0.81 -0.99 -0.06 0.00 -0.41 0.00 0.00 54.97 54.32 3kwc s GLU 171 Cb -0.38 -2.78 0.46 0.00 -1.78 0.00 0.00 34.13 29.66 3kwc s GLU 171 CO 0.42 0.18 1.67 0.93 -0.49 0.00 0.00 175.26 177.97 3kwc h GLU 172 N 1.05 0.21 0.00 1.61 4.39 -2.00 -1.07 114.58 118.76 3kwc h GLU 172 Ca -0.47 -0.01 -0.04 0.00 0.34 0.00 0.00 59.36 59.18 3kwc h GLU 172 Cb 1.25 -0.05 -0.01 0.00 -0.10 0.00 0.00 28.75 29.85 3kwc h GLU 172 CO 0.56 0.14 -0.18 0.66 -1.16 0.00 0.00 179.01 179.02 3kwc h SER 173 N 0.21 0.00 -0.14 1.42 4.64 -1.99 -2.21 113.55 115.48 3kwc h SER 173 Ca 0.41 0.00 -0.04 0.00 -0.47 0.00 0.00 61.79 61.70 3kwc h SER 173 Cb 0.72 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.81 3kwc h SER 173 CO -0.55 0.18 -0.05 0.44 -0.87 0.00 0.00 176.83 175.98 3kwc h ASP 174 N 0.00 0.29 -0.51 4.97 3.32 -1.60 -2.48 116.42 120.41 3kwc h ASP 174 Ca -0.00 -0.39 0.06 0.00 0.02 0.00 0.00 57.03 56.72 3kwc h ASP 174 Cb 0.55 -0.08 -0.05 0.00 0.22 0.00 0.00 39.33 39.97 3kwc h ASP 174 CO 0.02 0.62 0.22 0.40 -1.72 0.00 0.00 179.24 178.78 3kwc h ILE 175 N -0.03 0.88 -0.60 0.35 1.08 -1.14 -1.60 117.51 116.45 3kwc h ILE 175 Ca 0.03 -0.15 -0.06 0.00 -0.39 0.00 0.00 64.86 64.30 3kwc h ILE 175 Cb 0.50 0.42 -0.02 0.00 -3.07 0.00 0.00 36.82 34.64 3kwc h ILE 175 CO 0.02 0.08 0.14 -0.74 -0.69 0.00 0.00 178.15 176.96 3kwc h HIS 176 N 0.43 1.01 -0.16 1.37 2.76 -1.43 -1.66 115.15 117.47 3kwc h HIS 176 Ca 0.24 -0.12 0.00 0.00 -2.20 0.00 0.00 60.37 58.29 3kwc h HIS 176 Cb 0.21 -0.28 -0.01 0.00 1.55 0.00 0.00 27.41 28.88 3kwc h HIS 176 CO -0.13 0.86 0.10 0.35 -1.30 0.00 0.00 177.93 177.80 3kwc h PHE 177 N 0.87 0.18 -0.05 5.26 3.57 -1.29 -2.42 116.94 123.06 3kwc h PHE 177 Ca 0.19 0.01 0.02 0.00 3.53 0.00 0.00 57.97 61.71 3kwc h PHE 177 Cb 0.36 -0.06 -0.02 0.00 2.79 0.00 0.00 35.95 39.01 3kwc h PHE 177 CO 0.03 0.11 -0.07 0.00 -2.23 0.00 0.00 178.31 176.15 3kwc h ALA 178 N 1.06 -0.02 -0.49 2.41 0.00 -1.04 -2.83 119.26 118.35 3kwc h ALA 178 Ca 0.06 0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.98 3kwc h ALA 178 Cb -0.01 0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.89 3kwc h ALA 178 CO -0.02 -0.54 0.26 -0.56 0.00 0.00 0.00 179.25 178.38 3kwc h GLN 179 N -0.09 0.67 -0.34 0.00 -0.00 -1.31 -2.82 115.11 111.22 3kwc h GLN 179 Ca 0.05 -0.07 0.00 0.00 -0.00 0.00 0.00 58.65 58.63 3kwc h GLN 179 Cb 0.16 -0.14 -0.02 0.00 -0.00 0.00 0.00 27.48 27.49 3kwc h GLN 179 CO -0.11 0.51 0.22 1.25 -0.00 0.00 0.00 178.83 180.70 3kwc h HIS 180 N 0.68 0.44 -0.79 0.06 2.76 -1.20 -1.88 115.15 115.22 3kwc h HIS 180 Ca 0.17 0.01 0.01 0.00 -2.20 0.00 0.00 60.37 58.36 3kwc h HIS 180 Cb 0.04 -0.15 -0.04 0.00 1.55 0.00 0.00 27.41 28.81 3kwc h HIS 180 CO 0.00 0.29 0.52 0.28 -1.30 0.00 0.00 177.93 177.73 3kwc h VAL 181 N 0.46 1.20 0.01 5.26 2.07 -1.27 0.14 116.25 124.13 3kwc h VAL 181 Ca 0.13 -0.37 0.01 0.00 0.82 0.00 0.00 66.70 67.28 3kwc h VAL 181 Cb -0.03 0.04 -0.01 0.00 -1.52 0.00 0.00 31.29 29.76 3kwc h VAL 181 CO -0.03 0.20 -0.07 0.58 0.02 0.00 0.00 177.57 178.27 3kwc h VAL 182 N 1.08 0.82 -0.58 2.57 2.07 -1.28 -2.58 116.25 118.35 3kwc h VAL 182 Ca 0.29 0.00 -0.04 0.00 0.82 0.00 0.00 66.70 67.77 3kwc h VAL 182 Cb -0.12 0.82 -0.03 0.00 -1.52 0.00 0.00 31.29 30.45 3kwc h VAL 182 CO -0.06 0.00 0.21 1.23 0.02 0.00 0.00 177.57 178.97 3kwc h GLY 183 N -0.13 0.93 0.36 2.17 0.00 -1.03 -2.48 103.07 102.90 3kwc h GLY 183 Ca 0.02 -0.52 0.07 0.00 0.00 0.00 0.00 47.33 46.90 3kwc h GLY 183 CO -0.06 0.49 0.00 -2.22 0.00 0.00 0.00 176.54 174.75 3kwc h ILE 184 N 0.80 0.70 -0.26 2.60 1.08 -0.88 -2.49 117.51 119.06 3kwc h ILE 184 Ca 0.19 -0.04 -0.13 0.00 -0.39 0.00 0.00 64.86 64.49 3kwc h ILE 184 Cb 0.23 0.58 -0.01 0.00 -3.07 0.00 0.00 36.82 34.55 3kwc h ILE 184 CO -0.01 0.02 -0.39 0.78 -0.69 0.00 0.00 178.15 177.86 3kwc h ASN 185 N 0.11 0.63 -1.00 1.72 2.35 -1.30 -1.98 115.58 116.11 3kwc h ASN 185 Ca 0.20 -0.28 0.16 0.00 -0.55 0.00 0.00 56.30 55.83 3kwc h ASN 185 Cb 0.28 -0.18 -0.09 0.00 0.05 0.00 0.00 38.32 38.38 3kwc h ASN 185 CO -0.33 0.95 0.62 -0.33 -1.65 0.00 0.00 177.43 176.70 3kwc h GLU 186 N 0.49 0.82 -0.12 0.81 5.08 -1.21 -1.63 114.58 118.83 3kwc h GLU 186 Ca 0.04 -0.05 -0.18 0.00 -1.00 0.00 0.00 59.36 58.17 3kwc h GLU 186 Cb 0.90 -0.19 -0.00 0.00 0.50 0.00 0.00 28.75 29.96 3kwc h GLU 186 CO 0.08 0.55 -0.68 0.00 -1.00 0.00 0.00 179.01 177.95 3kwc h ALA 187 N 1.60 0.57 -0.36 3.43 0.00 -0.95 -3.14 119.26 120.41 3kwc h ALA 187 Ca 0.54 -0.58 -0.05 0.00 0.00 0.00 0.00 54.91 54.82 3kwc h ALA 187 Cb 0.73 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.45 3kwc h ALA 187 CO -0.32 0.73 0.05 -0.07 0.00 0.00 0.00 179.25 179.63 3kwc h LEU 188 N 0.37 0.58 -0.75 0.00 3.38 -0.82 -2.64 115.31 115.44 3kwc h LEU 188 Ca -0.02 -0.27 -0.01 0.00 0.09 0.00 0.00 57.88 57.67 3kwc h LEU 188 Cb 1.26 -0.16 -0.04 0.00 0.09 0.00 0.00 40.66 41.82 3kwc h LEU 188 CO 0.13 0.71 0.42 0.17 0.09 0.00 0.00 178.44 179.96 3kwc h LEU 189 N 0.44 0.92 -1.40 1.67 8.10 -1.34 -1.17 115.31 122.53 3kwc h LEU 189 Ca 0.11 -0.09 -0.06 0.00 0.11 0.00 0.00 57.88 57.95 3kwc h LEU 189 Cb 0.38 -0.23 -0.01 0.00 -0.44 0.00 0.00 40.66 40.36 3kwc h LEU 189 CO 0.01 0.74 -0.28 0.77 -4.11 0.00 0.00 178.44 175.57 3kwc h SER 190 N 1.03 0.00 -0.08 0.17 4.64 -1.54 -2.01 113.55 115.76 3kwc h SER 190 Ca 0.27 0.00 -0.03 0.00 -0.47 0.00 0.00 61.79 61.55 3kwc h SER 190 Cb 0.01 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.10 3kwc h SER 190 CO -0.05 0.28 -0.08 1.23 -0.87 0.00 0.00 176.83 177.35 3kwc h GLY 191 N 1.21 0.22 1.81 -0.77 0.00 -0.99 -2.69 103.07 101.85 3kwc h GLY 191 Ca -0.00 -0.22 -0.06 0.00 0.00 0.00 0.00 47.33 47.04 3kwc h GLY 191 CO 0.04 0.20 -0.19 -0.97 0.00 0.00 0.00 176.54 175.62 3kwc h TYR 192 N -0.21 0.25 -0.35 5.60 0.05 -1.13 -2.37 116.97 118.80 3kwc h TYR 192 Ca 0.01 -0.04 -0.14 0.00 0.05 0.00 0.00 58.73 58.62 3kwc h TYR 192 Cb 0.59 -0.07 -0.01 0.00 1.01 0.00 0.00 36.73 38.25 3kwc h TYR 192 CO 0.09 0.42 -0.33 1.96 -1.05 0.00 0.00 178.16 179.25 3kwc h GLN 193 N 0.22 0.78 -0.82 4.88 4.20 -1.40 -2.88 115.11 120.09 3kwc h GLN 193 Ca 0.04 -0.37 0.01 0.00 0.06 0.00 0.00 58.65 58.39 3kwc h GLN 193 Cb 0.47 -0.01 -0.04 0.00 0.30 0.00 0.00 27.48 28.20 3kwc h GLN 193 CO 0.03 0.99 0.54 0.00 -0.67 0.00 0.00 178.83 179.72 3kwc h ALA 195 N 1.30 1.32 -0.11 0.00 0.00 -1.26 -2.03 119.26 118.48 3kwc h ALA 195 Ca 0.30 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 55.11 3kwc h ALA 195 Cb -0.13 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.65 3kwc h ALA 195 CO -0.06 0.13 0.00 0.39 0.00 0.00 0.00 179.25 179.71 3kwc n GLU 196 N -3.67 1.68 -4.10 0.00 1.02 -0.89 -4.76 120.64 109.92 3kwc n GLU 196 Ca -0.02 -1.01 -0.32 0.00 -0.02 0.00 0.00 57.16 55.78 3kwc n GLU 196 Cb 0.22 -1.42 -0.16 0.00 -0.02 0.00 0.00 31.44 30.06 3kwc n GLU 196 CO 0.00 0.00 0.00 1.21 1.18 0.00 0.00 177.13 179.52 3kwc s ASN 197 N -1.72 3.60 0.19 1.62 3.84 -0.77 -5.03 114.94 116.68 3kwc s ASN 197 Ca 0.34 -0.92 -0.12 0.00 0.21 0.00 0.00 52.86 52.37 3kwc s ASN 197 Cb 0.19 -1.49 0.22 0.00 -0.55 0.00 0.00 41.25 39.62 3kwc s ASN 197 CO 0.29 -0.07 1.73 -0.29 -2.79 0.00 0.00 177.10 175.96 3kwc h ILE 198 N 6.26 0.75 -0.40 -5.21 6.09 -1.86 -1.98 117.51 121.16 3kwc h ILE 198 Ca -0.36 -0.10 0.07 0.00 -1.37 0.00 0.00 64.86 63.10 3kwc h ILE 198 Cb 1.10 0.42 -0.02 0.00 0.47 0.00 0.00 36.82 38.79 3kwc h ILE 198 CO 0.57 0.06 0.28 0.00 -3.07 0.00 0.00 178.15 175.98 3kwc h ALA 199 N 1.39 2.09 0.00 0.18 0.00 -1.95 -2.11 119.26 118.86 3kwc h ALA 199 Ca 0.27 -0.01 -0.14 0.00 0.00 0.00 0.00 54.91 55.02 3kwc h ALA 199 Cb 0.34 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.07 3kwc h ALA 199 CO -0.31 -0.18 -0.80 0.00 0.00 0.00 0.00 179.25 177.96 3kwc h ILE 201 N -1.00 1.23 0.31 0.00 6.09 -1.38 -3.37 117.51 119.39 3kwc h ILE 201 Ca -0.21 -2.70 -0.02 0.00 -1.37 0.00 0.00 64.86 60.56 3kwc h ILE 201 Cb 1.13 2.58 0.00 0.00 0.47 0.00 0.00 36.82 41.01 3kwc h ILE 201 CO -0.13 0.69 -0.15 0.00 -3.07 0.00 0.00 178.15 175.49 3kwc h ALA 202 N 1.29 -0.42 -0.07 0.18 0.00 -1.61 -1.96 119.26 116.68 3kwc h ALA 202 Ca -0.01 -0.10 0.02 0.00 0.00 0.00 0.00 54.91 54.82 3kwc h ALA 202 Cb 1.53 0.16 -0.00 0.00 0.00 0.00 0.00 17.79 19.48 3kwc h ALA 202 CO 0.09 -0.71 0.09 -1.35 0.00 0.00 0.00 179.25 177.37 3kwc h PRO 203 N -0.46 0.00 -0.00 0.00 0.11 -1.79 -1.08 132.00 128.78 3kwc h PRO 203 Ca -0.04 0.00 -0.02 0.00 0.11 0.00 0.00 66.00 66.04 3kwc h PRO 203 Cb 0.35 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.46 3kwc h PRO 203 CO 0.07 0.00 -0.09 0.82 -0.21 0.00 0.00 178.00 178.59 3kwc h ILE 204 N 0.00 1.60 0.00 4.15 2.04 -1.64 -3.24 117.51 120.41 3kwc h ILE 204 Ca 0.03 -1.88 -0.04 0.00 1.00 0.00 0.00 64.86 63.98 3kwc h ILE 204 Cb 0.22 2.83 -0.01 0.00 -0.74 0.00 0.00 36.82 39.13 3kwc h ILE 204 CO -0.00 0.50 -0.17 0.03 0.00 0.00 0.00 178.15 178.50 3kwc h ARG 205 N -0.68 0.00 -0.28 2.37 3.08 -0.98 -2.20 114.38 115.69 3kwc h ARG 205 Ca -0.01 0.00 -0.02 0.00 0.07 0.00 0.00 59.98 60.02 3kwc h ARG 205 Cb 0.86 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.90 3kwc h ARG 205 CO 0.02 0.17 0.10 -0.91 -1.07 0.00 0.00 179.97 178.28 3kwc h ASN 206 N 0.00 0.35 1.17 7.04 2.35 -1.29 -2.74 115.58 122.46 3kwc h ASN 206 Ca -0.00 -0.03 -0.00 0.00 -0.55 0.00 0.00 56.30 55.72 3kwc h ASN 206 Cb 0.33 -0.09 -0.00 0.00 0.05 0.00 0.00 38.32 38.61 3kwc h ASN 206 CO 0.02 0.33 -0.01 -0.33 -1.65 0.00 0.00 177.43 175.79 3kwc h GLU 207 N 0.39 0.00 0.00 0.81 5.08 -1.42 -3.51 114.58 115.93 3kwc h GLU 207 Ca 0.10 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.46 3kwc h GLU 207 Cb 0.10 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.35 3kwc h GLU 207 CO -0.01 0.01 0.00 1.28 -1.00 0.00 0.00 179.01 179.29