#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 3.06 0.11 1.08 0.15 -1.26 -1.95 113.70 114.89 3kwc s SER 5 Ca 0.00 -0.58 0.07 0.00 0.70 0.00 0.00 55.95 56.14 3kwc s SER 5 Cb 0.00 -1.41 -0.04 0.00 -1.71 0.00 0.00 66.02 62.86 3kwc s SER 5 CO 0.00 0.11 -0.17 -0.31 1.20 0.00 0.00 173.24 174.07 3kwc s TYR 6 N 0.64 1.54 0.47 3.44 2.02 0.12 -5.02 117.35 120.56 3kwc s TYR 6 Ca -0.12 -0.48 -0.20 0.00 -0.37 0.00 0.00 57.07 55.91 3kwc s TYR 6 Cb -0.16 -0.82 -0.09 0.00 -0.40 0.00 0.00 41.96 40.48 3kwc s TYR 6 CO 0.02 0.17 0.99 0.00 -1.57 0.00 0.00 175.55 175.16 3kwc s ALA 7 N -1.63 2.98 0.34 3.71 0.00 -1.26 -1.18 121.76 124.72 3kwc s ALA 7 Ca 0.07 0.42 -0.29 0.00 0.00 0.00 0.00 51.96 52.16 3kwc s ALA 7 Cb -0.08 -3.18 -0.10 0.00 0.00 0.00 0.00 23.12 19.76 3kwc s ALA 7 CO 0.04 -0.11 1.32 0.00 0.00 0.00 0.00 175.76 177.02 3kwc s ALA 8 N -2.21 3.49 0.59 0.00 0.00 0.95 -4.41 121.76 120.18 3kwc s ALA 8 Ca 0.63 1.29 -0.16 0.00 0.00 0.00 0.00 51.96 53.72 3kwc s ALA 8 Cb -0.12 -3.49 -0.04 0.00 0.00 0.00 0.00 23.12 19.47 3kwc s ALA 8 CO 0.19 -0.69 1.06 -1.25 0.00 0.00 0.00 175.76 175.07 3kwc s PRO 9 N -1.84 3.35 0.23 0.00 0.04 -1.26 -4.16 135.00 131.35 3kwc s PRO 9 Ca 0.50 1.21 -0.30 0.00 0.04 0.00 0.00 61.00 62.44 3kwc s PRO 9 Cb -0.40 -2.04 -0.09 0.00 0.04 0.00 0.00 34.50 32.01 3kwc s PRO 9 CO 0.54 -0.79 1.30 -1.25 0.04 0.00 0.00 177.00 176.85 3kwc s PRO 10 N -4.04 4.39 0.17 0.56 0.04 -1.26 -4.75 135.00 130.10 3kwc s PRO 10 Ca 0.64 2.08 -0.19 0.00 0.04 0.00 0.00 61.00 63.57 3kwc s PRO 10 Cb -0.16 -3.17 0.04 0.00 0.04 0.00 0.00 34.50 31.25 3kwc s PRO 10 CO 0.36 -0.22 0.51 -0.08 0.04 0.00 0.00 177.00 177.61 3kwc s THR 11 N -0.20 0.03 0.58 1.26 -1.32 0.16 -5.01 115.64 111.14 3kwc s THR 11 Ca 0.55 -0.54 0.28 0.00 -1.21 0.00 0.00 61.69 60.77 3kwc s THR 11 Cb -0.37 -1.34 0.36 0.00 -1.51 0.00 0.00 72.50 69.64 3kwc s THR 11 CO 0.41 -0.14 2.14 -0.65 -2.21 0.00 0.00 174.62 174.17 3kwc h PRO 12 N 2.19 0.00 0.00 7.08 0.11 -2.01 -2.80 132.00 136.57 3kwc h PRO 12 Ca -0.31 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.80 3kwc h PRO 12 Cb 1.27 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.38 3kwc h PRO 12 CO 0.40 0.00 -1.25 -2.67 -0.21 0.00 0.00 178.00 174.26 3kwc n TRP 13 N -3.87 0.03 -3.68 0.65 2.14 -1.26 -4.94 117.44 106.51 3kwc n TRP 13 Ca 0.00 0.01 -0.09 0.00 2.07 0.00 0.00 57.50 59.49 3kwc n TRP 13 Cb 0.26 -0.19 -0.10 0.00 -0.81 0.00 0.00 31.31 30.47 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 -3.51 -0.54 -0.05 -0.67 0.15 -1.06 -5.03 113.70 102.99 3kwc s SER 14 Ca 0.03 1.03 0.07 0.00 0.70 0.00 0.00 55.95 57.79 3kwc s SER 14 Cb 0.15 1.03 0.11 0.00 -1.71 0.00 0.00 66.02 65.61 3kwc s SER 14 CO 0.87 -0.21 0.99 0.54 1.20 0.00 0.00 173.24 176.63 3kwc n ARG 15 N 4.55 1.25 0.00 5.44 1.74 -1.26 -0.67 116.66 127.71 3kwc n ARG 15 Ca -0.19 -1.67 0.13 0.00 -0.77 0.00 0.00 57.85 55.35 3kwc n ARG 15 Cb 0.54 -1.02 0.52 0.00 -1.02 0.00 0.00 32.46 31.48 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 -0.69 0.15 -3.89 0.55 5.75 -1.26 -4.95 116.55 112.21 3kwc n ASP 16 Ca 0.06 0.27 -0.29 0.00 -0.01 0.00 0.00 54.79 54.82 3kwc n ASP 16 Cb 0.54 -0.28 0.02 0.00 -1.03 0.00 0.00 41.12 40.37 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 -1.49 -2.61 -4.76 -2.12 4.77 -1.26 -4.91 117.00 104.61 3kwc n LEU 17 Ca 0.07 -0.80 -0.38 0.00 -0.03 0.00 0.00 56.01 54.87 3kwc n LEU 17 Cb 0.34 -2.56 0.01 0.00 -2.33 0.00 0.00 43.42 38.89 3kwc n LEU 17 CO 0.29 0.46 0.90 0.00 -1.33 0.00 0.00 177.39 177.71 3kwc s ALA 18 N -3.38 2.91 0.21 -1.18 0.00 -1.26 -4.27 121.76 114.79 3kwc s ALA 18 Ca 0.54 1.12 0.10 0.00 0.00 0.00 0.00 51.96 53.72 3kwc s ALA 18 Cb -0.27 -3.47 -0.05 0.00 0.00 0.00 0.00 23.12 19.34 3kwc s ALA 18 CO 0.83 -0.98 -0.19 -1.21 0.00 0.00 0.00 175.76 174.20 3kwc s GLU 19 N -2.78 1.47 0.44 0.00 2.02 -1.25 -0.03 118.70 118.56 3kwc s GLU 19 Ca 0.67 -1.58 -0.25 0.00 0.02 0.00 0.00 54.97 53.82 3kwc s GLU 19 Cb -0.34 -1.55 -0.08 0.00 0.10 0.00 0.00 34.13 32.25 3kwc s GLU 19 CO 0.41 0.30 1.39 -2.14 0.02 0.00 0.00 175.26 175.24 3kwc s PRO 20 N -3.14 3.76 -0.32 0.39 0.02 -0.22 -4.50 135.00 130.99 3kwc s PRO 20 Ca 0.23 2.33 -0.09 0.00 0.02 0.00 0.00 61.00 63.49 3kwc s PRO 20 Cb -0.05 -2.67 0.00 0.00 0.02 0.00 0.00 34.50 31.80 3kwc s PRO 20 CO 0.10 -0.73 0.14 -1.21 -0.33 0.00 0.00 177.00 174.97 3kwc s GLU 21 N -2.40 3.19 -0.21 5.54 2.02 -0.44 -4.93 118.70 121.46 3kwc s GLU 21 Ca 0.60 -0.82 0.02 0.00 0.02 0.00 0.00 54.97 54.79 3kwc s GLU 21 Cb -0.42 -3.54 0.04 0.00 0.10 0.00 0.00 34.13 30.31 3kwc s GLU 21 CO 0.54 -0.47 -0.14 0.42 0.02 0.00 0.00 175.26 175.63 3kwc s ILE 22 N 1.57 1.94 0.19 -1.63 1.01 -1.26 -1.12 121.20 121.90 3kwc s ILE 22 Ca 0.04 -1.17 -0.33 0.00 0.00 0.00 0.00 60.65 59.19 3kwc s ILE 22 Cb -0.17 -1.93 -0.14 0.00 0.01 0.00 0.00 42.46 40.22 3kwc s ILE 22 CO 0.05 0.24 1.41 0.00 0.00 0.00 0.00 174.94 176.64 3kwc n ALA 23 N 4.59 0.62 0.33 9.38 0.00 -0.72 -4.87 120.51 129.83 3kwc n ALA 23 Ca -0.17 0.44 0.20 0.00 0.00 0.00 0.00 53.44 53.91 3kwc n ALA 23 Cb 0.46 -2.23 1.05 0.00 0.00 0.00 0.00 19.45 18.73 3kwc n ALA 23 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 3kwc h PRO 24 N 4.61 0.00 -0.06 0.00 0.13 -1.93 -1.28 132.00 133.47 3kwc h PRO 24 Ca -0.45 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.68 3kwc h PRO 24 Cb 1.29 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.42 3kwc h PRO 24 CO 0.79 0.00 0.00 0.25 -0.23 0.00 0.00 178.00 178.81 3kwc n THR 25 N -2.97 0.06 -3.02 1.56 -2.24 -1.26 -4.88 114.28 101.53 3kwc n THR 25 Ca -0.03 -0.28 -0.31 0.00 -2.27 0.00 0.00 64.05 61.16 3kwc n THR 25 Cb 0.18 0.48 -0.04 0.00 -2.10 0.00 0.00 70.33 68.85 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 -1.94 3.37 -0.21 6.98 0.00 -0.49 -3.20 121.76 126.28 3kwc s ALA 26 Ca 0.36 -0.15 0.02 0.00 0.00 0.00 0.00 51.96 52.19 3kwc s ALA 26 Cb 0.20 -2.68 0.03 0.00 0.00 0.00 0.00 23.12 20.68 3kwc s ALA 26 CO 0.31 0.16 -0.17 -0.47 0.00 0.00 0.00 175.76 175.59 3kwc s TYR 27 N -2.18 2.94 -0.26 0.00 5.04 -0.45 -4.94 117.35 117.50 3kwc s TYR 27 Ca 0.51 -1.87 -0.05 0.00 -2.44 0.00 0.00 57.07 53.23 3kwc s TYR 27 Cb -0.10 -1.93 0.00 0.00 0.35 0.00 0.00 41.96 40.28 3kwc s TYR 27 CO 0.26 -0.83 0.02 0.08 -1.34 0.00 0.00 175.55 173.73 3kwc s VAL 28 N 1.23 3.61 0.45 3.14 1.01 -1.26 -1.66 120.40 126.92 3kwc s VAL 28 Ca 0.00 -0.65 -0.25 0.00 0.00 0.00 0.00 61.98 61.08 3kwc s VAL 28 Cb -0.15 -2.78 -0.08 0.00 0.00 0.00 0.00 36.38 33.37 3kwc s VAL 28 CO -0.10 0.23 1.41 -1.00 0.00 0.00 0.00 175.10 175.64 3kwc s HIS 29 N 1.47 2.48 0.17 5.22 3.76 -0.63 -4.93 115.29 122.84 3kwc s HIS 29 Ca 0.03 1.28 -0.14 0.00 -0.15 0.00 0.00 55.06 56.09 3kwc s HIS 29 Cb -0.16 -3.89 0.12 0.00 1.11 0.00 0.00 32.58 29.76 3kwc s HIS 29 CO -0.00 -2.85 1.75 0.77 -0.85 0.00 0.00 174.74 173.56 3kwc h SER 30 N 2.31 0.19 -0.23 1.40 0.02 -1.96 -3.31 113.55 111.98 3kwc h SER 30 Ca -0.51 0.05 -0.62 0.00 -0.84 0.00 0.00 61.79 59.87 3kwc h SER 30 Cb 1.27 0.02 -0.02 0.00 0.14 0.00 0.00 62.40 63.81 3kwc h SER 30 CO 0.61 0.14 2.35 0.33 -1.14 0.00 0.00 176.83 179.13 3kwc n PHE 31 N -4.99 3.03 -3.74 3.45 7.35 -1.26 -4.58 117.46 116.72 3kwc n PHE 31 Ca 0.04 -2.30 -0.05 0.00 -0.76 0.00 0.00 57.45 54.37 3kwc n PHE 31 Cb 0.16 -2.29 -0.02 0.00 0.35 0.00 0.00 39.48 37.69 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 4.53 -0.22 -0.06 -2.13 1.04 -1.25 -0.01 113.70 115.60 3kwc s SER 32 Ca 0.55 -0.40 0.01 0.00 0.48 0.00 0.00 55.95 56.59 3kwc s SER 32 Cb 0.10 0.53 0.02 0.00 0.10 0.00 0.00 66.02 66.77 3kwc s SER 32 CO 0.05 -0.97 -0.06 0.21 0.98 0.00 0.00 173.24 173.46 3kwc s ASN 33 N -2.89 1.37 -0.05 7.02 2.47 -0.46 -4.42 114.94 117.98 3kwc s ASN 33 Ca 0.11 -0.18 0.04 0.00 0.42 0.00 0.00 52.86 53.25 3kwc s ASN 33 Cb -0.02 -0.57 -0.00 0.00 -1.45 0.00 0.00 41.25 39.21 3kwc s ASN 33 CO 0.02 -0.07 -0.17 -0.76 -3.72 0.00 0.00 177.10 172.40 3kwc s LEU 34 N 1.14 1.89 -0.05 3.21 1.02 -0.82 -1.49 118.68 123.57 3kwc s LEU 34 Ca -0.07 -0.36 -0.00 0.00 0.02 0.00 0.00 54.13 53.72 3kwc s LEU 34 Cb -0.14 -0.98 0.03 0.00 0.02 0.00 0.00 46.19 45.11 3kwc s LEU 34 CO -0.01 0.13 -0.01 -0.63 0.02 0.00 0.00 176.35 175.85 3kwc s ILE 35 N 0.16 0.35 0.00 -0.59 1.01 -0.41 -0.71 121.20 121.02 3kwc s ILE 35 Ca -0.07 0.06 0.00 0.00 0.00 0.00 0.00 60.65 60.64 3kwc s ILE 35 Cb -0.13 -0.46 0.00 0.00 0.01 0.00 0.00 42.46 41.88 3kwc s ILE 35 CO 0.03 0.22 0.00 0.61 0.00 0.00 0.00 174.94 175.80 3kwc n GLY 36 N 4.61 -1.14 3.33 6.18 0.00 -0.33 -0.40 105.19 117.44 3kwc n GLY 36 Ca -0.16 -1.53 -0.42 0.00 0.00 0.00 0.00 46.02 43.90 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 0.22 4.50 -4.34 1.61 4.64 -1.26 -1.06 116.55 120.87 3kwc n ASP 37 Ca 0.00 -2.88 -0.37 0.00 -1.38 0.00 0.00 54.79 50.16 3kwc n ASP 37 Cb 0.00 -1.71 -0.13 0.00 -1.04 0.00 0.00 41.12 38.24 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 4.28 3.88 -0.49 5.18 1.01 -1.26 -1.88 120.40 131.11 3kwc s VAL 38 Ca 0.53 -0.66 -0.13 0.00 0.00 0.00 0.00 61.98 61.72 3kwc s VAL 38 Cb 0.07 -2.97 0.10 0.00 0.00 0.00 0.00 36.38 33.58 3kwc s VAL 38 CO 0.04 0.13 0.40 -0.13 0.00 0.00 0.00 175.10 175.54 3kwc s ARG 39 N 1.50 2.83 -0.28 2.72 0.52 -0.75 -1.32 118.95 124.16 3kwc s ARG 39 Ca 0.03 -1.57 -0.08 0.00 -0.52 0.00 0.00 55.73 53.59 3kwc s ARG 39 Cb -0.17 -4.09 -0.01 0.00 0.52 0.00 0.00 34.95 31.20 3kwc s ARG 39 CO 0.02 -1.15 0.09 0.42 0.02 0.00 0.00 175.30 174.70 3kwc s ILE 40 N 1.54 4.26 0.02 1.52 1.01 -0.28 -1.24 121.20 128.03 3kwc s ILE 40 Ca 0.04 -0.41 -0.00 0.00 0.00 0.00 0.00 60.65 60.28 3kwc s ILE 40 Cb -0.26 -3.10 0.00 0.00 0.01 0.00 0.00 42.46 39.11 3kwc s ILE 40 CO 0.03 0.19 0.03 0.29 0.00 0.00 0.00 174.94 175.48 3kwc n LYS 41 N 4.92 0.55 -1.86 2.79 4.76 -0.75 -1.75 118.16 126.82 3kwc n LYS 41 Ca -0.15 -0.08 -0.41 0.00 -2.87 0.00 0.00 58.31 54.80 3kwc n LYS 41 Cb 0.50 -0.02 -0.01 0.00 -1.84 0.00 0.00 35.03 33.66 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 -1.12 6.45 -1.47 4.39 1.01 -1.26 -3.50 116.67 121.16 3kwc s ASP 42 Ca 0.02 2.93 -0.08 0.00 0.71 0.00 0.00 52.55 56.14 3kwc s ASP 42 Cb -0.00 -2.65 0.03 0.00 1.01 0.00 0.00 42.92 41.30 3kwc s ASP 42 CO 0.01 -0.82 0.80 -1.22 0.21 0.00 0.00 175.17 174.16 3kwc n TYR 43 N 1.16 -2.25 -3.17 4.23 4.01 -1.19 -1.00 117.16 118.94 3kwc n TYR 43 Ca 0.03 0.70 -0.39 0.00 -0.16 0.00 0.00 57.90 58.08 3kwc n TYR 43 Cb 0.39 -4.40 -0.05 0.00 -0.31 0.00 0.00 39.34 34.96 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 -3.20 4.96 -0.26 -0.72 1.01 -1.23 -3.41 120.40 117.54 3kwc s VAL 44 Ca 0.44 1.27 -0.08 0.00 0.00 0.00 0.00 61.98 63.61 3kwc s VAL 44 Cb -0.20 -3.95 -0.03 0.00 0.00 0.00 0.00 36.38 32.20 3kwc s VAL 44 CO 0.54 0.37 0.08 -2.28 0.00 0.00 0.00 175.10 173.82 3kwc s HIS 45 N 0.11 3.10 -0.27 5.22 2.46 -1.05 -1.34 115.29 123.52 3kwc s HIS 45 Ca 0.32 -0.44 -0.02 0.00 0.47 0.00 0.00 55.06 55.40 3kwc s HIS 45 Cb -0.18 -2.26 0.04 0.00 -0.13 0.00 0.00 32.58 30.05 3kwc s HIS 45 CO 0.17 -0.37 -0.03 0.42 -2.47 0.00 0.00 174.74 172.46 3kwc s ILE 46 N 1.62 2.96 0.70 0.89 1.01 -0.66 -0.42 121.20 127.28 3kwc s ILE 46 Ca 0.06 -1.16 -0.10 0.00 0.00 0.00 0.00 60.65 59.45 3kwc s ILE 46 Cb -0.15 -2.59 0.03 0.00 0.01 0.00 0.00 42.46 39.76 3kwc s ILE 46 CO 0.04 0.07 1.05 0.00 0.00 0.00 0.00 174.94 176.10 3kwc s ALA 47 N 1.30 2.98 0.43 9.38 0.00 0.14 -1.60 121.76 134.38 3kwc s ALA 47 Ca -0.02 -0.56 -0.25 0.00 0.00 0.00 0.00 51.96 51.13 3kwc s ALA 47 Cb -0.18 -2.86 -0.09 0.00 0.00 0.00 0.00 23.12 19.99 3kwc s ALA 47 CO -0.03 -1.18 1.28 -2.30 0.00 0.00 0.00 175.76 173.53 3kwc n PRO 48 N -2.95 1.92 -0.53 0.00 -0.02 -1.26 -3.60 135.00 128.57 3kwc n PRO 48 Ca 0.07 0.69 0.00 0.00 -2.02 0.00 0.00 63.50 62.23 3kwc n PRO 48 Cb 0.58 -2.40 0.00 0.00 -0.02 0.00 0.00 33.50 31.67 3kwc n PRO 48 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3kwc n GLY 49 N 0.81 0.75 3.83 -1.23 0.00 0.98 -2.56 105.19 107.76 3kwc n GLY 49 Ca 0.07 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.74 3kwc n GLY 49 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3kwc s THR 50 N -2.34 4.59 -0.20 2.61 -4.23 -1.24 -3.68 115.64 111.15 3kwc s THR 50 Ca 0.00 1.19 0.00 0.00 -1.18 0.00 0.00 61.69 61.70 3kwc s THR 50 Cb 0.00 -3.77 0.05 0.00 1.34 0.00 0.00 72.50 70.12 3kwc s THR 50 CO 0.00 0.05 -0.08 -0.55 -0.54 0.00 0.00 174.62 173.50 3kwc s SER 51 N -1.89 3.35 -0.21 3.99 0.15 -0.34 -1.36 113.70 117.39 3kwc s SER 51 Ca 0.48 -0.89 -0.01 0.00 0.70 0.00 0.00 55.95 56.23 3kwc s SER 51 Cb -0.14 -1.15 0.01 0.00 -1.71 0.00 0.00 66.02 63.04 3kwc s SER 51 CO 0.20 -0.17 -0.11 -0.63 1.20 0.00 0.00 173.24 173.72 3kwc s ILE 52 N 1.45 2.71 -0.29 6.45 1.01 -0.56 -1.33 121.20 130.64 3kwc s ILE 52 Ca -0.02 -0.81 -0.02 0.00 0.00 0.00 0.00 60.65 59.80 3kwc s ILE 52 Cb -0.16 -2.24 0.10 0.00 0.01 0.00 0.00 42.46 40.16 3kwc s ILE 52 CO -0.08 0.41 0.10 -0.60 0.00 0.00 0.00 174.94 174.77 3kwc s ARG 53 N 1.36 0.60 -1.01 2.79 3.52 -0.35 -1.29 118.95 124.58 3kwc s ARG 53 Ca 0.04 -0.89 -0.01 0.00 -0.13 0.00 0.00 55.73 54.74 3kwc s ARG 53 Cb -0.14 -1.83 0.32 0.00 -1.56 0.00 0.00 34.95 31.73 3kwc s ARG 53 CO -0.08 -0.96 1.82 0.00 -0.81 0.00 0.00 175.30 175.28 3kwc n ALA 54 N 4.95 6.07 -0.04 6.12 0.00 0.46 -4.45 120.51 133.63 3kwc n ALA 54 Ca -0.04 -4.59 0.01 0.00 0.00 0.00 0.00 53.44 48.83 3kwc n ALA 54 Cb 0.43 -2.14 -0.13 0.00 0.00 0.00 0.00 19.45 17.60 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 -0.09 1.20 0.00 0.00 3.85 -1.26 -4.21 116.55 116.04 3kwc n ASP 55 Ca 0.47 0.00 0.00 0.00 -0.71 0.00 0.00 54.79 54.55 3kwc n ASP 55 Cb 0.26 1.34 0.00 0.00 -1.35 0.00 0.00 41.12 41.37 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 -2.31 0.00 -2.26 0.11 2.13 -1.26 -4.87 120.64 112.17 3kwc n GLU 56 Ca -0.13 0.00 -0.37 0.00 0.66 0.00 0.00 57.16 57.31 3kwc n GLU 56 Cb 0.70 0.00 -0.01 0.00 0.27 0.00 0.00 31.44 32.40 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 -0.17 2.79 -0.15 8.31 0.00 -0.73 -4.57 107.32 112.81 3kwc s GLY 57 Ca 0.00 0.94 -0.30 0.00 0.00 0.00 0.00 44.72 45.36 3kwc s GLY 57 CO 0.00 1.40 1.02 -1.08 0.00 0.00 0.00 173.10 174.44 3kwc s THR 58 N -1.53 0.00 0.70 0.90 -1.32 -1.26 -4.60 115.64 108.54 3kwc s THR 58 Ca 0.62 0.00 -0.10 0.00 -1.21 0.00 0.00 61.69 61.00 3kwc s THR 58 Cb -0.29 -1.00 0.03 0.00 -1.51 0.00 0.00 72.50 69.73 3kwc s THR 58 CO 0.35 0.00 1.07 -2.16 -2.21 0.00 0.00 174.62 171.68 3kwc s PRO 59 N -1.47 2.70 0.00 7.08 0.04 -1.26 -4.19 135.00 137.90 3kwc s PRO 59 Ca 0.01 0.30 0.00 0.00 0.04 0.00 0.00 61.00 61.34 3kwc s PRO 59 Cb -0.01 -2.06 -0.04 0.00 0.04 0.00 0.00 34.50 32.44 3kwc s PRO 59 CO -0.01 -1.08 0.07 -0.06 0.04 0.00 0.00 177.00 175.96 3kwc s PHE 60 N -3.33 3.24 -0.08 0.56 0.08 -0.79 -1.46 117.98 116.20 3kwc s PHE 60 Ca 0.58 0.17 0.02 0.00 0.12 0.00 0.00 56.93 57.83 3kwc s PHE 60 Cb -0.11 -1.72 0.01 0.00 -0.57 0.00 0.00 43.02 40.64 3kwc s PHE 60 CO 0.50 0.53 -0.14 -1.58 -0.10 0.00 0.00 175.22 174.43 3kwc s HIS 61 N -1.19 1.71 -0.21 0.36 5.65 0.94 -1.82 115.29 120.74 3kwc s HIS 61 Ca 0.23 -0.71 0.01 0.00 0.25 0.00 0.00 55.06 54.83 3kwc s HIS 61 Cb -0.12 -1.25 0.05 0.00 -1.18 0.00 0.00 32.58 30.08 3kwc s HIS 61 CO 0.14 -0.37 -0.10 0.42 -0.65 0.00 0.00 174.74 174.18 3kwc s ILE 62 N 0.80 1.70 0.96 0.89 1.01 -0.37 -0.25 121.20 125.95 3kwc s ILE 62 Ca -0.11 -1.12 -0.15 0.00 0.00 0.00 0.00 60.65 59.27 3kwc s ILE 62 Cb -0.16 -1.81 0.17 0.00 0.01 0.00 0.00 42.46 40.68 3kwc s ILE 62 CO 0.02 0.11 1.20 -0.83 0.00 0.00 0.00 174.94 175.44 3kwc s GLY 63 N 1.36 1.65 0.37 6.18 0.00 -0.41 -1.80 107.32 114.66 3kwc s GLY 63 Ca -0.03 -0.84 -0.27 0.00 0.00 0.00 0.00 44.72 43.58 3kwc s GLY 63 CO -0.08 -0.17 1.26 -1.35 0.00 0.00 0.00 173.10 172.76 3kwc s SER 64 N -4.39 6.58 -1.48 1.64 1.04 -1.26 -3.06 113.70 112.77 3kwc s SER 64 Ca 0.68 2.57 0.00 0.00 0.48 0.00 0.00 55.95 59.68 3kwc s SER 64 Cb -0.10 -2.64 0.00 0.00 0.10 0.00 0.00 66.02 63.39 3kwc s SER 64 CO 0.53 -0.65 0.00 0.54 0.98 0.00 0.00 173.24 174.64 3kwc n ARG 65 N 0.42 -1.02 -3.53 4.02 1.74 -0.17 -1.19 116.66 116.93 3kwc n ARG 65 Ca 0.02 0.96 -0.36 0.00 -0.77 0.00 0.00 57.85 57.70 3kwc n ARG 65 Cb 0.44 -5.09 -0.06 0.00 -1.02 0.00 0.00 32.46 26.73 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 -2.56 5.06 -0.00 0.55 2.01 -1.17 -4.01 115.64 115.52 3kwc s THR 66 Ca 0.00 0.67 0.06 0.00 0.31 0.00 0.00 61.69 62.73 3kwc s THR 66 Cb 0.00 -3.68 -0.03 0.00 0.01 0.00 0.00 72.50 68.81 3kwc s THR 66 CO 0.00 0.45 -0.19 0.54 -0.69 0.00 0.00 174.62 174.73 3kwc s ASN 67 N -1.38 3.70 -0.23 3.53 2.20 -0.62 -2.54 114.94 119.59 3kwc s ASN 67 Ca 0.28 -0.36 0.01 0.00 -0.94 0.00 0.00 52.86 51.85 3kwc s ASN 67 Cb -0.15 -0.62 0.06 0.00 -2.00 0.00 0.00 41.25 38.53 3kwc s ASN 67 CO 0.15 0.30 -0.08 -0.63 -2.94 0.00 0.00 177.10 173.91 3kwc s ILE 68 N -0.79 1.71 0.00 0.54 -1.09 0.44 -1.28 121.20 120.72 3kwc s ILE 68 Ca 0.12 -1.27 0.00 0.00 -2.23 0.00 0.00 60.65 57.27 3kwc s ILE 68 Cb -0.10 -1.89 0.00 0.00 -1.58 0.00 0.00 42.46 38.88 3kwc s ILE 68 CO 0.02 -0.02 0.00 0.00 -1.23 0.00 0.00 174.94 173.71 3kwc n GLN 69 N 4.62 0.69 -2.08 2.79 6.02 0.02 -0.69 117.38 128.75 3kwc n GLN 69 Ca -0.13 0.00 -0.41 0.00 -0.01 0.00 0.00 57.00 56.45 3kwc n GLN 69 Cb 0.44 0.00 -0.02 0.00 1.02 0.00 0.00 30.24 31.68 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 -1.00 6.73 0.00 1.08 1.11 -1.26 -3.22 116.67 120.10 3kwc s ASP 70 Ca 0.00 2.72 0.00 0.00 0.18 0.00 0.00 52.55 55.45 3kwc s ASP 70 Cb 0.00 -2.65 0.00 0.00 1.07 0.00 0.00 42.92 41.34 3kwc s ASP 70 CO 0.00 -0.58 0.00 0.61 1.18 0.00 0.00 175.17 176.38 3kwc n GLY 71 N 0.88 0.33 3.77 0.21 0.00 -1.06 -0.70 105.19 108.63 3kwc n GLY 71 Ca 0.01 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.63 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 -1.71 2.87 -0.08 1.61 1.01 -1.20 -4.39 120.40 118.50 3kwc s VAL 72 Ca 0.00 0.80 0.04 0.00 0.00 0.00 0.00 61.98 62.82 3kwc s VAL 72 Cb 0.00 -3.48 -0.01 0.00 0.00 0.00 0.00 36.38 32.89 3kwc s VAL 72 CO 0.00 0.14 -0.21 -0.69 0.00 0.00 0.00 175.10 174.33 3kwc s VAL 73 N -1.26 2.33 -0.09 2.92 1.01 -1.00 -1.20 120.40 123.12 3kwc s VAL 73 Ca 0.53 -0.95 0.02 0.00 0.00 0.00 0.00 61.98 61.58 3kwc s VAL 73 Cb -0.36 -1.89 0.02 0.00 0.00 0.00 0.00 36.38 34.14 3kwc s VAL 73 CO 0.47 0.56 -0.12 -0.63 0.00 0.00 0.00 175.10 175.38 3kwc s ILE 74 N 0.04 1.21 0.35 2.22 1.01 -0.44 -1.92 121.20 123.67 3kwc s ILE 74 Ca -0.09 -0.49 -0.03 0.00 0.00 0.00 0.00 60.65 60.05 3kwc s ILE 74 Cb -0.15 -1.13 0.01 0.00 0.01 0.00 0.00 42.46 41.20 3kwc s ILE 74 CO 0.05 0.38 0.49 -2.28 0.00 0.00 0.00 174.94 173.59 3kwc s HIS 75 N 0.95 1.02 -0.08 3.97 2.46 -1.06 -1.21 115.29 121.34 3kwc s HIS 75 Ca -0.09 -1.28 -0.24 0.00 0.47 0.00 0.00 55.06 53.92 3kwc s HIS 75 Cb -0.15 -0.04 0.05 0.00 -0.13 0.00 0.00 32.58 32.32 3kwc s HIS 75 CO 0.00 -1.17 0.56 0.20 -2.47 0.00 0.00 174.74 171.87 3kwc s GLY 76 N -3.23 -0.44 0.40 1.59 0.00 -1.26 -0.30 107.32 104.08 3kwc s GLY 76 Ca 0.30 1.15 -0.26 0.00 0.00 0.00 0.00 44.72 45.91 3kwc s GLY 76 CO 0.20 0.86 1.26 1.08 0.00 0.00 0.00 173.10 176.51 3kwc s LEU 77 N -0.85 4.21 0.13 0.66 1.43 -0.74 -1.77 118.68 121.75 3kwc s LEU 77 Ca -0.09 2.57 -0.22 0.00 -1.03 0.00 0.00 54.13 55.36 3kwc s LEU 77 Cb -0.02 -3.93 -0.02 0.00 0.03 0.00 0.00 46.19 42.25 3kwc s LEU 77 CO 0.06 -0.80 1.67 -0.61 0.23 0.00 0.00 176.35 176.91 3kwc h GLN 78 N 2.68 -0.14 -6.28 1.70 -0.00 -1.93 -3.12 115.11 108.03 3kwc h GLN 78 Ca -0.49 0.01 -0.56 0.00 -0.00 0.00 0.00 58.65 57.60 3kwc h GLN 78 Cb 1.24 0.03 -0.03 0.00 0.00 0.00 0.00 27.48 28.72 3kwc h GLN 78 CO 0.63 -0.10 -0.22 -0.65 0.00 0.00 0.00 178.83 178.49 3kwc s GLN 79 N -6.16 3.72 0.00 1.69 -1.52 -1.26 -4.54 119.66 111.59 3kwc s GLN 79 Ca -0.14 0.10 0.00 0.00 -1.95 0.00 0.00 55.36 53.37 3kwc s GLN 79 Cb 0.10 -2.78 0.00 0.00 -0.22 0.00 0.00 33.01 30.11 3kwc s GLN 79 CO 0.68 0.41 0.00 0.41 -0.25 0.00 0.00 175.29 176.54 3kwc n GLY 80 N 0.09 1.71 3.19 3.09 0.00 -1.26 -4.77 105.19 107.24 3kwc n GLY 80 Ca -0.02 -1.14 -0.15 0.00 0.00 0.00 0.00 46.02 44.72 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 -3.10 0.87 0.23 1.61 1.81 -1.26 -4.44 118.95 114.68 3kwc s ARG 81 Ca 0.00 -1.18 0.10 0.00 -1.72 0.00 0.00 55.73 52.94 3kwc s ARG 81 Cb 0.00 -0.58 -0.05 0.00 -0.45 0.00 0.00 34.95 33.87 3kwc s ARG 81 CO 0.00 0.09 -0.13 0.08 -0.68 0.00 0.00 175.30 174.66 3kwc s VAL 82 N -2.42 2.88 -0.22 3.52 1.01 0.07 -4.94 120.40 120.30 3kwc s VAL 82 Ca 0.06 -2.02 -0.19 0.00 0.00 0.00 0.00 61.98 59.84 3kwc s VAL 82 Cb -0.03 -2.47 -0.03 0.00 0.00 0.00 0.00 36.38 33.85 3kwc s VAL 82 CO 0.00 -0.26 0.54 -0.63 0.00 0.00 0.00 175.10 174.75 3kwc s ILE 83 N -2.09 5.07 0.93 2.22 -1.09 -1.26 -1.23 121.20 123.75 3kwc s ILE 83 Ca 0.27 0.98 -0.14 0.00 -2.23 0.00 0.00 60.65 59.53 3kwc s ILE 83 Cb -0.07 -3.86 0.16 0.00 -1.58 0.00 0.00 42.46 37.11 3kwc s ILE 83 CO 0.15 0.13 1.21 -0.83 -1.23 0.00 0.00 174.94 174.37 3kwc s GLY 84 N 1.30 1.65 0.03 6.18 0.00 -0.40 -4.97 107.32 111.12 3kwc s GLY 84 Ca 0.24 -0.84 0.23 0.00 0.00 0.00 0.00 44.72 44.35 3kwc s GLY 84 CO 0.09 -0.20 1.73 1.22 0.00 0.00 0.00 173.10 175.95 3kwc n ASP 85 N -3.73 0.10 -0.26 1.64 10.43 -1.26 -2.35 116.55 121.10 3kwc n ASP 85 Ca 0.11 0.51 0.14 0.00 2.57 0.00 0.00 54.79 58.12 3kwc n ASP 85 Cb 0.60 -0.54 0.53 0.00 1.84 0.00 0.00 41.12 43.55 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 -1.60 0.94 0.00 -2.24 5.75 -1.26 -4.94 116.55 113.20 3kwc n ASP 86 Ca 0.05 -1.00 0.00 0.00 -0.01 0.00 0.00 54.79 53.83 3kwc n ASP 86 Cb 0.28 0.03 0.00 0.00 -1.03 0.00 0.00 41.12 40.39 3kwc n ASP 86 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3kwc n GLY 87 N 1.25 0.46 3.60 6.12 0.00 -0.99 -5.07 105.19 110.56 3kwc n GLY 87 Ca 0.16 -0.96 -0.23 0.00 0.00 0.00 0.00 46.02 44.99 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 -1.84 2.15 0.03 1.61 -0.21 -1.26 -4.93 119.66 115.21 3kwc s GLN 88 Ca 0.00 -1.48 -0.18 0.00 0.02 0.00 0.00 55.36 53.72 3kwc s GLN 88 Cb 0.00 -2.08 -0.06 0.00 1.00 0.00 0.00 33.01 31.87 3kwc s GLN 88 CO 0.00 0.36 0.50 -1.21 -2.12 0.00 0.00 175.29 172.82 3kwc s GLU 89 N -3.58 4.10 0.04 2.91 2.02 -1.26 -1.28 118.70 121.65 3kwc s GLU 89 Ca 0.31 0.59 0.02 0.00 0.02 0.00 0.00 54.97 55.91 3kwc s GLU 89 Cb -0.06 -3.25 -0.02 0.00 0.10 0.00 0.00 34.13 30.90 3kwc s GLU 89 CO 0.19 0.62 -0.07 0.71 0.02 0.00 0.00 175.26 176.72 3kwc s TYR 90 N -0.94 0.59 0.05 1.61 1.51 -0.37 -4.54 117.35 115.26 3kwc s TYR 90 Ca 0.27 -0.51 -0.17 0.00 -1.01 0.00 0.00 57.07 55.65 3kwc s TYR 90 Cb -0.18 -0.36 -0.19 0.00 -0.11 0.00 0.00 41.96 41.12 3kwc s TYR 90 CO 0.16 -0.11 1.22 1.03 -1.11 0.00 0.00 175.55 176.74 3kwc h SER 91 N 4.53 0.67 -3.22 2.29 0.87 -1.42 0.24 113.55 117.50 3kwc h SER 91 Ca -0.35 -0.66 -0.48 0.00 -1.23 0.00 0.00 61.79 59.06 3kwc h SER 91 Cb 1.20 -0.20 -0.37 0.00 -0.44 0.00 0.00 62.40 62.59 3kwc h SER 91 CO 0.41 1.22 -0.79 -0.69 -0.53 0.00 0.00 176.83 176.45 3kwc s VAL 92 N -3.60 0.72 -0.25 2.23 1.01 -1.19 -1.33 120.40 118.00 3kwc s VAL 92 Ca -0.12 -0.10 -0.02 0.00 0.00 0.00 0.00 61.98 61.74 3kwc s VAL 92 Cb 0.06 -0.80 0.02 0.00 0.00 0.00 0.00 36.38 35.66 3kwc s VAL 92 CO 0.84 0.32 -0.05 0.86 0.00 0.00 0.00 175.10 177.07 3kwc s TRP 93 N 1.80 3.07 -0.17 5.22 -0.11 -0.04 -0.04 118.94 128.66 3kwc s TRP 93 Ca 0.04 -1.49 -0.01 0.00 1.22 0.00 0.00 56.10 55.87 3kwc s TRP 93 Cb -0.12 -2.07 -0.00 0.00 -1.50 0.00 0.00 33.47 29.77 3kwc s TRP 93 CO -0.07 -0.71 -0.12 0.42 -4.62 0.00 0.00 176.95 171.85 3kwc s ILE 94 N 1.34 2.85 0.00 5.86 1.01 0.66 -0.59 121.20 132.33 3kwc s ILE 94 Ca 0.01 -0.69 0.00 0.00 0.00 0.00 0.00 60.65 59.96 3kwc s ILE 94 Cb -0.17 -2.24 0.00 0.00 0.01 0.00 0.00 42.46 40.07 3kwc s ILE 94 CO -0.04 0.49 0.00 0.61 0.00 0.00 0.00 174.94 176.00 3kwc n GLY 95 N 4.28 -1.36 3.85 6.18 0.00 -0.03 -1.29 105.19 116.82 3kwc n GLY 95 Ca -0.19 -1.55 -0.32 0.00 0.00 0.00 0.00 46.02 43.96 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 -1.19 6.60 -1.54 1.61 -0.00 -1.26 -2.81 116.67 118.08 3kwc s ASP 96 Ca 0.00 1.46 -0.11 0.00 -0.00 0.00 0.00 52.55 53.90 3kwc s ASP 96 Cb 0.00 -2.46 0.08 0.00 -0.00 0.00 0.00 42.92 40.54 3kwc s ASP 96 CO 0.00 -0.54 0.79 0.59 -0.00 0.00 0.00 175.17 176.01 3kwc n ASN 97 N -1.49 -3.10 -4.67 0.27 3.02 -0.33 -1.79 115.26 107.17 3kwc n ASN 97 Ca 0.06 -0.90 -0.33 0.00 -0.03 0.00 0.00 54.58 53.38 3kwc n ASN 97 Cb 0.54 -3.41 -0.09 0.00 -0.61 0.00 0.00 39.78 36.21 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 -3.46 4.12 -0.34 2.41 1.01 -1.26 -3.24 120.40 119.63 3kwc s VAL 98 Ca 0.49 -0.56 -0.07 0.00 0.00 0.00 0.00 61.98 61.84 3kwc s VAL 98 Cb -0.25 -2.81 0.03 0.00 0.00 0.00 0.00 36.38 33.35 3kwc s VAL 98 CO 0.87 0.42 0.12 -0.44 0.00 0.00 0.00 175.10 176.07 3kwc s SER 99 N -1.41 5.36 -0.56 3.32 0.01 -0.29 -1.59 113.70 118.55 3kwc s SER 99 Ca 0.18 -1.04 -0.17 0.00 1.31 0.00 0.00 55.95 56.23 3kwc s SER 99 Cb -0.11 -1.90 0.12 0.00 0.21 0.00 0.00 66.02 64.34 3kwc s SER 99 CO 0.08 -0.31 0.56 -0.63 0.41 0.00 0.00 173.24 173.35 3kwc s ILE 100 N 1.45 5.11 0.58 1.44 -1.09 -0.41 -0.72 121.20 127.55 3kwc s ILE 100 Ca -0.00 -1.37 -0.03 0.00 -2.23 0.00 0.00 60.65 57.01 3kwc s ILE 100 Cb -0.19 -4.38 0.12 0.00 -1.58 0.00 0.00 42.46 36.42 3kwc s ILE 100 CO 0.03 -0.95 0.79 0.35 -1.23 0.00 0.00 174.94 173.94 3kwc n THR 101 N 5.32 0.00 -1.67 2.92 -2.24 -0.82 -0.80 114.28 116.99 3kwc n THR 101 Ca -0.12 -1.03 -0.52 0.00 -2.27 0.00 0.00 64.05 60.10 3kwc n THR 101 Cb 0.41 -1.19 -0.06 0.00 -2.10 0.00 0.00 70.33 67.39 3kwc n THR 101 CO 0.00 0.00 0.00 1.41 -0.57 0.00 0.00 175.07 175.91 3kwc n HIS 102 N -2.68 2.02 -1.18 4.78 8.25 -1.26 -2.01 115.22 123.14 3kwc n HIS 102 Ca 0.12 0.39 -0.06 0.00 -0.26 0.00 0.00 57.72 57.91 3kwc n HIS 102 Cb 0.43 -2.49 -0.03 0.00 1.12 0.00 0.00 29.99 29.02 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 4.67 -1.00 -1.92 -0.41 2.81 0.13 -1.10 117.12 120.30 3kwc n MET 103 Ca 0.22 0.61 -0.36 0.00 -1.81 0.00 0.00 57.70 56.36 3kwc n MET 103 Cb 0.21 -4.55 0.04 0.00 -0.71 0.00 0.00 33.22 28.21 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 -1.94 2.52 -0.17 3.04 0.00 -0.85 -4.12 121.76 120.24 3kwc s ALA 104 Ca 0.00 1.10 0.01 0.00 0.00 0.00 0.00 51.96 53.07 3kwc s ALA 104 Cb 0.00 -3.49 0.02 0.00 0.00 0.00 0.00 23.12 19.65 3kwc s ALA 104 CO 0.00 -1.31 -0.18 -1.17 0.00 0.00 0.00 175.76 173.10 3kwc s LEU 105 N -4.11 1.98 -0.28 0.00 2.96 -0.40 -2.39 118.68 116.45 3kwc s LEU 105 Ca 0.79 -0.59 -0.02 0.00 -0.22 0.00 0.00 54.13 54.08 3kwc s LEU 105 Cb -0.33 -1.38 0.03 0.00 0.50 0.00 0.00 46.19 45.01 3kwc s LEU 105 CO 0.36 -0.02 -0.02 -0.63 -1.32 0.00 0.00 176.35 174.72 3kwc s ILE 106 N 1.34 3.05 -0.17 6.68 -1.09 -0.81 -1.34 121.20 128.87 3kwc s ILE 106 Ca 0.05 -1.13 0.01 0.00 -2.23 0.00 0.00 60.65 57.34 3kwc s ILE 106 Cb -0.13 -2.63 0.02 0.00 -1.58 0.00 0.00 42.46 38.14 3kwc s ILE 106 CO -0.12 0.06 -0.16 -2.28 -1.23 0.00 0.00 174.94 171.21 3kwc s HIS 107 N 1.32 2.42 0.61 3.97 2.46 0.40 -2.57 115.29 123.90 3kwc s HIS 107 Ca -0.02 -1.42 -0.18 0.00 0.47 0.00 0.00 55.06 53.91 3kwc s HIS 107 Cb -0.18 -1.71 -0.02 0.00 -0.13 0.00 0.00 32.58 30.53 3kwc s HIS 107 CO -0.02 -0.73 1.18 0.20 -2.47 0.00 0.00 174.74 172.90 3kwc s GLY 108 N 1.40 2.57 -0.16 1.59 0.00 0.58 -3.16 107.32 110.15 3kwc s GLY 108 Ca 0.04 0.89 -0.29 0.00 0.00 0.00 0.00 44.72 45.35 3kwc s GLY 108 CO -0.11 1.27 1.68 -4.14 0.00 0.00 0.00 173.10 171.79 3kwc s PRO 109 N -3.52 3.88 -0.05 2.90 0.02 -1.26 -1.79 135.00 135.19 3kwc s PRO 109 Ca 0.74 1.87 -0.02 0.00 0.02 0.00 0.00 61.00 63.62 3kwc s PRO 109 Cb -0.27 -4.05 0.03 0.00 0.02 0.00 0.00 34.50 30.23 3kwc s PRO 109 CO 0.35 -1.20 0.10 0.00 -0.33 0.00 0.00 177.00 175.92 3kwc s ALA 110 N 5.02 -0.16 -0.11 -1.55 0.00 -0.44 -2.07 121.76 122.45 3kwc s ALA 110 Ca 0.74 0.49 0.03 0.00 0.00 0.00 0.00 51.96 53.22 3kwc s ALA 110 Cb -0.28 -0.33 0.01 0.00 0.00 0.00 0.00 23.12 22.51 3kwc s ALA 110 CO 0.30 -0.12 -0.20 -0.47 0.00 0.00 0.00 175.76 175.27 3kwc s TYR 111 N 0.91 2.28 -0.20 0.00 6.14 -0.98 -0.86 117.35 124.64 3kwc s TYR 111 Ca -0.07 -1.03 -0.00 0.00 0.64 0.00 0.00 57.07 56.61 3kwc s TYR 111 Cb -0.10 -1.57 0.05 0.00 0.42 0.00 0.00 41.96 40.76 3kwc s TYR 111 CO -0.04 -0.47 -0.05 0.42 0.64 0.00 0.00 175.55 176.06 3kwc s ILE 112 N 0.68 1.22 1.05 3.14 1.01 0.24 -1.02 121.20 127.52 3kwc s ILE 112 Ca -0.12 -0.85 -0.14 0.00 0.00 0.00 0.00 60.65 59.54 3kwc s ILE 112 Cb -0.16 -1.46 0.22 0.00 0.01 0.00 0.00 42.46 41.06 3kwc s ILE 112 CO 0.03 0.01 1.10 -0.83 0.00 0.00 0.00 174.94 175.24 3kwc s GLY 113 N 1.56 1.57 0.36 6.18 0.00 -0.67 -0.85 107.32 115.47 3kwc s GLY 113 Ca -0.02 -0.52 -0.28 0.00 0.00 0.00 0.00 44.72 43.89 3kwc s GLY 113 CO -0.07 0.16 1.47 1.22 0.00 0.00 0.00 173.10 175.88 3kwc n ASP 114 N -4.33 3.65 0.00 1.64 10.43 -1.26 -3.26 116.55 123.42 3kwc n ASP 114 Ca 0.07 1.21 0.00 0.00 2.57 0.00 0.00 54.79 58.64 3kwc n ASP 114 Cb 0.58 -1.60 0.00 0.00 1.84 0.00 0.00 41.12 41.94 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 0.75 0.78 3.77 0.44 0.00 -0.74 -0.98 105.19 109.21 3kwc n GLY 115 Ca 0.03 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.67 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 -1.46 3.02 -0.28 0.00 5.36 -0.39 -1.13 117.98 123.11 3kwc s PHE 117 Ca 0.53 -0.54 0.02 0.00 -0.96 0.00 0.00 56.93 55.98 3kwc s PHE 117 Cb -0.26 -2.08 0.06 0.00 -0.34 0.00 0.00 43.02 40.40 3kwc s PHE 117 CO 0.33 -0.29 -0.07 0.42 -1.46 0.00 0.00 175.22 174.14 3kwc s ILE 118 N 1.07 2.36 1.17 3.12 -1.09 0.10 -0.38 121.20 127.54 3kwc s ILE 118 Ca 0.02 -1.64 -0.19 0.00 -2.23 0.00 0.00 60.65 56.61 3kwc s ILE 118 Cb -0.14 -2.41 0.28 0.00 -1.58 0.00 0.00 42.46 38.61 3kwc s ILE 118 CO 0.01 -0.09 1.19 -0.83 -1.23 0.00 0.00 174.94 173.99 3kwc s GLY 119 N 1.13 1.66 0.17 6.18 0.00 0.38 -1.94 107.32 114.91 3kwc s GLY 119 Ca -0.07 -1.15 -0.32 0.00 0.00 0.00 0.00 44.72 43.18 3kwc s GLY 119 CO -0.04 -0.24 1.74 0.69 0.00 0.00 0.00 173.10 175.24 3kwc n PHE 120 N -4.56 2.65 -2.14 1.90 0.99 -1.26 -2.60 117.46 112.44 3kwc n PHE 120 Ca 0.16 0.02 -0.16 0.00 -0.00 0.00 0.00 57.45 57.46 3kwc n PHE 120 Cb 0.60 -2.67 -0.02 0.00 -1.00 0.00 0.00 39.48 36.38 3kwc n PHE 120 CO 0.00 0.00 0.00 -2.13 -0.00 0.00 0.00 176.76 174.63 3kwc n ARG 121 N 4.38 -1.25 -4.02 -1.08 0.63 -0.26 -0.71 116.66 114.35 3kwc n ARG 121 Ca 0.17 0.84 -0.28 0.00 -0.92 0.00 0.00 57.85 57.66 3kwc n ARG 121 Cb 0.35 -5.19 -0.05 0.00 0.45 0.00 0.00 32.46 28.01 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 -2.38 5.82 -0.07 6.15 0.01 -1.07 -4.19 113.70 117.96 3kwc s SER 122 Ca 0.00 0.02 0.03 0.00 1.31 0.00 0.00 55.95 57.31 3kwc s SER 122 Cb 0.00 -1.62 0.01 0.00 0.21 0.00 0.00 66.02 64.61 3kwc s SER 122 CO 0.00 0.10 -0.17 -0.89 0.41 0.00 0.00 173.24 172.69 3kwc s THR 123 N -1.64 1.53 -0.21 1.44 2.01 -0.02 -1.27 115.64 117.48 3kwc s THR 123 Ca 0.32 -0.72 -0.01 0.00 0.31 0.00 0.00 61.69 61.58 3kwc s THR 123 Cb -0.11 -1.35 0.01 0.00 0.01 0.00 0.00 72.50 71.06 3kwc s THR 123 CO 0.25 0.44 -0.11 -0.69 -0.69 0.00 0.00 174.62 173.82 3kwc s VAL 124 N 0.44 2.73 -0.03 3.82 1.01 -0.45 -0.71 120.40 127.21 3kwc s VAL 124 Ca -0.14 -0.78 -0.01 0.00 0.00 0.00 0.00 61.98 61.04 3kwc s VAL 124 Cb -0.16 -2.24 0.03 0.00 0.00 0.00 0.00 36.38 34.01 3kwc s VAL 124 CO 0.05 0.43 0.05 0.12 0.00 0.00 0.00 175.10 175.75 3kwc s PHE 125 N 1.37 0.01 -1.29 5.22 5.36 -0.67 -0.46 117.98 127.52 3kwc s PHE 125 Ca 0.04 0.21 -0.02 0.00 -0.96 0.00 0.00 56.93 56.21 3kwc s PHE 125 Cb -0.14 -0.29 -0.00 0.00 -0.34 0.00 0.00 43.02 42.24 3kwc s PHE 125 CO -0.08 -0.13 0.69 -1.71 -1.46 0.00 0.00 175.22 172.54 3kwc n ASN 126 N 4.54 -1.57 -3.76 6.13 5.15 -1.02 -2.39 115.26 122.34 3kwc n ASN 126 Ca -0.20 -0.84 -0.11 0.00 -0.60 0.00 0.00 54.58 52.83 3kwc n ASN 126 Cb 0.50 -3.98 -0.07 0.00 -0.53 0.00 0.00 39.78 35.70 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 -0.60 -0.17 5.20 0.00 -0.88 -2.11 121.76 119.54 3kwc s ALA 127 Ca 0.05 -0.16 0.01 0.00 0.00 0.00 0.00 51.96 51.87 3kwc s ALA 127 Cb -0.01 0.42 0.02 0.00 0.00 0.00 0.00 23.12 23.54 3kwc s ALA 127 CO 0.82 -0.47 -0.21 0.50 0.00 0.00 0.00 175.76 176.40 3kwc s ARG 128 N -3.05 2.99 -0.28 0.00 3.52 -0.76 -2.32 118.95 119.05 3kwc s ARG 128 Ca -0.01 -0.84 -0.05 0.00 -0.13 0.00 0.00 55.73 54.70 3kwc s ARG 128 Cb 0.01 -2.52 0.02 0.00 -1.56 0.00 0.00 34.95 30.90 3kwc s ARG 128 CO -0.07 -0.15 0.03 0.08 -0.81 0.00 0.00 175.30 174.39 3kwc s VAL 129 N 1.14 3.52 0.87 7.11 1.01 -0.19 -1.03 120.40 132.84 3kwc s VAL 129 Ca 0.01 -0.88 -0.10 0.00 0.00 0.00 0.00 61.98 61.01 3kwc s VAL 129 Cb -0.14 -2.83 0.12 0.00 0.00 0.00 0.00 36.38 33.53 3kwc s VAL 129 CO -0.09 0.09 1.14 -0.83 0.00 0.00 0.00 175.10 175.40 3kwc s GLY 130 N 1.42 1.71 0.20 4.51 0.00 -0.54 -1.67 107.32 112.95 3kwc s GLY 130 Ca 0.01 0.53 -0.32 0.00 0.00 0.00 0.00 44.72 44.94 3kwc s GLY 130 CO -0.00 0.93 1.19 0.00 0.00 0.00 0.00 173.10 175.22 3kwc n ALA 131 N -4.02 -0.30 -1.68 3.20 0.00 -1.26 -3.16 120.51 113.29 3kwc n ALA 131 Ca 0.11 0.44 -0.08 0.00 0.00 0.00 0.00 53.44 53.92 3kwc n ALA 131 Cb 0.52 -2.08 -0.02 0.00 0.00 0.00 0.00 19.45 17.87 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 1.93 0.52 3.83 0.00 0.00 -0.15 -1.37 105.19 109.96 3kwc n GLY 132 Ca 0.14 -0.62 -0.33 0.00 0.00 0.00 0.00 46.02 45.20 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 -2.00 2.16 -0.19 0.00 1.01 -0.58 -1.26 120.40 119.53 3kwc s VAL 134 Ca 0.56 -2.40 -0.14 0.00 0.00 0.00 0.00 61.98 60.00 3kwc s VAL 134 Cb -0.11 -2.58 -0.04 0.00 0.00 0.00 0.00 36.38 33.65 3kwc s VAL 134 CO 0.16 -0.64 0.30 -0.69 0.00 0.00 0.00 175.10 174.23 3kwc s VAL 135 N 0.79 5.28 0.00 2.92 1.01 0.49 -1.89 120.40 128.99 3kwc s VAL 135 Ca 0.12 0.52 0.00 0.00 0.00 0.00 0.00 61.98 62.61 3kwc s VAL 135 Cb -0.20 -3.63 0.00 0.00 0.00 0.00 0.00 36.38 32.55 3kwc s VAL 135 CO -0.08 0.33 0.00 0.23 0.00 0.00 0.00 175.10 175.58 3kwc n MET 136 N 4.06 3.50 -3.84 2.72 2.81 -0.62 -0.47 117.12 125.28 3kwc n MET 136 Ca -0.11 0.00 -0.35 0.00 -1.81 0.00 0.00 57.70 55.42 3kwc n MET 136 Cb 0.52 0.00 -0.05 0.00 -0.71 0.00 0.00 33.22 32.97 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 2.19 3.50 -1.38 0.03 -1.94 -1.26 -3.27 119.30 117.17 3kwc s MET 137 Ca 0.00 -0.15 -0.08 0.00 -1.71 0.00 0.00 55.69 53.75 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 0.71 1.02 0.72 -0.01 0.00 0.00 175.02 177.46 3kwc n HIS 138 N 1.40 -2.46 -4.07 -0.03 8.25 0.11 -0.08 115.22 118.35 3kwc n HIS 138 Ca -0.14 0.95 -0.35 0.00 -0.26 0.00 0.00 57.72 57.91 3kwc n HIS 138 Cb 0.53 -4.64 -0.07 0.00 1.12 0.00 0.00 29.99 26.93 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 -3.37 4.97 -0.19 1.59 1.01 -1.26 -3.09 120.40 120.05 3kwc s VAL 139 Ca 0.42 -0.13 -0.03 0.00 0.00 0.00 0.00 61.98 62.24 3kwc s VAL 139 Cb -0.20 -3.20 -0.01 0.00 0.00 0.00 0.00 36.38 32.97 3kwc s VAL 139 CO 0.77 0.50 -0.06 -0.22 0.00 0.00 0.00 175.10 176.09 3kwc s LEU 140 N -1.31 2.89 -0.16 3.92 2.96 -0.78 -0.84 118.68 125.36 3kwc s LEU 140 Ca 0.18 -0.35 0.01 0.00 -0.22 0.00 0.00 54.13 53.76 3kwc s LEU 140 Cb -0.12 -1.72 0.01 0.00 0.50 0.00 0.00 46.19 44.86 3kwc s LEU 140 CO 0.08 0.04 -0.19 -0.63 -1.32 0.00 0.00 176.35 174.34 3kwc s ILE 141 N 1.11 2.29 -0.15 6.68 1.01 0.11 -0.44 121.20 131.81 3kwc s ILE 141 Ca 0.01 -0.89 -0.07 0.00 0.00 0.00 0.00 60.65 59.71 3kwc s ILE 141 Cb -0.15 -1.95 0.06 0.00 0.01 0.00 0.00 42.46 40.44 3kwc s ILE 141 CO -0.01 0.53 0.35 -1.58 0.00 0.00 0.00 174.94 174.23 3kwc s GLN 142 N 0.99 0.29 -1.08 2.79 0.74 -0.43 -1.68 119.66 121.28 3kwc s GLN 142 Ca -0.02 0.77 -0.04 0.00 0.05 0.00 0.00 55.36 56.12 3kwc s GLN 142 Cb -0.15 0.02 0.00 0.00 1.10 0.00 0.00 33.01 33.99 3kwc s GLN 142 CO -0.05 -0.20 0.48 -0.25 -0.55 0.00 0.00 175.29 174.72 3kwc n ASP 143 N 4.68 -4.83 -3.92 6.67 10.43 -0.90 -4.17 116.55 124.51 3kwc n ASP 143 Ca -0.18 -0.22 -0.09 0.00 2.57 0.00 0.00 54.79 56.86 3kwc n ASP 143 Cb 0.53 -3.66 -0.07 0.00 1.84 0.00 0.00 41.12 39.76 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 -3.02 0.07 -0.21 2.53 -7.23 -1.22 -4.69 120.40 106.63 3kwc s VAL 144 Ca 0.24 -1.28 -0.02 0.00 -1.81 0.00 0.00 61.98 59.11 3kwc s VAL 144 Cb -0.10 -1.76 -0.00 0.00 0.56 0.00 0.00 36.38 35.08 3kwc s VAL 144 CO 0.29 -0.30 -0.09 -0.70 -0.31 0.00 0.00 175.10 174.00 3kwc s GLU 145 N -3.94 3.28 -0.24 4.82 2.12 -1.26 -1.83 118.70 121.64 3kwc s GLU 145 Ca 0.15 -0.68 -0.18 0.00 0.36 0.00 0.00 54.97 54.62 3kwc s GLU 145 Cb 0.03 -2.88 -0.03 0.00 0.26 0.00 0.00 34.13 31.51 3kwc s GLU 145 CO -0.01 -0.19 0.50 0.42 -0.54 0.00 0.00 175.26 175.44 3kwc s ILE 146 N 1.39 5.10 1.02 -3.70 -1.09 -0.19 -4.77 121.20 118.95 3kwc s ILE 146 Ca 0.05 0.87 -0.11 0.00 -2.23 0.00 0.00 60.65 59.23 3kwc s ILE 146 Cb -0.14 -3.82 0.20 0.00 -1.58 0.00 0.00 42.46 37.13 3kwc s ILE 146 CO -0.05 0.13 1.09 -2.65 -1.23 0.00 0.00 174.94 172.23 3kwc n PRO 147 N 5.23 -1.23 -1.53 2.79 -0.02 -1.26 -1.47 135.00 137.52 3kwc n PRO 147 Ca -0.05 -0.31 -0.34 0.00 -2.02 0.00 0.00 63.50 60.79 3kwc n PRO 147 Cb 0.50 -2.30 0.08 0.00 -0.02 0.00 0.00 33.50 31.76 3kwc n PRO 147 CO 0.00 0.00 0.00 -2.14 1.98 0.00 0.00 175.50 175.34 3kwc s PRO 148 N -4.54 2.32 -1.11 0.52 0.02 -1.26 -3.91 135.00 127.04 3kwc s PRO 148 Ca 0.68 1.66 -0.03 0.00 0.02 0.00 0.00 61.00 63.32 3kwc s PRO 148 Cb -0.24 -1.87 0.00 0.00 0.02 0.00 0.00 34.50 32.42 3kwc s PRO 148 CO 0.61 -1.67 0.43 0.41 -0.33 0.00 0.00 177.00 176.45 3kwc n GLY 149 N 0.15 -0.17 3.65 0.52 0.00 -0.47 -4.96 105.19 103.91 3kwc n GLY 149 Ca 0.13 -0.14 -0.31 0.00 0.00 0.00 0.00 46.02 45.70 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 -5.35 2.48 -0.12 1.61 -0.14 -1.25 -1.57 119.74 115.39 3kwc s LYS 150 Ca 0.21 -0.83 -0.03 0.00 -1.36 0.00 0.00 55.97 53.96 3kwc s LYS 150 Cb -0.09 -2.50 -0.03 0.00 -1.68 0.00 0.00 37.83 33.53 3kwc s LYS 150 CO 0.27 0.55 -0.02 -0.47 -0.76 0.00 0.00 175.35 174.92 3kwc s TYR 151 N -1.21 3.08 -0.24 3.18 5.04 0.09 -1.53 117.35 125.76 3kwc s TYR 151 Ca 0.23 -0.04 0.02 0.00 -2.44 0.00 0.00 57.07 54.84 3kwc s TYR 151 Cb -0.11 -1.87 0.05 0.00 0.35 0.00 0.00 41.96 40.38 3kwc s TYR 151 CO 0.14 0.22 -0.11 0.08 -1.34 0.00 0.00 175.55 174.54 3kwc s VAL 152 N -0.25 1.97 0.66 3.14 1.01 -0.79 -4.16 120.40 121.97 3kwc s VAL 152 Ca 0.05 -1.41 -0.17 0.00 0.00 0.00 0.00 61.98 60.44 3kwc s VAL 152 Cb -0.13 -2.08 -0.02 0.00 0.00 0.00 0.00 36.38 34.16 3kwc s VAL 152 CO 0.02 0.04 1.09 -2.65 0.00 0.00 0.00 175.10 173.60 3kwc n PRO 153 N 4.53 0.85 -1.77 2.72 -0.02 -1.26 -1.60 135.00 138.45 3kwc n PRO 153 Ca -0.14 0.34 -0.41 0.00 -2.02 0.00 0.00 63.50 61.27 3kwc n PRO 153 Cb 0.44 -2.32 0.01 0.00 -0.02 0.00 0.00 33.50 31.60 3kwc n PRO 153 CO 0.00 0.00 0.00 0.43 1.98 0.00 0.00 175.50 177.91 3kwc n SER 154 N -1.50 3.69 0.00 2.55 7.64 -1.26 -3.11 113.62 121.63 3kwc n SER 154 Ca 0.15 1.20 0.00 0.00 1.01 0.00 0.00 58.87 61.22 3kwc n SER 154 Cb 0.48 -1.62 0.00 0.00 -1.01 0.00 0.00 64.21 62.06 3kwc n SER 154 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3kwc n GLY 155 N 0.48 1.73 3.75 0.23 0.00 0.89 -4.91 105.19 107.36 3kwc n GLY 155 Ca 0.02 0.00 -0.41 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 -0.28 4.32 -0.41 1.61 1.00 -1.18 -4.85 119.30 119.51 3kwc s MET 156 Ca 0.00 2.24 -0.05 0.00 0.00 0.00 0.00 55.69 57.88 3kwc s MET 156 Cb 0.00 -3.11 0.10 0.00 0.00 0.00 0.00 34.83 31.82 3kwc s MET 156 CO 0.00 -0.31 0.21 0.08 0.00 0.00 0.00 175.02 175.00 3kwc s VAL 157 N -0.42 3.56 -0.38 -6.03 1.01 -1.26 -1.87 120.40 115.01 3kwc s VAL 157 Ca 0.55 -1.83 -0.12 0.00 0.00 0.00 0.00 61.98 60.59 3kwc s VAL 157 Cb -0.40 -3.33 0.03 0.00 0.00 0.00 0.00 36.38 32.67 3kwc s VAL 157 CO 0.46 -0.61 0.22 -0.63 0.00 0.00 0.00 175.10 174.55 3kwc s ILE 158 N 1.24 4.66 0.00 2.22 1.01 0.41 -4.90 121.20 125.84 3kwc s ILE 158 Ca 0.05 -0.85 0.00 0.00 0.00 0.00 0.00 60.65 59.86 3kwc s ILE 158 Cb -0.23 -3.61 0.00 0.00 0.01 0.00 0.00 42.46 38.63 3kwc s ILE 158 CO -0.02 -0.25 0.49 0.35 0.00 0.00 0.00 174.94 175.50 3kwc n THR 159 N 5.02 0.22 -4.05 2.92 -2.24 -1.26 -1.32 114.28 113.57 3kwc n THR 159 Ca -0.12 -0.43 -0.12 0.00 -2.27 0.00 0.00 64.05 61.11 3kwc n THR 159 Cb 0.46 1.12 -0.12 0.00 -2.10 0.00 0.00 70.33 69.70 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 -0.22 0.43 0.42 4.28 -4.23 -1.26 -4.82 115.64 110.24 3kwc s THR 160 Ca 0.00 -0.96 0.09 0.00 -1.18 0.00 0.00 61.69 59.65 3kwc s THR 160 Cb 0.00 -0.50 0.22 0.00 1.34 0.00 0.00 72.50 73.56 3kwc s THR 160 CO 0.00 -0.36 2.01 -0.61 -0.54 0.00 0.00 174.62 175.11 3kwc h GLN 161 N 4.68 0.32 -0.89 3.99 5.75 -1.93 -2.52 115.11 124.51 3kwc h GLN 161 Ca -0.34 -0.04 0.15 0.00 -0.15 0.00 0.00 58.65 58.26 3kwc h GLN 161 Cb 1.20 -0.06 -0.09 0.00 1.07 0.00 0.00 27.48 29.60 3kwc h GLN 161 CO 0.42 0.31 0.49 1.96 -2.65 0.00 0.00 178.83 179.36 3kwc h GLN 162 N 0.32 0.68 -0.24 1.69 7.50 -1.98 0.12 115.11 123.19 3kwc h GLN 162 Ca 0.08 -0.04 -0.10 0.00 0.50 0.00 0.00 58.65 59.09 3kwc h GLN 162 Cb 0.15 -0.15 -0.00 0.00 0.05 0.00 0.00 27.48 27.52 3kwc h GLN 162 CO -0.00 0.45 -0.23 1.96 -1.50 0.00 0.00 178.83 179.51 3kwc h GLN 163 N 0.70 0.59 -0.09 1.46 4.20 -1.88 -3.22 115.11 116.87 3kwc h GLN 163 Ca 0.48 -0.30 -0.00 0.00 0.06 0.00 0.00 58.65 58.88 3kwc h GLN 163 Cb 0.65 0.01 -0.00 0.00 0.30 0.00 0.00 27.48 28.44 3kwc h GLN 163 CO -0.35 0.89 0.04 0.00 -0.67 0.00 0.00 178.83 178.74 3kwc h ALA 164 N 0.68 1.90 0.00 3.87 0.00 -1.06 -2.45 119.26 122.21 3kwc h ALA 164 Ca 0.04 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.93 3kwc h ALA 164 Cb 0.78 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.53 3kwc h ALA 164 CO 0.06 0.08 0.00 -0.25 0.00 0.00 0.00 179.25 179.14 3kwc n ASP 165 N -4.50 0.00 -1.81 0.00 8.00 0.29 -3.98 116.55 114.55 3kwc n ASP 165 Ca -0.02 0.26 -0.17 0.00 0.71 0.00 0.00 54.79 55.57 3kwc n ASP 165 Cb 0.10 -0.42 0.06 0.00 -0.02 0.00 0.00 41.12 40.84 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 -1.42 3.11 -3.85 -1.24 5.12 -0.92 -5.05 116.66 112.41 3kwc n ARG 166 Ca 0.09 -3.95 -0.34 0.00 -1.93 0.00 0.00 57.85 51.72 3kwc n ARG 166 Cb 0.29 -2.10 -0.05 0.00 -1.16 0.00 0.00 32.46 29.44 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 -3.50 4.37 0.55 0.55 1.43 -1.26 -5.07 118.68 115.76 3kwc s LEU 167 Ca 0.47 0.43 -0.19 0.00 -1.03 0.00 0.00 54.13 53.82 3kwc s LEU 167 Cb 0.40 -2.54 -0.05 0.00 0.03 0.00 0.00 46.19 44.02 3kwc s LEU 167 CO 0.01 0.28 1.10 -2.16 0.23 0.00 0.00 176.35 175.82 3kwc s PRO 168 N -1.73 3.37 0.53 1.29 0.04 -1.26 -4.87 135.00 132.37 3kwc s PRO 168 Ca 0.25 1.50 -0.21 0.00 0.04 0.00 0.00 61.00 62.59 3kwc s PRO 168 Cb -0.13 -2.02 -0.06 0.00 0.04 0.00 0.00 34.50 32.34 3kwc s PRO 168 CO 0.15 -0.82 1.20 -0.80 0.04 0.00 0.00 177.00 176.77 3kwc s ASN 169 N -2.00 5.66 0.71 6.66 0.01 -1.26 -0.73 114.94 123.98 3kwc s ASN 169 Ca 0.70 2.36 -0.16 0.00 -0.71 0.00 0.00 52.86 55.05 3kwc s ASN 169 Cb -0.21 -2.60 0.02 0.00 0.41 0.00 0.00 41.25 38.87 3kwc s ASN 169 CO 0.28 -1.27 1.20 1.33 -1.51 0.00 0.00 177.10 177.13 3kwc n VAL 170 N -1.07 3.70 -3.69 1.60 0.24 -0.61 -4.53 118.33 113.97 3kwc n VAL 170 Ca 0.11 -0.39 -0.23 0.00 -2.04 0.00 0.00 64.34 61.78 3kwc n VAL 170 Cb 0.49 -1.33 -0.02 0.00 -1.47 0.00 0.00 33.84 31.51 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 -3.57 3.47 0.34 7.34 0.41 -1.26 -5.01 118.70 120.42 3kwc s GLU 171 Ca 0.78 -0.52 0.08 0.00 -0.41 0.00 0.00 54.97 54.90 3kwc s GLU 171 Cb -0.35 -2.79 0.79 0.00 -1.78 0.00 0.00 34.13 30.00 3kwc s GLU 171 CO 0.45 0.32 1.83 0.93 -0.49 0.00 0.00 175.26 178.30 3kwc h GLU 172 N 1.17 0.70 -0.20 1.61 4.39 -2.01 -0.70 114.58 119.54 3kwc h GLU 172 Ca -0.50 -0.04 -0.02 0.00 0.34 0.00 0.00 59.36 59.13 3kwc h GLU 172 Cb 1.22 -0.16 -0.01 0.00 -0.10 0.00 0.00 28.75 29.70 3kwc h GLU 172 CO 0.62 0.47 0.03 0.66 -1.16 0.00 0.00 179.01 179.63 3kwc h SER 173 N 0.73 0.25 -0.10 1.42 4.64 -2.00 -2.30 113.55 116.19 3kwc h SER 173 Ca 0.50 -0.02 -0.11 0.00 -0.47 0.00 0.00 61.79 61.69 3kwc h SER 173 Cb 0.81 -0.06 -0.01 0.00 -0.31 0.00 0.00 62.40 62.82 3kwc h SER 173 CO -0.27 0.27 -0.29 0.44 -0.87 0.00 0.00 176.83 176.12 3kwc h ASP 174 N 0.28 0.58 -0.15 4.97 3.32 -1.52 -2.06 116.42 121.84 3kwc h ASP 174 Ca 0.07 -0.22 -0.01 0.00 0.02 0.00 0.00 57.03 56.89 3kwc h ASP 174 Cb 0.14 -0.16 -0.01 0.00 0.22 0.00 0.00 39.33 39.52 3kwc h ASP 174 CO -0.00 0.85 0.04 0.40 -1.72 0.00 0.00 179.24 178.81 3kwc h ILE 175 N 0.49 1.20 -0.53 0.35 2.04 -1.30 -1.67 117.51 118.09 3kwc h ILE 175 Ca 0.06 -0.61 -0.07 0.00 1.00 0.00 0.00 64.86 65.24 3kwc h ILE 175 Cb 0.76 1.32 -0.02 0.00 -0.74 0.00 0.00 36.82 38.14 3kwc h ILE 175 CO 0.06 0.18 0.06 0.45 0.00 0.00 0.00 178.15 178.90 3kwc h HIS 176 N 0.05 0.90 -0.13 1.37 3.86 -1.45 -1.62 115.15 118.12 3kwc h HIS 176 Ca 0.05 -0.11 -0.00 0.00 -1.16 0.00 0.00 60.37 59.14 3kwc h HIS 176 Cb 0.25 -0.25 -0.01 0.00 1.06 0.00 0.00 27.41 28.46 3kwc h HIS 176 CO 0.01 0.79 0.07 0.35 0.86 0.00 0.00 177.93 180.01 3kwc h PHE 177 N 0.80 0.17 0.05 2.45 3.57 -1.35 -1.88 116.94 120.75 3kwc h PHE 177 Ca 0.16 -0.00 0.01 0.00 3.53 0.00 0.00 57.97 61.67 3kwc h PHE 177 Cb 0.40 -0.05 -0.02 0.00 2.79 0.00 0.00 35.95 39.07 3kwc h PHE 177 CO 0.02 0.18 -0.10 0.00 -2.23 0.00 0.00 178.31 176.18 3kwc h ALA 178 N 0.98 -0.15 -0.35 2.41 0.00 -1.06 -2.85 119.26 118.23 3kwc h ALA 178 Ca 0.04 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.92 3kwc h ALA 178 Cb 0.06 0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.00 3kwc h ALA 178 CO -0.01 -0.61 0.09 1.96 0.00 0.00 0.00 179.25 180.68 3kwc h GLN 179 N -0.20 0.50 -0.31 0.00 1.08 -1.30 -2.45 115.11 112.43 3kwc h GLN 179 Ca 0.02 -0.08 0.04 0.00 -1.45 0.00 0.00 58.65 57.19 3kwc h GLN 179 Cb 0.22 -0.09 -0.04 0.00 -0.05 0.00 0.00 27.48 27.52 3kwc h GLN 179 CO -0.07 0.46 0.06 1.25 -0.95 0.00 0.00 178.83 179.58 3kwc h HIS 180 N 0.50 0.11 -0.83 2.96 2.76 -1.17 -0.39 115.15 119.08 3kwc h HIS 180 Ca 0.12 0.02 -0.03 0.00 -2.20 0.00 0.00 60.37 58.28 3kwc h HIS 180 Cb 0.18 -0.00 -0.04 0.00 1.55 0.00 0.00 27.41 29.10 3kwc h HIS 180 CO 0.01 0.02 0.42 0.28 -1.30 0.00 0.00 177.93 177.36 3kwc h VAL 181 N 0.18 1.25 0.05 5.26 2.07 -1.22 0.13 116.25 123.96 3kwc h VAL 181 Ca 0.15 -0.68 0.00 0.00 0.82 0.00 0.00 66.70 66.99 3kwc h VAL 181 Cb 0.16 0.17 -0.01 0.00 -1.52 0.00 0.00 31.29 30.09 3kwc h VAL 181 CO -0.19 0.30 -0.06 0.58 0.02 0.00 0.00 177.57 178.22 3kwc h VAL 182 N 1.17 0.87 -0.62 2.57 2.07 -1.23 -2.46 116.25 118.61 3kwc h VAL 182 Ca 0.29 0.00 0.06 0.00 0.82 0.00 0.00 66.70 67.86 3kwc h VAL 182 Cb 0.09 0.87 -0.05 0.00 -1.52 0.00 0.00 31.29 30.67 3kwc h VAL 182 CO -0.04 0.00 0.34 1.23 0.02 0.00 0.00 177.57 179.12 3kwc h GLY 183 N -0.12 0.90 0.55 2.17 0.00 -0.57 -1.95 103.07 104.05 3kwc h GLY 183 Ca 0.01 -0.23 0.06 0.00 0.00 0.00 0.00 47.33 47.16 3kwc h GLY 183 CO -0.02 0.14 0.10 -2.22 0.00 0.00 0.00 176.54 174.54 3kwc h ILE 184 N 0.63 0.82 -0.05 2.60 1.08 -0.68 -2.38 117.51 119.53 3kwc h ILE 184 Ca 0.28 -0.08 -0.13 0.00 -0.39 0.00 0.00 64.86 64.54 3kwc h ILE 184 Cb 0.17 0.56 -0.01 0.00 -3.07 0.00 0.00 36.82 34.46 3kwc h ILE 184 CO -0.18 0.04 -0.54 0.78 -0.69 0.00 0.00 178.15 177.57 3kwc h ASN 185 N 0.24 0.17 -0.47 1.72 2.35 -1.08 -1.29 115.58 117.22 3kwc h ASN 185 Ca 0.19 -0.09 0.02 0.00 -0.55 0.00 0.00 56.30 55.87 3kwc h ASN 185 Cb 0.22 -0.05 -0.03 0.00 0.05 0.00 0.00 38.32 38.51 3kwc h ASN 185 CO -0.23 0.67 0.29 -0.33 -1.65 0.00 0.00 177.43 176.18 3kwc h GLU 186 N 0.12 0.57 -0.58 0.81 5.08 -1.24 -1.07 114.58 118.27 3kwc h GLU 186 Ca 0.00 -0.03 -0.08 0.00 -1.00 0.00 0.00 59.36 58.25 3kwc h GLU 186 Cb 0.99 -0.13 -0.02 0.00 0.50 0.00 0.00 28.75 30.08 3kwc h GLU 186 CO 0.08 0.38 0.04 0.00 -1.00 0.00 0.00 179.01 178.51 3kwc h ALA 187 N 1.20 0.98 -0.23 3.43 0.00 -0.96 -2.30 119.26 121.37 3kwc h ALA 187 Ca 0.18 -0.28 0.00 0.00 0.00 0.00 0.00 54.91 54.81 3kwc h ALA 187 Cb -0.02 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.54 3kwc h ALA 187 CO -0.07 0.63 0.14 -0.07 0.00 0.00 0.00 179.25 179.89 3kwc h LEU 188 N 0.91 0.27 -0.09 0.00 3.38 -1.21 -2.70 115.31 115.87 3kwc h LEU 188 Ca 0.17 -0.03 0.04 0.00 0.09 0.00 0.00 57.88 58.15 3kwc h LEU 188 Cb 0.47 -0.07 -0.06 0.00 0.09 0.00 0.00 40.66 41.10 3kwc h LEU 188 CO 0.02 0.22 -0.30 0.25 0.09 0.00 0.00 178.44 178.72 3kwc h LEU 189 N 0.29 -0.92 -1.34 1.67 7.12 -0.94 -1.46 115.31 119.73 3kwc h LEU 189 Ca 0.08 0.13 -0.06 0.00 0.13 0.00 0.00 57.88 58.16 3kwc h LEU 189 Cb -0.00 0.39 -0.01 0.00 -0.53 0.00 0.00 40.66 40.51 3kwc h LEU 189 CO -0.02 -0.35 -0.29 0.77 -0.13 0.00 0.00 178.44 178.43 3kwc h SER 190 N -0.40 0.00 -0.28 1.25 4.64 -1.45 -2.27 113.55 115.05 3kwc h SER 190 Ca 0.09 0.00 -0.05 0.00 -0.47 0.00 0.00 61.79 61.36 3kwc h SER 190 Cb 0.53 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.61 3kwc h SER 190 CO -0.31 0.29 -0.01 1.23 -0.87 0.00 0.00 176.83 177.15 3kwc h GLY 191 N 1.40 0.55 1.45 -0.77 0.00 -1.10 -0.45 103.07 104.16 3kwc h GLY 191 Ca -0.00 -0.41 -0.07 0.00 0.00 0.00 0.00 47.33 46.85 3kwc h GLY 191 CO 0.04 0.38 -0.02 -0.97 0.00 0.00 0.00 176.54 175.97 3kwc h TYR 192 N 0.29 0.71 -0.39 5.60 0.05 -1.02 -2.13 116.97 120.09 3kwc h TYR 192 Ca 0.08 -0.09 -0.14 0.00 0.05 0.00 0.00 58.73 58.63 3kwc h TYR 192 Cb 0.45 -0.20 -0.01 0.00 1.01 0.00 0.00 36.73 37.98 3kwc h TYR 192 CO 0.04 0.68 -0.32 1.96 -1.05 0.00 0.00 178.16 179.47 3kwc h GLN 193 N 0.63 0.86 -0.99 4.88 4.20 -1.40 -3.12 115.11 120.18 3kwc h GLN 193 Ca 0.13 -0.41 0.10 0.00 0.06 0.00 0.00 58.65 58.52 3kwc h GLN 193 Cb 0.42 -0.01 -0.08 0.00 0.30 0.00 0.00 27.48 28.12 3kwc h GLN 193 CO 0.02 1.05 0.62 0.00 -0.67 0.00 0.00 178.83 179.86 3kwc h ALA 195 N 1.49 1.00 -0.46 0.00 0.00 -1.33 -2.34 119.26 117.62 3kwc h ALA 195 Ca 0.46 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.37 3kwc h ALA 195 Cb 0.34 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.13 3kwc h ALA 195 CO -0.23 0.00 0.00 0.39 0.00 0.00 0.00 179.25 179.41 3kwc n GLU 196 N -2.75 2.42 -4.08 0.00 1.02 -0.62 -4.84 120.64 111.79 3kwc n GLU 196 Ca 0.01 -2.17 -0.33 0.00 -0.02 0.00 0.00 57.16 54.65 3kwc n GLU 196 Cb 0.26 -1.50 -0.15 0.00 -0.02 0.00 0.00 31.44 30.03 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 -1.32 4.03 0.41 1.62 3.84 -0.88 -5.02 114.94 117.62 3kwc s ASN 197 Ca 0.40 -1.13 0.09 0.00 0.21 0.00 0.00 52.86 52.43 3kwc s ASN 197 Cb 0.22 -1.54 0.85 0.00 -0.55 0.00 0.00 41.25 40.24 3kwc s ASN 197 CO 0.30 -0.13 2.00 -0.29 -2.79 0.00 0.00 177.10 176.19 3kwc h ILE 198 N 6.46 1.13 -0.68 -5.21 6.09 -1.88 -1.99 117.51 121.42 3kwc h ILE 198 Ca -0.28 -0.45 -0.01 0.00 -1.37 0.00 0.00 64.86 62.75 3kwc h ILE 198 Cb 1.08 0.88 -0.03 0.00 0.47 0.00 0.00 36.82 39.21 3kwc h ILE 198 CO 0.53 0.16 0.40 0.00 -3.07 0.00 0.00 178.15 176.17 3kwc h ALA 199 N 1.71 0.87 -0.06 0.18 0.00 -1.95 -2.19 119.26 117.82 3kwc h ALA 199 Ca 0.09 -0.09 -0.20 0.00 0.00 0.00 0.00 54.91 54.71 3kwc h ALA 199 Cb 0.15 -0.27 0.01 0.00 0.00 0.00 0.00 17.79 17.68 3kwc h ALA 199 CO -0.00 0.36 -0.73 0.00 0.00 0.00 0.00 179.25 178.87 3kwc h ILE 201 N 0.23 0.02 0.50 0.00 6.09 -1.35 -3.39 117.51 119.61 3kwc h ILE 201 Ca -0.07 -1.04 -0.02 0.00 -1.37 0.00 0.00 64.86 62.36 3kwc h ILE 201 Cb 1.39 1.53 0.00 0.00 0.47 0.00 0.00 36.82 40.21 3kwc h ILE 201 CO 0.15 0.01 -0.24 0.00 -3.07 0.00 0.00 178.15 175.00 3kwc h ALA 202 N 1.98 -0.67 -0.28 0.18 0.00 -1.56 -0.85 119.26 118.06 3kwc h ALA 202 Ca -0.01 -0.18 0.05 0.00 0.00 0.00 0.00 54.91 54.78 3kwc h ALA 202 Cb 1.02 0.26 -0.01 0.00 0.00 0.00 0.00 17.79 19.06 3kwc h ALA 202 CO 0.00 -0.80 0.19 -1.00 0.00 0.00 0.00 179.25 177.64 3kwc h PRO 203 N -0.81 0.15 -0.17 0.00 0.13 -1.78 -1.83 132.00 127.69 3kwc h PRO 203 Ca -0.07 -0.01 -0.05 0.00 -0.87 0.00 0.00 66.00 65.00 3kwc h PRO 203 Cb 0.58 -0.03 -0.00 0.00 0.13 0.00 0.00 31.00 31.67 3kwc h PRO 203 CO 0.11 0.10 -0.09 0.82 -0.23 0.00 0.00 178.00 178.71 3kwc h ILE 204 N 0.16 1.31 -0.16 -3.56 1.08 -1.69 -3.19 117.51 111.45 3kwc h ILE 204 Ca 0.12 -1.15 -0.08 0.00 -0.39 0.00 0.00 64.86 63.36 3kwc h ILE 204 Cb 0.30 1.70 -0.01 0.00 -3.07 0.00 0.00 36.82 35.74 3kwc h ILE 204 CO -0.02 0.34 -0.27 -0.09 -0.69 0.00 0.00 178.15 177.43 3kwc h ARG 205 N 0.05 0.31 0.00 2.37 2.43 -0.92 -2.94 114.38 115.67 3kwc h ARG 205 Ca 0.04 -0.11 0.00 0.00 -0.81 0.00 0.00 59.98 59.10 3kwc h ARG 205 Cb 0.58 -0.02 0.00 0.00 -0.42 0.00 0.00 29.97 30.10 3kwc h ARG 205 CO 0.03 0.56 0.00 -0.91 -1.51 0.00 0.00 179.97 178.14 3kwc h ASN 206 N 0.27 0.00 0.73 -3.80 2.35 -1.33 -2.56 115.58 111.25 3kwc h ASN 206 Ca 0.04 0.00 -0.09 0.00 -0.55 0.00 0.00 56.30 55.70 3kwc h ASN 206 Cb 0.62 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.98 3kwc h ASN 206 CO 0.04 0.00 -0.42 -0.33 -1.65 0.00 0.00 177.43 175.07 3kwc h GLU 207 N 0.00 0.00 0.00 0.81 4.39 -1.53 -3.51 114.58 114.74 3kwc h GLU 207 Ca 0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 3kwc h GLU 207 Cb 0.48 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.13 3kwc h GLU 207 CO 0.00 0.42 0.00 1.28 -1.16 0.00 0.00 179.01 179.55