#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kwc n LYS 2 N 0.00 0.00 -4.29 0.03 4.01 -1.26 -4.97 118.16 111.68 2kwc n LYS 2 Ca 0.00 0.06 -0.16 0.00 -0.51 0.00 0.00 58.31 57.70 2kwc n LYS 2 Cb 0.00 -0.75 -0.10 0.00 -0.51 0.00 0.00 35.03 33.67 2kwc n LYS 2 CO 0.00 0.00 0.00 -1.12 -1.11 0.00 0.00 177.40 175.17 2kwc s SER 3 N -1.53 1.94 -0.01 4.39 0.01 -1.26 -4.57 113.70 112.67 2kwc s SER 3 Ca 0.00 -1.08 0.08 0.00 1.31 0.00 0.00 55.95 56.25 2kwc s SER 3 Cb 0.00 -0.03 -0.12 0.00 0.21 0.00 0.00 66.02 66.09 2kwc s SER 3 CO 0.00 -0.37 0.18 0.35 0.41 0.00 0.00 173.24 173.82 2kwc n THR 4 N -0.30 0.00 0.27 1.44 -2.24 -1.26 -4.52 114.28 107.67 2kwc n THR 4 Ca -0.08 -0.19 0.12 0.00 -2.27 0.00 0.00 64.05 61.63 2kwc n THR 4 Cb 0.62 0.39 0.78 0.00 -2.10 0.00 0.00 70.33 70.02 2kwc n THR 4 CO 0.00 0.00 0.00 2.19 -0.57 0.00 0.00 175.07 176.69 2kwc h PHE 5 N 0.00 0.00 0.42 4.78 -0.00 -1.95 1.46 116.94 121.66 2kwc h PHE 5 Ca 0.00 0.00 -0.02 0.00 -0.00 0.00 0.00 57.97 57.95 2kwc h PHE 5 Cb 0.33 0.00 0.00 0.00 -0.00 0.00 0.00 35.95 36.29 2kwc h PHE 5 CO 0.00 0.05 -0.20 -0.22 -0.00 0.00 0.00 178.31 177.94 2kwc h LYS 6 N 0.00 -0.55 0.00 6.09 3.64 -1.79 -2.63 116.57 121.33 2kwc h LYS 6 Ca -0.00 0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.42 2kwc h LYS 6 Cb 0.11 0.12 0.00 0.00 -0.41 0.00 0.00 32.23 32.06 2kwc h LYS 6 CO 0.01 -0.26 -0.02 0.66 -2.27 0.00 0.00 179.45 177.57 2kwc h SER 7 N -1.02 0.00 -0.93 4.20 4.64 -1.75 -3.37 113.55 115.32 2kwc h SER 7 Ca -0.06 0.00 0.16 0.00 -0.47 0.00 0.00 61.79 61.42 2kwc h SER 7 Cb 0.54 0.00 -0.16 0.00 -0.31 0.00 0.00 62.40 62.48 2kwc h SER 7 CO 0.10 0.19 -0.32 1.21 -0.87 0.00 0.00 176.83 177.14 2kwc n GLU 8 N -3.04 -0.18 -4.18 4.77 4.07 0.50 -4.35 120.64 118.23 2kwc n GLU 8 Ca -0.00 1.43 -0.31 0.00 -0.06 0.00 0.00 57.16 58.22 2kwc n GLU 8 Cb 0.01 -2.13 -0.08 0.00 -0.06 0.00 0.00 31.44 29.18 2kwc n GLU 8 CO 0.00 0.00 0.00 0.71 -0.06 0.00 0.00 177.13 177.78 2kwc s TYR 9 N -5.96 2.97 0.94 4.31 2.02 -0.99 -5.00 117.35 115.63 2kwc s TYR 9 Ca -0.13 -0.02 -0.13 0.00 -0.37 0.00 0.00 57.07 56.41 2kwc s TYR 9 Cb 0.21 -1.55 0.15 0.00 -0.40 0.00 0.00 41.96 40.37 2kwc s TYR 9 CO 0.68 0.46 1.15 -1.25 -1.57 0.00 0.00 175.55 175.02 2kwc s PRO 10 N -2.13 0.93 0.01 -1.71 0.04 -1.26 -3.96 135.00 126.91 2kwc s PRO 10 Ca 0.24 0.21 -0.25 0.00 0.04 0.00 0.00 61.00 61.24 2kwc s PRO 10 Cb -0.12 -1.82 -0.16 0.00 0.04 0.00 0.00 34.50 32.44 2kwc s PRO 10 CO 0.16 -2.33 1.23 0.35 0.04 0.00 0.00 177.00 176.46 2kwc h PHE 11 N -1.59 -0.38 -0.77 0.56 3.57 -1.87 -3.15 116.94 113.31 2kwc h PHE 11 Ca -0.50 -0.01 0.18 0.00 3.53 0.00 0.00 57.97 61.17 2kwc h PHE 11 Cb 1.32 0.13 -0.13 0.00 2.79 0.00 0.00 35.95 40.06 2kwc h PHE 11 CO 0.00 -0.05 0.09 1.49 -2.23 0.00 0.00 178.31 177.61 2kwc h GLU 12 N -0.76 0.15 0.00 1.11 4.81 -1.97 -0.84 114.58 117.09 2kwc h GLU 12 Ca -0.04 -0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.18 2kwc h GLU 12 Cb 0.50 -0.03 0.00 0.00 0.63 0.00 0.00 28.75 29.85 2kwc h GLU 12 CO 0.07 0.10 0.00 1.17 -0.73 0.00 0.00 179.01 179.62 2kwc n LYS 13 N -5.28 0.00 0.03 1.92 0.00 -1.19 0.10 118.16 113.74 2kwc n LYS 13 Ca 0.15 0.89 -0.10 0.00 0.00 0.00 0.00 58.31 59.25 2kwc n LYS 13 Cb 0.50 -1.45 -0.06 0.00 0.00 0.00 0.00 35.03 34.02 2kwc n LYS 13 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.40 177.31 2kwc h ARG 14 N 0.00 -0.40 -1.85 1.64 9.65 -1.40 0.26 114.38 122.28 2kwc h ARG 14 Ca 0.00 0.03 0.55 0.00 -1.10 0.00 0.00 59.98 59.46 2kwc h ARG 14 Cb 0.00 0.09 -0.09 0.00 -1.39 0.00 0.00 29.97 28.58 2kwc h ARG 14 CO 0.00 -0.27 1.31 -0.22 2.80 0.00 0.00 179.97 183.59 2kwc h LYS 15 N -0.42 0.00 0.70 0.20 3.64 -0.76 1.02 116.57 120.96 2kwc h LYS 15 Ca 0.01 -0.00 -0.03 0.00 -1.27 0.00 0.00 60.65 59.35 2kwc h LYS 15 Cb 0.45 -0.00 0.01 0.00 -0.41 0.00 0.00 32.23 32.28 2kwc h LYS 15 CO -0.23 0.00 -0.34 0.00 -2.27 0.00 0.00 179.45 176.62 2kwc h ALA 16 N 1.14 -0.94 -1.50 5.00 0.00 0.43 -2.42 119.26 120.97 2kwc h ALA 16 Ca 0.93 -0.22 0.49 0.00 0.00 0.00 0.00 54.91 56.10 2kwc h ALA 16 Cb 3.57 0.36 -0.12 0.00 0.00 0.00 0.00 17.79 21.60 2kwc h ALA 16 CO -0.11 -0.96 1.00 1.49 0.00 0.00 0.00 179.25 180.68 2kwc h GLU 17 N -1.08 0.03 -0.09 0.00 4.57 0.15 1.41 114.58 119.57 2kwc h GLU 17 Ca -0.10 -0.00 -0.02 0.00 -1.18 0.00 0.00 59.36 58.06 2kwc h GLU 17 Cb 0.75 -0.01 -0.00 0.00 -0.16 0.00 0.00 28.75 29.33 2kwc h GLU 17 CO 0.16 0.02 -0.03 1.03 -1.18 0.00 0.00 179.01 179.00 2kwc h SER 18 N 0.03 0.18 -1.00 1.04 0.87 -1.23 0.35 113.55 113.79 2kwc h SER 18 Ca 0.87 -0.39 0.23 0.00 -1.23 0.00 0.00 61.79 61.27 2kwc h SER 18 Cb 2.97 -0.05 -0.09 0.00 -0.44 0.00 0.00 62.40 64.79 2kwc h SER 18 CO -0.34 0.53 0.63 -0.33 -0.53 0.00 0.00 176.83 176.79 2kwc h GLU 19 N -0.17 0.51 0.14 2.24 4.39 0.23 0.92 114.58 122.83 2kwc h GLU 19 Ca 0.02 -0.03 -0.29 0.00 0.34 0.00 0.00 59.36 59.40 2kwc h GLU 19 Cb 0.46 -0.11 0.02 0.00 -0.10 0.00 0.00 28.75 29.01 2kwc h GLU 19 CO 0.01 0.34 -1.26 0.00 -1.16 0.00 0.00 179.01 176.93 2kwc h ARG 20 N 0.52 0.48 0.00 2.33 3.08 -1.20 -2.62 114.38 116.97 2kwc h ARG 20 Ca 0.57 -0.71 -0.01 0.00 0.07 0.00 0.00 59.98 59.90 2kwc h ARG 20 Cb 1.23 0.25 -0.00 0.00 0.08 0.00 0.00 29.97 31.52 2kwc h ARG 20 CO -0.31 1.32 -0.05 0.82 -1.07 0.00 0.00 179.97 180.68 2kwc h ILE 21 N 0.19 0.14 0.00 2.04 2.04 0.16 -1.29 117.51 120.78 2kwc h ILE 21 Ca -0.18 -0.55 -0.20 0.00 1.00 0.00 0.00 64.86 64.93 2kwc h ILE 21 Cb 1.95 1.47 -0.03 0.00 -0.74 0.00 0.00 36.82 39.47 2kwc h ILE 21 CO 0.23 0.05 -1.14 0.00 0.00 0.00 0.00 178.15 177.28 2kwc h ALA 22 N 1.95 0.57 0.00 1.87 0.00 0.75 0.98 119.26 125.38 2kwc h ALA 22 Ca -0.00 -0.95 0.00 0.00 0.00 0.00 0.00 54.91 53.96 2kwc h ALA 22 Cb 0.47 0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.35 2kwc h ALA 22 CO 0.01 1.16 -0.01 0.22 0.00 0.00 0.00 179.25 180.63 2kwc h ASP 23 N 0.00 0.00 0.00 0.00 1.82 -0.95 -3.14 116.42 114.15 2kwc h ASP 23 Ca -0.10 -0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.54 2kwc h ASP 23 Cb 1.73 0.00 0.00 0.00 0.68 0.00 0.00 39.33 41.74 2kwc h ASP 23 CO 0.09 0.00 -0.53 -1.14 -1.61 0.00 0.00 179.24 176.05 2kwc n ARG 24 N -2.90 0.28 -3.60 0.28 3.00 -0.57 -4.89 116.66 108.26 2kwc n ARG 24 Ca 0.04 0.11 -0.27 0.00 -0.00 0.00 0.00 57.85 57.73 2kwc n ARG 24 Cb 0.51 -0.97 -0.10 0.00 0.00 0.00 0.00 32.46 31.90 2kwc n ARG 24 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.63 178.82 2kwc n PHE 25 N -3.90 2.47 1.50 -0.14 3.72 0.34 -4.88 117.46 116.56 2kwc n PHE 25 Ca -0.07 -4.05 0.12 0.00 -0.05 0.00 0.00 57.45 53.39 2kwc n PHE 25 Cb 0.27 -0.46 0.71 0.00 -0.94 0.00 0.00 39.48 39.06 2kwc n PHE 25 CO 0.00 0.00 0.00 -0.35 -0.05 0.00 0.00 176.76 176.36 2kwc n PRO 26 N 1.65 0.75 -0.43 -1.08 -0.04 -1.01 -2.04 135.00 132.81 2kwc n PRO 26 Ca 0.25 0.00 0.10 0.00 -0.04 0.00 0.00 63.50 63.80 2kwc n PRO 26 Cb 0.40 -1.50 0.30 0.00 -0.04 0.00 0.00 33.50 32.67 2kwc n PRO 26 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 2kwc n ASN 27 N -1.00 4.06 -4.98 3.54 3.02 -1.26 -4.96 115.26 113.69 2kwc n ASN 27 Ca 0.18 -2.20 -0.22 0.00 -0.03 0.00 0.00 54.58 52.30 2kwc n ASN 27 Cb 0.08 -0.48 0.03 0.00 -0.61 0.00 0.00 39.78 38.81 2kwc n ASN 27 CO 0.00 0.00 0.00 -0.13 -2.62 0.00 0.00 177.26 174.51 2kwc s ARG 28 N -1.38 2.31 -0.36 3.52 3.00 -0.86 -2.61 118.95 122.55 2kwc s ARG 28 Ca 0.45 -1.77 0.03 0.00 0.00 0.00 0.00 55.73 54.43 2kwc s ARG 28 Cb 0.26 -2.43 0.15 0.00 0.00 0.00 0.00 34.95 32.93 2kwc s ARG 28 CO 0.26 -0.73 0.37 0.42 0.00 0.00 0.00 175.30 175.62 2kwc s ILE 29 N -2.69 -0.32 -0.83 1.52 1.01 0.49 -4.77 121.20 115.60 2kwc s ILE 29 Ca 0.51 -0.98 -0.25 0.00 0.00 0.00 0.00 60.65 59.93 2kwc s ILE 29 Cb -0.04 -0.71 0.00 0.00 0.01 0.00 0.00 42.46 41.72 2kwc s ILE 29 CO 0.32 -0.59 1.64 -2.16 0.00 0.00 0.00 174.94 174.14 2kwc s PRO 30 N 1.49 3.01 0.11 2.79 0.04 -1.26 -2.60 135.00 138.58 2kwc s PRO 30 Ca 0.16 -0.31 -0.24 0.00 0.04 0.00 0.00 61.00 60.66 2kwc s PRO 30 Cb -0.15 -4.79 -0.07 0.00 0.04 0.00 0.00 34.50 29.52 2kwc s PRO 30 CO -0.05 -2.63 0.71 0.08 0.04 0.00 0.00 177.00 175.16 2kwc s VAL 31 N 7.43 4.56 -0.50 -0.36 1.01 0.18 -4.27 120.40 128.46 2kwc s VAL 31 Ca 0.55 1.55 -0.04 0.00 0.00 0.00 0.00 61.98 64.03 2kwc s VAL 31 Cb -0.06 -4.07 0.13 0.00 0.00 0.00 0.00 36.38 32.38 2kwc s VAL 31 CO 0.05 0.49 0.32 -0.63 0.00 0.00 0.00 175.10 175.33 2kwc s ILE 32 N -0.86 3.65 0.38 2.22 1.09 -0.85 -2.61 121.20 124.22 2kwc s ILE 32 Ca 0.34 -2.31 -0.14 0.00 -1.10 0.00 0.00 60.65 57.44 2kwc s ILE 32 Cb -0.21 -3.43 -0.08 0.00 -1.06 0.00 0.00 42.46 37.67 2kwc s ILE 32 CO 0.23 -0.78 0.80 0.00 -0.10 0.00 0.00 174.94 175.09 2kwc s GLU 34 N -3.43 1.26 0.19 0.00 8.01 0.15 -4.68 118.70 120.20 2kwc s GLU 34 Ca 0.54 -0.15 -0.29 0.00 0.01 0.00 0.00 54.97 55.09 2kwc s GLU 34 Cb -0.10 -1.41 -0.17 0.00 -4.31 0.00 0.00 34.13 28.14 2kwc s GLU 34 CO 0.23 -0.27 0.57 1.17 0.01 0.00 0.00 175.26 176.97 2kwc n LYS 35 N 4.99 0.04 -3.55 1.61 3.00 -1.26 -3.82 118.16 119.17 2kwc n LYS 35 Ca -0.11 0.01 -0.41 0.00 -0.00 0.00 0.00 58.31 57.80 2kwc n LYS 35 Cb 0.50 -1.06 -0.11 0.00 0.00 0.00 0.00 35.03 34.36 2kwc n LYS 35 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 2kwc s ALA 36 N -0.93 3.37 0.29 3.14 0.00 -1.03 -4.84 121.76 121.75 2kwc s ALA 36 Ca 0.66 -1.67 0.04 0.00 0.00 0.00 0.00 51.96 50.99 2kwc s ALA 36 Cb -0.95 -2.69 0.73 0.00 0.00 0.00 0.00 23.12 20.21 2kwc s ALA 36 CO 0.56 -1.35 1.71 1.05 0.00 0.00 0.00 175.76 177.74 2kwc h GLU 37 N 8.50 0.46 -1.06 0.00 4.11 -1.90 0.64 114.58 125.35 2kwc h GLU 37 Ca -0.27 -0.03 0.28 0.00 0.07 0.00 0.00 59.36 59.41 2kwc h GLU 37 Cb 1.12 -0.10 -0.10 0.00 0.50 0.00 0.00 28.75 30.16 2kwc h GLU 37 CO 0.68 0.31 0.67 0.87 0.07 0.00 0.00 179.01 181.62 2kwc h LYS 38 N 0.48 0.37 -7.05 1.06 1.79 -1.96 -3.40 116.57 107.87 2kwc h LYS 38 Ca 0.56 -0.02 -0.51 0.00 -2.18 0.00 0.00 60.65 58.50 2kwc h LYS 38 Cb 1.02 -0.08 0.08 0.00 -1.58 0.00 0.00 32.23 31.67 2kwc h LYS 38 CO -0.49 0.25 0.48 -1.54 -1.08 0.00 0.00 179.45 177.06 2kwc s SER 39 N -5.18 5.81 -0.08 0.86 1.04 0.22 -4.93 113.70 111.44 2kwc s SER 39 Ca -0.09 2.31 0.18 0.00 0.48 0.00 0.00 55.95 58.83 2kwc s SER 39 Cb 0.26 -2.60 0.64 0.00 0.10 0.00 0.00 66.02 64.42 2kwc s SER 39 CO 0.80 -1.17 1.55 0.47 0.98 0.00 0.00 173.24 175.87 2kwc n ASP 40 N -0.96 4.31 -4.89 7.02 9.92 -1.26 -4.94 116.55 125.74 2kwc n ASP 40 Ca 0.10 -2.35 -0.29 0.00 -0.53 0.00 0.00 54.79 51.72 2kwc n ASP 40 Cb 0.49 -0.51 0.03 0.00 -0.64 0.00 0.00 41.12 40.48 2kwc n ASP 40 CO 0.00 0.00 0.00 0.27 0.13 0.00 0.00 177.20 177.60 2kwc s ILE 41 N -1.66 4.06 0.36 0.53 -4.36 -1.26 -5.04 121.20 113.83 2kwc s ILE 41 Ca 0.46 0.42 -0.26 0.00 -0.26 0.00 0.00 60.65 61.02 2kwc s ILE 41 Cb 0.29 -3.63 -0.09 0.00 1.25 0.00 0.00 42.46 40.28 2kwc s ILE 41 CO 0.24 -0.76 1.06 -2.16 0.24 0.00 0.00 174.94 173.56 2kwc s PRO 42 N -5.13 4.31 1.12 0.37 0.04 -1.26 -5.03 135.00 129.42 2kwc s PRO 42 Ca 0.55 1.60 -0.14 0.00 0.04 0.00 0.00 61.00 63.05 2kwc s PRO 42 Cb -0.11 -2.74 0.25 0.00 0.04 0.00 0.00 34.50 31.94 2kwc s PRO 42 CO 0.50 -0.03 1.06 -2.00 0.04 0.00 0.00 177.00 176.57 2kwc s GLU 43 N -2.17 -0.52 0.45 4.56 2.12 -1.26 -4.90 118.70 116.98 2kwc s GLU 43 Ca 0.54 0.55 0.06 0.00 0.36 0.00 0.00 54.97 56.48 2kwc s GLU 43 Cb -0.25 -1.62 -0.03 0.00 0.26 0.00 0.00 34.13 32.48 2kwc s GLU 43 CO 0.32 -3.38 0.19 0.96 -0.54 0.00 0.00 175.26 172.80 2kwc s ILE 44 N -2.73 2.02 -0.10 -3.70 -4.36 -1.26 -4.91 121.20 106.17 2kwc s ILE 44 Ca 0.67 -1.71 -0.28 0.00 -0.26 0.00 0.00 60.65 59.07 2kwc s ILE 44 Cb -0.20 -2.73 -0.24 0.00 1.25 0.00 0.00 42.46 40.53 2kwc s ILE 44 CO 0.61 0.00 0.94 0.44 0.24 0.00 0.00 174.94 177.16 2kwc h ASP 45 N 1.31 0.02 -5.09 4.36 3.45 -1.97 -3.48 116.42 115.02 2kwc h ASP 45 Ca -0.42 -0.83 -0.07 0.00 0.43 0.00 0.00 57.03 56.14 2kwc h ASP 45 Cb 1.27 -0.01 -0.15 0.00 -0.56 0.00 0.00 39.33 39.89 2kwc h ASP 45 CO 0.69 0.85 -0.21 -0.75 -1.57 0.00 0.00 179.24 178.25 2kwc s LYS 46 N -2.90 0.92 -0.34 3.56 2.47 -1.26 -5.12 119.74 117.08 2kwc s LYS 46 Ca -0.18 -0.69 -0.00 0.00 -1.56 0.00 0.00 55.97 53.54 2kwc s LYS 46 Cb -0.01 0.40 0.08 0.00 -1.46 0.00 0.00 37.83 36.84 2kwc s LYS 46 CO 0.69 -0.32 0.07 -0.98 0.16 0.00 0.00 175.35 174.97 2kwc s ARG 47 N -3.37 2.06 -0.29 4.03 3.03 -1.26 -5.04 118.95 118.12 2kwc s ARG 47 Ca 0.01 -1.60 -0.05 0.00 2.03 0.00 0.00 55.73 56.12 2kwc s ARG 47 Cb 0.02 -3.30 0.16 0.00 -1.03 0.00 0.00 34.95 30.80 2kwc s ARG 47 CO -0.09 -0.84 0.59 0.21 -1.13 0.00 0.00 175.30 174.04 2kwc s LYS 48 N 1.12 0.54 -0.13 3.89 2.20 -1.26 -4.59 119.74 121.51 2kwc s LYS 48 Ca 0.03 1.13 -0.02 0.00 -0.36 0.00 0.00 55.97 56.75 2kwc s LYS 48 Cb -0.21 0.57 0.04 0.00 -1.51 0.00 0.00 37.83 36.72 2kwc s LYS 48 CO -0.04 -0.44 0.00 0.71 -0.36 0.00 0.00 175.35 175.22 2kwc s TYR 49 N 2.83 0.95 -0.56 4.03 2.02 -1.07 -5.03 117.35 120.52 2kwc s TYR 49 Ca 0.09 -0.54 -0.11 0.00 -0.37 0.00 0.00 57.07 56.14 2kwc s TYR 49 Cb -0.14 -0.96 0.14 0.00 -0.40 0.00 0.00 41.96 40.60 2kwc s TYR 49 CO -0.19 -0.47 0.46 -0.51 -1.57 0.00 0.00 175.55 173.27 2kwc s LEU 50 N 1.88 5.95 0.15 -1.29 1.43 -1.26 -0.64 118.68 124.90 2kwc s LEU 50 Ca 0.03 -2.09 0.07 0.00 -1.03 0.00 0.00 54.13 51.11 2kwc s LEU 50 Cb -0.14 -2.08 -0.04 0.00 0.03 0.00 0.00 46.19 43.96 2kwc s LEU 50 CO -0.07 -0.69 -0.01 0.68 0.23 0.00 0.00 176.35 176.49 2kwc s VAL 51 N 1.11 3.73 0.98 -1.59 -7.23 -1.07 -4.83 120.40 111.50 2kwc s VAL 51 Ca 0.08 -1.34 -0.15 0.00 -1.81 0.00 0.00 61.98 58.76 2kwc s VAL 51 Cb -0.24 -2.85 0.18 0.00 0.56 0.00 0.00 36.38 34.03 2kwc s VAL 51 CO -0.01 -0.05 1.17 -2.16 -0.31 0.00 0.00 175.10 173.74 2kwc s PRO 52 N -2.77 0.54 -0.09 4.82 0.04 -1.26 0.19 135.00 136.47 2kwc s PRO 52 Ca 0.27 0.06 0.07 0.00 0.04 0.00 0.00 61.00 61.44 2kwc s PRO 52 Cb -0.10 -1.79 0.36 0.00 0.04 0.00 0.00 34.50 33.01 2kwc s PRO 52 CO 0.18 -2.56 1.10 0.00 0.04 0.00 0.00 177.00 175.76 2kwc n ALA 53 N -3.97 3.00 -0.23 8.56 0.00 -1.07 -3.11 120.51 123.69 2kwc n ALA 53 Ca 0.10 -0.81 0.00 0.00 0.00 0.00 0.00 53.44 52.73 2kwc n ALA 53 Cb 0.59 -1.04 0.00 0.00 0.00 0.00 0.00 19.45 19.00 2kwc n ALA 53 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 2kwc n ASP 54 N 0.32 0.93 -4.92 0.00 2.03 -1.26 -4.25 116.55 109.39 2kwc n ASP 54 Ca 0.12 -1.15 -0.27 0.00 0.52 0.00 0.00 54.79 54.01 2kwc n ASP 54 Cb 0.60 0.00 -0.03 0.00 -0.72 0.00 0.00 41.12 40.97 2kwc n ASP 54 CO 0.00 0.00 0.00 -0.22 -1.92 0.00 0.00 177.20 175.06 2kwc s LEU 55 N -0.15 4.16 0.25 -2.67 0.20 -1.18 -4.98 118.68 114.30 2kwc s LEU 55 Ca 0.00 0.50 0.06 0.00 0.69 0.00 0.00 54.13 55.37 2kwc s LEU 55 Cb 0.00 -3.29 -0.03 0.00 -0.43 0.00 0.00 46.19 42.44 2kwc s LEU 55 CO 0.00 -0.11 0.33 0.42 -0.29 0.00 0.00 176.35 176.69 2kwc s THR 56 N -1.98 4.97 0.22 3.68 -4.23 -1.26 -1.44 115.64 115.60 2kwc s THR 56 Ca 0.40 -1.09 -0.08 0.00 -1.18 0.00 0.00 61.69 59.74 2kwc s THR 56 Cb -0.11 -3.72 0.17 0.00 1.34 0.00 0.00 72.50 70.19 2kwc s THR 56 CO 0.30 -0.32 1.73 0.58 -0.54 0.00 0.00 174.62 176.37 2kwc h VAL 57 N 1.23 0.70 -0.97 2.29 2.07 -0.92 -1.90 116.25 118.74 2kwc h VAL 57 Ca -0.51 -0.13 0.13 0.00 0.82 0.00 0.00 66.70 67.01 2kwc h VAL 57 Cb 1.23 0.29 -0.14 0.00 -1.52 0.00 0.00 31.29 31.15 2kwc h VAL 57 CO 0.60 0.07 -0.47 1.23 0.02 0.00 0.00 177.57 179.03 2kwc h GLY 58 N 0.38 -0.30 -0.14 2.17 0.00 -1.49 1.14 103.07 104.83 2kwc h GLY 58 Ca 0.34 0.63 0.24 0.00 0.00 0.00 0.00 47.33 48.54 2kwc h GLY 58 CO -0.36 -0.11 0.58 1.46 0.00 0.00 0.00 176.54 178.11 2kwc h GLN 59 N -0.02 0.56 0.00 4.80 4.20 -1.60 0.96 115.11 124.01 2kwc h GLN 59 Ca 0.27 -0.03 -0.04 0.00 0.06 0.00 0.00 58.65 58.90 2kwc h GLN 59 Cb 0.53 -0.13 -0.01 0.00 0.30 0.00 0.00 27.48 28.17 2kwc h GLN 59 CO -0.95 0.37 -0.20 0.35 -0.67 0.00 0.00 178.83 177.73 2kwc h PHE 60 N 0.58 0.00 0.00 2.96 3.57 0.13 -0.09 116.94 124.09 2kwc h PHE 60 Ca 0.64 0.00 0.00 0.00 3.53 0.00 0.00 57.97 62.14 2kwc h PHE 60 Cb 1.20 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.94 2kwc h PHE 60 CO -0.01 0.20 0.00 0.28 -2.23 0.00 0.00 178.31 176.55 2kwc h VAL 61 N 0.00 0.00 0.00 1.41 2.07 0.20 -3.05 116.25 116.87 2kwc h VAL 61 Ca -0.00 -0.45 0.00 0.00 0.82 0.00 0.00 66.70 67.07 2kwc h VAL 61 Cb 0.37 1.34 0.00 0.00 -1.52 0.00 0.00 31.29 31.48 2kwc h VAL 61 CO 0.03 0.00 -0.00 0.22 0.02 0.00 0.00 177.57 177.83 2kwc h TYR 62 N 0.00 0.00 -0.74 1.57 3.20 -0.42 -2.96 116.97 117.62 2kwc h TYR 62 Ca 0.00 0.00 0.12 0.00 3.14 0.00 0.00 58.73 61.99 2kwc h TYR 62 Cb 0.58 0.00 -0.13 0.00 1.54 0.00 0.00 36.73 38.72 2kwc h TYR 62 CO 0.00 0.00 -0.39 -0.39 -1.64 0.00 0.00 178.16 175.74 2kwc h VAL 63 N -0.61 0.09 -0.31 1.81 -1.51 -1.57 0.24 116.25 114.38 2kwc h VAL 63 Ca 0.00 0.00 0.07 0.00 -1.23 0.00 0.00 66.70 65.54 2kwc h VAL 63 Cb 0.00 0.09 -0.08 0.00 -2.13 0.00 0.00 31.29 29.16 2kwc h VAL 63 CO 0.00 0.00 -0.35 0.40 -1.23 0.00 0.00 177.57 176.39 2kwc h ILE 64 N -0.12 0.22 -1.17 7.19 5.03 -1.70 0.70 117.51 127.66 2kwc h ILE 64 Ca 0.25 0.00 0.34 0.00 -0.12 0.00 0.00 64.86 65.33 2kwc h ILE 64 Cb 0.56 0.22 -0.05 0.00 -3.03 0.00 0.00 36.82 34.52 2kwc h ILE 64 CO -0.80 0.00 0.99 -0.09 -0.68 0.00 0.00 178.15 177.58 2kwc h ARG 65 N -0.32 0.00 0.18 2.37 9.65 -0.38 1.38 114.38 127.26 2kwc h ARG 65 Ca 0.14 0.00 -0.25 0.00 -1.10 0.00 0.00 59.98 58.78 2kwc h ARG 65 Cb 0.55 0.00 0.03 0.00 -1.39 0.00 0.00 29.97 29.16 2kwc h ARG 65 CO -0.49 0.00 -1.07 0.87 2.80 0.00 0.00 179.97 182.08 2kwc h LYS 66 N 0.00 0.41 0.00 0.20 1.79 0.12 1.35 116.57 120.44 2kwc h LYS 66 Ca 0.56 -0.68 -0.00 0.00 -2.18 0.00 0.00 60.65 58.34 2kwc h LYS 66 Cb 2.54 0.25 -0.00 0.00 -1.58 0.00 0.00 32.23 33.44 2kwc h LYS 66 CO -0.01 1.32 -0.02 0.00 -1.08 0.00 0.00 179.45 179.66 2kwc h ARG 67 N -0.14 0.00 -0.00 3.15 2.47 0.31 -1.01 114.38 119.15 2kwc h ARG 67 Ca -0.18 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.54 2kwc h ARG 67 Cb 1.84 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 30.16 2kwc h ARG 67 CO 0.20 0.02 -0.24 0.44 0.56 0.00 0.00 179.97 180.95 2kwc n ILE 68 N -3.84 0.00 -4.28 2.04 -5.35 -0.03 -4.75 119.36 103.16 2kwc n ILE 68 Ca -0.03 -0.38 -0.31 0.00 -0.27 0.00 0.00 62.75 61.76 2kwc n ILE 68 Cb 0.11 1.06 -0.08 0.00 -1.74 0.00 0.00 39.64 38.98 2kwc n ILE 68 CO 0.00 0.00 0.00 1.15 -1.76 0.00 0.00 176.55 175.94 2kwc n MET 69 N -0.62 -1.34 -0.93 6.28 0.00 0.45 -4.88 117.12 116.08 2kwc n MET 69 Ca 0.03 0.15 -0.30 0.00 0.00 0.00 0.00 57.70 57.58 2kwc n MET 69 Cb 0.15 -3.86 0.17 0.00 0.00 0.00 0.00 33.22 29.68 2kwc n MET 69 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 175.97 175.46 2kwc s LEU 70 N -7.31 2.16 0.64 3.17 1.43 -0.45 -5.00 118.68 113.33 2kwc s LEU 70 Ca 0.09 1.71 -0.13 0.00 -1.03 0.00 0.00 54.13 54.76 2kwc s LEU 70 Cb -0.05 -4.03 -0.02 0.00 0.03 0.00 0.00 46.19 42.12 2kwc s LEU 70 CO 0.98 -3.06 1.05 -2.16 0.23 0.00 0.00 176.35 173.40 2kwc s PRO 71 N -4.75 3.17 0.00 1.29 0.04 -1.26 -4.93 135.00 128.57 2kwc s PRO 71 Ca 0.65 1.07 0.24 0.00 0.04 0.00 0.00 61.00 62.99 2kwc s PRO 71 Cb -0.21 -2.02 1.40 0.00 0.04 0.00 0.00 34.50 33.72 2kwc s PRO 71 CO 0.59 -0.92 1.78 -0.35 0.04 0.00 0.00 177.00 178.14 2kwc n PRO 72 N -2.54 0.75 -0.00 0.56 -0.04 -1.26 -2.09 135.00 130.38 2kwc n PRO 72 Ca 0.08 0.00 0.10 0.00 -0.04 0.00 0.00 63.50 63.64 2kwc n PRO 72 Cb 0.53 -1.49 -0.13 0.00 -0.04 0.00 0.00 33.50 32.37 2kwc n PRO 72 CO 0.00 0.00 0.00 -0.85 -0.04 0.00 0.00 175.50 174.61 2kwc n GLU 73 N -0.99 0.59 -2.69 0.54 0.28 -1.26 -4.97 120.64 112.13 2kwc n GLU 73 Ca 0.18 -0.09 -0.22 0.00 -0.16 0.00 0.00 57.16 56.86 2kwc n GLU 73 Cb 0.08 -1.45 0.09 0.00 1.43 0.00 0.00 31.44 31.59 2kwc n GLU 73 CO 0.00 0.00 0.00 0.15 -0.16 0.00 0.00 177.13 177.12 2kwc s LYS 74 N -3.12 1.90 -0.23 3.44 1.02 -0.89 -5.12 119.74 116.75 2kwc s LYS 74 Ca -0.00 -1.20 -0.08 0.00 0.02 0.00 0.00 55.97 54.71 2kwc s LYS 74 Cb 0.14 -2.42 0.10 0.00 -0.52 0.00 0.00 37.83 35.13 2kwc s LYS 74 CO 0.82 -1.24 0.49 0.00 -0.92 0.00 0.00 175.35 174.50 2kwc s ALA 75 N -2.99 -1.42 0.03 5.17 0.00 -1.26 -4.91 121.76 116.38 2kwc s ALA 75 Ca 0.64 1.76 -0.09 0.00 0.00 0.00 0.00 51.96 54.28 2kwc s ALA 75 Cb -0.06 -1.43 -0.05 0.00 0.00 0.00 0.00 23.12 21.58 2kwc s ALA 75 CO 0.42 -0.77 0.34 -1.50 0.00 0.00 0.00 175.76 174.26 2kwc s ILE 76 N 2.60 5.18 0.09 0.00 2.07 -1.26 -4.42 121.20 125.45 2kwc s ILE 76 Ca -0.04 0.40 0.08 0.00 -1.41 0.00 0.00 60.65 59.68 2kwc s ILE 76 Cb -0.12 -3.61 -0.04 0.00 0.13 0.00 0.00 42.46 38.82 2kwc s ILE 76 CO -0.15 0.38 -0.19 -0.36 -1.91 0.00 0.00 174.94 172.71 2kwc s PHE 77 N -1.30 2.52 -0.11 3.50 0.08 -0.71 -4.96 117.98 117.00 2kwc s PHE 77 Ca 0.29 -0.27 -0.02 0.00 0.12 0.00 0.00 56.93 57.04 2kwc s PHE 77 Cb -0.14 -1.39 -0.03 0.00 -0.57 0.00 0.00 43.02 40.89 2kwc s PHE 77 CO 0.16 0.32 -0.03 0.42 -0.10 0.00 0.00 175.22 175.99 2kwc s ILE 78 N -1.04 4.00 -0.10 0.64 -1.09 -1.26 -1.34 121.20 121.01 2kwc s ILE 78 Ca 0.16 -0.34 0.01 0.00 -2.23 0.00 0.00 60.65 58.25 2kwc s ILE 78 Cb -0.10 -2.70 0.02 0.00 -1.58 0.00 0.00 42.46 38.09 2kwc s ILE 78 CO 0.08 0.55 -0.13 -0.36 -1.23 0.00 0.00 174.94 173.85 2kwc s PHE 79 N -0.32 1.77 -0.05 3.97 0.40 -0.11 -4.13 117.98 119.51 2kwc s PHE 79 Ca 0.06 -0.82 0.06 0.00 -0.60 0.00 0.00 56.93 55.62 2kwc s PHE 79 Cb -0.12 -1.32 -0.01 0.00 0.51 0.00 0.00 43.02 42.07 2kwc s PHE 79 CO 0.02 -0.46 -0.24 0.14 0.70 0.00 0.00 175.22 175.38 2kwc s VAL 80 N 1.12 2.16 -1.35 -0.44 -7.23 -0.97 -1.42 120.40 112.27 2kwc s VAL 80 Ca -0.05 -1.04 -0.11 0.00 -1.81 0.00 0.00 61.98 58.97 2kwc s VAL 80 Cb -0.14 -1.78 0.01 0.00 0.56 0.00 0.00 36.38 35.03 2kwc s VAL 80 CO -0.03 0.57 0.43 0.59 -0.31 0.00 0.00 175.10 176.36 2kwc n ASN 81 N 2.77 -1.71 -4.02 4.85 5.03 -1.26 0.70 115.26 121.63 2kwc n ASN 81 Ca -0.17 -1.14 -0.29 0.00 0.87 0.00 0.00 54.58 53.84 2kwc n ASN 81 Cb 0.52 -2.43 -0.01 0.00 -1.02 0.00 0.00 39.78 36.83 2kwc n ASN 81 CO 0.00 0.00 0.00 0.47 -1.83 0.00 0.00 177.26 175.90 2kwc n ASP 82 N -2.72 -1.88 -1.91 6.41 8.00 -1.26 -4.93 116.55 118.25 2kwc n ASP 82 Ca -0.23 -0.97 -0.08 0.00 0.71 0.00 0.00 54.79 54.22 2kwc n ASP 82 Cb 0.65 -3.13 -0.03 0.00 -0.02 0.00 0.00 41.12 38.58 2kwc n ASP 82 CO 0.00 0.00 0.00 1.07 -0.39 0.00 0.00 177.20 177.88 2kwc n THR 83 N -4.43 0.00 -3.43 -3.53 5.66 0.22 -5.08 114.28 103.69 2kwc n THR 83 Ca -0.14 -0.91 -0.24 0.00 -3.05 0.00 0.00 64.05 59.71 2kwc n THR 83 Cb 0.60 0.43 -0.11 0.00 -1.55 0.00 0.00 70.33 69.71 2kwc n THR 83 CO 0.00 0.00 0.00 -0.22 -3.05 0.00 0.00 175.07 171.80 2kwc s LEU 84 N 0.00 0.49 0.64 1.09 2.96 -1.26 -2.29 118.68 120.31 2kwc s LEU 84 Ca 0.14 -1.82 -0.13 0.00 -0.22 0.00 0.00 54.13 52.09 2kwc s LEU 84 Cb 0.01 0.01 -0.02 0.00 0.50 0.00 0.00 46.19 46.68 2kwc s LEU 84 CO 0.10 -0.31 1.05 -2.16 -1.32 0.00 0.00 176.35 173.72 2kwc s PRO 85 N 1.35 3.18 0.70 0.98 0.04 -1.26 -5.03 135.00 134.96 2kwc s PRO 85 Ca 0.16 1.07 -0.11 0.00 0.04 0.00 0.00 61.00 62.17 2kwc s PRO 85 Cb -0.19 -2.02 0.01 0.00 0.04 0.00 0.00 34.50 32.34 2kwc s PRO 85 CO -0.05 -0.91 1.06 -1.25 0.04 0.00 0.00 177.00 175.89 2kwc s PRO 86 N -4.52 2.94 0.00 0.56 0.04 -1.26 -4.90 135.00 127.86 2kwc s PRO 86 Ca 0.61 0.96 0.22 0.00 0.04 0.00 0.00 61.00 62.83 2kwc s PRO 86 Cb -0.15 -1.99 1.02 0.00 0.04 0.00 0.00 34.50 33.43 2kwc s PRO 86 CO 0.45 -1.10 1.72 -2.37 0.04 0.00 0.00 177.00 175.74 2kwc n THR 87 N -3.13 0.41 0.01 1.26 5.66 -1.26 -2.28 114.28 114.95 2kwc n THR 87 Ca 0.08 0.10 0.02 0.00 -3.05 0.00 0.00 64.05 61.20 2kwc n THR 87 Cb 0.53 -0.73 -0.10 0.00 -1.55 0.00 0.00 70.33 68.49 2kwc n THR 87 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 2kwc n ALA 88 N -1.41 2.12 -1.59 1.79 0.00 -1.26 -1.43 120.51 118.73 2kwc n ALA 88 Ca 0.08 -0.61 -0.46 0.00 0.00 0.00 0.00 53.44 52.44 2kwc n ALA 88 Cb 0.22 -0.82 -0.03 0.00 0.00 0.00 0.00 19.45 18.82 2kwc n ALA 88 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2kwc n ALA 89 N -2.39 -0.39 -2.32 0.00 0.00 -0.96 -4.65 120.51 109.80 2kwc n ALA 89 Ca -0.11 0.42 -0.39 0.00 0.00 0.00 0.00 53.44 53.36 2kwc n ALA 89 Cb 0.79 -2.04 -0.05 0.00 0.00 0.00 0.00 19.45 18.15 2kwc n ALA 89 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.50 176.33 2kwc s LEU 90 N 0.56 4.48 0.00 0.00 2.96 -1.26 -0.73 118.68 124.69 2kwc s LEU 90 Ca 0.65 1.40 0.09 0.00 -0.22 0.00 0.00 54.13 56.05 2kwc s LEU 90 Cb -0.76 -3.13 0.38 0.00 0.50 0.00 0.00 46.19 43.18 2kwc s LEU 90 CO 0.56 0.11 1.26 0.23 -1.32 0.00 0.00 176.35 177.18 2kwc n MET 91 N 2.40 0.02 0.01 1.98 2.81 -0.52 -0.19 117.12 123.63 2kwc n MET 91 Ca -0.05 0.32 -0.22 0.00 -1.81 0.00 0.00 57.70 55.94 2kwc n MET 91 Cb 0.50 -1.50 -0.14 0.00 -0.71 0.00 0.00 33.22 31.37 2kwc n MET 91 CO 0.00 0.00 0.00 0.66 1.51 0.00 0.00 175.97 178.14 2kwc h SER 92 N 0.00 0.43 0.75 7.83 4.64 -1.80 -2.89 113.55 122.50 2kwc h SER 92 Ca 0.00 -0.89 -0.25 0.00 -0.47 0.00 0.00 61.79 60.18 2kwc h SER 92 Cb 0.14 -0.14 -0.01 0.00 -0.31 0.00 0.00 62.40 62.08 2kwc h SER 92 CO 0.00 1.76 -1.14 0.00 -0.87 0.00 0.00 176.83 176.58 2kwc h ALA 93 N 0.01 0.20 0.59 5.18 0.00 -1.71 -2.12 119.26 121.41 2kwc h ALA 93 Ca -0.37 -0.88 -0.03 0.00 0.00 0.00 0.00 54.91 53.62 2kwc h ALA 93 Cb 1.93 -0.05 0.01 0.00 0.00 0.00 0.00 17.79 19.68 2kwc h ALA 93 CO 0.08 1.06 -0.28 0.82 0.00 0.00 0.00 179.25 180.92 2kwc h ILE 94 N 0.05 0.00 -0.02 0.00 1.08 -0.73 -2.78 117.51 115.11 2kwc h ILE 94 Ca -0.09 -0.29 0.01 0.00 -0.39 0.00 0.00 64.86 64.10 2kwc h ILE 94 Cb 1.88 0.00 -0.00 0.00 -3.07 0.00 0.00 36.82 35.63 2kwc h ILE 94 CO 0.18 0.00 0.03 0.22 -0.69 0.00 0.00 178.15 177.88 2kwc h TYR 95 N -1.09 0.00 -0.58 1.37 5.03 -1.64 1.46 116.97 121.53 2kwc h TYR 95 Ca -0.08 0.00 -0.04 0.00 2.58 0.00 0.00 58.73 61.19 2kwc h TYR 95 Cb 0.61 0.00 -0.03 0.00 1.55 0.00 0.00 36.73 38.86 2kwc h TYR 95 CO 0.02 0.00 0.20 1.96 -1.32 0.00 0.00 178.16 179.02 2kwc h GLN 96 N 0.00 0.86 -0.00 1.82 4.20 -1.25 0.87 115.11 121.60 2kwc h GLN 96 Ca 0.01 -0.15 0.00 0.00 0.06 0.00 0.00 58.65 58.57 2kwc h GLN 96 Cb 0.06 -0.14 0.00 0.00 0.30 0.00 0.00 27.48 27.70 2kwc h GLN 96 CO -0.00 0.73 -0.46 0.39 -0.67 0.00 0.00 178.83 178.82 2kwc n GLU 97 N -4.30 2.42 -0.08 1.46 -0.58 -0.29 -4.28 120.64 114.98 2kwc n GLU 97 Ca 0.05 -0.31 0.08 0.00 -0.42 0.00 0.00 57.16 56.56 2kwc n GLU 97 Cb 0.19 -1.13 0.12 0.00 -0.57 0.00 0.00 31.44 30.04 2kwc n GLU 97 CO 0.00 0.00 0.00 0.72 -0.48 0.00 0.00 177.13 177.37 2kwc n HIS 98 N -0.81 0.22 -2.27 -0.32 8.25 0.49 -4.97 115.22 115.80 2kwc n HIS 98 Ca 0.04 -0.16 -0.42 0.00 -0.26 0.00 0.00 57.72 56.92 2kwc n HIS 98 Cb 0.23 -0.01 -0.03 0.00 1.12 0.00 0.00 29.99 31.31 2kwc n HIS 98 CO 0.00 0.00 0.00 0.21 0.64 0.00 0.00 176.34 177.19 2kwc s LYS 99 N -1.22 4.38 0.60 -0.41 2.36 0.30 -4.62 119.74 121.12 2kwc s LYS 99 Ca 0.23 1.96 0.10 0.00 -2.55 0.00 0.00 55.97 55.71 2kwc s LYS 99 Cb 0.15 -3.27 0.10 0.00 -1.05 0.00 0.00 37.83 33.75 2kwc s LYS 99 CO 0.21 -0.33 0.81 -3.47 1.55 0.00 0.00 175.35 174.12 2kwc n ASP 100 N 3.65 2.21 0.35 1.43 -0.08 -1.24 -4.98 116.55 117.89 2kwc n ASP 100 Ca 0.09 -2.61 -0.19 0.00 -1.51 0.00 0.00 54.79 50.58 2kwc n ASP 100 Cb 0.44 -0.42 -0.10 0.00 2.34 0.00 0.00 41.12 43.38 2kwc n ASP 100 CO 0.00 0.00 0.00 0.11 0.12 0.00 0.00 177.20 177.43 2kwc h LYS 101 N 0.00 -1.04 -0.98 -0.67 1.57 -1.95 -2.18 116.57 111.32 2kwc h LYS 101 Ca -0.28 0.07 0.24 0.00 -1.87 0.00 0.00 60.65 58.80 2kwc h LYS 101 Cb 1.29 0.24 -0.18 0.00 0.08 0.00 0.00 32.23 33.65 2kwc h LYS 101 CO 0.41 -0.69 -0.09 -0.44 -0.57 0.00 0.00 179.45 178.07 2kwc h ASP 102 N -1.08 -0.66 0.00 0.86 5.19 -2.02 -3.45 116.42 115.27 2kwc h ASP 102 Ca -0.08 0.28 0.00 0.00 -0.62 0.00 0.00 57.03 56.62 2kwc h ASP 102 Cb 0.90 0.54 0.00 0.00 0.18 0.00 0.00 39.33 40.95 2kwc h ASP 102 CO 0.01 -0.34 0.00 0.61 -3.12 0.00 0.00 179.24 176.40 2kwc n GLY 103 N -1.55 2.71 3.61 2.75 0.00 -0.82 -4.90 105.19 106.99 2kwc n GLY 103 Ca 0.20 -0.79 -0.28 0.00 0.00 0.00 0.00 46.02 45.14 2kwc n GLY 103 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2kwc s PHE 104 N -0.20 1.73 -0.19 1.61 0.08 -1.26 -4.45 117.98 115.29 2kwc s PHE 104 Ca 0.00 0.97 -0.05 0.00 0.12 0.00 0.00 56.93 57.97 2kwc s PHE 104 Cb 0.00 -3.23 -0.03 0.00 -0.57 0.00 0.00 43.02 39.20 2kwc s PHE 104 CO 0.00 -3.33 0.00 -1.17 -0.10 0.00 0.00 175.22 170.63 2kwc s LEU 105 N -6.76 3.33 -0.44 -0.37 2.96 -1.26 -3.65 118.68 112.49 2kwc s LEU 105 Ca 0.67 -0.15 -0.17 0.00 -0.22 0.00 0.00 54.13 54.25 2kwc s LEU 105 Cb -0.20 -1.84 0.03 0.00 0.50 0.00 0.00 46.19 44.69 2kwc s LEU 105 CO 0.60 0.09 0.46 -0.31 -1.32 0.00 0.00 176.35 175.86 2kwc s TYR 106 N 0.83 3.16 0.14 5.38 1.51 -1.26 -2.00 117.35 125.10 2kwc s TYR 106 Ca 0.01 -0.49 0.01 0.00 -1.01 0.00 0.00 57.07 55.59 2kwc s TYR 106 Cb -0.14 -3.02 -0.04 0.00 -0.11 0.00 0.00 41.96 38.64 2kwc s TYR 106 CO 0.02 -0.76 0.00 0.54 -1.11 0.00 0.00 175.55 174.24 2kwc s VAL 107 N 2.13 0.49 -0.07 0.71 0.11 -1.22 -3.99 120.40 118.56 2kwc s VAL 107 Ca 0.11 -1.94 -0.05 0.00 -2.93 0.00 0.00 61.98 57.18 2kwc s VAL 107 Cb -0.18 -1.96 0.03 0.00 -1.53 0.00 0.00 36.38 32.73 2kwc s VAL 107 CO 0.12 -0.60 0.17 -0.89 -3.33 0.00 0.00 175.10 170.58 2kwc s THR 108 N -3.78 -0.02 0.02 5.04 2.01 -0.50 -0.68 115.64 117.73 2kwc s THR 108 Ca 0.20 0.09 0.01 0.00 0.31 0.00 0.00 61.69 62.30 2kwc s THR 108 Cb 0.06 -0.27 -0.04 0.00 0.01 0.00 0.00 72.50 72.27 2kwc s THR 108 CO 0.00 0.04 0.07 -0.72 -0.69 0.00 0.00 174.62 173.32 2kwc s TYR 109 N 0.68 3.23 -0.19 4.92 -0.85 -1.25 -0.93 117.35 122.96 2kwc s TYR 109 Ca -0.05 0.15 -0.07 0.00 -0.52 0.00 0.00 57.07 56.58 2kwc s TYR 109 Cb -0.06 -1.69 0.08 0.00 0.38 0.00 0.00 41.96 40.67 2kwc s TYR 109 CO -0.04 0.53 0.41 -1.54 -1.52 0.00 0.00 175.55 173.40 2kwc s SER 110 N -1.94 -0.29 0.49 -0.18 1.04 -0.45 -2.47 113.70 109.90 2kwc s SER 110 Ca 0.25 0.95 0.35 0.00 0.48 0.00 0.00 55.95 57.97 2kwc s SER 110 Cb -0.12 1.17 1.48 0.00 0.10 0.00 0.00 66.02 68.65 2kwc s SER 110 CO 0.16 -0.22 1.69 1.23 0.98 0.00 0.00 173.24 177.08 2kwc h GLY 111 N 7.91 0.62 -2.29 7.32 0.00 -1.85 -1.89 103.07 112.89 2kwc h GLY 111 Ca -0.21 -0.07 -0.46 0.00 0.00 0.00 0.00 47.33 46.59 2kwc h GLY 111 CO 0.17 -0.15 -0.09 1.85 0.00 0.00 0.00 176.54 178.31 2kwc s GLU 112 N -5.13 3.17 -0.42 4.80 2.12 -1.26 -4.21 118.70 117.78 2kwc s GLU 112 Ca -0.06 -0.40 -0.03 0.00 0.36 0.00 0.00 54.97 54.84 2kwc s GLU 112 Cb 0.26 -2.56 0.13 0.00 0.26 0.00 0.00 34.13 32.23 2kwc s GLU 112 CO 0.83 -0.20 2.47 -1.71 -0.54 0.00 0.00 175.26 176.11 2kwc n ASN 113 N -2.05 6.53 -4.72 -1.70 2.85 -1.26 -4.41 115.26 110.49 2kwc n ASN 113 Ca 0.00 -3.18 -0.37 0.00 -0.11 0.00 0.00 54.58 50.92 2kwc n ASN 113 Cb 0.57 -1.16 -0.06 0.00 1.24 0.00 0.00 39.78 40.37 2kwc n ASN 113 CO 0.00 0.00 0.00 0.42 -2.11 0.00 0.00 177.26 175.57 2kwc s THR 114 N -2.39 5.25 -2.83 -0.44 -4.23 -1.26 -4.95 115.64 104.79 2kwc s THR 114 Ca 0.49 0.76 0.25 0.00 -1.18 0.00 0.00 61.69 62.02 2kwc s THR 114 Cb 0.34 -3.73 0.31 0.00 1.34 0.00 0.00 72.50 70.76 2kwc s THR 114 CO -0.14 0.35 1.42 0.49 -0.54 0.00 0.00 174.62 176.21 2kwc n PHE 115 N 3.64 0.00 0.00 3.99 3.01 -1.26 -4.95 117.46 121.89 2kwc n PHE 115 Ca -0.09 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.37 2kwc n PHE 115 Cb 0.52 -0.00 0.00 0.00 -0.01 0.00 0.00 39.48 39.99 2kwc n PHE 115 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18