#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 -3.61 3.17 2.85 -1.26 -4.96 118.16 114.35 2kwc n LYS 2 Ca 0.00 0.00 -0.29 0.00 -1.05 0.00 0.00 58.31 56.97 2kwc n LYS 2 Cb 0.00 -0.57 -0.13 0.00 -0.65 0.00 0.00 35.03 33.68 2kwc n LYS 2 CO 0.00 0.00 0.00 -1.54 -0.05 0.00 0.00 177.40 175.81 2kwc s SER 3 N -4.61 3.38 -0.04 -5.58 1.04 -1.26 -4.67 113.70 101.97 2kwc s SER 3 Ca 0.00 -2.39 0.17 0.00 0.48 0.00 0.00 55.95 54.21 2kwc s SER 3 Cb 0.00 -0.76 -0.21 0.00 0.10 0.00 0.00 66.02 65.16 2kwc s SER 3 CO 0.00 -0.29 0.56 0.35 0.98 0.00 0.00 173.24 174.84 2kwc n THR 4 N 3.82 1.17 0.27 2.02 -2.24 -1.26 -4.03 114.28 114.04 2kwc n THR 4 Ca 0.09 -0.73 0.18 0.00 -2.27 0.00 0.00 64.05 61.32 2kwc n THR 4 Cb 0.36 -0.63 0.94 0.00 -2.10 0.00 0.00 70.33 68.90 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 0.78 4.78 -0.00 -1.91 1.14 116.94 121.73 2kwc h PHE 5 Ca -0.27 0.00 -0.04 0.00 -0.00 0.00 0.00 57.97 57.67 2kwc h PHE 5 Cb 1.76 0.00 0.01 0.00 -0.00 0.00 0.00 35.95 37.72 2kwc h PHE 5 CO 0.00 0.00 -0.38 -0.22 -0.00 0.00 0.00 178.31 177.71 2kwc h LYS 6 N 0.00 -1.01 0.00 6.09 3.11 -1.76 -2.66 116.57 120.34 2kwc h LYS 6 Ca 0.04 0.07 0.00 0.00 -2.81 0.00 0.00 60.65 57.95 2kwc h LYS 6 Cb 0.33 0.23 0.00 0.00 -1.00 0.00 0.00 32.23 31.79 2kwc h LYS 6 CO -0.00 -0.68 -0.73 0.45 -2.81 0.00 0.00 179.45 175.69 2kwc n SER 7 N -5.54 1.84 -0.67 4.20 2.88 -0.78 -4.26 113.62 111.29 2kwc n SER 7 Ca -0.15 0.49 0.50 0.00 -1.33 0.00 0.00 58.87 58.39 2kwc n SER 7 Cb 0.42 -0.81 0.77 0.00 -0.75 0.00 0.00 64.21 63.85 2kwc n SER 7 CO 0.00 0.00 0.00 1.21 -1.23 0.00 0.00 175.04 175.02 2kwc n GLU 8 N -4.51 -0.00 -3.74 -1.46 2.13 0.39 -2.80 120.64 110.64 2kwc n GLU 8 Ca -0.10 1.02 -0.30 0.00 0.66 0.00 0.00 57.16 58.44 2kwc n GLU 8 Cb 0.38 -2.36 -0.14 0.00 0.27 0.00 0.00 31.44 29.59 2kwc n GLU 8 CO 0.00 0.00 0.00 0.71 -0.41 0.00 0.00 177.13 177.43 2kwc s TYR 9 N -4.75 1.90 0.77 4.31 2.02 -1.00 -4.96 117.35 115.64 2kwc s TYR 9 Ca -0.05 -1.98 -0.11 0.00 -0.37 0.00 0.00 57.07 54.56 2kwc s TYR 9 Cb 0.25 -1.83 0.06 0.00 -0.40 0.00 0.00 41.96 40.04 2kwc s TYR 9 CO 0.84 -0.86 1.09 -1.25 -1.57 0.00 0.00 175.55 173.80 2kwc s PRO 10 N 1.27 2.28 0.00 -1.71 0.04 -1.12 -4.37 135.00 131.39 2kwc s PRO 10 Ca 0.12 0.71 0.00 0.00 0.04 0.00 0.00 61.00 61.87 2kwc s PRO 10 Cb -0.19 -1.93 0.00 0.00 0.04 0.00 0.00 34.50 32.41 2kwc s PRO 10 CO -0.18 -1.50 0.78 0.34 0.04 0.00 0.00 177.00 176.48 2kwc n PHE 11 N -3.36 0.00 -0.35 0.56 7.35 -1.26 -0.86 117.46 119.54 2kwc n PHE 11 Ca 0.07 0.00 -0.09 0.00 -0.76 0.00 0.00 57.45 56.67 2kwc n PHE 11 Cb 0.56 -0.28 -0.08 0.00 0.35 0.00 0.00 39.48 40.02 2kwc n PHE 11 CO 0.00 0.00 0.00 -1.91 -0.76 0.00 0.00 176.76 174.09 2kwc n GLU 12 N -1.56 -0.37 -0.21 -4.13 2.13 -1.26 -0.37 120.64 114.87 2kwc n GLU 12 Ca 0.00 1.32 -0.08 0.00 0.66 0.00 0.00 57.16 59.05 2kwc n GLU 12 Cb 0.00 -1.94 -0.07 0.00 0.27 0.00 0.00 31.44 29.70 2kwc n GLU 12 CO 0.00 0.00 0.00 -0.22 -0.41 0.00 0.00 177.13 176.50 2kwc h LYS 13 N 0.00 -0.11 -0.52 5.31 1.63 -1.94 0.21 116.57 121.15 2kwc h LYS 13 Ca 0.13 0.01 0.08 0.00 -0.85 0.00 0.00 60.65 60.02 2kwc h LYS 13 Cb 0.34 0.03 -0.10 0.00 -0.60 0.00 0.00 32.23 31.90 2kwc h LYS 13 CO -0.79 -0.07 -0.46 0.00 -3.45 0.00 0.00 179.45 174.67 2kwc h ARG 14 N -0.12 -0.27 -1.14 1.90 3.08 0.13 1.05 114.38 119.01 2kwc h ARG 14 Ca 0.09 0.02 0.32 0.00 0.07 0.00 0.00 59.98 60.47 2kwc h ARG 14 Cb 0.34 0.06 -0.07 0.00 0.08 0.00 0.00 29.97 30.38 2kwc h ARG 14 CO -0.55 -0.18 0.78 -0.22 -1.07 0.00 0.00 179.97 178.73 2kwc h LYS 15 N -0.28 0.15 -0.41 0.04 3.64 0.11 1.35 116.57 121.17 2kwc h LYS 15 Ca 0.15 -0.01 -0.14 0.00 -1.27 0.00 0.00 60.65 59.38 2kwc h LYS 15 Cb 0.57 -0.03 -0.01 0.00 -0.41 0.00 0.00 32.23 32.34 2kwc h LYS 15 CO -0.65 0.10 -0.29 0.00 -2.27 0.00 0.00 179.45 176.34 2kwc h ALA 16 N 1.50 0.71 -0.13 5.00 0.00 0.41 -2.11 119.26 124.65 2kwc h ALA 16 Ca 0.59 -0.41 0.04 0.00 0.00 0.00 0.00 54.91 55.13 2kwc h ALA 16 Cb 2.00 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 19.64 2kwc h ALA 16 CO -0.15 0.67 0.12 1.49 0.00 0.00 0.00 179.25 181.38 2kwc h GLU 17 N 0.76 0.00 0.00 0.00 4.81 0.33 0.29 114.58 120.77 2kwc h GLU 17 Ca 0.09 0.00 -0.03 0.00 -0.13 0.00 0.00 59.36 59.29 2kwc h GLU 17 Cb 0.85 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 30.23 2kwc h GLU 17 CO 0.07 0.00 -0.84 1.03 -0.73 0.00 0.00 179.01 178.54 2kwc h SER 18 N 0.00 0.00 -0.14 1.04 0.87 -0.97 -3.05 113.55 111.29 2kwc h SER 18 Ca 0.06 0.00 -0.19 0.00 -1.23 0.00 0.00 61.79 60.43 2kwc h SER 18 Cb 0.30 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.26 2kwc h SER 18 CO -0.00 0.11 -0.63 -0.33 -0.53 0.00 0.00 176.83 175.45 2kwc h GLU 19 N 0.00 0.75 -0.05 2.24 4.39 0.20 -2.37 114.58 119.74 2kwc h GLU 19 Ca -0.02 -0.52 -0.16 0.00 0.34 0.00 0.00 59.36 59.00 2kwc h GLU 19 Cb 1.10 0.08 0.01 0.00 -0.10 0.00 0.00 28.75 29.84 2kwc h GLU 19 CO 0.01 1.15 -0.58 0.07 -1.16 0.00 0.00 179.01 178.49 2kwc h ARG 20 N 0.56 0.49 0.00 2.33 0.11 -1.44 -2.64 114.38 113.79 2kwc h ARG 20 Ca -0.01 -0.46 -0.00 0.00 0.10 0.00 0.00 59.98 59.61 2kwc h ARG 20 Cb 1.23 0.11 -0.00 0.00 1.11 0.00 0.00 29.97 32.42 2kwc h ARG 20 CO 0.13 1.09 -0.01 0.82 0.10 0.00 0.00 179.97 182.11 2kwc h ILE 21 N 0.05 0.13 0.03 0.08 2.04 -1.56 0.91 117.51 119.18 2kwc h ILE 21 Ca -0.06 -0.06 -0.24 0.00 1.00 0.00 0.00 64.86 65.50 2kwc h ILE 21 Cb 1.26 1.05 -0.03 0.00 -0.74 0.00 0.00 36.82 38.36 2kwc h ILE 21 CO 0.12 0.01 -1.24 0.00 0.00 0.00 0.00 178.15 177.03 2kwc h ALA 22 N 1.99 0.41 0.00 1.87 0.00 -1.26 0.51 119.26 122.78 2kwc h ALA 22 Ca -0.00 -1.05 0.00 0.00 0.00 0.00 0.00 54.91 53.86 2kwc h ALA 22 Cb 0.05 0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.89 2kwc h ALA 22 CO 0.00 1.29 -0.69 -3.47 0.00 0.00 0.00 179.25 176.38 2kwc n ASP 23 N -3.31 0.69 -0.07 0.00 -0.08 0.46 -3.82 116.55 110.42 2kwc n ASP 23 Ca -0.06 0.08 -0.07 0.00 -1.51 0.00 0.00 54.79 53.22 2kwc n ASP 23 Cb 0.98 0.25 -0.02 0.00 2.34 0.00 0.00 41.12 44.67 2kwc n ASP 23 CO 0.00 0.00 0.00 -1.14 0.12 0.00 0.00 177.20 176.18 2kwc n ARG 24 N -2.10 0.42 -3.53 -0.67 3.00 0.29 -4.93 116.66 109.14 2kwc n ARG 24 Ca 0.03 0.17 -0.29 0.00 -0.00 0.00 0.00 57.85 57.76 2kwc n ARG 24 Cb 0.44 -1.24 -0.12 0.00 0.00 0.00 0.00 32.46 31.54 2kwc n ARG 24 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.63 177.57 2kwc s PHE 25 N -2.59 1.08 -1.93 -0.14 0.08 0.18 -4.95 117.98 109.70 2kwc s PHE 25 Ca -0.23 -1.85 0.24 0.00 0.12 0.00 0.00 56.93 55.21 2kwc s PHE 25 Cb 0.03 -1.19 1.40 0.00 -0.57 0.00 0.00 43.02 42.69 2kwc s PHE 25 CO 0.34 -0.82 1.80 -0.35 -0.10 0.00 0.00 175.22 176.09 2kwc n PRO 26 N 3.90 0.70 -0.33 0.24 -0.04 -1.07 -1.95 135.00 136.47 2kwc n PRO 26 Ca 0.11 0.01 0.08 0.00 -0.04 0.00 0.00 63.50 63.66 2kwc n PRO 26 Cb 0.36 -1.50 0.23 0.00 -0.04 0.00 0.00 33.50 32.56 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 -1.03 3.57 -5.03 3.54 3.02 -1.26 -4.98 115.26 113.09 2kwc n ASN 27 Ca 0.17 -2.22 -0.19 0.00 -0.03 0.00 0.00 54.58 52.31 2kwc n ASN 27 Cb 0.09 -0.38 0.04 0.00 -0.61 0.00 0.00 39.78 38.92 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 -1.40 2.49 -0.33 3.52 1.81 -0.82 -2.88 118.95 121.34 2kwc s ARG 28 Ca 0.35 -1.50 -0.01 0.00 -1.72 0.00 0.00 55.73 52.85 2kwc s ARG 28 Cb 0.21 -2.68 0.11 0.00 -0.45 0.00 0.00 34.95 32.14 2kwc s ARG 28 CO 0.19 -0.65 0.15 0.42 -0.68 0.00 0.00 175.30 174.74 2kwc s ILE 29 N -2.56 0.47 -1.18 1.52 1.01 0.49 -4.82 121.20 116.13 2kwc s ILE 29 Ca 0.59 -1.41 -0.21 0.00 0.00 0.00 0.00 60.65 59.62 2kwc s ILE 29 Cb -0.07 -1.36 -0.00 0.00 0.01 0.00 0.00 42.46 41.04 2kwc s ILE 29 CO 0.37 -0.79 1.80 -2.16 0.00 0.00 0.00 174.94 174.15 2kwc s PRO 30 N 1.49 3.22 -0.08 2.79 0.04 -1.26 -1.96 135.00 139.23 2kwc s PRO 30 Ca 0.12 -1.39 -0.22 0.00 0.04 0.00 0.00 61.00 59.55 2kwc s PRO 30 Cb -0.19 -5.35 -0.04 0.00 0.04 0.00 0.00 34.50 28.96 2kwc s PRO 30 CO -0.20 -3.03 0.65 0.08 0.04 0.00 0.00 177.00 174.54 2kwc s VAL 31 N 7.54 5.08 -0.35 -0.36 1.01 -0.01 -3.25 120.40 130.06 2kwc s VAL 31 Ca 0.60 1.32 -0.06 0.00 0.00 0.00 0.00 61.98 63.85 2kwc s VAL 31 Cb 0.01 -3.99 0.06 0.00 0.00 0.00 0.00 36.38 32.45 2kwc s VAL 31 CO 0.07 0.26 0.13 -0.51 0.00 0.00 0.00 175.10 175.05 2kwc s ILE 32 N 0.80 3.67 -0.17 2.22 1.10 -1.17 -0.47 121.20 127.18 2kwc s ILE 32 Ca 0.35 -1.32 -0.14 0.00 -0.51 0.00 0.00 60.65 59.02 2kwc s ILE 32 Cb -0.17 -3.16 -0.05 0.00 0.15 0.00 0.00 42.46 39.23 2kwc s ILE 32 CO 0.16 -0.28 0.32 0.00 -2.11 0.00 0.00 174.94 173.03 2kwc s GLU 34 N 0.62 3.16 0.27 0.00 2.02 0.92 -4.65 118.70 121.04 2kwc s GLU 34 Ca 0.17 -0.76 -0.31 0.00 0.02 0.00 0.00 54.97 54.09 2kwc s GLU 34 Cb -0.13 -2.97 -0.12 0.00 0.10 0.00 0.00 34.13 31.01 2kwc s GLU 34 CO 0.05 -0.27 1.61 1.17 0.02 0.00 0.00 175.26 177.84 2kwc n LYS 35 N 4.74 2.65 -1.98 1.61 0.00 -1.26 -3.01 118.16 120.90 2kwc n LYS 35 Ca -0.18 0.95 -0.42 0.00 0.00 0.00 0.00 58.31 58.65 2kwc n LYS 35 Cb 0.49 -2.73 -0.03 0.00 0.00 0.00 0.00 35.03 32.76 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 0.29 3.58 0.34 3.14 0.00 -0.97 -4.85 121.76 123.29 2kwc s ALA 36 Ca 0.67 0.93 0.14 0.00 0.00 0.00 0.00 51.96 53.71 2kwc s ALA 36 Cb -0.52 -3.77 1.06 0.00 0.00 0.00 0.00 23.12 19.90 2kwc s ALA 36 CO 0.45 -1.47 1.68 1.05 0.00 0.00 0.00 175.76 177.47 2kwc h GLU 37 N 9.77 0.37 -0.36 0.00 4.11 -1.90 1.40 114.58 127.97 2kwc h GLU 37 Ca -0.40 -0.02 -0.11 0.00 0.07 0.00 0.00 59.36 58.90 2kwc h GLU 37 Cb 1.18 -0.08 -0.01 0.00 0.50 0.00 0.00 28.75 30.33 2kwc h GLU 37 CO 0.96 0.24 -0.23 0.87 0.07 0.00 0.00 179.01 180.92 2kwc h LYS 38 N 0.38 0.72 -5.84 1.06 1.57 -1.98 -3.45 116.57 109.04 2kwc h LYS 38 Ca 0.71 -0.29 -0.72 0.00 -1.87 0.00 0.00 60.65 58.48 2kwc h LYS 38 Cb 1.60 -0.03 0.07 0.00 0.08 0.00 0.00 32.23 33.95 2kwc h LYS 38 CO -0.55 0.89 -0.18 0.45 -0.57 0.00 0.00 179.45 179.49 2kwc n SER 39 N -4.11 -0.51 -1.96 0.86 2.88 0.48 -4.80 113.62 106.46 2kwc n SER 39 Ca -0.00 1.12 -0.14 0.00 -1.33 0.00 0.00 58.87 58.51 2kwc n SER 39 Cb 0.43 -0.91 0.20 0.00 -0.75 0.00 0.00 64.21 63.18 2kwc n SER 39 CO 0.00 0.00 0.00 -0.67 -1.23 0.00 0.00 175.04 173.14 2kwc n ASP 40 N 1.66 3.96 -4.98 -3.46 4.64 -1.26 -4.93 116.55 112.19 2kwc n ASP 40 Ca 0.19 -3.23 -0.20 0.00 -1.38 0.00 0.00 54.79 50.16 2kwc n ASP 40 Cb 0.15 -0.76 -0.01 0.00 -1.04 0.00 0.00 41.12 39.45 2kwc n ASP 40 CO 0.00 0.00 0.00 0.27 -0.82 0.00 0.00 177.20 176.65 2kwc s ILE 41 N -2.73 4.76 0.15 5.18 -4.36 -1.26 -5.05 121.20 117.89 2kwc s ILE 41 Ca 0.48 -0.99 -0.30 0.00 -0.26 0.00 0.00 60.65 59.58 2kwc s ILE 41 Cb 0.40 -3.67 -0.07 0.00 1.25 0.00 0.00 42.46 40.36 2kwc s ILE 41 CO 0.10 -0.26 1.13 -2.16 0.24 0.00 0.00 174.94 173.99 2kwc s PRO 42 N -4.06 4.54 1.20 0.37 0.04 -1.26 -5.02 135.00 130.81 2kwc s PRO 42 Ca 0.39 1.74 -0.14 0.00 0.04 0.00 0.00 61.00 63.03 2kwc s PRO 42 Cb -0.09 -3.29 0.30 0.00 0.04 0.00 0.00 34.50 31.46 2kwc s PRO 42 CO 0.30 -0.02 1.02 -2.00 0.04 0.00 0.00 177.00 176.34 2kwc s GLU 43 N -0.03 -1.20 0.45 4.56 2.12 -1.26 -4.89 118.70 118.45 2kwc s GLU 43 Ca 0.52 0.70 0.05 0.00 0.36 0.00 0.00 54.97 56.60 2kwc s GLU 43 Cb -0.30 -1.53 -0.05 0.00 0.26 0.00 0.00 34.13 32.51 2kwc s GLU 43 CO 0.34 -3.88 0.03 0.96 -0.54 0.00 0.00 175.26 172.18 2kwc s ILE 44 N -2.46 1.69 0.04 -3.70 -4.36 -1.26 -4.90 121.20 106.24 2kwc s ILE 44 Ca 0.68 -1.96 -0.30 0.00 -0.26 0.00 0.00 60.65 58.81 2kwc s ILE 44 Cb -0.24 -2.65 -0.17 0.00 1.25 0.00 0.00 42.46 40.66 2kwc s ILE 44 CO 0.64 0.00 1.41 0.44 0.24 0.00 0.00 174.94 177.67 2kwc h ASP 45 N 1.55 -0.91 -5.24 4.36 3.32 -1.97 -3.46 116.42 114.06 2kwc h ASP 45 Ca -0.44 0.03 -0.10 0.00 0.02 0.00 0.00 57.03 56.54 2kwc h ASP 45 Cb 1.27 0.24 -0.13 0.00 0.22 0.00 0.00 39.33 40.93 2kwc h ASP 45 CO 0.77 -0.64 -0.36 -1.59 -1.72 0.00 0.00 179.24 175.69 2kwc s LYS 46 N -5.30 1.03 -0.51 3.56 -2.85 -1.26 -5.12 119.74 109.29 2kwc s LYS 46 Ca -0.16 -1.12 -0.14 0.00 -1.00 0.00 0.00 55.97 53.55 2kwc s LYS 46 Cb 0.02 0.35 0.11 0.00 -2.06 0.00 0.00 37.83 36.26 2kwc s LYS 46 CO 0.47 -0.36 0.44 1.03 0.10 0.00 0.00 175.35 177.03 2kwc s ARG 47 N -3.94 2.86 -0.27 1.78 0.52 -1.26 -5.01 118.95 113.64 2kwc s ARG 47 Ca 0.13 -1.64 -0.18 0.00 -0.52 0.00 0.00 55.73 53.52 2kwc s ARG 47 Cb 0.04 -4.17 0.08 0.00 0.52 0.00 0.00 34.95 31.42 2kwc s ARG 47 CO -0.04 -1.23 0.68 0.21 0.02 0.00 0.00 175.30 174.95 2kwc s LYS 48 N 1.55 0.73 -0.34 3.54 2.36 -1.26 -4.65 119.74 121.68 2kwc s LYS 48 Ca 0.04 1.13 0.01 0.00 -2.55 0.00 0.00 55.97 54.60 2kwc s LYS 48 Cb -0.28 0.22 0.14 0.00 -1.05 0.00 0.00 37.83 36.86 2kwc s LYS 48 CO 0.03 -0.13 0.31 0.71 1.55 0.00 0.00 175.35 177.81 2kwc s TYR 49 N 1.23 -0.14 -0.74 4.03 2.02 0.38 -4.94 117.35 119.18 2kwc s TYR 49 Ca -0.07 -0.76 -0.21 0.00 -0.37 0.00 0.00 57.07 55.67 2kwc s TYR 49 Cb -0.05 -0.54 0.10 0.00 -0.40 0.00 0.00 41.96 41.07 2kwc s TYR 49 CO -0.13 -0.92 0.97 -0.51 -1.57 0.00 0.00 175.55 173.39 2kwc s LEU 50 N 1.70 4.80 0.13 -1.29 1.43 -1.26 -0.83 118.68 123.37 2kwc s LEU 50 Ca 0.14 -1.44 0.07 0.00 -1.03 0.00 0.00 54.13 51.87 2kwc s LEU 50 Cb -0.16 -2.39 -0.04 0.00 0.03 0.00 0.00 46.19 43.63 2kwc s LEU 50 CO -0.14 -1.25 -0.05 0.68 0.23 0.00 0.00 176.35 175.81 2kwc s VAL 51 N 3.33 3.55 0.98 -1.59 -7.23 -0.83 -4.85 120.40 113.76 2kwc s VAL 51 Ca 0.24 -1.32 -0.14 0.00 -1.81 0.00 0.00 61.98 58.95 2kwc s VAL 51 Cb -0.14 -2.72 0.18 0.00 0.56 0.00 0.00 36.38 34.26 2kwc s VAL 51 CO 0.03 0.02 1.17 -2.16 -0.31 0.00 0.00 175.10 173.85 2kwc s PRO 52 N -2.51 0.59 -0.04 4.82 0.04 -1.26 0.18 135.00 136.82 2kwc s PRO 52 Ca 0.24 0.08 0.07 0.00 0.04 0.00 0.00 61.00 61.43 2kwc s PRO 52 Cb -0.10 -1.79 0.26 0.00 0.04 0.00 0.00 34.50 32.91 2kwc s PRO 52 CO 0.16 -2.53 1.10 0.00 0.04 0.00 0.00 177.00 175.77 2kwc n ALA 53 N -3.96 2.69 -0.22 8.56 0.00 -1.14 -2.99 120.51 123.45 2kwc n ALA 53 Ca 0.10 -0.57 0.00 0.00 0.00 0.00 0.00 53.44 52.97 2kwc n ALA 53 Cb 0.59 -1.01 0.00 0.00 0.00 0.00 0.00 19.45 19.04 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 0.26 1.35 -4.93 0.00 -0.08 -1.26 -4.25 116.55 107.64 2kwc n ASP 54 Ca 0.09 -1.57 -0.27 0.00 -1.51 0.00 0.00 54.79 51.54 2kwc n ASP 54 Cb 0.38 0.00 -0.03 0.00 2.34 0.00 0.00 41.12 43.81 2kwc n ASP 54 CO 0.00 0.00 0.00 -0.22 0.12 0.00 0.00 177.20 177.10 2kwc s LEU 55 N -0.57 4.21 0.17 -2.67 0.20 -1.16 -4.99 118.68 113.88 2kwc s LEU 55 Ca 0.00 0.40 0.06 0.00 0.69 0.00 0.00 54.13 55.28 2kwc s LEU 55 Cb 0.00 -3.18 -0.04 0.00 -0.43 0.00 0.00 46.19 42.55 2kwc s LEU 55 CO 0.00 -0.07 0.06 0.42 -0.29 0.00 0.00 176.35 176.47 2kwc s THR 56 N -1.91 4.03 0.34 3.68 -4.23 -1.26 -1.42 115.64 114.86 2kwc s THR 56 Ca 0.38 -1.30 0.11 0.00 -1.18 0.00 0.00 61.69 59.71 2kwc s THR 56 Cb -0.11 -3.04 0.33 0.00 1.34 0.00 0.00 72.50 71.02 2kwc s THR 56 CO 0.29 -0.12 1.75 0.58 -0.54 0.00 0.00 174.62 176.59 2kwc h VAL 57 N 2.27 0.57 -0.99 2.29 2.07 -1.16 0.11 116.25 121.42 2kwc h VAL 57 Ca -0.47 -0.20 0.23 0.00 0.82 0.00 0.00 66.70 67.08 2kwc h VAL 57 Cb 1.20 -0.05 -0.19 0.00 -1.52 0.00 0.00 31.29 30.74 2kwc h VAL 57 CO 0.60 0.10 -0.15 1.23 0.02 0.00 0.00 177.57 179.38 2kwc h GLY 58 N 0.57 0.92 0.78 2.17 0.00 -0.61 0.53 103.07 107.42 2kwc h GLY 58 Ca 0.61 0.26 -0.01 0.00 0.00 0.00 0.00 47.33 48.20 2kwc h GLY 58 CO -0.40 -0.43 0.01 1.46 0.00 0.00 0.00 176.54 177.18 2kwc h GLN 59 N 0.00 0.08 -0.52 4.80 1.08 -1.23 -2.38 115.11 116.93 2kwc h GLN 59 Ca 0.52 -0.02 0.10 0.00 -1.45 0.00 0.00 58.65 57.81 2kwc h GLN 59 Cb 0.92 -0.01 -0.10 0.00 -0.05 0.00 0.00 27.48 28.23 2kwc h GLN 59 CO -0.99 0.29 -0.21 0.35 -0.95 0.00 0.00 178.83 177.33 2kwc h PHE 60 N -0.15 -0.52 0.00 2.96 3.57 -0.01 1.21 116.94 123.99 2kwc h PHE 60 Ca 0.01 0.05 -0.00 0.00 3.53 0.00 0.00 57.97 61.57 2kwc h PHE 60 Cb 0.25 0.31 -0.00 0.00 2.79 0.00 0.00 35.95 39.30 2kwc h PHE 60 CO 0.01 -0.30 -0.02 0.28 -2.23 0.00 0.00 178.31 176.05 2kwc h VAL 61 N -0.09 0.18 0.10 1.41 2.07 -0.78 -2.75 116.25 116.40 2kwc h VAL 61 Ca 0.24 -0.18 -0.01 0.00 0.82 0.00 0.00 66.70 67.58 2kwc h VAL 61 Cb 0.47 1.15 0.00 0.00 -1.52 0.00 0.00 31.29 31.39 2kwc h VAL 61 CO -0.58 0.02 -0.05 0.22 0.02 0.00 0.00 177.57 177.20 2kwc h TYR 62 N 0.00 -0.13 -0.99 1.57 3.20 0.18 -3.07 116.97 117.73 2kwc h TYR 62 Ca -0.00 -0.00 0.33 0.00 3.14 0.00 0.00 58.73 62.20 2kwc h TYR 62 Cb 0.15 0.04 -0.18 0.00 1.54 0.00 0.00 36.73 38.28 2kwc h TYR 62 CO 0.00 -0.08 0.24 -0.39 -1.64 0.00 0.00 178.16 176.29 2kwc h VAL 63 N -0.86 0.02 0.40 1.81 -1.51 -0.32 0.75 116.25 116.54 2kwc h VAL 63 Ca -0.01 -0.01 -0.01 0.00 -1.23 0.00 0.00 66.70 65.44 2kwc h VAL 63 Cb 0.11 0.00 -0.02 0.00 -2.13 0.00 0.00 31.29 29.25 2kwc h VAL 63 CO 0.02 0.00 -0.38 0.40 -1.23 0.00 0.00 177.57 176.39 2kwc h ILE 64 N 0.02 0.23 -0.55 7.19 5.03 -1.59 0.13 117.51 127.97 2kwc h ILE 64 Ca 0.70 0.00 0.16 0.00 -0.12 0.00 0.00 64.86 65.60 2kwc h ILE 64 Cb 1.64 0.23 -0.02 0.00 -3.03 0.00 0.00 36.82 35.64 2kwc h ILE 64 CO -0.85 0.00 0.76 -0.09 -0.68 0.00 0.00 178.15 177.29 2kwc h ARG 65 N -0.80 0.00 0.10 2.37 2.43 0.59 0.83 114.38 119.91 2kwc h ARG 65 Ca -0.03 0.00 -0.21 0.00 -0.81 0.00 0.00 59.98 58.93 2kwc h ARG 65 Cb 0.70 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.26 2kwc h ARG 65 CO -0.05 0.00 -1.03 0.87 -1.51 0.00 0.00 179.97 178.25 2kwc h LYS 66 N 0.00 0.22 -0.13 0.20 1.79 -0.09 0.93 116.57 119.48 2kwc h LYS 66 Ca 0.26 -0.37 0.04 0.00 -2.18 0.00 0.00 60.65 58.40 2kwc h LYS 66 Cb 1.77 0.14 -0.01 0.00 -1.58 0.00 0.00 32.23 32.55 2kwc h LYS 66 CO -0.00 1.18 0.13 0.00 -1.08 0.00 0.00 179.45 179.68 2kwc h ARG 67 N -0.46 0.00 0.00 3.15 2.47 0.30 -0.30 114.38 119.54 2kwc h ARG 67 Ca -0.22 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.50 2kwc h ARG 67 Cb 1.60 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 29.92 2kwc h ARG 67 CO 0.06 0.00 -0.51 0.44 0.56 0.00 0.00 179.97 180.53 2kwc n ILE 68 N -3.95 0.00 -4.30 2.04 -5.35 -0.08 -4.77 119.36 102.94 2kwc n ILE 68 Ca 0.00 -0.28 -0.34 0.00 -0.27 0.00 0.00 62.75 61.87 2kwc n ILE 68 Cb 0.25 0.95 -0.07 0.00 -1.74 0.00 0.00 39.64 39.03 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 -1.26 -1.60 -1.04 6.28 0.00 0.32 -4.88 117.12 114.94 2kwc n MET 69 Ca 0.02 0.20 -0.31 0.00 0.00 0.00 0.00 57.70 57.60 2kwc n MET 69 Cb 0.15 -4.26 0.13 0.00 0.00 0.00 0.00 33.22 29.24 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 -7.26 2.85 0.88 3.17 1.02 -0.76 -5.00 118.68 113.57 2kwc s LEU 70 Ca 0.33 1.92 -0.12 0.00 0.02 0.00 0.00 54.13 56.28 2kwc s LEU 70 Cb -0.19 -4.46 0.12 0.00 0.02 0.00 0.00 46.19 41.68 2kwc s LEU 70 CO 0.98 -2.51 1.12 -2.16 0.02 0.00 0.00 176.35 173.80 2kwc s PRO 71 N -4.81 1.43 0.00 1.29 0.04 -1.26 -4.92 135.00 126.77 2kwc s PRO 71 Ca 0.63 0.40 0.24 0.00 0.04 0.00 0.00 61.00 62.31 2kwc s PRO 71 Cb -0.19 -1.86 1.42 0.00 0.04 0.00 0.00 34.50 33.91 2kwc s PRO 71 CO 0.57 -2.02 1.79 -0.35 0.04 0.00 0.00 177.00 177.03 2kwc n PRO 72 N -3.66 0.75 -0.07 0.56 -0.04 -1.26 -2.65 135.00 128.63 2kwc n PRO 72 Ca 0.07 0.00 -0.15 0.00 -0.04 0.00 0.00 63.50 63.38 2kwc n PRO 72 Cb 0.58 -1.50 -0.14 0.00 -0.04 0.00 0.00 33.50 32.41 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 -1.00 0.68 -0.80 0.54 0.28 -1.26 -4.96 120.64 114.13 2kwc n GLU 73 Ca 0.18 0.17 -0.29 0.00 -0.16 0.00 0.00 57.16 57.05 2kwc n GLU 73 Cb 0.08 -1.62 0.20 0.00 1.43 0.00 0.00 31.44 31.53 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 -2.54 0.07 -0.18 3.44 1.02 -1.08 -5.05 119.74 115.42 2kwc s LYS 74 Ca -0.19 0.91 -0.04 0.00 0.02 0.00 0.00 55.97 56.67 2kwc s LYS 74 Cb 0.07 -1.66 0.09 0.00 -0.52 0.00 0.00 37.83 35.81 2kwc s LYS 74 CO 0.75 -3.08 0.22 0.00 -0.92 0.00 0.00 175.35 172.32 2kwc s ALA 75 N -2.67 -0.29 0.33 5.17 0.00 -1.26 -4.93 121.76 118.11 2kwc s ALA 75 Ca 0.67 0.36 0.07 0.00 0.00 0.00 0.00 51.96 53.06 2kwc s ALA 75 Cb -0.22 -1.24 -0.02 0.00 0.00 0.00 0.00 23.12 21.64 2kwc s ALA 75 CO 0.61 -1.08 0.35 -1.50 0.00 0.00 0.00 175.76 174.13 2kwc s ILE 76 N 2.33 3.73 -0.20 0.00 2.07 -1.26 -3.60 121.20 124.26 2kwc s ILE 76 Ca 0.06 -1.25 -0.21 0.00 -1.41 0.00 0.00 60.65 57.84 2kwc s ILE 76 Cb -0.15 -3.27 0.06 0.00 0.13 0.00 0.00 42.46 39.23 2kwc s ILE 76 CO -0.11 -0.17 0.59 -0.36 -1.91 0.00 0.00 174.94 172.98 2kwc s PHE 77 N -2.26 -0.64 0.47 3.50 0.08 0.53 -4.90 117.98 114.76 2kwc s PHE 77 Ca 0.42 1.52 -0.04 0.00 0.12 0.00 0.00 56.93 58.95 2kwc s PHE 77 Cb -0.07 0.23 -0.03 0.00 -0.57 0.00 0.00 43.02 42.58 2kwc s PHE 77 CO 0.28 -0.34 0.75 0.42 -0.10 0.00 0.00 175.22 176.24 2kwc s ILE 78 N 0.16 4.79 -0.19 0.64 -1.09 -1.26 -1.00 121.20 123.24 2kwc s ILE 78 Ca -0.01 0.05 -0.05 0.00 -2.23 0.00 0.00 60.65 58.41 2kwc s ILE 78 Cb -0.04 -3.81 0.09 0.00 -1.58 0.00 0.00 42.46 37.12 2kwc s ILE 78 CO 0.02 -0.75 0.33 -0.36 -1.23 0.00 0.00 174.94 172.95 2kwc s PHE 79 N -2.69 -0.62 -0.15 3.97 0.40 0.51 -4.58 117.98 114.82 2kwc s PHE 79 Ca 0.47 1.00 0.01 0.00 -0.60 0.00 0.00 56.93 57.81 2kwc s PHE 79 Cb -0.10 0.04 -0.00 0.00 0.51 0.00 0.00 43.02 43.46 2kwc s PHE 79 CO 0.43 -0.52 -0.17 0.14 0.70 0.00 0.00 175.22 175.81 2kwc s VAL 80 N 2.50 2.58 -1.18 -0.44 -7.23 -1.10 -0.85 120.40 114.68 2kwc s VAL 80 Ca 0.04 -0.81 -0.16 0.00 -1.81 0.00 0.00 61.98 59.25 2kwc s VAL 80 Cb -0.13 -2.07 -0.01 0.00 0.56 0.00 0.00 36.38 34.72 2kwc s VAL 80 CO -0.12 0.52 0.75 0.59 -0.31 0.00 0.00 175.10 176.53 2kwc n ASN 81 N 3.95 -4.40 -4.15 4.85 3.02 -1.26 -0.96 115.26 116.31 2kwc n ASN 81 Ca -0.19 -0.98 -0.30 0.00 -0.03 0.00 0.00 54.58 53.08 2kwc n ASN 81 Cb 0.52 -3.51 -0.05 0.00 -0.61 0.00 0.00 39.78 36.13 2kwc n ASN 81 CO 0.00 0.00 0.00 0.47 -2.62 0.00 0.00 177.26 175.11 2kwc n ASP 82 N -2.78 -0.51 -1.80 6.41 10.43 -1.26 -4.91 116.55 122.13 2kwc n ASP 82 Ca -0.14 -1.11 -0.07 0.00 2.57 0.00 0.00 54.79 56.04 2kwc n ASP 82 Cb 0.61 -2.45 -0.03 0.00 1.84 0.00 0.00 41.12 41.09 2kwc n ASP 82 CO 0.00 0.00 0.00 1.07 -1.07 0.00 0.00 177.20 177.20 2kwc n THR 83 N -4.43 0.00 -3.44 -3.53 5.66 -0.13 -5.03 114.28 103.38 2kwc n THR 83 Ca -0.22 -0.87 -0.23 0.00 -3.05 0.00 0.00 64.05 59.68 2kwc n THR 83 Cb 0.64 0.44 -0.11 0.00 -1.55 0.00 0.00 70.33 69.75 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 0.28 0.60 1.09 0.20 -1.26 -2.71 118.68 116.88 2kwc s LEU 84 Ca 0.14 -1.45 -0.15 0.00 0.69 0.00 0.00 54.13 53.37 2kwc s LEU 84 Cb 0.01 0.10 -0.03 0.00 -0.43 0.00 0.00 46.19 45.84 2kwc s LEU 84 CO 0.10 -0.35 1.05 -2.16 -0.29 0.00 0.00 176.35 174.70 2kwc s PRO 85 N 1.74 3.33 0.93 0.98 0.04 -1.26 -5.03 135.00 135.72 2kwc s PRO 85 Ca 0.13 1.13 -0.13 0.00 0.04 0.00 0.00 61.00 62.18 2kwc s PRO 85 Cb -0.17 -2.04 0.15 0.00 0.04 0.00 0.00 34.50 32.48 2kwc s PRO 85 CO -0.18 -0.80 1.15 -1.25 0.04 0.00 0.00 177.00 175.96 2kwc s PRO 86 N -4.24 0.98 0.00 0.56 0.04 -1.26 -4.93 135.00 126.15 2kwc s PRO 86 Ca 0.62 0.23 0.27 0.00 0.04 0.00 0.00 61.00 62.16 2kwc s PRO 86 Cb -0.15 -1.83 0.80 0.00 0.04 0.00 0.00 34.50 33.36 2kwc s PRO 86 CO 0.39 -2.29 1.62 -2.37 0.04 0.00 0.00 177.00 174.39 2kwc n THR 87 N -3.82 0.00 -0.03 1.26 5.66 -1.26 -3.50 114.28 112.59 2kwc n THR 87 Ca 0.07 -0.00 -0.09 0.00 -3.05 0.00 0.00 64.05 60.98 2kwc n THR 87 Cb 0.59 -0.05 -0.14 0.00 -1.55 0.00 0.00 70.33 69.19 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 -1.50 1.46 -1.41 1.79 0.00 -1.26 0.07 120.51 119.65 2kwc n ALA 88 Ca 0.06 -0.80 -0.47 0.00 0.00 0.00 0.00 53.44 52.22 2kwc n ALA 88 Cb 0.34 -0.79 -0.03 0.00 0.00 0.00 0.00 19.45 18.97 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 -2.60 -2.63 -2.55 0.00 0.00 -1.23 -4.58 120.51 106.93 2kwc n ALA 89 Ca -0.19 0.42 -0.38 0.00 0.00 0.00 0.00 53.44 53.29 2kwc n ALA 89 Cb 1.06 -1.64 -0.06 0.00 0.00 0.00 0.00 19.45 18.81 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 2.81 4.39 0.48 0.00 2.96 -1.26 -1.36 118.68 126.69 2kwc s LEU 90 Ca 0.63 1.05 0.32 0.00 -0.22 0.00 0.00 54.13 55.92 2kwc s LEU 90 Cb -0.90 -2.83 1.73 0.00 0.50 0.00 0.00 46.19 44.70 2kwc s LEU 90 CO 0.57 0.10 1.99 0.24 -1.32 0.00 0.00 176.35 177.93 2kwc h MET 91 N 5.79 0.00 -0.02 1.98 2.86 -1.52 0.11 114.93 124.14 2kwc h MET 91 Ca -0.45 0.00 -0.02 0.00 -2.06 0.00 0.00 59.70 57.17 2kwc h MET 91 Cb 1.20 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.86 2kwc h MET 91 CO 0.70 0.00 -0.08 1.03 1.06 0.00 0.00 176.91 179.62 2kwc h SER 92 N 0.00 0.10 -0.14 1.22 0.87 -1.80 -1.66 113.55 112.14 2kwc h SER 92 Ca 0.00 -0.66 -0.21 0.00 -1.23 0.00 0.00 61.79 59.69 2kwc h SER 92 Cb 0.04 -0.03 0.01 0.00 -0.44 0.00 0.00 62.40 61.98 2kwc h SER 92 CO 0.00 0.75 -0.73 0.00 -0.53 0.00 0.00 176.83 176.32 2kwc h ALA 93 N 0.36 0.27 0.27 6.23 0.00 -1.69 -1.17 119.26 123.53 2kwc h ALA 93 Ca -0.01 -0.58 0.01 0.00 0.00 0.00 0.00 54.91 54.33 2kwc h ALA 93 Cb 0.74 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.49 2kwc h ALA 93 CO 0.02 0.61 -0.38 0.82 0.00 0.00 0.00 179.25 180.32 2kwc h ILE 94 N 0.44 0.22 -0.15 0.00 1.08 -0.89 0.21 117.51 118.43 2kwc h ILE 94 Ca -0.05 0.00 -0.03 0.00 -0.39 0.00 0.00 64.86 64.39 2kwc h ILE 94 Cb 1.37 0.22 -0.01 0.00 -3.07 0.00 0.00 36.82 35.33 2kwc h ILE 94 CO 0.15 0.00 -0.05 0.22 -0.69 0.00 0.00 178.15 177.78 2kwc h TYR 95 N -0.71 0.22 0.00 1.37 3.20 -1.35 1.56 116.97 121.25 2kwc h TYR 95 Ca -0.01 -0.01 -0.06 0.00 3.14 0.00 0.00 58.73 61.79 2kwc h TYR 95 Cb 0.68 -0.07 -0.01 0.00 1.54 0.00 0.00 36.73 38.87 2kwc h TYR 95 CO -0.26 0.28 -0.27 1.96 -1.64 0.00 0.00 178.16 178.23 2kwc h GLN 96 N 0.21 0.00 -0.01 1.82 4.20 -0.14 0.61 115.11 121.80 2kwc h GLN 96 Ca 0.05 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.76 2kwc h GLN 96 Cb 0.24 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.02 2kwc h GLN 96 CO 0.01 0.27 -0.07 0.39 -0.67 0.00 0.00 178.83 178.76 2kwc n GLU 97 N -3.77 0.98 -0.19 1.46 1.02 0.64 -4.40 120.64 116.39 2kwc n GLU 97 Ca -0.01 -0.98 0.07 0.00 -0.02 0.00 0.00 57.16 56.21 2kwc n GLU 97 Cb 0.37 -1.17 0.09 0.00 -0.02 0.00 0.00 31.44 30.71 2kwc n GLU 97 CO 0.00 0.00 0.00 0.72 1.18 0.00 0.00 177.13 179.03 2kwc n HIS 98 N 0.34 0.00 -2.99 -0.32 8.25 0.52 -5.04 115.22 115.99 2kwc n HIS 98 Ca 0.06 -0.67 -0.40 0.00 -0.26 0.00 0.00 57.72 56.45 2kwc n HIS 98 Cb 0.25 -0.11 -0.06 0.00 1.12 0.00 0.00 29.99 31.19 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 -1.92 4.53 0.67 -0.41 2.36 0.21 -4.40 119.74 120.77 2kwc s LYS 99 Ca 0.21 1.11 0.05 0.00 -2.55 0.00 0.00 55.97 54.79 2kwc s LYS 99 Cb 0.18 -3.31 0.12 0.00 -1.05 0.00 0.00 37.83 33.77 2kwc s LYS 99 CO 0.02 0.43 0.92 0.34 1.55 0.00 0.00 175.35 178.61 2kwc s ASP 100 N -0.62 4.64 0.04 1.43 2.15 -1.25 -4.99 116.67 118.06 2kwc s ASP 100 Ca 0.37 -0.74 -0.27 0.00 0.43 0.00 0.00 52.55 52.34 2kwc s ASP 100 Cb -0.22 0.36 -0.15 0.00 -0.30 0.00 0.00 42.92 42.61 2kwc s ASP 100 CO 0.25 -1.69 1.31 0.11 -0.17 0.00 0.00 175.17 174.98 2kwc h LYS 101 N -0.22 -0.95 -0.76 4.34 1.57 -1.97 -2.96 116.57 115.61 2kwc h LYS 101 Ca -0.31 0.07 0.18 0.00 -1.87 0.00 0.00 60.65 58.71 2kwc h LYS 101 Cb 1.28 0.22 -0.12 0.00 0.08 0.00 0.00 32.23 33.68 2kwc h LYS 101 CO 0.39 -0.64 0.13 -0.44 -0.57 0.00 0.00 179.45 178.32 2kwc h ASP 102 N -1.07 -0.11 0.00 0.86 5.19 -2.01 -3.45 116.42 115.83 2kwc h ASP 102 Ca -0.10 0.17 0.00 0.00 -0.62 0.00 0.00 57.03 56.48 2kwc h ASP 102 Cb 0.76 0.26 0.00 0.00 0.18 0.00 0.00 39.33 40.53 2kwc h ASP 102 CO 0.17 -0.11 0.00 0.61 -3.12 0.00 0.00 179.24 176.79 2kwc n GLY 103 N -1.38 0.90 3.76 2.75 0.00 -1.12 -5.03 105.19 105.07 2kwc n GLY 103 Ca 0.15 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.80 2kwc n GLY 103 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 2kwc s PHE 104 N -1.73 3.55 0.42 1.61 2.19 -1.26 -4.73 117.98 118.03 2kwc s PHE 104 Ca 0.00 0.79 -0.21 0.00 0.33 0.00 0.00 56.93 57.83 2kwc s PHE 104 Cb 0.00 -2.38 -0.11 0.00 -1.31 0.00 0.00 43.02 39.22 2kwc s PHE 104 CO 0.00 0.34 0.95 -0.51 1.83 0.00 0.00 175.22 177.83 2kwc s LEU 105 N 0.07 3.98 -0.13 6.12 1.43 -1.20 -3.86 118.68 125.09 2kwc s LEU 105 Ca 0.21 1.72 -0.02 0.00 -1.03 0.00 0.00 54.13 55.02 2kwc s LEU 105 Cb -0.15 -4.49 0.04 0.00 0.03 0.00 0.00 46.19 41.63 2kwc s LEU 105 CO 0.08 -0.35 -0.00 -0.31 0.23 0.00 0.00 176.35 176.00 2kwc s TYR 106 N -2.11 1.03 0.14 0.29 2.02 -1.26 -3.07 117.35 114.38 2kwc s TYR 106 Ca 0.61 -0.59 -0.02 0.00 -0.37 0.00 0.00 57.07 56.71 2kwc s TYR 106 Cb -0.10 -1.00 -0.04 0.00 -0.40 0.00 0.00 41.96 40.42 2kwc s TYR 106 CO 0.14 -0.48 0.09 0.54 -1.57 0.00 0.00 175.55 174.27 2kwc s VAL 107 N 1.86 0.09 -0.07 0.71 0.11 -0.20 -4.56 120.40 118.34 2kwc s VAL 107 Ca 0.02 -1.85 -0.06 0.00 -2.93 0.00 0.00 61.98 57.16 2kwc s VAL 107 Cb -0.14 -2.05 0.02 0.00 -1.53 0.00 0.00 36.38 32.68 2kwc s VAL 107 CO -0.07 -0.42 0.18 -0.89 -3.33 0.00 0.00 175.10 170.57 2kwc s THR 108 N -4.05 -0.00 0.12 5.04 2.01 -0.03 -0.06 115.64 118.68 2kwc s THR 108 Ca 0.24 0.00 0.07 0.00 0.31 0.00 0.00 61.69 62.32 2kwc s THR 108 Cb 0.07 -0.25 -0.04 0.00 0.01 0.00 0.00 72.50 72.29 2kwc s THR 108 CO 0.02 0.00 -0.18 -0.72 -0.69 0.00 0.00 174.62 173.06 2kwc s TYR 109 N 0.10 1.64 0.21 4.92 1.13 -1.16 0.19 117.35 124.38 2kwc s TYR 109 Ca -0.00 -0.47 -0.05 0.00 -1.41 0.00 0.00 57.07 55.13 2kwc s TYR 109 Cb -0.01 -0.87 -0.03 0.00 -1.10 0.00 0.00 41.96 39.95 2kwc s TYR 109 CO 0.00 0.21 0.25 0.45 -2.51 0.00 0.00 175.55 173.95 2kwc s SER 110 N -2.25 0.07 -0.12 -0.18 0.15 -0.17 -2.28 113.70 108.91 2kwc s SER 110 Ca 0.09 -1.19 0.05 0.00 0.70 0.00 0.00 55.95 55.61 2kwc s SER 110 Cb -0.07 0.44 0.35 0.00 -1.71 0.00 0.00 66.02 65.03 2kwc s SER 110 CO 0.04 -0.93 1.11 0.61 1.20 0.00 0.00 173.24 175.27 2kwc n GLY 111 N -0.29 2.31 3.20 9.45 0.00 -1.26 -0.34 105.19 118.26 2kwc n GLY 111 Ca -0.00 -0.41 -0.10 0.00 0.00 0.00 0.00 46.02 45.50 2kwc n GLY 111 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2kwc s GLU 112 N -1.71 0.78 -1.19 1.61 2.12 -1.24 -4.58 118.70 114.50 2kwc s GLU 112 Ca 0.24 -0.77 -0.07 0.00 0.36 0.00 0.00 54.97 54.72 2kwc s GLU 112 Cb 0.19 0.32 0.23 0.00 0.26 0.00 0.00 34.13 35.13 2kwc s GLU 112 CO 0.07 -0.24 1.69 -1.71 -0.54 0.00 0.00 175.26 174.52 2kwc n ASN 113 N 0.31 5.65 -3.89 -1.70 4.05 -1.26 -4.50 115.26 113.92 2kwc n ASN 113 Ca -0.17 -3.23 -0.11 0.00 0.45 0.00 0.00 54.58 51.52 2kwc n ASN 113 Cb 0.61 -1.39 -0.11 0.00 1.23 0.00 0.00 39.78 40.11 2kwc n ASN 113 CO 0.00 0.00 0.00 0.42 -3.05 0.00 0.00 177.26 174.63 2kwc s THR 114 N -0.91 0.07 -2.70 -0.44 -4.23 -1.26 -5.03 115.64 101.14 2kwc s THR 114 Ca 0.36 -0.59 0.26 0.00 -1.18 0.00 0.00 61.69 60.54 2kwc s THR 114 Cb 0.07 -0.33 0.40 0.00 1.34 0.00 0.00 72.50 73.98 2kwc s THR 114 CO 0.04 -0.33 1.53 0.49 -0.54 0.00 0.00 174.62 175.82 2kwc n PHE 115 N 1.83 0.02 0.00 3.99 3.01 -1.26 -4.99 117.46 120.06 2kwc n PHE 115 Ca -0.21 -0.01 0.00 0.00 1.01 0.00 0.00 57.45 58.24 2kwc n PHE 115 Cb 0.56 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 40.03 2kwc n PHE 115 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18