#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kwc h LYS 2 N 0.00 -0.08 -6.68 0.03 1.57 -2.08 -3.46 116.57 105.87 2kwc h LYS 2 Ca 0.00 0.01 -0.50 0.00 -1.87 0.00 0.00 60.65 58.28 2kwc h LYS 2 Cb 0.00 0.02 -0.02 0.00 0.08 0.00 0.00 32.23 32.31 2kwc h LYS 2 CO 0.00 -0.05 0.06 0.45 -0.57 0.00 0.00 179.45 179.33 2kwc s SER 3 N -3.33 6.71 0.00 0.86 0.15 -1.26 -4.98 113.70 111.85 2kwc s SER 3 Ca -0.01 1.18 0.00 0.00 0.70 0.00 0.00 55.95 57.82 2kwc s SER 3 Cb 0.00 -2.33 0.00 0.00 -1.71 0.00 0.00 66.02 61.98 2kwc s SER 3 CO 0.04 -0.21 0.39 0.35 1.20 0.00 0.00 173.24 175.01 2kwc n THR 4 N -0.46 0.00 -0.23 6.45 -2.24 -1.26 -4.50 114.28 112.04 2kwc n THR 4 Ca 0.03 -0.41 -0.07 0.00 -2.27 0.00 0.00 64.05 61.32 2kwc n THR 4 Cb 0.53 1.16 0.03 0.00 -2.10 0.00 0.00 70.33 69.95 2kwc n THR 4 CO 0.00 0.00 0.00 -0.26 -0.57 0.00 0.00 175.07 174.24 2kwc h PHE 5 N 0.00 1.00 0.08 4.78 0.04 -1.94 1.43 116.94 122.34 2kwc h PHE 5 Ca 0.00 -0.10 -0.31 0.00 2.80 0.00 0.00 57.97 60.37 2kwc h PHE 5 Cb 0.08 -0.29 -0.02 0.00 2.20 0.00 0.00 35.95 37.92 2kwc h PHE 5 CO 0.00 0.82 -1.63 1.57 -0.60 0.00 0.00 178.31 178.47 2kwc h LYS 6 N 0.90 0.17 0.08 1.51 2.10 -1.83 -2.57 116.57 116.93 2kwc h LYS 6 Ca 0.21 -0.29 -0.00 0.00 -2.00 0.00 0.00 60.65 58.56 2kwc h LYS 6 Cb 0.27 0.11 0.00 0.00 -0.90 0.00 0.00 32.23 31.71 2kwc h LYS 6 CO -0.01 0.96 -0.04 1.03 -2.00 0.00 0.00 179.45 179.40 2kwc h SER 7 N 0.05 -0.09 -0.23 7.07 0.87 -1.76 -3.37 113.55 116.09 2kwc h SER 7 Ca -0.27 0.00 0.04 0.00 -1.23 0.00 0.00 61.79 60.33 2kwc h SER 7 Cb 2.00 0.02 -0.03 0.00 -0.44 0.00 0.00 62.40 63.95 2kwc h SER 7 CO 0.13 0.03 0.01 -0.08 -0.53 0.00 0.00 176.83 176.39 2kwc h GLU 8 N -0.30 0.08 -6.29 2.24 4.57 0.17 -3.43 114.58 111.62 2kwc h GLU 8 Ca -0.01 -0.01 -0.58 0.00 -1.18 0.00 0.00 59.36 57.58 2kwc h GLU 8 Cb 0.08 -0.02 -0.11 0.00 -0.16 0.00 0.00 28.75 28.55 2kwc h GLU 8 CO 0.02 0.06 -0.65 0.71 -1.18 0.00 0.00 179.01 177.96 2kwc s TYR 9 N -6.19 2.78 0.93 0.92 2.02 -0.97 -5.03 117.35 111.82 2kwc s TYR 9 Ca -0.13 -0.18 -0.13 0.00 -0.37 0.00 0.00 57.07 56.26 2kwc s TYR 9 Cb 0.10 -1.30 0.15 0.00 -0.40 0.00 0.00 41.96 40.51 2kwc s TYR 9 CO 0.69 0.55 1.15 -1.25 -1.57 0.00 0.00 175.55 175.12 2kwc s PRO 10 N -3.25 0.97 0.43 -1.71 0.04 -1.26 -3.32 135.00 126.90 2kwc s PRO 10 Ca 0.29 0.22 0.23 0.00 0.04 0.00 0.00 61.00 61.78 2kwc s PRO 10 Cb -0.08 -1.83 0.41 0.00 0.04 0.00 0.00 34.50 33.04 2kwc s PRO 10 CO 0.19 -2.30 1.63 0.35 0.04 0.00 0.00 177.00 176.90 2kwc h PHE 11 N -1.57 0.00 0.01 0.56 3.04 -1.85 -3.22 116.94 113.91 2kwc h PHE 11 Ca -0.50 0.00 -0.00 0.00 3.98 0.00 0.00 57.97 61.45 2kwc h PHE 11 Cb 1.32 0.00 0.00 0.00 2.56 0.00 0.00 35.95 39.83 2kwc h PHE 11 CO 0.04 0.07 -0.00 0.93 -2.02 0.00 0.00 178.31 177.32 2kwc h GLU 12 N 0.00 -0.01 0.04 1.11 5.08 -1.97 -2.95 114.58 115.87 2kwc h GLU 12 Ca -0.00 0.00 0.01 0.00 -1.00 0.00 0.00 59.36 58.38 2kwc h GLU 12 Cb 1.00 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 30.21 2kwc h GLU 12 CO 0.01 0.72 -0.46 -0.22 -1.00 0.00 0.00 179.01 178.06 2kwc h LYS 13 N -0.76 -0.58 -0.77 2.33 1.63 -1.96 0.36 116.57 116.82 2kwc h LYS 13 Ca -0.00 0.04 0.13 0.00 -0.85 0.00 0.00 60.65 59.97 2kwc h LYS 13 Cb 0.73 0.13 -0.13 0.00 -0.60 0.00 0.00 32.23 32.36 2kwc h LYS 13 CO 0.00 -0.39 -0.35 0.00 -3.45 0.00 0.00 179.45 175.26 2kwc h ARG 14 N -0.60 -0.09 -0.90 1.90 2.47 -1.68 1.11 114.38 116.59 2kwc h ARG 14 Ca 0.00 0.01 0.09 0.00 -1.26 0.00 0.00 59.98 58.82 2kwc h ARG 14 Cb 0.63 0.02 -0.06 0.00 -1.65 0.00 0.00 29.97 28.90 2kwc h ARG 14 CO -0.28 -0.06 0.58 -0.22 0.56 0.00 0.00 179.97 180.55 2kwc h LYS 15 N -0.09 0.89 0.15 0.04 3.64 -1.15 -2.55 116.57 117.50 2kwc h LYS 15 Ca 0.29 -0.05 -0.00 0.00 -1.27 0.00 0.00 60.65 59.61 2kwc h LYS 15 Cb 0.57 -0.20 -0.02 0.00 -0.41 0.00 0.00 32.23 32.18 2kwc h LYS 15 CO -0.81 0.59 -0.24 0.00 -2.27 0.00 0.00 179.45 176.71 2kwc h ALA 16 N 1.55 -0.85 -0.98 5.00 0.00 0.54 0.28 119.26 124.79 2kwc h ALA 16 Ca 0.42 -0.07 0.28 0.00 0.00 0.00 0.00 54.91 55.54 2kwc h ALA 16 Cb 0.38 0.57 -0.18 0.00 0.00 0.00 0.00 17.79 18.56 2kwc h ALA 16 CO -0.18 -0.89 0.06 -1.91 0.00 0.00 0.00 179.25 176.34 2kwc n GLU 17 N -3.81 -0.08 -0.13 0.00 4.07 -0.58 0.18 120.64 120.29 2kwc n GLU 17 Ca -0.05 1.46 -0.09 0.00 -0.06 0.00 0.00 57.16 58.43 2kwc n GLU 17 Cb 0.20 -2.35 -0.01 0.00 -0.06 0.00 0.00 31.44 29.23 2kwc n GLU 17 CO 0.00 0.00 0.00 1.03 -0.06 0.00 0.00 177.13 178.10 2kwc h SER 18 N 0.00 0.52 -0.68 4.31 0.87 -1.03 -1.61 113.55 115.92 2kwc h SER 18 Ca 0.62 -0.14 0.20 0.00 -1.23 0.00 0.00 61.79 61.23 2kwc h SER 18 Cb 1.32 -0.13 -0.03 0.00 -0.44 0.00 0.00 62.40 63.11 2kwc h SER 18 CO -0.91 0.51 0.61 -0.33 -0.53 0.00 0.00 176.83 176.19 2kwc h GLU 19 N 0.48 0.00 0.00 2.24 4.39 0.55 0.68 114.58 122.93 2kwc h GLU 19 Ca 0.13 0.00 -0.00 0.00 0.34 0.00 0.00 59.36 59.83 2kwc h GLU 19 Cb 0.14 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.79 2kwc h GLU 19 CO -0.01 0.00 -0.00 0.00 -1.16 0.00 0.00 179.01 177.83 2kwc h ARG 20 N 0.00 -0.00 0.00 2.33 3.08 -0.47 -2.54 114.38 116.78 2kwc h ARG 20 Ca 0.32 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.37 2kwc h ARG 20 Cb 1.55 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.60 2kwc h ARG 20 CO -0.00 0.37 0.01 0.82 -1.07 0.00 0.00 179.97 180.10 2kwc h ILE 21 N -1.00 0.00 0.05 2.04 2.04 -0.59 0.46 117.51 120.51 2kwc h ILE 21 Ca -0.00 0.00 -0.25 0.00 1.00 0.00 0.00 64.86 65.61 2kwc h ILE 21 Cb 0.37 0.91 -0.02 0.00 -0.74 0.00 0.00 36.82 37.34 2kwc h ILE 21 CO 0.00 0.00 -1.26 0.00 0.00 0.00 0.00 178.15 176.89 2kwc h ALA 22 N 1.97 0.35 0.00 1.87 0.00 0.26 0.50 119.26 124.22 2kwc h ALA 22 Ca 0.00 -1.03 0.00 0.00 0.00 0.00 0.00 54.91 53.88 2kwc h ALA 22 Cb 0.03 0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.88 2kwc h ALA 22 CO 0.00 1.23 -0.50 0.22 0.00 0.00 0.00 179.25 180.21 2kwc h ASP 23 N 0.03 0.00 0.00 0.00 1.82 -0.02 -3.15 116.42 115.10 2kwc h ASP 23 Ca -0.12 -0.16 -0.03 0.00 -0.39 0.00 0.00 57.03 56.33 2kwc h ASP 23 Cb 1.89 0.00 -0.00 0.00 0.68 0.00 0.00 39.33 41.90 2kwc h ASP 23 CO 0.14 0.08 -1.07 -1.14 -1.61 0.00 0.00 179.24 175.64 2kwc n ARG 24 N -2.18 0.52 -3.62 0.28 0.00 0.12 -4.84 116.66 106.94 2kwc n ARG 24 Ca 0.04 0.21 -0.27 0.00 -0.00 0.00 0.00 57.85 57.82 2kwc n ARG 24 Cb 0.44 -1.42 -0.10 0.00 0.00 0.00 0.00 32.46 31.38 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 -4.43 1.81 1.50 -0.14 3.72 0.18 -4.90 117.46 115.20 2kwc n PHE 25 Ca -0.16 -3.94 0.12 0.00 -0.05 0.00 0.00 57.45 53.42 2kwc n PHE 25 Cb 0.53 -0.34 0.70 0.00 -0.94 0.00 0.00 39.48 39.43 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 1.99 0.75 -0.36 -1.08 -0.04 -1.19 -1.97 135.00 133.10 2kwc n PRO 26 Ca 0.24 0.00 0.08 0.00 -0.04 0.00 0.00 63.50 63.78 2kwc n PRO 26 Cb 0.41 -1.49 0.24 0.00 -0.04 0.00 0.00 33.50 32.62 2kwc n PRO 26 CO 0.00 0.00 0.00 0.27 -0.04 0.00 0.00 175.50 175.73 2kwc n ASN 27 N -0.99 3.68 -4.32 3.54 0.23 -1.26 -4.98 115.26 111.16 2kwc n ASN 27 Ca 0.18 -2.33 -0.22 0.00 -0.53 0.00 0.00 54.58 51.68 2kwc n ASN 27 Cb 0.08 -0.41 0.00 0.00 -2.08 0.00 0.00 39.78 37.37 2kwc n ASN 27 CO 0.00 0.00 0.00 0.54 -0.93 0.00 0.00 177.26 176.87 2kwc n ARG 28 N 0.55 0.83 -3.41 -3.83 5.12 -0.83 -2.85 116.66 112.24 2kwc n ARG 28 Ca 0.18 -2.82 -0.21 0.00 -1.93 0.00 0.00 57.85 53.07 2kwc n ARG 28 Cb 0.66 0.31 -0.10 0.00 -1.16 0.00 0.00 32.46 32.17 2kwc n ARG 28 CO 0.00 0.00 0.00 0.42 -1.93 0.00 0.00 177.63 176.12 2kwc s ILE 29 N -2.24 -0.20 -1.00 0.55 1.01 0.47 -4.72 121.20 115.08 2kwc s ILE 29 Ca 0.25 -1.10 -0.23 0.00 0.00 0.00 0.00 60.65 59.56 2kwc s ILE 29 Cb -0.02 -0.86 0.00 0.00 0.01 0.00 0.00 42.46 41.59 2kwc s ILE 29 CO 0.16 -0.69 1.71 -2.16 0.00 0.00 0.00 174.94 173.96 2kwc s PRO 30 N 1.51 3.10 0.31 2.79 0.04 -1.26 -2.56 135.00 138.92 2kwc s PRO 30 Ca 0.16 -0.82 -0.16 0.00 0.04 0.00 0.00 61.00 60.22 2kwc s PRO 30 Cb -0.17 -5.24 -0.09 0.00 0.04 0.00 0.00 34.50 29.04 2kwc s PRO 30 CO -0.08 -2.82 0.73 0.08 0.04 0.00 0.00 177.00 174.95 2kwc s VAL 31 N 7.49 4.67 -0.46 -0.36 1.01 0.13 -3.79 120.40 129.09 2kwc s VAL 31 Ca 0.58 0.99 0.03 0.00 0.00 0.00 0.00 61.98 63.58 2kwc s VAL 31 Cb -0.03 -3.64 0.12 0.00 0.00 0.00 0.00 36.38 32.84 2kwc s VAL 31 CO -0.04 -0.14 0.21 -0.63 0.00 0.00 0.00 175.10 174.51 2kwc s ILE 32 N -1.93 2.19 0.28 2.22 -1.09 -0.89 -1.79 121.20 120.19 2kwc s ILE 32 Ca 0.53 -2.90 -0.12 0.00 -2.23 0.00 0.00 60.65 55.93 2kwc s ILE 32 Cb -0.11 -2.54 -0.08 0.00 -1.58 0.00 0.00 42.46 38.15 2kwc s ILE 32 CO 0.18 -0.78 0.64 0.00 -1.23 0.00 0.00 174.94 173.74 2kwc s GLU 34 N -2.97 0.41 0.17 0.00 2.02 -0.87 -4.61 118.70 112.84 2kwc s GLU 34 Ca 0.50 -0.22 -0.30 0.00 0.02 0.00 0.00 54.97 54.97 2kwc s GLU 34 Cb -0.11 -0.38 -0.08 0.00 0.10 0.00 0.00 34.13 33.67 2kwc s GLU 34 CO 0.20 0.10 1.16 0.21 0.02 0.00 0.00 175.26 176.95 2kwc s LYS 35 N -0.22 4.53 -0.20 1.61 2.36 -1.26 -3.48 119.74 123.08 2kwc s LYS 35 Ca 0.01 1.79 -0.29 0.00 -2.55 0.00 0.00 55.97 54.93 2kwc s LYS 35 Cb -0.02 -3.27 -0.03 0.00 -1.05 0.00 0.00 37.83 33.46 2kwc s LYS 35 CO -0.00 -0.04 1.58 0.00 1.55 0.00 0.00 175.35 178.44 2kwc s ALA 36 N 0.00 3.35 0.19 3.13 0.00 -1.21 -4.88 121.76 122.34 2kwc s ALA 36 Ca 0.52 0.51 -0.12 0.00 0.00 0.00 0.00 51.96 52.87 2kwc s ALA 36 Cb -0.31 -3.82 0.19 0.00 0.00 0.00 0.00 23.12 19.19 2kwc s ALA 36 CO 0.35 -1.81 1.75 1.05 0.00 0.00 0.00 175.76 177.10 2kwc h GLU 37 N 10.29 0.35 -0.37 0.00 4.11 -1.93 0.21 114.58 127.24 2kwc h GLU 37 Ca -0.33 -0.02 0.11 0.00 0.07 0.00 0.00 59.36 59.18 2kwc h GLU 37 Cb 1.15 -0.08 -0.01 0.00 0.50 0.00 0.00 28.75 30.31 2kwc h GLU 37 CO 0.99 0.23 0.27 0.87 0.07 0.00 0.00 179.01 181.45 2kwc h LYS 38 N 0.36 0.00 -6.79 1.06 1.57 -2.00 -3.42 116.57 107.34 2kwc h LYS 38 Ca 0.25 0.00 -0.35 0.00 -1.87 0.00 0.00 60.65 58.69 2kwc h LYS 38 Cb 0.28 0.00 0.20 0.00 0.08 0.00 0.00 32.23 32.79 2kwc h LYS 38 CO -0.26 0.00 -0.17 0.45 -0.57 0.00 0.00 179.45 178.89 2kwc n SER 39 N -4.40 -3.86 -0.42 0.86 2.88 0.75 -4.97 113.62 104.46 2kwc n SER 39 Ca 0.06 -0.75 0.05 0.00 -1.33 0.00 0.00 58.87 56.90 2kwc n SER 39 Cb 0.46 -0.98 0.09 0.00 -0.75 0.00 0.00 64.21 63.02 2kwc n SER 39 CO 0.00 0.00 0.00 0.47 -1.23 0.00 0.00 175.04 174.28 2kwc n ASP 40 N -5.02 1.31 -4.91 -3.46 10.43 -1.26 -5.02 116.55 108.62 2kwc n ASP 40 Ca 0.12 -2.69 -0.28 0.00 2.57 0.00 0.00 54.79 54.50 2kwc n ASP 40 Cb 0.55 -0.35 -0.03 0.00 1.84 0.00 0.00 41.12 43.14 2kwc n ASP 40 CO 0.00 0.00 0.00 0.27 -1.07 0.00 0.00 177.20 176.40 2kwc s ILE 41 N -1.62 5.04 -0.02 0.53 -4.36 -1.26 -5.05 121.20 114.46 2kwc s ILE 41 Ca 0.21 0.02 -0.30 0.00 -0.26 0.00 0.00 60.65 60.32 2kwc s ILE 41 Cb 0.20 -3.74 -0.04 0.00 1.25 0.00 0.00 42.46 40.14 2kwc s ILE 41 CO -0.01 -0.32 1.21 -2.16 0.24 0.00 0.00 174.94 173.90 2kwc s PRO 42 N -3.55 4.37 1.16 0.37 0.04 -1.26 -5.01 135.00 131.12 2kwc s PRO 42 Ca 0.43 1.71 -0.17 0.00 0.04 0.00 0.00 61.00 63.01 2kwc s PRO 42 Cb -0.11 -3.51 0.18 0.00 0.04 0.00 0.00 34.50 31.10 2kwc s PRO 42 CO 0.30 -0.40 0.32 -1.91 0.04 0.00 0.00 177.00 175.35 2kwc n GLU 43 N 4.87 -2.11 -4.18 4.56 2.13 -1.26 -4.84 120.64 119.80 2kwc n GLU 43 Ca 0.10 -0.60 -0.25 0.00 0.66 0.00 0.00 57.16 57.07 2kwc n GLU 43 Cb 0.46 -1.81 -0.07 0.00 0.27 0.00 0.00 31.44 30.29 2kwc n GLU 43 CO 0.00 0.00 0.00 0.96 -0.41 0.00 0.00 177.13 177.68 2kwc s ILE 44 N -2.26 2.19 0.10 6.31 -4.36 -1.26 -4.90 121.20 117.02 2kwc s ILE 44 Ca 0.59 -1.72 -0.29 0.00 -0.26 0.00 0.00 60.65 58.97 2kwc s ILE 44 Cb -0.15 -2.91 -0.11 0.00 1.25 0.00 0.00 42.46 40.53 2kwc s ILE 44 CO 0.64 0.00 1.47 0.44 0.24 0.00 0.00 174.94 177.73 2kwc h ASP 45 N 1.41 -1.46 -2.26 4.36 3.32 -1.96 -3.46 116.42 116.37 2kwc h ASP 45 Ca -0.43 0.17 -0.06 0.00 0.02 0.00 0.00 57.03 56.74 2kwc h ASP 45 Cb 1.26 0.56 -0.01 0.00 0.22 0.00 0.00 39.33 41.36 2kwc h ASP 45 CO 0.70 -0.42 0.07 2.29 -1.72 0.00 0.00 179.24 180.16 2kwc n LYS 46 N -5.00 0.50 -3.71 3.56 0.00 -1.26 -5.13 118.16 107.13 2kwc n LYS 46 Ca -0.05 -1.22 -0.38 0.00 -0.00 0.00 0.00 58.31 56.65 2kwc n LYS 46 Cb 0.33 1.39 -0.11 0.00 -0.00 0.00 0.00 35.03 36.64 2kwc n LYS 46 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 177.40 176.42 2kwc s ARG 47 N -2.16 2.26 -0.29 -1.58 1.70 -1.26 -5.01 118.95 112.60 2kwc s ARG 47 Ca 0.10 -1.69 0.01 0.00 -0.47 0.00 0.00 55.73 53.68 2kwc s ARG 47 Cb -0.02 -3.66 0.19 0.00 -0.57 0.00 0.00 34.95 30.89 2kwc s ARG 47 CO 0.08 -1.03 0.57 0.21 -1.08 0.00 0.00 175.30 174.04 2kwc s LYS 48 N 1.25 0.54 -0.40 3.89 2.20 -1.26 -4.82 119.74 121.14 2kwc s LYS 48 Ca 0.05 0.82 0.02 0.00 -0.36 0.00 0.00 55.97 56.50 2kwc s LYS 48 Cb -0.23 0.35 0.12 0.00 -1.51 0.00 0.00 37.83 36.56 2kwc s LYS 48 CO -0.02 -0.74 0.18 0.71 -0.36 0.00 0.00 175.35 175.12 2kwc s TYR 49 N 2.81 2.30 -0.82 4.03 1.51 -0.74 -5.03 117.35 121.40 2kwc s TYR 49 Ca 0.17 -2.42 -0.17 0.00 -1.01 0.00 0.00 57.07 53.63 2kwc s TYR 49 Cb -0.14 -2.10 0.15 0.00 -0.11 0.00 0.00 41.96 39.76 2kwc s TYR 49 CO -0.22 -0.82 0.93 -1.17 -1.11 0.00 0.00 175.55 173.16 2kwc s LEU 50 N 0.66 5.61 0.18 -1.29 1.98 -1.26 -0.69 118.68 123.86 2kwc s LEU 50 Ca 0.15 -2.08 0.08 0.00 -2.89 0.00 0.00 54.13 49.38 2kwc s LEU 50 Cb -0.22 -2.32 -0.04 0.00 0.66 0.00 0.00 46.19 44.26 2kwc s LEU 50 CO -0.07 -0.94 -0.03 0.68 -1.89 0.00 0.00 176.35 174.10 2kwc s VAL 51 N 1.98 3.55 0.98 1.68 -7.23 -1.06 -4.88 120.40 115.42 2kwc s VAL 51 Ca 0.24 -1.50 -0.14 0.00 -1.81 0.00 0.00 61.98 58.76 2kwc s VAL 51 Cb -0.11 -2.78 0.18 0.00 0.56 0.00 0.00 36.38 34.24 2kwc s VAL 51 CO -0.06 -0.11 1.17 -2.16 -0.31 0.00 0.00 175.10 173.63 2kwc s PRO 52 N -2.91 0.55 -0.10 4.82 0.04 -1.26 0.18 135.00 136.31 2kwc s PRO 52 Ca 0.27 0.07 0.07 0.00 0.04 0.00 0.00 61.00 61.45 2kwc s PRO 52 Cb -0.09 -1.79 0.39 0.00 0.04 0.00 0.00 34.50 33.05 2kwc s PRO 52 CO 0.17 -2.55 1.13 0.00 0.04 0.00 0.00 177.00 175.79 2kwc n ALA 53 N -3.97 3.10 -0.12 8.56 0.00 -1.13 -3.17 120.51 123.78 2kwc n ALA 53 Ca 0.10 -0.90 0.00 0.00 0.00 0.00 0.00 53.44 52.64 2kwc n ALA 53 Cb 0.59 -1.05 0.00 0.00 0.00 0.00 0.00 19.45 18.99 2kwc n ALA 53 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 2kwc n ASP 54 N 0.33 0.84 -4.91 0.00 9.92 -1.26 -4.45 116.55 117.03 2kwc n ASP 54 Ca 0.13 -0.98 -0.28 0.00 -0.53 0.00 0.00 54.79 53.14 2kwc n ASP 54 Cb 0.67 0.04 -0.02 0.00 -0.64 0.00 0.00 41.12 41.16 2kwc n ASP 54 CO 0.00 0.00 0.00 -0.22 0.13 0.00 0.00 177.20 177.11 2kwc s LEU 55 N -0.07 3.93 0.29 0.64 0.20 -1.19 -4.98 118.68 117.50 2kwc s LEU 55 Ca 0.00 0.78 0.08 0.00 0.69 0.00 0.00 54.13 55.68 2kwc s LEU 55 Cb 0.00 -3.64 -0.04 0.00 -0.43 0.00 0.00 46.19 42.08 2kwc s LEU 55 CO 0.00 -0.32 0.10 0.42 -0.29 0.00 0.00 176.35 176.26 2kwc s THR 56 N -2.30 3.59 0.25 3.68 -4.23 -1.26 -1.34 115.64 114.03 2kwc s THR 56 Ca 0.45 -1.69 -0.04 0.00 -1.18 0.00 0.00 61.69 59.22 2kwc s THR 56 Cb -0.10 -3.04 0.22 0.00 1.34 0.00 0.00 72.50 70.92 2kwc s THR 56 CO 0.34 -0.31 1.71 0.58 -0.54 0.00 0.00 174.62 176.40 2kwc h VAL 57 N 1.66 0.59 -0.81 2.29 2.07 -0.87 -1.95 116.25 119.22 2kwc h VAL 57 Ca -0.45 -0.12 0.07 0.00 0.82 0.00 0.00 66.70 67.02 2kwc h VAL 57 Cb 1.25 0.19 -0.10 0.00 -1.52 0.00 0.00 31.29 31.12 2kwc h VAL 57 CO 0.61 0.07 -0.48 0.61 0.02 0.00 0.00 177.57 178.40 2kwc n GLY 58 N -1.34 -2.54 0.33 2.17 0.00 0.02 0.13 105.19 103.96 2kwc n GLY 58 Ca 0.14 1.05 0.16 0.00 0.00 0.00 0.00 46.02 47.37 2kwc n GLY 58 CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 2kwc h GLN 59 N 0.00 0.40 -0.61 1.61 4.20 -1.62 0.80 115.11 119.89 2kwc h GLN 59 Ca 0.13 -0.02 0.01 0.00 0.06 0.00 0.00 58.65 58.83 2kwc h GLN 59 Cb 0.33 -0.09 -0.03 0.00 0.30 0.00 0.00 27.48 27.99 2kwc h GLN 59 CO -0.76 0.26 0.40 0.35 -0.67 0.00 0.00 178.83 178.42 2kwc h PHE 60 N 0.41 0.75 0.00 2.96 3.57 0.11 0.21 116.94 124.96 2kwc h PHE 60 Ca 0.61 0.02 0.00 0.00 3.53 0.00 0.00 57.97 62.13 2kwc h PHE 60 Cb 1.23 -0.25 0.00 0.00 2.79 0.00 0.00 35.95 39.71 2kwc h PHE 60 CO -0.09 0.47 0.00 0.28 -2.23 0.00 0.00 178.31 176.74 2kwc h VAL 61 N 0.81 0.00 0.00 1.41 2.07 0.20 -2.57 116.25 118.16 2kwc h VAL 61 Ca 0.23 -0.32 0.00 0.00 0.82 0.00 0.00 66.70 67.42 2kwc h VAL 61 Cb -0.06 1.14 0.00 0.00 -1.52 0.00 0.00 31.29 30.85 2kwc h VAL 61 CO -0.05 0.00 -0.19 0.22 0.02 0.00 0.00 177.57 177.57 2kwc h TYR 62 N 0.00 0.00 -0.81 1.57 3.20 -0.05 -2.99 116.97 117.88 2kwc h TYR 62 Ca 0.00 0.00 0.19 0.00 3.14 0.00 0.00 58.73 62.06 2kwc h TYR 62 Cb 0.41 0.00 -0.15 0.00 1.54 0.00 0.00 36.73 38.54 2kwc h TYR 62 CO 0.00 0.00 -0.02 -0.39 -1.64 0.00 0.00 178.16 176.11 2kwc h VAL 63 N -0.67 0.26 0.45 1.81 -1.51 -1.29 0.21 116.25 115.50 2kwc h VAL 63 Ca 0.00 -0.03 -0.02 0.00 -1.23 0.00 0.00 66.70 65.43 2kwc h VAL 63 Cb 0.19 0.17 -0.00 0.00 -2.13 0.00 0.00 31.29 29.52 2kwc h VAL 63 CO 0.00 0.01 -0.29 0.40 -1.23 0.00 0.00 177.57 176.46 2kwc h ILE 64 N 0.08 0.00 -1.12 7.19 5.03 -1.64 0.44 117.51 127.49 2kwc h ILE 64 Ca 0.45 0.00 0.32 0.00 -0.12 0.00 0.00 64.86 65.51 2kwc h ILE 64 Cb 0.81 0.00 -0.04 0.00 -3.03 0.00 0.00 36.82 34.55 2kwc h ILE 64 CO -0.74 0.00 1.00 -0.09 -0.68 0.00 0.00 178.15 177.64 2kwc h ARG 65 N -0.70 0.00 0.16 2.37 2.43 -0.99 1.38 114.38 119.03 2kwc h ARG 65 Ca -0.06 0.00 -0.22 0.00 -0.81 0.00 0.00 59.98 58.89 2kwc h ARG 65 Cb 0.57 0.00 0.02 0.00 -0.42 0.00 0.00 29.97 30.14 2kwc h ARG 65 CO 0.05 0.00 -0.96 0.87 -1.51 0.00 0.00 179.97 178.41 2kwc h LYS 66 N 0.00 0.34 0.00 0.20 1.79 0.56 0.79 116.57 120.25 2kwc h LYS 66 Ca 0.53 -0.59 -0.00 0.00 -2.18 0.00 0.00 60.65 58.41 2kwc h LYS 66 Cb 2.54 0.22 -0.00 0.00 -1.58 0.00 0.00 32.23 33.40 2kwc h LYS 66 CO -0.01 1.28 -0.01 0.00 -1.08 0.00 0.00 179.45 179.63 2kwc h ARG 67 N -0.27 0.00 -0.00 3.15 2.47 0.63 -0.54 114.38 119.82 2kwc h ARG 67 Ca -0.17 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.55 2kwc h ARG 67 Cb 1.75 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 30.07 2kwc h ARG 67 CO 0.17 0.01 -0.56 0.44 0.56 0.00 0.00 179.97 180.60 2kwc n ILE 68 N -4.05 0.00 -4.26 2.04 -5.35 0.13 -4.77 119.36 103.11 2kwc n ILE 68 Ca -0.03 -0.22 -0.32 0.00 -0.27 0.00 0.00 62.75 61.91 2kwc n ILE 68 Cb 0.10 1.03 -0.08 0.00 -1.74 0.00 0.00 39.64 38.95 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 -1.09 -1.04 -0.88 6.28 0.00 0.27 -4.88 117.12 115.78 2kwc n MET 69 Ca 0.03 0.11 -0.30 0.00 0.00 0.00 0.00 57.70 57.54 2kwc n MET 69 Cb 0.22 -3.53 0.17 0.00 0.00 0.00 0.00 33.22 30.08 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 -7.37 2.14 0.65 3.17 1.43 -0.76 -5.00 118.68 112.95 2kwc s LEU 70 Ca 0.06 1.75 -0.13 0.00 -1.03 0.00 0.00 54.13 54.77 2kwc s LEU 70 Cb -0.03 -4.04 -0.01 0.00 0.03 0.00 0.00 46.19 42.13 2kwc s LEU 70 CO 0.99 -3.14 1.06 -2.16 0.23 0.00 0.00 176.35 173.32 2kwc s PRO 71 N -4.72 3.13 0.00 1.29 0.04 -1.26 -4.93 135.00 128.55 2kwc s PRO 71 Ca 0.66 1.04 0.24 0.00 0.04 0.00 0.00 61.00 62.98 2kwc s PRO 71 Cb -0.21 -2.01 1.42 0.00 0.04 0.00 0.00 34.50 33.73 2kwc s PRO 71 CO 0.59 -0.95 1.79 -0.35 0.04 0.00 0.00 177.00 178.12 2kwc n PRO 72 N -2.66 0.75 -0.00 0.56 -0.04 -1.26 -2.09 135.00 130.25 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 -1.50 -0.14 0.00 -0.04 0.00 0.00 33.50 32.36 2kwc n PRO 72 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 2kwc n GLU 73 N -1.00 0.48 -2.73 0.54 1.02 -1.26 -4.97 120.64 112.72 2kwc n GLU 73 Ca 0.18 -0.10 -0.23 0.00 -0.02 0.00 0.00 57.16 57.00 2kwc n GLU 73 Cb 0.08 -1.47 0.10 0.00 -0.02 0.00 0.00 31.44 30.13 2kwc n GLU 73 CO 0.00 0.00 0.00 0.15 1.18 0.00 0.00 177.13 178.46 2kwc s LYS 74 N -3.18 1.78 -0.28 3.49 1.02 -0.89 -5.12 119.74 116.57 2kwc s LYS 74 Ca -0.00 -1.34 -0.03 0.00 0.02 0.00 0.00 55.97 54.61 2kwc s LYS 74 Cb 0.14 -2.42 0.16 0.00 -0.52 0.00 0.00 37.83 35.19 2kwc s LYS 74 CO 0.85 -1.35 0.54 0.00 -0.92 0.00 0.00 175.35 174.47 2kwc s ALA 75 N -3.03 -1.83 -0.13 5.17 0.00 -1.26 -4.91 121.76 115.77 2kwc s ALA 75 Ca 0.66 1.67 -0.11 0.00 0.00 0.00 0.00 51.96 54.17 2kwc s ALA 75 Cb -0.05 -1.90 -0.05 0.00 0.00 0.00 0.00 23.12 21.12 2kwc s ALA 75 CO 0.43 -1.19 0.24 -1.50 0.00 0.00 0.00 175.76 173.74 2kwc s ILE 76 N 2.77 5.34 0.23 0.00 2.07 -1.26 -4.14 121.20 126.20 2kwc s ILE 76 Ca 0.12 0.43 0.09 0.00 -1.41 0.00 0.00 60.65 59.88 2kwc s ILE 76 Cb -0.14 -3.55 -0.04 0.00 0.13 0.00 0.00 42.46 38.86 2kwc s ILE 76 CO -0.19 0.50 0.01 -0.36 -1.91 0.00 0.00 174.94 172.99 2kwc s PHE 77 N -0.29 2.77 -0.02 3.50 0.40 -0.27 -4.91 117.98 119.16 2kwc s PHE 77 Ca 0.16 -0.19 0.04 0.00 -0.60 0.00 0.00 56.93 56.34 2kwc s PHE 77 Cb -0.13 -1.28 -0.03 0.00 0.51 0.00 0.00 43.02 42.09 2kwc s PHE 77 CO 0.05 0.57 -0.12 0.42 0.70 0.00 0.00 175.22 176.83 2kwc s ILE 78 N -2.06 3.22 -0.04 0.64 -1.09 -1.26 -0.75 121.20 119.86 2kwc s ILE 78 Ca 0.30 -0.80 -0.00 0.00 -2.23 0.00 0.00 60.65 57.91 2kwc s ILE 78 Cb -0.08 -2.32 0.03 0.00 -1.58 0.00 0.00 42.46 38.51 2kwc s ILE 78 CO 0.19 0.49 0.00 -0.36 -1.23 0.00 0.00 174.94 174.04 2kwc s PHE 79 N -0.85 0.36 -0.06 3.97 0.40 0.13 -4.42 117.98 117.51 2kwc s PHE 79 Ca 0.14 -0.01 0.06 0.00 -0.60 0.00 0.00 56.93 56.52 2kwc s PHE 79 Cb -0.11 -0.49 -0.01 0.00 0.51 0.00 0.00 43.02 42.93 2kwc s PHE 79 CO 0.03 -0.17 -0.25 0.14 0.70 0.00 0.00 175.22 175.68 2kwc s VAL 80 N 1.27 2.04 -1.32 -0.44 -7.23 -0.94 -1.41 120.40 112.37 2kwc s VAL 80 Ca -0.06 -1.05 -0.12 0.00 -1.81 0.00 0.00 61.98 58.94 2kwc s VAL 80 Cb -0.13 -1.73 0.01 0.00 0.56 0.00 0.00 36.38 35.08 2kwc s VAL 80 CO -0.02 0.57 0.51 0.59 -0.31 0.00 0.00 175.10 176.43 2kwc n ASN 81 N 3.03 -2.17 -4.00 4.85 3.02 -1.26 0.21 115.26 118.95 2kwc n ASN 81 Ca -0.18 -1.10 -0.28 0.00 -0.03 0.00 0.00 54.58 52.99 2kwc n ASN 81 Cb 0.52 -2.69 -0.01 0.00 -0.61 0.00 0.00 39.78 36.98 2kwc n ASN 81 CO 0.00 0.00 0.00 -0.67 -2.62 0.00 0.00 177.26 173.97 2kwc n ASP 82 N -2.74 -1.57 -1.85 6.41 -0.08 -1.26 -4.93 116.55 110.53 2kwc n ASP 82 Ca -0.22 -0.97 -0.07 0.00 -1.51 0.00 0.00 54.79 52.02 2kwc n ASP 82 Cb 0.64 -3.14 -0.03 0.00 2.34 0.00 0.00 41.12 40.93 2kwc n ASP 82 CO 0.00 0.00 0.00 1.07 0.12 0.00 0.00 177.20 178.39 2kwc n THR 83 N -4.42 0.00 -3.39 5.18 5.66 0.13 -5.10 114.28 112.34 2kwc n THR 83 Ca -0.18 -0.92 -0.20 0.00 -3.05 0.00 0.00 64.05 59.71 2kwc n THR 83 Cb 0.62 0.46 -0.09 0.00 -1.55 0.00 0.00 70.33 69.77 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 0.16 0.63 1.09 2.96 -1.26 -2.23 118.68 120.03 2kwc s LEU 84 Ca 0.15 -1.60 -0.14 0.00 -0.22 0.00 0.00 54.13 52.32 2kwc s LEU 84 Cb 0.01 0.32 -0.02 0.00 0.50 0.00 0.00 46.19 47.00 2kwc s LEU 84 CO 0.11 -0.29 1.05 -2.16 -1.32 0.00 0.00 176.35 173.74 2kwc s PRO 85 N 1.49 3.20 0.75 0.98 0.04 -1.26 -5.03 135.00 135.17 2kwc s PRO 85 Ca 0.16 1.08 -0.11 0.00 0.04 0.00 0.00 61.00 62.17 2kwc s PRO 85 Cb -0.17 -2.02 0.04 0.00 0.04 0.00 0.00 34.50 32.39 2kwc s PRO 85 CO -0.07 -0.89 1.08 -1.25 0.04 0.00 0.00 177.00 175.90 2kwc s PRO 86 N -4.48 2.49 0.50 0.56 0.04 -1.26 -4.95 135.00 127.89 2kwc s PRO 86 Ca 0.61 0.79 0.29 0.00 0.04 0.00 0.00 61.00 62.72 2kwc s PRO 86 Cb -0.15 -1.95 0.93 0.00 0.04 0.00 0.00 34.50 33.37 2kwc s PRO 86 CO 0.44 -1.37 1.82 0.00 0.04 0.00 0.00 177.00 177.93 2kwc h THR 87 N -0.91 0.05 0.00 1.26 1.03 -1.96 -2.79 112.91 109.59 2kwc h THR 87 Ca -0.45 -0.77 -0.20 0.00 -0.01 0.00 0.00 66.41 64.97 2kwc h THR 87 Cb 1.24 1.73 -0.03 0.00 -1.07 0.00 0.00 68.15 70.02 2kwc h THR 87 CO 0.58 0.02 -0.99 0.00 -0.01 0.00 0.00 175.52 175.13 2kwc h ALA 88 N 1.97 0.42 -1.54 0.00 0.00 -1.95 0.12 119.26 118.29 2kwc h ALA 88 Ca -0.00 -0.89 -0.65 0.00 0.00 0.00 0.00 54.91 53.37 2kwc h ALA 88 Cb 0.73 -0.10 0.10 0.00 0.00 0.00 0.00 17.79 18.51 2kwc h ALA 88 CO 0.00 1.19 -0.06 0.00 0.00 0.00 0.00 179.25 180.39 2kwc n ALA 89 N -2.35 -1.45 -2.56 0.00 0.00 -1.05 -4.66 120.51 108.44 2kwc n ALA 89 Ca -0.01 0.44 -0.39 0.00 0.00 0.00 0.00 53.44 53.48 2kwc n ALA 89 Cb 0.92 -1.87 -0.05 0.00 0.00 0.00 0.00 19.45 18.45 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 1.30 4.38 0.28 0.00 2.96 -1.26 -0.74 118.68 125.60 2kwc s LEU 90 Ca 0.66 1.14 0.19 0.00 -0.22 0.00 0.00 54.13 55.90 2kwc s LEU 90 Cb -0.85 -2.95 1.03 0.00 0.50 0.00 0.00 46.19 43.92 2kwc s LEU 90 CO 0.57 0.04 1.58 0.23 -1.32 0.00 0.00 176.35 177.44 2kwc n MET 91 N 3.08 0.12 0.07 1.98 2.81 -0.45 -0.63 117.12 124.10 2kwc n MET 91 Ca -0.05 0.62 -0.22 0.00 -1.81 0.00 0.00 57.70 56.23 2kwc n MET 91 Cb 0.51 -1.90 -0.15 0.00 -0.71 0.00 0.00 33.22 30.97 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 0.56 -0.12 7.83 4.64 -1.78 -2.41 113.55 122.27 2kwc h SER 92 Ca 0.00 -0.92 -0.21 0.00 -0.47 0.00 0.00 61.79 60.19 2kwc h SER 92 Cb 0.01 -0.18 0.01 0.00 -0.31 0.00 0.00 62.40 61.93 2kwc h SER 92 CO 0.00 1.57 -0.74 0.00 -0.87 0.00 0.00 176.83 176.79 2kwc h ALA 93 N 0.07 0.25 0.88 5.18 0.00 -1.52 -1.66 119.26 122.46 2kwc h ALA 93 Ca -0.23 -0.59 -0.04 0.00 0.00 0.00 0.00 54.91 54.05 2kwc h ALA 93 Cb 1.85 -0.00 0.01 0.00 0.00 0.00 0.00 17.79 19.65 2kwc h ALA 93 CO 0.16 0.60 -0.42 0.82 0.00 0.00 0.00 179.25 180.41 2kwc h ILE 94 N 0.40 0.00 -0.46 0.00 1.08 -1.00 -2.41 117.51 115.12 2kwc h ILE 94 Ca -0.06 -0.01 0.13 0.00 -0.39 0.00 0.00 64.86 64.53 2kwc h ILE 94 Cb 1.38 0.00 -0.02 0.00 -3.07 0.00 0.00 36.82 35.11 2kwc h ILE 94 CO 0.15 0.00 0.34 0.22 -0.69 0.00 0.00 178.15 178.17 2kwc h TYR 95 N -1.19 0.00 -0.38 1.37 5.03 -1.53 1.53 116.97 121.80 2kwc h TYR 95 Ca -0.12 0.00 -0.00 0.00 2.58 0.00 0.00 58.73 61.19 2kwc h TYR 95 Cb 0.90 0.00 -0.02 0.00 1.55 0.00 0.00 36.73 39.17 2kwc h TYR 95 CO 0.03 0.00 0.24 1.96 -1.32 0.00 0.00 178.16 179.06 2kwc h GLN 96 N 0.00 0.51 -0.01 1.82 4.20 -0.81 1.44 115.11 122.27 2kwc h GLN 96 Ca 0.22 -0.04 0.00 0.00 0.06 0.00 0.00 58.65 58.89 2kwc h GLN 96 Cb 0.89 -0.11 0.00 0.00 0.30 0.00 0.00 27.48 28.56 2kwc h GLN 96 CO -0.00 0.36 -0.28 0.39 -0.67 0.00 0.00 178.83 178.62 2kwc n GLU 97 N -4.46 2.54 -0.15 1.46 -0.58 0.59 -4.38 120.64 115.67 2kwc n GLU 97 Ca 0.03 -0.44 0.05 0.00 -0.42 0.00 0.00 57.16 56.38 2kwc n GLU 97 Cb 0.07 -1.05 0.12 0.00 -0.57 0.00 0.00 31.44 30.01 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 -0.52 0.32 -2.49 -0.32 8.25 0.49 -5.02 115.22 115.94 2kwc n HIS 98 Ca 0.04 -0.67 -0.40 0.00 -0.26 0.00 0.00 57.72 56.42 2kwc n HIS 98 Cb 0.20 -0.11 -0.04 0.00 1.12 0.00 0.00 29.99 31.15 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 -1.73 4.65 0.61 -0.41 2.36 0.49 -4.33 119.74 121.38 2kwc s LYS 99 Ca 0.21 1.79 0.09 0.00 -2.55 0.00 0.00 55.97 55.51 2kwc s LYS 99 Cb 0.16 -3.20 0.10 0.00 -1.05 0.00 0.00 37.83 33.84 2kwc s LYS 99 CO 0.07 0.22 0.84 0.34 1.55 0.00 0.00 175.35 178.37 2kwc s ASP 100 N -0.87 4.95 0.03 1.43 2.15 -1.05 -4.98 116.67 118.32 2kwc s ASP 100 Ca 0.44 -0.86 -0.26 0.00 0.43 0.00 0.00 52.55 52.31 2kwc s ASP 100 Cb -0.32 0.40 -0.14 0.00 -0.30 0.00 0.00 42.92 42.56 2kwc s ASP 100 CO 0.40 -1.47 1.23 0.11 -0.17 0.00 0.00 175.17 175.27 2kwc h LYS 101 N 0.05 -0.90 -0.23 4.34 1.57 -1.97 -2.27 116.57 117.16 2kwc h LYS 101 Ca -0.29 0.06 0.07 0.00 -1.87 0.00 0.00 60.65 58.62 2kwc h LYS 101 Cb 1.29 0.20 -0.01 0.00 0.08 0.00 0.00 32.23 33.79 2kwc h LYS 101 CO 0.40 -0.60 0.46 -0.44 -0.57 0.00 0.00 179.45 178.70 2kwc h ASP 102 N -1.07 0.00 0.00 0.86 5.19 -1.97 -3.44 116.42 116.00 2kwc h ASP 102 Ca -0.10 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.31 2kwc h ASP 102 Cb 0.72 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.23 2kwc h ASP 102 CO 0.16 0.00 0.00 0.61 -3.12 0.00 0.00 179.24 176.89 2kwc n GLY 103 N -1.38 3.12 3.40 2.75 0.00 -0.85 -4.44 105.19 107.79 2kwc n GLY 103 Ca 0.03 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.77 2kwc n GLY 103 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 2kwc n PHE 104 N -1.41 -1.67 -4.86 1.61 3.72 -1.26 -4.35 117.46 109.25 2kwc n PHE 104 Ca 0.00 -0.21 -0.33 0.00 -0.05 0.00 0.00 57.45 56.86 2kwc n PHE 104 Cb 0.00 -1.62 -0.14 0.00 -0.94 0.00 0.00 39.48 36.78 2kwc n PHE 104 CO 0.00 0.00 0.00 -1.17 -0.05 0.00 0.00 176.76 175.54 2kwc s LEU 105 N -6.37 2.69 -0.41 4.37 1.98 -1.25 -2.54 118.68 117.15 2kwc s LEU 105 Ca 0.66 -0.27 -0.09 0.00 -2.89 0.00 0.00 54.13 51.54 2kwc s LEU 105 Cb -0.22 -1.57 0.07 0.00 0.66 0.00 0.00 46.19 45.13 2kwc s LEU 105 CO 0.65 0.26 0.25 -0.31 -1.89 0.00 0.00 176.35 175.30 2kwc s TYR 106 N -0.19 3.33 0.04 5.38 1.51 -1.26 -2.10 117.35 124.06 2kwc s TYR 106 Ca -0.00 -1.49 -0.01 0.00 -1.01 0.00 0.00 57.07 54.55 2kwc s TYR 106 Cb -0.13 -2.90 -0.03 0.00 -0.11 0.00 0.00 41.96 38.79 2kwc s TYR 106 CO 0.03 -0.83 -0.01 0.54 -1.11 0.00 0.00 175.55 174.17 2kwc s VAL 107 N 1.43 0.16 -0.22 0.71 0.11 -1.23 -4.16 120.40 117.20 2kwc s VAL 107 Ca 0.03 -1.33 -0.17 0.00 -2.93 0.00 0.00 61.98 57.58 2kwc s VAL 107 Cb -0.23 -0.91 0.06 0.00 -1.53 0.00 0.00 36.38 33.77 2kwc s VAL 107 CO 0.02 -0.73 0.56 -0.89 -3.33 0.00 0.00 175.10 170.73 2kwc s THR 108 N -2.72 -0.01 0.37 5.04 2.01 -0.50 -2.05 115.64 117.78 2kwc s THR 108 Ca -0.04 0.02 0.03 0.00 0.31 0.00 0.00 61.69 62.01 2kwc s THR 108 Cb -0.01 -0.80 0.03 0.00 0.01 0.00 0.00 72.50 71.73 2kwc s THR 108 CO -0.06 0.01 0.27 0.00 -0.69 0.00 0.00 174.62 174.15 2kwc n TYR 109 N 3.43 -0.84 -3.64 4.92 0.18 -1.23 0.20 117.16 120.18 2kwc n TYR 109 Ca -0.17 -1.56 -0.05 0.00 1.88 0.00 0.00 57.90 58.00 2kwc n TYR 109 Cb 0.57 -0.30 -0.07 0.00 -0.38 0.00 0.00 39.34 39.16 2kwc n TYR 109 CO 0.00 0.00 0.00 -1.54 -2.08 0.00 0.00 176.86 173.24 2kwc s SER 110 N -3.15 -0.40 0.66 9.48 1.04 0.07 -3.36 113.70 118.03 2kwc s SER 110 Ca 0.20 0.70 0.27 0.00 0.48 0.00 0.00 55.95 57.60 2kwc s SER 110 Cb -0.02 0.95 1.45 0.00 0.10 0.00 0.00 66.02 68.50 2kwc s SER 110 CO 0.13 -0.11 1.82 1.23 0.98 0.00 0.00 173.24 177.28 2kwc h GLY 111 N 4.99 0.00 -2.84 7.32 0.00 -1.86 -0.71 103.07 109.96 2kwc h GLY 111 Ca -0.28 0.00 -0.51 0.00 0.00 0.00 0.00 47.33 46.54 2kwc h GLY 111 CO 0.17 0.00 -0.54 1.85 0.00 0.00 0.00 176.54 178.01 2kwc s GLU 112 N -4.14 2.83 -1.37 4.80 2.56 -1.26 -4.21 118.70 117.91 2kwc s GLU 112 Ca -0.03 -1.12 -0.06 0.00 0.00 0.00 0.00 54.97 53.76 2kwc s GLU 112 Cb 0.09 -2.50 0.09 0.00 2.00 0.00 0.00 34.13 33.80 2kwc s GLU 112 CO 0.28 0.39 2.45 -1.71 -0.56 0.00 0.00 175.26 176.10 2kwc n ASN 113 N -1.14 7.99 -4.22 -1.70 2.85 -1.26 -4.34 115.26 113.45 2kwc n ASN 113 Ca -0.07 -3.05 -0.16 0.00 -0.11 0.00 0.00 54.58 51.18 2kwc n ASN 113 Cb 0.58 -1.40 -0.11 0.00 1.24 0.00 0.00 39.78 40.09 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 -0.52 1.16 -2.35 -0.44 -4.23 -1.26 -5.02 115.64 102.98 2kwc s THR 114 Ca 0.56 -1.71 0.23 0.00 -1.18 0.00 0.00 61.69 59.59 2kwc s THR 114 Cb 0.18 -1.48 0.49 0.00 1.34 0.00 0.00 72.50 73.03 2kwc s THR 114 CO -0.08 -0.50 1.62 0.49 -0.54 0.00 0.00 174.62 175.61 2kwc n PHE 115 N 0.49 0.14 0.00 3.99 3.01 -1.26 -4.85 117.46 118.98 2kwc n PHE 115 Ca -0.15 -0.07 0.00 0.00 1.01 0.00 0.00 57.45 58.24 2kwc n PHE 115 Cb 0.58 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 40.05 2kwc n PHE 115 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18