#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 1.78 -2.07 0.03 5.02 -1.26 -4.84 118.16 116.82 2kwc n LYS 2 Ca 0.00 -0.46 -0.36 0.00 -2.02 0.00 0.00 58.31 55.47 2kwc n LYS 2 Cb 0.00 0.13 0.02 0.00 -0.02 0.00 0.00 35.03 35.17 2kwc n LYS 2 CO 0.00 0.00 0.00 -1.12 -0.52 0.00 0.00 177.40 175.76 2kwc s SER 3 N -1.35 5.35 0.02 4.39 0.01 -1.26 -4.94 113.70 115.93 2kwc s SER 3 Ca 0.00 2.35 0.22 0.00 1.31 0.00 0.00 55.95 59.84 2kwc s SER 3 Cb 0.00 -2.60 -0.05 0.00 0.21 0.00 0.00 66.02 63.58 2kwc s SER 3 CO 0.00 -1.48 0.94 0.35 0.41 0.00 0.00 173.24 173.46 2kwc n THR 4 N -1.46 0.08 -0.61 1.44 -2.24 -1.26 -4.33 114.28 105.90 2kwc n THR 4 Ca 0.13 -0.19 0.47 0.00 -2.27 0.00 0.00 64.05 62.18 2kwc n THR 4 Cb 0.50 0.41 0.72 0.00 -2.10 0.00 0.00 70.33 69.86 2kwc n THR 4 CO 0.00 0.00 0.00 0.49 -0.57 0.00 0.00 175.07 174.99 2kwc n PHE 5 N -1.83 0.08 0.19 4.78 3.01 -1.26 0.16 117.46 122.58 2kwc n PHE 5 Ca 0.02 0.08 -0.12 0.00 1.01 0.00 0.00 57.45 58.43 2kwc n PHE 5 Cb 0.42 -0.52 -0.07 0.00 -0.01 0.00 0.00 39.48 39.29 2kwc n PHE 5 CO 0.00 0.00 0.00 0.87 1.01 0.00 0.00 176.76 178.64 2kwc h LYS 6 N 0.00 -0.51 0.00 -1.08 1.57 -1.75 -2.48 116.57 112.32 2kwc h LYS 6 Ca 0.84 0.03 0.00 0.00 -1.87 0.00 0.00 60.65 59.65 2kwc h LYS 6 Cb 3.29 0.11 0.00 0.00 0.08 0.00 0.00 32.23 35.72 2kwc h LYS 6 CO -0.06 -0.19 -0.03 0.77 -0.57 0.00 0.00 179.45 179.37 2kwc h SER 7 N -0.94 0.00 -0.98 0.86 0.02 0.12 -3.38 113.55 109.25 2kwc h SER 7 Ca -0.05 0.00 0.15 0.00 -0.84 0.00 0.00 61.79 61.04 2kwc h SER 7 Cb 0.55 0.00 -0.15 0.00 0.14 0.00 0.00 62.40 62.93 2kwc h SER 7 CO 0.09 0.19 -0.40 -0.62 -1.14 0.00 0.00 176.83 174.94 2kwc n GLU 8 N -2.98 -0.25 -4.13 3.45 -0.58 0.34 -4.47 120.64 112.02 2kwc n GLU 8 Ca -0.00 1.51 -0.22 0.00 -0.42 0.00 0.00 57.16 58.02 2kwc n GLU 8 Cb 0.01 -2.24 -0.05 0.00 -0.57 0.00 0.00 31.44 28.60 2kwc n GLU 8 CO 0.00 0.00 0.00 0.71 -0.48 0.00 0.00 177.13 177.36 2kwc s TYR 9 N -5.89 3.07 0.65 -0.32 2.02 -0.93 -4.99 117.35 110.95 2kwc s TYR 9 Ca -0.13 -0.11 -0.13 0.00 -0.37 0.00 0.00 57.07 56.33 2kwc s TYR 9 Cb 0.19 -1.39 -0.01 0.00 -0.40 0.00 0.00 41.96 40.35 2kwc s TYR 9 CO 0.69 0.53 1.06 -1.25 -1.57 0.00 0.00 175.55 175.01 2kwc s PRO 10 N -3.74 3.13 0.41 -1.71 0.04 -1.26 -4.01 135.00 127.86 2kwc s PRO 10 Ca 0.32 1.05 0.20 0.00 0.04 0.00 0.00 61.00 62.61 2kwc s PRO 10 Cb -0.08 -2.01 0.84 0.00 0.04 0.00 0.00 34.50 33.28 2kwc s PRO 10 CO 0.24 -0.95 1.81 0.35 0.04 0.00 0.00 177.00 178.49 2kwc h PHE 11 N -0.21 0.00 0.00 0.56 3.04 -1.83 -2.25 116.94 116.24 2kwc h PHE 11 Ca -0.45 0.00 0.00 0.00 3.98 0.00 0.00 57.97 61.50 2kwc h PHE 11 Cb 1.21 0.00 0.00 0.00 2.56 0.00 0.00 35.95 39.72 2kwc h PHE 11 CO 0.61 0.31 0.00 1.49 -2.02 0.00 0.00 178.31 178.70 2kwc h GLU 12 N 0.00 0.00 0.43 1.11 4.81 -1.97 -3.01 114.58 115.94 2kwc h GLU 12 Ca -0.00 0.00 -0.02 0.00 -0.13 0.00 0.00 59.36 59.21 2kwc h GLU 12 Cb 0.76 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.15 2kwc h GLU 12 CO 0.04 0.00 -0.21 -0.22 -0.73 0.00 0.00 179.01 177.90 2kwc h LYS 13 N 0.00 -0.55 -0.13 1.92 1.63 -1.78 -1.78 116.57 115.88 2kwc h LYS 13 Ca 0.00 0.04 0.03 0.00 -0.85 0.00 0.00 60.65 59.87 2kwc h LYS 13 Cb 0.62 0.13 -0.04 0.00 -0.60 0.00 0.00 32.23 32.34 2kwc h LYS 13 CO 0.00 -0.37 -0.10 0.00 -3.45 0.00 0.00 179.45 175.54 2kwc h ARG 14 N -0.70 -0.10 -0.91 1.90 2.47 -1.67 -0.70 114.38 114.67 2kwc h ARG 14 Ca -0.06 0.01 0.25 0.00 -1.26 0.00 0.00 59.98 58.92 2kwc h ARG 14 Cb 0.44 0.02 -0.15 0.00 -1.65 0.00 0.00 29.97 28.63 2kwc h ARG 14 CO 0.10 -0.07 0.24 -0.22 0.56 0.00 0.00 179.97 180.57 2kwc h LYS 15 N -0.11 0.16 0.76 0.04 3.64 -1.58 0.49 116.57 119.97 2kwc h LYS 15 Ca 0.08 -0.01 -0.04 0.00 -1.27 0.00 0.00 60.65 59.41 2kwc h LYS 15 Cb 0.22 -0.04 0.01 0.00 -0.41 0.00 0.00 32.23 32.01 2kwc h LYS 15 CO -0.19 0.11 -0.37 0.00 -2.27 0.00 0.00 179.45 176.73 2kwc h ALA 16 N 1.83 -1.03 -1.90 5.00 0.00 -0.32 -0.25 119.26 122.59 2kwc h ALA 16 Ca 0.58 -0.22 0.55 0.00 0.00 0.00 0.00 54.91 55.82 2kwc h ALA 16 Cb 1.22 0.40 -0.08 0.00 0.00 0.00 0.00 17.79 19.33 2kwc h ALA 16 CO -0.70 -0.96 1.36 -1.91 0.00 0.00 0.00 179.25 177.05 2kwc n GLU 17 N -5.41 -0.00 -0.08 0.00 4.07 0.00 0.14 120.64 119.36 2kwc n GLU 17 Ca -0.13 1.04 -0.14 0.00 -0.06 0.00 0.00 57.16 57.87 2kwc n GLU 17 Cb 0.40 -2.40 -0.11 0.00 -0.06 0.00 0.00 31.44 29.28 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 0.00 -0.74 4.31 0.87 -0.75 -2.74 113.55 114.50 2kwc h SER 18 Ca 0.90 -0.73 0.21 0.00 -1.23 0.00 0.00 61.79 60.95 2kwc h SER 18 Cb 3.62 0.00 -0.03 0.00 -0.44 0.00 0.00 62.40 65.55 2kwc h SER 18 CO -0.02 1.05 0.68 -0.33 -0.53 0.00 0.00 176.83 177.68 2kwc h GLU 19 N -1.00 0.00 0.00 2.24 4.39 0.30 0.54 114.58 121.05 2kwc h GLU 19 Ca -0.08 0.00 -0.04 0.00 0.34 0.00 0.00 59.36 59.58 2kwc h GLU 19 Cb 0.94 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.58 2kwc h GLU 19 CO -0.05 0.00 -0.22 0.00 -1.16 0.00 0.00 179.01 177.58 2kwc h ARG 20 N 0.00 0.00 0.00 2.33 3.08 -1.00 -2.23 114.38 116.56 2kwc h ARG 20 Ca 0.35 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.40 2kwc h ARG 20 Cb 1.71 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.76 2kwc h ARG 20 CO -0.00 0.84 0.00 0.82 -1.07 0.00 0.00 179.97 180.56 2kwc h ILE 21 N -1.00 0.00 0.13 2.04 2.04 -0.61 0.69 117.51 120.80 2kwc h ILE 21 Ca -0.06 -0.04 -0.33 0.00 1.00 0.00 0.00 64.86 65.44 2kwc h ILE 21 Cb 0.91 0.96 -0.01 0.00 -0.74 0.00 0.00 36.82 37.94 2kwc h ILE 21 CO -0.03 0.00 -1.67 0.00 0.00 0.00 0.00 178.15 176.44 2kwc h ALA 22 N 2.00 0.31 0.00 1.87 0.00 -0.09 0.40 119.26 123.75 2kwc h ALA 22 Ca 0.00 -1.19 -0.08 0.00 0.00 0.00 0.00 54.91 53.64 2kwc h ALA 22 Cb 0.04 0.41 -0.01 0.00 0.00 0.00 0.00 17.79 18.23 2kwc h ALA 22 CO 0.00 1.17 -0.38 0.22 0.00 0.00 0.00 179.25 180.26 2kwc h ASP 23 N 0.07 0.00 0.01 0.00 3.58 -0.31 -1.26 116.42 118.51 2kwc h ASP 23 Ca -0.30 0.00 -0.34 0.00 0.42 0.00 0.00 57.03 56.81 2kwc h ASP 23 Cb 2.04 0.00 -0.05 0.00 1.72 0.00 0.00 39.33 43.04 2kwc h ASP 23 CO 0.15 0.38 -1.84 -1.14 -2.88 0.00 0.00 179.24 173.91 2kwc n ARG 24 N -3.82 0.59 -3.60 0.28 0.00 0.01 -4.77 116.66 105.34 2kwc n ARG 24 Ca -0.01 0.43 -0.28 0.00 -0.00 0.00 0.00 57.85 57.99 2kwc n ARG 24 Cb 0.45 -1.64 -0.11 0.00 0.00 0.00 0.00 32.46 31.16 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 -2.43 2.08 -1.18 -0.14 0.08 0.14 -4.92 117.98 111.61 2kwc s PHE 25 Ca -0.33 -2.72 0.22 0.00 0.12 0.00 0.00 56.93 54.23 2kwc s PHE 25 Cb 0.10 -1.64 1.02 0.00 -0.57 0.00 0.00 43.02 41.93 2kwc s PHE 25 CO 0.56 -0.72 1.72 -0.35 -0.10 0.00 0.00 175.22 176.33 2kwc n PRO 26 N 2.53 0.14 -1.15 0.24 -0.04 -0.48 -2.54 135.00 133.70 2kwc n PRO 26 Ca 0.25 0.10 -0.17 0.00 -0.04 0.00 0.00 63.50 63.64 2kwc n PRO 26 Cb 0.42 -1.50 0.22 0.00 -0.04 0.00 0.00 33.50 32.61 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 -1.41 4.07 -3.84 3.54 3.02 -1.26 -4.93 115.26 114.44 2kwc n ASN 27 Ca 0.08 -3.49 -0.24 0.00 -0.03 0.00 0.00 54.58 50.89 2kwc n ASN 27 Cb 0.22 -0.80 -0.06 0.00 -0.61 0.00 0.00 39.78 38.53 2kwc n ASN 27 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 2kwc n ARG 28 N -0.82 0.81 -3.36 3.52 5.12 -1.05 -3.41 116.66 117.46 2kwc n ARG 28 Ca 0.53 -2.96 -0.17 0.00 -1.93 0.00 0.00 57.85 53.32 2kwc n ARG 28 Cb 1.56 1.19 -0.08 0.00 -1.16 0.00 0.00 32.46 33.97 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 -2.67 -0.34 -0.95 0.55 1.01 0.49 -4.73 121.20 114.56 2kwc s ILE 29 Ca 0.09 -0.95 -0.24 0.00 0.00 0.00 0.00 60.65 59.54 2kwc s ILE 29 Cb 0.00 -0.71 0.00 0.00 0.01 0.00 0.00 42.46 41.77 2kwc s ILE 29 CO 0.06 -0.58 1.69 -2.16 0.00 0.00 0.00 174.94 173.95 2kwc s PRO 30 N 1.51 3.08 0.21 2.79 0.04 -1.26 -2.35 135.00 139.02 2kwc s PRO 30 Ca 0.16 -0.67 -0.14 0.00 0.04 0.00 0.00 61.00 60.39 2kwc s PRO 30 Cb -0.15 -5.17 -0.08 0.00 0.04 0.00 0.00 34.50 29.14 2kwc s PRO 30 CO -0.06 -2.76 0.61 0.08 0.04 0.00 0.00 177.00 174.91 2kwc s VAL 31 N 7.47 4.79 -0.60 -0.36 1.01 0.15 -4.10 120.40 128.77 2kwc s VAL 31 Ca 0.57 0.85 -0.03 0.00 0.00 0.00 0.00 61.98 63.37 2kwc s VAL 31 Cb -0.04 -3.71 0.15 0.00 0.00 0.00 0.00 36.38 32.79 2kwc s VAL 31 CO -0.04 0.10 0.41 -0.63 0.00 0.00 0.00 175.10 174.94 2kwc s ILE 32 N -1.63 3.68 0.13 2.22 -1.09 -0.91 -0.80 121.20 122.79 2kwc s ILE 32 Ca 0.43 -2.82 -0.06 0.00 -2.23 0.00 0.00 60.65 55.98 2kwc s ILE 32 Cb -0.14 -3.42 -0.06 0.00 -1.58 0.00 0.00 42.46 37.27 2kwc s ILE 32 CO 0.20 -0.85 0.37 0.00 -1.23 0.00 0.00 174.94 173.43 2kwc s GLU 34 N -2.50 0.54 0.15 0.00 2.02 -0.29 -4.46 118.70 114.16 2kwc s GLU 34 Ca 0.39 -0.87 -0.30 0.00 0.02 0.00 0.00 54.97 54.21 2kwc s GLU 34 Cb -0.12 -0.14 -0.07 0.00 0.10 0.00 0.00 34.13 33.90 2kwc s GLU 34 CO 0.23 0.00 1.03 0.21 0.02 0.00 0.00 175.26 176.75 2kwc s LYS 35 N -2.18 4.65 -0.04 1.61 2.36 -1.26 -3.13 119.74 121.76 2kwc s LYS 35 Ca -0.06 1.58 -0.30 0.00 -2.55 0.00 0.00 55.97 54.64 2kwc s LYS 35 Cb -0.06 -3.33 -0.04 0.00 -1.05 0.00 0.00 37.83 33.36 2kwc s LYS 35 CO -0.02 0.16 1.29 0.00 1.55 0.00 0.00 175.35 178.33 2kwc s ALA 36 N -0.15 3.54 0.09 3.13 0.00 -0.90 -4.92 121.76 122.55 2kwc s ALA 36 Ca 0.48 0.72 -0.20 0.00 0.00 0.00 0.00 51.96 52.96 2kwc s ALA 36 Cb -0.26 -3.55 -0.09 0.00 0.00 0.00 0.00 23.12 19.21 2kwc s ALA 36 CO 0.32 -0.84 1.63 1.05 0.00 0.00 0.00 175.76 177.92 2kwc h GLU 37 N 7.65 0.27 -0.95 0.00 4.11 -1.91 -2.53 114.58 121.21 2kwc h GLU 37 Ca -0.35 -0.05 0.25 0.00 0.07 0.00 0.00 59.36 59.28 2kwc h GLU 37 Cb 1.17 -0.04 -0.13 0.00 0.50 0.00 0.00 28.75 30.24 2kwc h GLU 37 CO 0.89 0.34 0.49 0.87 0.07 0.00 0.00 179.01 181.67 2kwc h LYS 38 N 0.14 0.42 -6.52 1.06 1.79 -1.97 -3.41 116.57 108.08 2kwc h LYS 38 Ca 0.06 -0.02 -0.31 0.00 -2.18 0.00 0.00 60.65 58.19 2kwc h LYS 38 Cb 0.17 -0.09 0.18 0.00 -1.58 0.00 0.00 32.23 30.91 2kwc h LYS 38 CO -0.00 0.27 -0.28 0.45 -1.08 0.00 0.00 179.45 178.81 2kwc n SER 39 N -5.01 -3.31 -0.26 0.86 2.88 -0.95 -4.95 113.62 102.89 2kwc n SER 39 Ca 0.26 -0.53 0.08 0.00 -1.33 0.00 0.00 58.87 57.34 2kwc n SER 39 Cb 0.76 -0.91 0.13 0.00 -0.75 0.00 0.00 64.21 63.44 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 -3.33 1.93 -4.91 -3.46 9.92 -1.26 -5.03 116.55 110.41 2kwc n ASP 40 Ca 0.08 -3.09 -0.27 0.00 -0.53 0.00 0.00 54.79 50.98 2kwc n ASP 40 Cb 0.48 -0.42 -0.02 0.00 -0.64 0.00 0.00 41.12 40.52 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 -2.54 5.00 0.23 0.53 -4.36 -1.26 -5.06 121.20 113.74 2kwc s ILE 41 Ca 0.30 0.00 -0.30 0.00 -0.26 0.00 0.00 60.65 60.39 2kwc s ILE 41 Cb 0.27 -3.80 -0.09 0.00 1.25 0.00 0.00 42.46 40.09 2kwc s ILE 41 CO 0.00 -0.52 1.10 -2.16 0.24 0.00 0.00 174.94 173.59 2kwc s PRO 42 N -4.05 4.63 1.14 0.37 0.04 -1.26 -5.01 135.00 130.85 2kwc s PRO 42 Ca 0.44 1.76 -0.13 0.00 0.04 0.00 0.00 61.00 63.11 2kwc s PRO 42 Cb -0.10 -3.23 0.27 0.00 0.04 0.00 0.00 34.50 31.48 2kwc s PRO 42 CO 0.35 0.16 1.04 -2.00 0.04 0.00 0.00 177.00 176.59 2kwc s GLU 43 N -0.94 -0.73 0.55 4.56 2.12 -1.26 -4.88 118.70 118.13 2kwc s GLU 43 Ca 0.47 0.78 0.04 0.00 0.36 0.00 0.00 54.97 56.61 2kwc s GLU 43 Cb -0.31 -1.58 0.04 0.00 0.26 0.00 0.00 34.13 32.54 2kwc s GLU 43 CO 0.38 -3.58 0.33 0.96 -0.54 0.00 0.00 175.26 172.81 2kwc s ILE 44 N -2.55 1.45 0.03 -3.70 -4.36 -1.26 -4.93 121.20 105.87 2kwc s ILE 44 Ca 0.68 -1.60 -0.25 0.00 -0.26 0.00 0.00 60.65 59.22 2kwc s ILE 44 Cb -0.24 -2.05 -0.14 0.00 1.25 0.00 0.00 42.46 41.29 2kwc s ILE 44 CO 0.63 0.00 1.21 0.44 0.24 0.00 0.00 174.94 177.47 2kwc h ASP 45 N 0.83 -0.76 -2.72 4.36 3.32 -1.97 -3.48 116.42 116.00 2kwc h ASP 45 Ca -0.38 0.03 -0.11 0.00 0.02 0.00 0.00 57.03 56.58 2kwc h ASP 45 Cb 1.31 0.20 -0.02 0.00 0.22 0.00 0.00 39.33 41.03 2kwc h ASP 45 CO 0.60 -0.48 0.01 2.29 -1.72 0.00 0.00 179.24 179.94 2kwc n LYS 46 N -4.74 0.52 -3.70 3.56 2.85 -1.26 -5.13 118.16 110.27 2kwc n LYS 46 Ca -0.11 -1.56 -0.38 0.00 -1.05 0.00 0.00 58.31 55.21 2kwc n LYS 46 Cb 0.35 1.64 -0.11 0.00 -0.65 0.00 0.00 35.03 36.27 2kwc n LYS 46 CO 0.00 0.00 0.00 1.03 -0.05 0.00 0.00 177.40 178.38 2kwc s ARG 47 N -2.32 2.28 -0.29 -1.58 0.52 -1.26 -5.00 118.95 111.29 2kwc s ARG 47 Ca 0.15 -1.68 0.02 0.00 -0.52 0.00 0.00 55.73 53.69 2kwc s ARG 47 Cb -0.01 -3.67 0.19 0.00 0.52 0.00 0.00 34.95 31.97 2kwc s ARG 47 CO 0.11 -1.04 0.56 0.21 0.02 0.00 0.00 175.30 175.16 2kwc s LYS 48 N 1.26 0.54 -0.41 3.54 2.20 -1.26 -4.76 119.74 120.85 2kwc s LYS 48 Ca 0.05 0.71 0.02 0.00 -0.36 0.00 0.00 55.97 56.40 2kwc s LYS 48 Cb -0.23 0.29 0.12 0.00 -1.51 0.00 0.00 37.83 36.49 2kwc s LYS 48 CO -0.02 -0.84 0.18 0.71 -0.36 0.00 0.00 175.35 175.02 2kwc s TYR 49 N 2.80 2.48 -0.73 4.03 1.51 0.01 -5.00 117.35 122.45 2kwc s TYR 49 Ca 0.15 -2.54 -0.17 0.00 -1.01 0.00 0.00 57.07 53.50 2kwc s TYR 49 Cb -0.13 -2.23 0.15 0.00 -0.11 0.00 0.00 41.96 39.64 2kwc s TYR 49 CO -0.24 -0.82 0.81 -1.17 -1.11 0.00 0.00 175.55 173.02 2kwc s LEU 50 N 0.58 5.77 0.19 -1.29 2.96 -1.26 0.31 118.68 125.94 2kwc s LEU 50 Ca 0.15 -1.97 0.08 0.00 -0.22 0.00 0.00 54.13 52.17 2kwc s LEU 50 Cb -0.22 -2.29 -0.04 0.00 0.50 0.00 0.00 46.19 44.13 2kwc s LEU 50 CO -0.06 -0.93 -0.04 0.68 -1.32 0.00 0.00 176.35 174.68 2kwc s VAL 51 N 1.87 3.47 0.98 1.68 -7.23 -0.99 -4.86 120.40 115.32 2kwc s VAL 51 Ca 0.18 -1.60 -0.14 0.00 -1.81 0.00 0.00 61.98 58.60 2kwc s VAL 51 Cb -0.16 -2.76 0.18 0.00 0.56 0.00 0.00 36.38 34.20 2kwc s VAL 51 CO -0.02 -0.16 1.17 -2.16 -0.31 0.00 0.00 175.10 173.62 2kwc s PRO 52 N -3.03 0.58 -0.08 4.82 0.04 -1.26 0.18 135.00 136.26 2kwc s PRO 52 Ca 0.27 0.08 0.08 0.00 0.04 0.00 0.00 61.00 61.47 2kwc s PRO 52 Cb -0.09 -1.79 0.36 0.00 0.04 0.00 0.00 34.50 33.02 2kwc s PRO 52 CO 0.18 -2.53 1.14 0.00 0.04 0.00 0.00 177.00 175.82 2kwc n ALA 53 N -3.96 2.95 0.25 8.56 0.00 -1.22 -3.20 120.51 123.89 2kwc n ALA 53 Ca 0.10 -0.81 0.03 0.00 0.00 0.00 0.00 53.44 52.75 2kwc n ALA 53 Cb 0.59 -1.03 -0.04 0.00 0.00 0.00 0.00 19.45 18.97 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 0.36 0.83 -4.88 0.00 8.00 -1.26 -4.58 116.55 115.01 2kwc n ASP 54 Ca 0.13 -0.54 -0.30 0.00 0.71 0.00 0.00 54.79 54.79 2kwc n ASP 54 Cb 0.58 1.05 -0.02 0.00 -0.02 0.00 0.00 41.12 42.71 2kwc n ASP 54 CO 0.00 0.00 0.00 -0.22 -0.39 0.00 0.00 177.20 176.59 2kwc s LEU 55 N -2.48 3.72 0.37 0.64 0.20 -1.19 -4.99 118.68 114.95 2kwc s LEU 55 Ca 0.02 1.12 0.08 0.00 0.69 0.00 0.00 54.13 56.03 2kwc s LEU 55 Cb 0.05 -4.03 -0.05 0.00 -0.43 0.00 0.00 46.19 41.72 2kwc s LEU 55 CO 0.26 -0.49 0.13 0.42 -0.29 0.00 0.00 176.35 176.38 2kwc s THR 56 N -2.54 2.61 0.25 3.68 -4.23 -1.26 -2.08 115.64 112.07 2kwc s THR 56 Ca 0.51 -1.76 -0.02 0.00 -1.18 0.00 0.00 61.69 59.23 2kwc s THR 56 Cb -0.10 -2.94 0.23 0.00 1.34 0.00 0.00 72.50 71.03 2kwc s THR 56 CO 0.37 -0.11 1.74 0.58 -0.54 0.00 0.00 174.62 176.66 2kwc h VAL 57 N 1.56 0.69 -0.63 2.29 2.07 -0.67 -2.20 116.25 119.35 2kwc h VAL 57 Ca -0.43 -0.18 0.06 0.00 0.82 0.00 0.00 66.70 66.97 2kwc h VAL 57 Cb 1.25 0.11 -0.08 0.00 -1.52 0.00 0.00 31.29 31.05 2kwc h VAL 57 CO 0.67 0.10 -0.43 1.23 0.02 0.00 0.00 177.57 179.16 2kwc h GLY 58 N 0.53 -1.33 -0.46 2.17 0.00 -0.86 0.20 103.07 103.32 2kwc h GLY 58 Ca 0.44 0.87 0.14 0.00 0.00 0.00 0.00 47.33 48.78 2kwc h GLY 58 CO -0.39 -0.26 -0.19 1.46 0.00 0.00 0.00 176.54 177.17 2kwc h GLN 59 N -0.07 -0.00 -0.66 4.80 4.20 -1.66 0.23 115.11 121.94 2kwc h GLN 59 Ca 0.10 0.00 0.14 0.00 0.06 0.00 0.00 58.65 58.95 2kwc h GLN 59 Cb 0.33 0.00 -0.11 0.00 0.30 0.00 0.00 27.48 28.00 2kwc h GLN 59 CO -0.63 -0.00 0.00 0.35 -0.67 0.00 0.00 178.83 177.88 2kwc h PHE 60 N -0.00 -0.04 -0.86 2.96 3.57 -0.55 0.86 116.94 122.88 2kwc h PHE 60 Ca 0.35 0.05 0.22 0.00 3.53 0.00 0.00 57.97 62.12 2kwc h PHE 60 Cb 0.53 0.12 -0.05 0.00 2.79 0.00 0.00 35.95 39.35 2kwc h PHE 60 CO -0.58 -0.19 0.59 0.28 -2.23 0.00 0.00 178.31 176.18 2kwc h VAL 61 N 0.12 0.63 0.00 1.41 2.07 0.57 0.24 116.25 121.28 2kwc h VAL 61 Ca 0.35 -0.06 -0.03 0.00 0.82 0.00 0.00 66.70 67.78 2kwc h VAL 61 Cb 0.58 0.43 -0.00 0.00 -1.52 0.00 0.00 31.29 30.78 2kwc h VAL 61 CO -0.57 0.03 -0.14 0.22 0.02 0.00 0.00 177.57 177.13 2kwc h TYR 62 N 0.19 0.00 -0.82 1.57 3.20 0.83 -2.72 116.97 119.22 2kwc h TYR 62 Ca 0.43 0.00 0.20 0.00 3.14 0.00 0.00 58.73 62.50 2kwc h TYR 62 Cb 1.39 0.00 -0.13 0.00 1.54 0.00 0.00 36.73 39.53 2kwc h TYR 62 CO -0.00 1.01 0.18 0.28 -1.64 0.00 0.00 178.16 177.99 2kwc h VAL 63 N -1.00 0.38 0.39 1.81 2.07 0.64 0.83 116.25 121.38 2kwc h VAL 63 Ca -0.04 -0.07 -0.02 0.00 0.82 0.00 0.00 66.70 67.39 2kwc h VAL 63 Cb 0.99 0.15 0.00 0.00 -1.52 0.00 0.00 31.29 30.92 2kwc h VAL 63 CO -0.02 0.04 -0.19 0.40 0.02 0.00 0.00 177.57 177.82 2kwc h ILE 64 N 0.22 0.59 -0.65 4.57 5.03 -1.12 -2.09 117.51 124.06 2kwc h ILE 64 Ca 0.48 -0.40 0.19 0.00 -0.12 0.00 0.00 64.86 65.01 2kwc h ILE 64 Cb 0.91 0.78 -0.03 0.00 -3.03 0.00 0.00 36.82 35.46 2kwc h ILE 64 CO -0.61 0.07 0.82 -0.09 -0.68 0.00 0.00 178.15 177.66 2kwc h ARG 65 N -0.76 0.00 0.13 2.37 2.43 -0.64 1.15 114.38 119.06 2kwc h ARG 65 Ca -0.05 0.00 -0.18 0.00 -0.81 0.00 0.00 59.98 58.93 2kwc h ARG 65 Cb 0.52 0.00 0.02 0.00 -0.42 0.00 0.00 29.97 30.09 2kwc h ARG 65 CO 0.09 0.00 -0.80 0.87 -1.51 0.00 0.00 179.97 178.62 2kwc h LYS 66 N 0.00 0.31 0.00 0.20 1.79 -0.36 1.46 116.57 119.97 2kwc h LYS 66 Ca 0.31 -0.51 -0.02 0.00 -2.18 0.00 0.00 60.65 58.25 2kwc h LYS 66 Cb 1.95 0.19 -0.00 0.00 -1.58 0.00 0.00 32.23 32.78 2kwc h LYS 66 CO -0.00 1.23 -0.09 0.00 -1.08 0.00 0.00 179.45 179.51 2kwc h ARG 67 N -0.35 0.00 -0.00 3.15 2.47 0.19 -1.48 114.38 118.36 2kwc h ARG 67 Ca -0.14 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.58 2kwc h ARG 67 Cb 1.62 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 29.94 2kwc h ARG 67 CO 0.15 0.09 -0.51 0.44 0.56 0.00 0.00 179.97 180.70 2kwc n ILE 68 N -4.01 0.00 -4.21 2.04 -5.35 0.10 -4.82 119.36 103.12 2kwc n ILE 68 Ca -0.02 -0.24 -0.37 0.00 -0.27 0.00 0.00 62.75 61.84 2kwc n ILE 68 Cb 0.18 1.05 -0.05 0.00 -1.74 0.00 0.00 39.64 39.08 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 -0.98 -0.63 -1.15 6.28 0.00 0.49 -4.88 117.12 116.25 2kwc n MET 69 Ca 0.03 0.07 -0.30 0.00 0.00 0.00 0.00 57.70 57.50 2kwc n MET 69 Cb 0.23 -3.04 0.13 0.00 0.00 0.00 0.00 33.22 30.54 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 -7.38 2.40 0.65 3.17 1.43 -0.65 -5.01 118.68 113.30 2kwc s LEU 70 Ca 0.20 1.61 -0.13 0.00 -1.03 0.00 0.00 54.13 54.79 2kwc s LEU 70 Cb -0.11 -4.07 -0.01 0.00 0.03 0.00 0.00 46.19 42.03 2kwc s LEU 70 CO 0.97 -2.61 1.06 -2.16 0.23 0.00 0.00 176.35 173.84 2kwc s PRO 71 N -4.89 3.12 0.00 1.29 0.04 -1.26 -4.93 135.00 128.37 2kwc s PRO 71 Ca 0.63 1.03 0.24 0.00 0.04 0.00 0.00 61.00 62.94 2kwc s PRO 71 Cb -0.18 -2.01 1.37 0.00 0.04 0.00 0.00 34.50 33.72 2kwc s PRO 71 CO 0.57 -0.96 1.78 -0.35 0.04 0.00 0.00 177.00 178.08 2kwc n PRO 72 N -2.70 0.66 -0.00 0.56 -0.04 -1.26 -2.15 135.00 130.07 2kwc n PRO 72 Ca 0.08 0.01 0.11 0.00 -0.04 0.00 0.00 63.50 63.66 2kwc n PRO 72 Cb 0.53 -1.50 -0.14 0.00 -0.04 0.00 0.00 33.50 32.35 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 -1.06 0.47 -2.57 0.54 0.28 -1.26 -4.96 120.64 112.08 2kwc n GLU 73 Ca 0.16 -0.13 -0.23 0.00 -0.16 0.00 0.00 57.16 56.80 2kwc n GLU 73 Cb 0.10 -1.53 0.10 0.00 1.43 0.00 0.00 31.44 31.55 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 -3.37 1.75 -0.26 3.44 1.02 -0.91 -5.11 119.74 116.29 2kwc s LYS 74 Ca -0.03 -1.06 -0.02 0.00 0.02 0.00 0.00 55.97 54.88 2kwc s LYS 74 Cb 0.14 -2.33 0.15 0.00 -0.52 0.00 0.00 37.83 35.27 2kwc s LYS 74 CO 0.89 -1.40 0.45 0.00 -0.92 0.00 0.00 175.35 174.38 2kwc s ALA 75 N -3.12 -1.48 0.02 5.17 0.00 -1.26 -4.91 121.76 116.17 2kwc s ALA 75 Ca 0.65 1.25 -0.13 0.00 0.00 0.00 0.00 51.96 53.73 2kwc s ALA 75 Cb -0.06 -1.83 -0.06 0.00 0.00 0.00 0.00 23.12 21.18 2kwc s ALA 75 CO 0.44 -1.27 0.39 -1.50 0.00 0.00 0.00 175.76 173.83 2kwc s ILE 76 N 2.65 5.07 0.35 0.00 2.07 -1.26 -4.30 121.20 125.78 2kwc s ILE 76 Ca 0.15 0.70 0.08 0.00 -1.41 0.00 0.00 60.65 60.17 2kwc s ILE 76 Cb -0.15 -3.68 -0.04 0.00 0.13 0.00 0.00 42.46 38.73 2kwc s ILE 76 CO -0.17 0.50 0.22 -0.36 -1.91 0.00 0.00 174.94 173.21 2kwc s PHE 77 N -1.17 2.77 -0.05 3.50 0.08 -0.68 -4.93 117.98 117.50 2kwc s PHE 77 Ca 0.26 -0.38 0.05 0.00 0.12 0.00 0.00 56.93 56.98 2kwc s PHE 77 Cb -0.16 -1.77 -0.01 0.00 -0.57 0.00 0.00 43.02 40.52 2kwc s PHE 77 CO 0.14 0.23 -0.22 0.42 -0.10 0.00 0.00 175.22 175.70 2kwc s ILE 78 N -2.40 1.79 -0.05 0.64 -1.09 -1.26 -1.57 121.20 117.25 2kwc s ILE 78 Ca 0.40 -0.91 0.02 0.00 -2.23 0.00 0.00 60.65 57.93 2kwc s ILE 78 Cb -0.03 -1.52 0.01 0.00 -1.58 0.00 0.00 42.46 39.34 2kwc s ILE 78 CO 0.24 0.50 -0.10 -0.36 -1.23 0.00 0.00 174.94 174.00 2kwc s PHE 79 N -0.04 1.17 -0.00 3.97 0.40 0.14 -4.57 117.98 119.05 2kwc s PHE 79 Ca -0.05 -0.37 0.02 0.00 -0.60 0.00 0.00 56.93 55.93 2kwc s PHE 79 Cb -0.13 -0.87 -0.01 0.00 0.51 0.00 0.00 43.02 42.52 2kwc s PHE 79 CO 0.03 -0.20 -0.06 0.54 0.70 0.00 0.00 175.22 176.23 2kwc s VAL 80 N 0.54 0.50 -1.09 -0.44 0.11 -0.56 -1.13 120.40 118.34 2kwc s VAL 80 Ca -0.10 -0.33 -0.05 0.00 -2.93 0.00 0.00 61.98 58.57 2kwc s VAL 80 Cb -0.13 -0.43 0.04 0.00 -1.53 0.00 0.00 36.38 34.32 2kwc s VAL 80 CO 0.02 0.10 0.26 0.59 -3.33 0.00 0.00 175.10 172.74 2kwc n ASN 81 N 2.82 -3.56 -2.61 3.54 3.02 -1.26 0.16 115.26 117.37 2kwc n ASN 81 Ca -0.14 -0.09 -0.18 0.00 -0.03 0.00 0.00 54.58 54.14 2kwc n ASN 81 Cb 0.58 -2.99 0.04 0.00 -0.61 0.00 0.00 39.78 36.80 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 -2.04 -5.30 -2.01 6.41 -0.08 -1.26 -4.99 116.55 107.29 2kwc n ASP 82 Ca -0.06 -0.30 -0.08 0.00 -1.51 0.00 0.00 54.79 52.84 2kwc n ASP 82 Cb 0.56 -4.06 -0.03 0.00 2.34 0.00 0.00 41.12 39.94 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 -4.34 0.00 -3.41 5.18 5.66 0.42 -5.11 114.28 112.67 2kwc n THR 83 Ca -0.06 -0.93 -0.22 0.00 -3.05 0.00 0.00 64.05 59.80 2kwc n THR 83 Cb 0.58 0.43 -0.10 0.00 -1.55 0.00 0.00 70.33 69.69 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 0.26 0.89 1.09 2.96 -1.26 -1.49 118.68 121.12 2kwc s LEU 84 Ca 0.13 -1.57 -0.12 0.00 -0.22 0.00 0.00 54.13 52.35 2kwc s LEU 84 Cb 0.01 0.19 0.13 0.00 0.50 0.00 0.00 46.19 47.01 2kwc s LEU 84 CO 0.09 -0.32 1.13 -2.16 -1.32 0.00 0.00 176.35 173.78 2kwc s PRO 85 N 1.57 1.31 0.92 0.98 0.04 -1.26 -5.05 135.00 133.50 2kwc s PRO 85 Ca 0.15 0.35 -0.12 0.00 0.04 0.00 0.00 61.00 61.42 2kwc s PRO 85 Cb -0.17 -1.85 0.14 0.00 0.04 0.00 0.00 34.50 32.66 2kwc s PRO 85 CO -0.11 -2.09 1.14 -1.25 0.04 0.00 0.00 177.00 174.73 2kwc s PRO 86 N -5.26 1.09 0.33 0.56 0.04 -1.26 -4.97 135.00 125.52 2kwc s PRO 86 Ca 0.63 0.27 0.23 0.00 0.04 0.00 0.00 61.00 62.17 2kwc s PRO 86 Cb -0.15 -1.83 0.18 0.00 0.04 0.00 0.00 34.50 32.74 2kwc s PRO 86 CO 0.53 -2.23 1.34 0.00 0.04 0.00 0.00 177.00 176.69 2kwc h THR 87 N -1.52 0.00 0.00 1.26 1.03 -1.97 -3.24 112.91 108.47 2kwc h THR 87 Ca -0.50 -0.99 -0.17 0.00 -0.01 0.00 0.00 66.41 64.73 2kwc h THR 87 Cb 1.33 1.75 -0.02 0.00 -1.07 0.00 0.00 68.15 70.14 2kwc h THR 87 CO 0.61 0.00 -0.81 0.00 -0.01 0.00 0.00 175.52 175.31 2kwc h ALA 88 N 2.01 0.51 -1.38 0.00 0.00 -1.95 0.20 119.26 118.65 2kwc h ALA 88 Ca 0.00 -0.73 -0.65 0.00 0.00 0.00 0.00 54.91 53.53 2kwc h ALA 88 Cb 1.00 -0.13 0.11 0.00 0.00 0.00 0.00 17.79 18.77 2kwc h ALA 88 CO 0.00 1.01 -0.26 0.00 0.00 0.00 0.00 179.25 180.00 2kwc n ALA 89 N -2.32 -1.87 -2.53 0.00 0.00 -1.22 -4.62 120.51 107.95 2kwc n ALA 89 Ca 0.01 0.42 -0.39 0.00 0.00 0.00 0.00 53.44 53.48 2kwc n ALA 89 Cb 0.84 -1.77 -0.06 0.00 0.00 0.00 0.00 19.45 18.47 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 1.97 4.40 0.39 0.00 2.96 -1.26 -0.52 118.68 126.61 2kwc s LEU 90 Ca 0.63 1.09 0.26 0.00 -0.22 0.00 0.00 54.13 55.88 2kwc s LEU 90 Cb -0.85 -2.86 1.41 0.00 0.50 0.00 0.00 46.19 44.39 2kwc s LEU 90 CO 0.57 0.10 1.79 0.24 -1.32 0.00 0.00 176.35 177.74 2kwc h MET 91 N 5.76 0.00 0.09 1.98 2.86 -1.72 0.31 114.93 124.21 2kwc h MET 91 Ca -0.45 0.00 -0.15 0.00 -2.06 0.00 0.00 59.70 57.04 2kwc h MET 91 Cb 1.20 0.00 0.01 0.00 0.06 0.00 0.00 31.60 32.87 2kwc h MET 91 CO 0.70 0.00 -0.71 0.66 1.06 0.00 0.00 176.91 178.62 2kwc h SER 92 N 0.00 0.28 0.66 1.22 4.64 -1.81 -2.17 113.55 116.37 2kwc h SER 92 Ca 0.00 -0.92 -0.14 0.00 -0.47 0.00 0.00 61.79 60.26 2kwc h SER 92 Cb 0.02 -0.09 -0.02 0.00 -0.31 0.00 0.00 62.40 62.00 2kwc h SER 92 CO 0.00 1.33 -0.67 0.00 -0.87 0.00 0.00 176.83 176.61 2kwc h ALA 93 N -0.01 0.88 0.48 5.18 0.00 -1.61 -1.81 119.26 122.38 2kwc h ALA 93 Ca -0.14 -0.61 -0.02 0.00 0.00 0.00 0.00 54.91 54.13 2kwc h ALA 93 Cb 1.45 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 19.14 2kwc h ALA 93 CO 0.06 0.84 -0.23 0.82 0.00 0.00 0.00 179.25 180.74 2kwc h ILE 94 N 0.01 0.00 0.00 0.00 1.08 -0.54 -2.82 117.51 115.24 2kwc h ILE 94 Ca -0.01 -0.39 0.00 0.00 -0.39 0.00 0.00 64.86 64.07 2kwc h ILE 94 Cb 1.19 0.00 0.00 0.00 -3.07 0.00 0.00 36.82 34.94 2kwc h ILE 94 CO 0.09 0.00 0.03 0.22 -0.69 0.00 0.00 178.15 177.79 2kwc h TYR 95 N -1.04 0.00 -0.18 1.37 5.03 -1.45 0.90 116.97 121.60 2kwc h TYR 95 Ca -0.07 0.00 -0.20 0.00 2.58 0.00 0.00 58.73 61.04 2kwc h TYR 95 Cb 0.50 0.00 0.00 0.00 1.55 0.00 0.00 36.73 38.78 2kwc h TYR 95 CO 0.02 0.00 -0.69 1.96 -1.32 0.00 0.00 178.16 178.13 2kwc h GLN 96 N 0.00 0.74 -0.02 1.82 4.20 -1.19 0.45 115.11 121.11 2kwc h GLN 96 Ca 0.00 -0.55 0.00 0.00 0.06 0.00 0.00 58.65 58.16 2kwc h GLN 96 Cb 0.05 0.10 0.00 0.00 0.30 0.00 0.00 27.48 27.93 2kwc h GLN 96 CO 0.00 1.17 -0.04 0.39 -0.67 0.00 0.00 178.83 179.68 2kwc n GLU 97 N -3.94 1.30 -0.03 1.46 1.02 -0.13 -4.33 120.64 116.00 2kwc n GLU 97 Ca -0.06 -1.37 0.01 0.00 -0.02 0.00 0.00 57.16 55.73 2kwc n GLU 97 Cb 0.70 -1.30 -0.10 0.00 -0.02 0.00 0.00 31.44 30.72 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 0.76 0.00 -1.39 -0.32 8.25 0.30 -5.02 115.22 117.80 2kwc n HIS 98 Ca 0.09 0.00 -0.47 0.00 -0.26 0.00 0.00 57.72 57.08 2kwc n HIS 98 Cb 0.39 -0.41 -0.03 0.00 1.12 0.00 0.00 29.99 31.06 2kwc n HIS 98 CO 0.00 0.00 0.00 1.17 0.64 0.00 0.00 176.34 178.15 2kwc n LYS 99 N -2.15 0.04 -3.15 -0.41 0.00 0.16 -4.78 118.16 107.87 2kwc n LYS 99 Ca -0.09 0.01 -0.21 0.00 0.00 0.00 0.00 58.31 58.02 2kwc n LYS 99 Cb 0.56 -1.03 0.06 0.00 0.00 0.00 0.00 35.03 34.63 2kwc n LYS 99 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.40 173.93 2kwc n ASP 100 N 2.01 2.26 0.16 3.14 -0.08 -1.18 -4.96 116.55 117.90 2kwc n ASP 100 Ca 0.17 -2.63 0.13 0.00 -1.51 0.00 0.00 54.79 50.95 2kwc n ASP 100 Cb 0.27 -0.38 0.49 0.00 2.34 0.00 0.00 41.12 43.84 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 0.00 0.00 -0.67 1.57 -1.92 -2.11 116.57 113.43 2kwc h LYS 101 Ca -0.29 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.48 2kwc h LYS 101 Cb 1.29 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 33.59 2kwc h LYS 101 CO 0.42 0.00 -0.77 0.22 -0.57 0.00 0.00 179.45 178.75 2kwc h ASP 102 N 0.00 0.00 0.00 0.86 1.82 -1.94 -3.49 116.42 113.67 2kwc h ASP 102 Ca 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.64 2kwc h ASP 102 Cb 0.52 0.00 0.00 0.00 0.68 0.00 0.00 39.33 40.53 2kwc h ASP 102 CO 0.00 0.05 0.00 0.61 -1.61 0.00 0.00 179.24 178.29 2kwc n GLY 103 N 1.18 2.07 3.04 -0.78 0.00 -0.80 -4.09 105.19 105.81 2kwc n GLY 103 Ca 0.00 -0.71 -0.23 0.00 0.00 0.00 0.00 46.02 45.08 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 0.00 -1.78 -4.20 1.61 3.72 -1.26 -3.64 117.46 111.91 2kwc n PHE 104 Ca 0.00 0.25 -0.23 0.00 -0.05 0.00 0.00 57.45 57.42 2kwc n PHE 104 Cb 0.00 -1.42 -0.06 0.00 -0.94 0.00 0.00 39.48 37.06 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 2.36 3.51 -0.30 4.37 2.96 -1.26 -3.11 118.68 127.21 2kwc s LEU 105 Ca 0.36 -0.44 -0.00 0.00 -0.22 0.00 0.00 54.13 53.83 2kwc s LEU 105 Cb -0.03 -2.04 0.09 0.00 0.50 0.00 0.00 46.19 44.71 2kwc s LEU 105 CO 0.43 -0.02 0.07 -0.72 -1.32 0.00 0.00 176.35 174.80 2kwc s TYR 106 N -2.21 1.89 0.17 5.38 1.13 -1.26 -2.14 117.35 120.31 2kwc s TYR 106 Ca 0.32 -1.77 0.08 0.00 -1.41 0.00 0.00 57.07 54.29 2kwc s TYR 106 Cb -0.07 -1.75 -0.04 0.00 -1.10 0.00 0.00 41.96 38.99 2kwc s TYR 106 CO 0.22 -0.85 -0.17 0.54 -2.51 0.00 0.00 175.55 172.79 2kwc s VAL 107 N 1.55 1.73 -0.14 -3.49 0.11 -1.15 -4.33 120.40 114.68 2kwc s VAL 107 Ca 0.08 -1.95 -0.10 0.00 -2.93 0.00 0.00 61.98 57.08 2kwc s VAL 107 Cb -0.18 -1.84 0.05 0.00 -1.53 0.00 0.00 36.38 32.88 2kwc s VAL 107 CO -0.20 -0.39 0.36 -0.89 -3.33 0.00 0.00 175.10 170.64 2kwc s THR 108 N -2.26 -0.02 0.22 5.04 2.01 -0.28 -1.14 115.64 119.22 2kwc s THR 108 Ca 0.16 0.06 0.09 0.00 0.31 0.00 0.00 61.69 62.31 2kwc s THR 108 Cb -0.05 -0.52 -0.04 0.00 0.01 0.00 0.00 72.50 71.90 2kwc s THR 108 CO 0.06 0.02 -0.04 -0.72 -0.69 0.00 0.00 174.62 173.26 2kwc s TYR 109 N 0.80 2.69 -0.07 4.92 -0.85 -1.18 0.27 117.35 123.92 2kwc s TYR 109 Ca -0.05 -0.21 -0.03 0.00 -0.52 0.00 0.00 57.07 56.26 2kwc s TYR 109 Cb -0.06 -1.25 0.04 0.00 0.38 0.00 0.00 41.96 41.08 2kwc s TYR 109 CO -0.06 0.57 0.15 -1.54 -1.52 0.00 0.00 175.55 173.15 2kwc s SER 110 N -3.28 0.08 0.59 -0.18 1.04 -0.61 -2.11 113.70 109.22 2kwc s SER 110 Ca 0.29 0.30 0.35 0.00 0.48 0.00 0.00 55.95 57.36 2kwc s SER 110 Cb -0.08 0.20 1.30 0.00 0.10 0.00 0.00 66.02 67.54 2kwc s SER 110 CO 0.18 -0.17 1.51 1.23 0.98 0.00 0.00 173.24 176.97 2kwc h GLY 111 N 7.48 0.00 -2.71 7.32 0.00 -1.86 -1.80 103.07 111.50 2kwc h GLY 111 Ca -0.37 0.00 -0.50 0.00 0.00 0.00 0.00 47.33 46.46 2kwc h GLY 111 CO 0.37 0.00 -0.49 1.85 0.00 0.00 0.00 176.54 178.26 2kwc s GLU 112 N -4.64 2.80 -1.31 4.80 2.56 -1.26 -4.14 118.70 117.51 2kwc s GLU 112 Ca -0.04 -1.19 -0.06 0.00 0.00 0.00 0.00 54.97 53.68 2kwc s GLU 112 Cb 0.19 -2.50 0.13 0.00 2.00 0.00 0.00 34.13 33.95 2kwc s GLU 112 CO 0.64 0.25 2.27 -1.71 -0.56 0.00 0.00 175.26 176.15 2kwc n ASN 113 N -1.26 7.40 -4.54 -1.70 4.05 -1.26 -4.44 115.26 113.51 2kwc n ASN 113 Ca -0.05 -3.13 -0.27 0.00 0.45 0.00 0.00 54.58 51.58 2kwc n ASN 113 Cb 0.59 -1.39 -0.10 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 -0.81 3.02 -2.83 -0.44 -4.23 -1.26 -5.02 115.64 104.06 2kwc s THR 114 Ca 0.51 -1.76 0.24 0.00 -1.18 0.00 0.00 61.69 59.50 2kwc s THR 114 Cb 0.16 -2.49 0.28 0.00 1.34 0.00 0.00 72.50 71.79 2kwc s THR 114 CO -0.07 -0.13 1.35 0.49 -0.54 0.00 0.00 174.62 175.73 2kwc n PHE 115 N 0.03 0.09 0.00 3.99 3.72 -1.26 -4.92 117.46 119.12 2kwc n PHE 115 Ca -0.11 -0.04 0.00 0.00 -0.05 0.00 0.00 57.45 57.25 2kwc n PHE 115 Cb 0.56 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.10 2kwc n PHE 115 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12