#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 -1.69 2.12 4.76 -1.26 -4.74 118.16 117.35 2kwc n LYS 2 Ca 0.00 0.40 -0.43 0.00 -2.87 0.00 0.00 58.31 55.41 2kwc n LYS 2 Cb 0.00 -0.92 -0.03 0.00 -1.84 0.00 0.00 35.03 32.24 2kwc n LYS 2 CO 0.00 0.00 0.00 0.45 -1.37 0.00 0.00 177.40 176.48 2kwc s SER 3 N -2.57 5.92 0.00 4.39 0.15 -1.26 -4.81 113.70 115.52 2kwc s SER 3 Ca 0.00 2.15 0.26 0.00 0.70 0.00 0.00 55.95 59.06 2kwc s SER 3 Cb 0.00 -2.52 0.59 0.00 -1.71 0.00 0.00 66.02 62.38 2kwc s SER 3 CO 0.00 -1.55 1.48 0.35 1.20 0.00 0.00 173.24 174.72 2kwc n THR 4 N 6.79 0.00 -0.55 6.45 -2.24 -1.26 -4.39 114.28 119.08 2kwc n THR 4 Ca 0.25 -0.35 0.43 0.00 -2.27 0.00 0.00 64.05 62.11 2kwc n THR 4 Cb 0.44 0.97 0.68 0.00 -2.10 0.00 0.00 70.33 70.32 2kwc n THR 4 CO 0.00 0.00 0.00 2.22 -0.57 0.00 0.00 175.07 176.72 2kwc n PHE 5 N 0.60 0.26 0.12 4.78 -1.74 -1.26 0.18 117.46 120.40 2kwc n PHE 5 Ca 0.16 0.27 -0.13 0.00 -0.56 0.00 0.00 57.45 57.19 2kwc n PHE 5 Cb 0.47 -0.70 -0.08 0.00 1.52 0.00 0.00 39.48 40.69 2kwc n PHE 5 CO 0.00 0.00 0.00 -0.22 -0.56 0.00 0.00 176.76 175.98 2kwc h LYS 6 N 0.00 -0.32 0.00 3.97 3.64 -1.77 -2.52 116.57 119.57 2kwc h LYS 6 Ca 0.82 0.02 0.00 0.00 -1.27 0.00 0.00 60.65 60.22 2kwc h LYS 6 Cb 3.04 0.07 0.00 0.00 -0.41 0.00 0.00 32.23 34.93 2kwc h LYS 6 CO -0.18 0.03 -0.06 0.77 -2.27 0.00 0.00 179.45 177.74 2kwc h SER 7 N -0.74 0.00 -0.95 4.20 0.02 0.17 -3.39 113.55 112.86 2kwc h SER 7 Ca -0.03 0.00 0.15 0.00 -0.84 0.00 0.00 61.79 61.07 2kwc h SER 7 Cb 0.50 0.00 -0.16 0.00 0.14 0.00 0.00 62.40 62.88 2kwc h SER 7 CO 0.06 0.16 -0.35 1.21 -1.14 0.00 0.00 176.83 176.77 2kwc n GLU 8 N -2.80 -0.20 -4.13 3.45 0.00 0.45 -4.42 120.64 112.99 2kwc n GLU 8 Ca -0.01 1.47 -0.26 0.00 0.00 0.00 0.00 57.16 58.36 2kwc n GLU 8 Cb 0.03 -2.18 -0.06 0.00 0.00 0.00 0.00 31.44 29.23 2kwc n GLU 8 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.13 177.84 2kwc s TYR 9 N -5.95 3.03 0.94 4.31 2.02 -0.95 -4.99 117.35 115.76 2kwc s TYR 9 Ca -0.13 -0.08 -0.13 0.00 -0.37 0.00 0.00 57.07 56.36 2kwc s TYR 9 Cb 0.21 -1.44 0.15 0.00 -0.40 0.00 0.00 41.96 40.48 2kwc s TYR 9 CO 0.69 0.52 1.15 -1.25 -1.57 0.00 0.00 175.55 175.10 2kwc s PRO 10 N -3.19 0.91 -0.07 -1.71 0.04 -1.26 -3.99 135.00 125.75 2kwc s PRO 10 Ca 0.30 0.20 -0.03 0.00 0.04 0.00 0.00 61.00 61.52 2kwc s PRO 10 Cb -0.09 -1.82 -0.27 0.00 0.04 0.00 0.00 34.50 32.36 2kwc s PRO 10 CO 0.22 -2.33 0.58 0.27 0.04 0.00 0.00 177.00 175.78 2kwc h PHE 11 N -1.59 0.42 -0.37 0.56 -5.15 -1.85 -3.33 116.94 105.62 2kwc h PHE 11 Ca -0.50 -0.30 0.11 0.00 -0.20 0.00 0.00 57.97 57.08 2kwc h PHE 11 Cb 1.32 -0.02 -0.01 0.00 0.22 0.00 0.00 35.95 37.46 2kwc h PHE 11 CO -0.03 1.52 0.38 0.93 -2.00 0.00 0.00 178.31 179.12 2kwc h GLU 12 N 0.06 0.00 0.14 6.09 5.08 -1.95 -1.51 114.58 122.49 2kwc h GLU 12 Ca -0.34 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.01 2kwc h GLU 12 Cb 2.04 0.00 0.00 0.00 0.50 0.00 0.00 28.75 31.29 2kwc h GLU 12 CO 0.12 0.00 -0.07 0.87 -1.00 0.00 0.00 179.01 178.93 2kwc h LYS 13 N 0.00 -0.18 0.00 2.33 1.79 -1.97 -1.71 116.57 116.83 2kwc h LYS 13 Ca 0.18 0.01 0.00 0.00 -2.18 0.00 0.00 60.65 58.66 2kwc h LYS 13 Cb 0.94 0.04 0.00 0.00 -1.58 0.00 0.00 32.23 31.63 2kwc h LYS 13 CO -0.00 -0.12 0.21 0.00 -1.08 0.00 0.00 179.45 178.46 2kwc h ARG 14 N -0.19 0.00 -0.04 3.15 2.47 -1.62 0.06 114.38 118.21 2kwc h ARG 14 Ca -0.02 0.00 -0.01 0.00 -1.26 0.00 0.00 59.98 58.69 2kwc h ARG 14 Cb 0.14 0.00 -0.00 0.00 -1.65 0.00 0.00 29.97 28.46 2kwc h ARG 14 CO 0.03 0.00 -0.00 -0.22 0.56 0.00 0.00 179.97 180.34 2kwc h LYS 15 N 0.00 0.08 -0.85 0.04 3.64 -0.76 -1.43 116.57 117.29 2kwc h LYS 15 Ca 0.00 -0.02 0.10 0.00 -1.27 0.00 0.00 60.65 59.46 2kwc h LYS 15 Cb 0.42 -0.01 -0.08 0.00 -0.41 0.00 0.00 32.23 32.16 2kwc h LYS 15 CO 0.00 0.36 0.49 0.00 -2.27 0.00 0.00 179.45 178.03 2kwc h ALA 16 N 0.71 1.22 0.00 5.00 0.00 -0.09 0.66 119.26 126.76 2kwc h ALA 16 Ca 0.01 0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.96 2kwc h ALA 16 Cb 0.33 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 17.98 2kwc h ALA 16 CO 0.00 0.11 0.00 1.49 0.00 0.00 0.00 179.25 180.85 2kwc h GLU 17 N 0.81 0.00 0.10 0.00 4.81 -1.39 -2.49 114.58 116.42 2kwc h GLU 17 Ca 0.41 0.00 -0.33 0.00 -0.13 0.00 0.00 59.36 59.32 2kwc h GLU 17 Cb 0.39 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 29.75 2kwc h GLU 17 CO -0.25 0.00 -1.73 0.66 -0.73 0.00 0.00 179.01 176.95 2kwc h SER 18 N 0.00 0.34 0.10 1.04 4.64 0.12 -3.04 113.55 116.75 2kwc h SER 18 Ca 0.00 -0.60 -0.01 0.00 -0.47 0.00 0.00 61.79 60.71 2kwc h SER 18 Cb 0.39 -0.11 -0.00 0.00 -0.31 0.00 0.00 62.40 62.37 2kwc h SER 18 CO 0.00 1.52 -0.06 -0.33 -0.87 0.00 0.00 176.83 177.09 2kwc h GLU 19 N 0.06 0.00 0.14 4.77 4.39 0.31 0.41 114.58 124.65 2kwc h GLU 19 Ca -0.32 0.00 -0.23 0.00 0.34 0.00 0.00 59.36 59.15 2kwc h GLU 19 Cb 2.03 0.00 0.01 0.00 -0.10 0.00 0.00 28.75 30.69 2kwc h GLU 19 CO 0.12 0.06 -1.09 0.00 -1.16 0.00 0.00 179.01 176.94 2kwc h ARG 20 N 0.00 0.29 -0.10 2.33 3.08 -1.59 0.12 114.38 118.51 2kwc h ARG 20 Ca -0.00 -0.50 -0.07 0.00 0.07 0.00 0.00 59.98 59.49 2kwc h ARG 20 Cb 0.13 0.18 -0.01 0.00 0.08 0.00 0.00 29.97 30.35 2kwc h ARG 20 CO 0.01 1.24 -0.25 0.82 -1.07 0.00 0.00 179.97 180.72 2kwc h ILE 21 N -0.32 1.22 0.15 2.04 2.04 -1.31 0.87 117.51 122.20 2kwc h ILE 21 Ca -0.21 -1.03 -0.26 0.00 1.00 0.00 0.00 64.86 64.35 2kwc h ILE 21 Cb 1.72 1.43 0.01 0.00 -0.74 0.00 0.00 36.82 39.24 2kwc h ILE 21 CO 0.12 0.31 -1.24 0.00 0.00 0.00 0.00 178.15 177.34 2kwc h ALA 22 N 1.60 0.02 -0.36 1.87 0.00 -0.28 0.39 119.26 122.50 2kwc h ALA 22 Ca 0.03 -0.92 0.04 0.00 0.00 0.00 0.00 54.91 54.06 2kwc h ALA 22 Cb 0.53 0.29 -0.04 0.00 0.00 0.00 0.00 17.79 18.57 2kwc h ALA 22 CO 0.04 0.66 0.13 0.22 0.00 0.00 0.00 179.25 180.29 2kwc h ASP 23 N -0.23 0.14 0.07 0.00 3.58 -0.53 1.13 116.42 120.59 2kwc h ASP 23 Ca -0.24 0.04 -0.10 0.00 0.42 0.00 0.00 57.03 57.14 2kwc h ASP 23 Cb 1.81 0.02 0.01 0.00 1.72 0.00 0.00 39.33 42.89 2kwc h ASP 23 CO 0.14 0.12 -0.45 -0.09 -2.88 0.00 0.00 179.24 176.08 2kwc h ARG 24 N 0.28 0.17 -2.53 0.28 1.12 -0.95 -3.41 114.38 109.35 2kwc h ARG 24 Ca 0.16 -0.28 -0.60 0.00 -1.11 0.00 0.00 59.98 58.15 2kwc h ARG 24 Cb 0.14 0.10 -0.40 0.00 -0.01 0.00 0.00 29.97 29.80 2kwc h ARG 24 CO -0.17 1.13 -0.81 1.19 -3.11 0.00 0.00 179.97 178.20 2kwc n PHE 25 N -4.34 1.21 1.43 2.20 3.72 0.14 -4.90 117.46 116.90 2kwc n PHE 25 Ca -0.12 -3.80 0.12 0.00 -0.05 0.00 0.00 57.45 53.59 2kwc n PHE 25 Cb 0.66 -0.24 0.69 0.00 -0.94 0.00 0.00 39.48 39.65 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 2.04 0.68 -0.77 -1.08 -0.04 0.39 -2.29 135.00 133.93 2kwc n PRO 26 Ca 0.25 0.01 0.03 0.00 -0.04 0.00 0.00 63.50 63.75 2kwc n PRO 26 Cb 0.43 -1.50 0.31 0.00 -0.04 0.00 0.00 33.50 32.70 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 -1.04 4.54 -4.23 3.54 5.03 -1.26 -4.96 115.26 116.88 2kwc n ASN 27 Ca 0.17 -3.13 -0.26 0.00 0.87 0.00 0.00 54.58 52.23 2kwc n ASN 27 Cb 0.10 -0.65 -0.04 0.00 -1.02 0.00 0.00 39.78 38.16 2kwc n ASN 27 CO 0.00 0.00 0.00 0.54 -1.83 0.00 0.00 177.26 175.97 2kwc n ARG 28 N -0.17 0.96 -3.45 3.52 5.12 -0.97 -3.25 116.66 118.41 2kwc n ARG 28 Ca 0.30 -3.00 -0.26 0.00 -1.93 0.00 0.00 57.85 52.96 2kwc n ARG 28 Cb 1.14 0.71 -0.12 0.00 -1.16 0.00 0.00 32.46 33.04 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 -2.45 -0.03 -0.58 0.55 1.01 0.48 -4.77 121.20 115.40 2kwc s ILE 29 Ca 0.05 -1.29 -0.27 0.00 0.00 0.00 0.00 60.65 59.14 2kwc s ILE 29 Cb -0.00 -1.00 0.01 0.00 0.01 0.00 0.00 42.46 41.48 2kwc s ILE 29 CO 0.03 -0.83 1.51 -2.16 0.00 0.00 0.00 174.94 173.50 2kwc s PRO 30 N 1.45 3.15 0.12 2.79 0.04 -1.26 -2.02 135.00 139.26 2kwc s PRO 30 Ca 0.15 0.45 0.02 0.00 0.04 0.00 0.00 61.00 61.66 2kwc s PRO 30 Cb -0.19 -4.19 -0.04 0.00 0.04 0.00 0.00 34.50 30.12 2kwc s PRO 30 CO -0.10 -2.13 0.22 0.08 0.04 0.00 0.00 177.00 175.11 2kwc s VAL 31 N 6.70 5.17 -0.46 -0.36 1.01 0.28 -2.58 120.40 130.16 2kwc s VAL 31 Ca 0.55 -0.65 0.03 0.00 0.00 0.00 0.00 61.98 61.92 2kwc s VAL 31 Cb -0.11 -3.60 0.12 0.00 0.00 0.00 0.00 36.38 32.79 2kwc s VAL 31 CO 0.23 0.00 0.21 -0.63 0.00 0.00 0.00 175.10 174.91 2kwc s ILE 32 N -1.63 2.21 -0.11 2.22 -1.09 -0.56 -0.76 121.20 121.48 2kwc s ILE 32 Ca 0.34 -2.90 -0.25 0.00 -2.23 0.00 0.00 60.65 55.61 2kwc s ILE 32 Cb -0.12 -2.56 -0.03 0.00 -1.58 0.00 0.00 42.46 38.18 2kwc s ILE 32 CO 0.27 -0.78 0.77 0.00 -1.23 0.00 0.00 174.94 173.98 2kwc s GLU 34 N 1.39 2.21 0.39 0.00 -1.05 0.10 -4.40 118.70 117.34 2kwc s GLU 34 Ca 0.39 -0.95 -0.26 0.00 -0.15 0.00 0.00 54.97 53.99 2kwc s GLU 34 Cb -0.18 -2.33 -0.09 0.00 -0.44 0.00 0.00 34.13 31.09 2kwc s GLU 34 CO 0.17 0.53 1.22 0.21 0.95 0.00 0.00 175.26 178.34 2kwc s LYS 35 N -1.95 4.07 -0.36 -4.83 2.47 -1.26 -2.94 119.74 114.94 2kwc s LYS 35 Ca 0.20 1.97 -0.07 0.00 -1.56 0.00 0.00 55.97 56.50 2kwc s LYS 35 Cb -0.11 -2.75 0.05 0.00 -1.46 0.00 0.00 37.83 33.55 2kwc s LYS 35 CO 0.11 -0.34 0.14 0.00 0.16 0.00 0.00 175.35 175.42 2kwc s ALA 36 N -1.33 3.11 0.29 3.13 0.00 -1.15 -4.76 121.76 121.05 2kwc s ALA 36 Ca 0.56 -1.82 0.03 0.00 0.00 0.00 0.00 51.96 50.73 2kwc s ALA 36 Cb -0.34 -2.36 0.69 0.00 0.00 0.00 0.00 23.12 21.12 2kwc s ALA 36 CO 0.43 -1.40 1.74 1.05 0.00 0.00 0.00 175.76 177.58 2kwc h GLU 37 N 8.26 0.55 -1.18 0.00 4.11 -1.94 0.39 114.58 124.77 2kwc h GLU 37 Ca -0.23 -0.03 0.37 0.00 0.07 0.00 0.00 59.36 59.53 2kwc h GLU 37 Cb 1.08 -0.12 -0.12 0.00 0.50 0.00 0.00 28.75 30.09 2kwc h GLU 37 CO 0.63 0.36 0.75 0.87 0.07 0.00 0.00 179.01 181.69 2kwc h LYS 38 N 0.56 0.20 -7.32 1.06 1.57 -1.96 -3.40 116.57 107.29 2kwc h LYS 38 Ca 0.55 -0.01 -0.43 0.00 -1.87 0.00 0.00 60.65 58.89 2kwc h LYS 38 Cb 0.93 -0.05 0.18 0.00 0.08 0.00 0.00 32.23 33.38 2kwc h LYS 38 CO -0.44 0.13 0.12 -1.54 -0.57 0.00 0.00 179.45 177.15 2kwc s SER 39 N -4.79 1.39 0.00 0.86 1.04 0.14 -4.97 113.70 107.37 2kwc s SER 39 Ca -0.08 0.95 0.00 0.00 0.48 0.00 0.00 55.95 57.30 2kwc s SER 39 Cb 0.29 -1.43 0.00 0.00 0.10 0.00 0.00 66.02 64.97 2kwc s SER 39 CO 0.81 -3.87 0.55 -0.67 0.98 0.00 0.00 173.24 171.04 2kwc n ASP 40 N -4.64 1.10 -4.80 7.02 4.64 -1.26 -5.00 116.55 113.61 2kwc n ASP 40 Ca 0.09 -1.10 -0.30 0.00 -1.38 0.00 0.00 54.79 52.09 2kwc n ASP 40 Cb 0.58 -0.00 0.08 0.00 -1.04 0.00 0.00 41.12 40.75 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 -0.10 3.31 0.47 5.18 -4.36 -1.26 -5.02 121.20 119.42 2kwc s ILE 41 Ca 0.00 0.43 -0.21 0.00 -0.26 0.00 0.00 60.65 60.61 2kwc s ILE 41 Cb 0.00 -3.13 -0.09 0.00 1.25 0.00 0.00 42.46 40.50 2kwc s ILE 41 CO 0.00 -0.56 1.04 -2.16 0.24 0.00 0.00 174.94 173.50 2kwc s PRO 42 N -5.08 3.87 1.01 0.37 0.04 -1.26 -5.04 135.00 128.91 2kwc s PRO 42 Ca 0.60 1.39 -0.13 0.00 0.04 0.00 0.00 61.00 62.90 2kwc s PRO 42 Cb -0.15 -2.18 0.19 0.00 0.04 0.00 0.00 34.50 32.40 2kwc s PRO 42 CO 0.55 -0.37 1.11 -2.00 0.04 0.00 0.00 177.00 176.32 2kwc s GLU 43 N -3.09 0.33 0.14 4.56 2.12 -1.26 -4.95 118.70 116.56 2kwc s GLU 43 Ca 0.65 0.37 0.01 0.00 0.36 0.00 0.00 54.97 56.36 2kwc s GLU 43 Cb -0.17 -1.74 0.01 0.00 0.26 0.00 0.00 34.13 32.49 2kwc s GLU 43 CO 0.21 -2.76 0.07 0.44 -0.54 0.00 0.00 175.26 172.69 2kwc n ILE 44 N -4.17 0.00 0.03 -3.70 -5.35 -1.26 -4.94 119.36 99.97 2kwc n ILE 44 Ca 0.06 -0.60 -0.06 0.00 -0.27 0.00 0.00 62.75 61.88 2kwc n ILE 44 Cb 0.58 -0.22 -0.04 0.00 -1.74 0.00 0.00 39.64 38.22 2kwc n ILE 44 CO 0.00 0.00 0.00 -0.78 -1.76 0.00 0.00 176.55 174.01 2kwc h ASP 45 N 0.22 -0.15 -1.82 7.28 3.58 -1.98 -3.50 116.42 120.05 2kwc h ASP 45 Ca -0.10 -0.20 -0.03 0.00 0.42 0.00 0.00 57.03 57.12 2kwc h ASP 45 Cb 0.34 0.04 -0.00 0.00 1.72 0.00 0.00 39.33 41.42 2kwc h ASP 45 CO 0.16 0.40 0.04 2.29 -2.88 0.00 0.00 179.24 179.25 2kwc n LYS 46 N -4.88 0.30 -3.93 0.28 0.00 -1.26 -5.13 118.16 103.54 2kwc n LYS 46 Ca -0.05 -0.73 -0.34 0.00 -0.00 0.00 0.00 58.31 57.19 2kwc n LYS 46 Cb 0.17 0.83 -0.14 0.00 -0.00 0.00 0.00 35.03 35.90 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 -2.10 2.15 -0.29 -1.58 3.03 -1.26 -4.99 118.95 113.91 2kwc s ARG 47 Ca 0.06 -1.50 0.03 0.00 2.03 0.00 0.00 55.73 56.35 2kwc s ARG 47 Cb -0.01 -3.22 0.19 0.00 -1.03 0.00 0.00 34.95 30.88 2kwc s ARG 47 CO 0.04 -0.76 0.56 0.21 -1.13 0.00 0.00 175.30 174.22 2kwc s LYS 48 N 1.14 0.53 -0.05 3.89 2.20 -1.26 -4.77 119.74 121.43 2kwc s LYS 48 Ca -0.00 0.62 0.04 0.00 -0.36 0.00 0.00 55.97 56.27 2kwc s LYS 48 Cb -0.20 0.23 0.00 0.00 -1.51 0.00 0.00 37.83 36.35 2kwc s LYS 48 CO -0.04 -0.91 -0.16 0.71 -0.36 0.00 0.00 175.35 174.60 2kwc s TYR 49 N 2.79 1.65 -0.30 4.03 1.51 0.07 -5.01 117.35 122.09 2kwc s TYR 49 Ca 0.13 -0.52 -0.01 0.00 -1.01 0.00 0.00 57.07 55.66 2kwc s TYR 49 Cb -0.12 -1.14 0.10 0.00 -0.11 0.00 0.00 41.96 40.69 2kwc s TYR 49 CO -0.25 -0.20 0.09 -1.17 -1.11 0.00 0.00 175.55 172.91 2kwc s LEU 50 N 0.22 2.31 0.18 -1.29 2.96 -1.26 0.10 118.68 121.89 2kwc s LEU 50 Ca -0.07 -1.60 0.08 0.00 -0.22 0.00 0.00 54.13 52.32 2kwc s LEU 50 Cb -0.13 -0.90 -0.04 0.00 0.50 0.00 0.00 46.19 45.63 2kwc s LEU 50 CO 0.03 -0.40 -0.04 0.68 -1.32 0.00 0.00 176.35 175.29 2kwc s VAL 51 N 1.59 3.47 0.98 1.68 -7.23 -0.86 -4.88 120.40 115.15 2kwc s VAL 51 Ca 0.09 -1.54 -0.14 0.00 -1.81 0.00 0.00 61.98 58.57 2kwc s VAL 51 Cb -0.17 -2.73 0.18 0.00 0.56 0.00 0.00 36.38 34.21 2kwc s VAL 51 CO -0.23 -0.12 1.17 -2.16 -0.31 0.00 0.00 175.10 173.45 2kwc s PRO 52 N -2.91 0.58 -0.10 4.82 0.04 -1.26 0.18 135.00 136.36 2kwc s PRO 52 Ca 0.26 0.08 0.08 0.00 0.04 0.00 0.00 61.00 61.46 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 -2.54 1.14 0.00 0.04 0.00 0.00 177.00 175.81 2kwc n ALA 53 N -3.96 3.06 -0.23 8.56 0.00 -1.20 -3.18 120.51 123.56 2kwc n ALA 53 Ca 0.10 -0.89 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 19.00 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 0.35 0.98 -4.92 0.00 8.00 -1.26 -4.57 116.55 115.13 2kwc n ASP 54 Ca 0.13 -1.21 -0.27 0.00 0.71 0.00 0.00 54.79 54.15 2kwc n ASP 54 Cb 0.65 0.00 -0.03 0.00 -0.02 0.00 0.00 41.12 41.72 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 -0.21 4.10 0.33 0.64 0.20 -1.19 -5.02 118.68 117.53 2kwc s LEU 55 Ca 0.00 0.55 0.08 0.00 0.69 0.00 0.00 54.13 55.45 2kwc s LEU 55 Cb 0.00 -3.36 -0.04 0.00 -0.43 0.00 0.00 46.19 42.36 2kwc s LEU 55 CO 0.00 -0.17 0.20 0.42 -0.29 0.00 0.00 176.35 176.51 2kwc s THR 56 N -2.07 3.38 0.17 3.68 -4.23 -1.26 -2.33 115.64 112.98 2kwc s THR 56 Ca 0.41 -1.54 -0.17 0.00 -1.18 0.00 0.00 61.69 59.21 2kwc s THR 56 Cb -0.11 -3.09 0.09 0.00 1.34 0.00 0.00 72.50 70.73 2kwc s THR 56 CO 0.31 -0.20 1.67 0.58 -0.54 0.00 0.00 174.62 176.43 2kwc h VAL 57 N 1.43 0.60 -0.96 2.29 2.07 -1.47 -2.05 116.25 118.16 2kwc h VAL 57 Ca -0.45 0.00 0.11 0.00 0.82 0.00 0.00 66.70 67.19 2kwc h VAL 57 Cb 1.25 0.60 -0.13 0.00 -1.52 0.00 0.00 31.29 31.49 2kwc h VAL 57 CO 0.61 0.00 -0.49 0.61 0.02 0.00 0.00 177.57 178.32 2kwc n GLY 58 N -1.31 -2.29 0.30 2.17 0.00 -1.12 0.94 105.19 103.88 2kwc n GLY 58 Ca 0.02 1.12 0.09 0.00 0.00 0.00 0.00 46.02 47.24 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 0.12 -0.36 1.61 1.08 -1.66 0.21 115.11 116.11 2kwc h GLN 59 Ca 0.23 -0.01 0.07 0.00 -1.45 0.00 0.00 58.65 57.49 2kwc h GLN 59 Cb 0.47 -0.03 -0.07 0.00 -0.05 0.00 0.00 27.48 27.80 2kwc h GLN 59 CO -0.92 0.08 -0.09 0.35 -0.95 0.00 0.00 178.83 177.30 2kwc h PHE 60 N 0.13 -0.19 -1.11 2.96 3.57 0.63 0.28 116.94 123.21 2kwc h PHE 60 Ca 0.48 0.03 0.32 0.00 3.53 0.00 0.00 57.97 62.33 2kwc h PHE 60 Cb 0.90 0.14 -0.05 0.00 2.79 0.00 0.00 35.95 39.73 2kwc h PHE 60 CO -0.39 -0.16 0.79 0.28 -2.23 0.00 0.00 178.31 176.61 2kwc h VAL 61 N -0.00 0.45 0.04 1.41 2.07 -0.00 1.03 116.25 121.24 2kwc h VAL 61 Ca 0.17 -0.02 -0.25 0.00 0.82 0.00 0.00 66.70 67.42 2kwc h VAL 61 Cb 0.26 0.39 -0.03 0.00 -1.52 0.00 0.00 31.29 30.40 2kwc h VAL 61 CO -0.37 0.01 -1.27 0.22 0.02 0.00 0.00 177.57 176.18 2kwc h TYR 62 N 0.05 0.14 0.00 1.57 3.20 -0.26 -3.09 116.97 118.58 2kwc h TYR 62 Ca 0.54 -0.10 0.01 0.00 3.14 0.00 0.00 58.73 62.32 2kwc h TYR 62 Cb 2.06 -0.01 -0.01 0.00 1.54 0.00 0.00 36.73 40.31 2kwc h TYR 62 CO -0.00 1.10 -0.06 0.28 -1.64 0.00 0.00 178.16 177.84 2kwc h VAL 63 N 0.02 0.83 0.10 1.81 2.07 0.29 -2.54 116.25 118.83 2kwc h VAL 63 Ca -0.12 0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.39 2kwc h VAL 63 Cb 1.89 0.83 -0.00 0.00 -1.52 0.00 0.00 31.29 32.49 2kwc h VAL 63 CO 0.13 0.00 -0.06 0.40 0.02 0.00 0.00 177.57 178.06 2kwc h ILE 64 N -0.11 0.86 -1.59 4.57 5.03 -1.42 -1.19 117.51 123.66 2kwc h ILE 64 Ca 0.03 0.00 0.46 0.00 -0.12 0.00 0.00 64.86 65.23 2kwc h ILE 64 Cb 0.15 0.86 -0.06 0.00 -3.03 0.00 0.00 36.82 34.74 2kwc h ILE 64 CO -0.07 0.00 1.23 -0.09 -0.68 0.00 0.00 178.15 178.54 2kwc h ARG 65 N -0.16 0.00 0.08 2.37 2.43 -1.39 1.57 114.38 119.27 2kwc h ARG 65 Ca -0.01 0.00 -0.13 0.00 -0.81 0.00 0.00 59.98 59.04 2kwc h ARG 65 Cb 0.14 0.00 0.01 0.00 -0.42 0.00 0.00 29.97 29.70 2kwc h ARG 65 CO 0.01 0.00 -0.54 0.87 -1.51 0.00 0.00 179.97 178.80 2kwc h LYS 66 N 0.00 0.22 -0.23 0.20 6.56 -0.83 1.53 116.57 124.02 2kwc h LYS 66 Ca 0.75 -0.35 0.04 0.00 -1.06 0.00 0.00 60.65 60.04 2kwc h LYS 66 Cb 3.20 0.13 -0.01 0.00 -0.57 0.00 0.00 32.23 34.98 2kwc h LYS 66 CO -0.01 1.14 0.16 0.00 -2.06 0.00 0.00 179.45 178.69 2kwc h ARG 67 N -0.52 0.13 -0.01 3.15 -0.00 0.25 -0.35 114.38 117.03 2kwc h ARG 67 Ca -0.09 -0.01 0.00 0.00 -0.50 0.00 0.00 59.98 59.38 2kwc h ARG 67 Cb 1.40 -0.03 0.00 0.00 0.00 0.00 0.00 29.97 31.34 2kwc h ARG 67 CO 0.10 0.09 -0.33 0.44 0.00 0.00 0.00 179.97 180.27 2kwc n ILE 68 N -4.49 0.00 -4.27 2.04 -5.35 0.58 -4.79 119.36 103.08 2kwc n ILE 68 Ca 0.02 -0.34 -0.31 0.00 -0.27 0.00 0.00 62.75 61.85 2kwc n ILE 68 Cb 0.21 1.16 -0.08 0.00 -1.74 0.00 0.00 39.64 39.19 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 -0.25 -1.41 -1.84 6.28 0.00 0.50 -4.89 117.12 115.52 2kwc n MET 69 Ca 0.06 0.16 -0.32 0.00 0.00 0.00 0.00 57.70 57.59 2kwc n MET 69 Cb 0.30 -3.88 0.03 0.00 0.00 0.00 0.00 33.22 29.66 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 -7.30 3.36 0.90 3.17 1.02 0.11 -4.99 118.68 114.95 2kwc s LEU 70 Ca 0.09 1.78 -0.12 0.00 0.02 0.00 0.00 54.13 55.89 2kwc s LEU 70 Cb -0.05 -4.52 0.13 0.00 0.02 0.00 0.00 46.19 41.77 2kwc s LEU 70 CO 0.98 -1.34 1.14 -2.16 0.02 0.00 0.00 176.35 174.99 2kwc s PRO 71 N -4.40 1.21 0.00 1.29 0.04 -1.26 -4.92 135.00 126.96 2kwc s PRO 71 Ca 0.62 0.31 0.23 0.00 0.04 0.00 0.00 61.00 62.21 2kwc s PRO 71 Cb -0.16 -1.85 1.39 0.00 0.04 0.00 0.00 34.50 33.93 2kwc s PRO 71 CO 0.43 -2.16 1.77 -0.35 0.04 0.00 0.00 177.00 176.74 2kwc n PRO 72 N -3.74 0.75 -0.06 0.56 -0.04 -1.26 -2.66 135.00 128.54 2kwc n PRO 72 Ca 0.07 0.00 -0.15 0.00 -0.04 0.00 0.00 63.50 63.37 2kwc n PRO 72 Cb 0.59 -1.49 -0.14 0.00 -0.04 0.00 0.00 33.50 32.43 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 -0.99 0.69 -0.30 0.54 1.02 -1.26 -4.96 120.64 115.39 2kwc n GLU 73 Ca 0.18 0.18 -0.29 0.00 -0.02 0.00 0.00 57.16 57.20 2kwc n GLU 73 Cb 0.08 -1.63 0.28 0.00 -0.02 0.00 0.00 31.44 30.15 2kwc n GLU 73 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 2kwc n LYS 74 N -3.18 -4.28 -3.25 3.49 4.76 -1.09 -5.05 118.16 109.56 2kwc n LYS 74 Ca -0.33 -1.26 -0.03 0.00 -2.87 0.00 0.00 58.31 53.82 2kwc n LYS 74 Cb 1.05 -1.93 -0.05 0.00 -1.84 0.00 0.00 35.03 32.27 2kwc n LYS 74 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 2kwc s ALA 75 N -2.16 -1.65 -0.04 7.82 0.00 -1.26 -4.98 121.76 119.50 2kwc s ALA 75 Ca 0.65 1.28 0.00 0.00 0.00 0.00 0.00 51.96 53.90 2kwc s ALA 75 Cb -0.14 -1.94 -0.03 0.00 0.00 0.00 0.00 23.12 21.00 2kwc s ALA 75 CO 0.57 -1.34 -0.01 -1.50 0.00 0.00 0.00 175.76 173.47 2kwc s ILE 76 N 2.69 4.11 -0.02 0.00 2.07 -1.26 -4.19 121.20 124.61 2kwc s ILE 76 Ca 0.16 -0.49 0.07 0.00 -1.41 0.00 0.00 60.65 58.98 2kwc s ILE 76 Cb -0.15 -2.78 -0.02 0.00 0.13 0.00 0.00 42.46 39.64 2kwc s ILE 76 CO -0.19 0.48 -0.22 -0.36 -1.91 0.00 0.00 174.94 172.73 2kwc s PHE 77 N -0.98 1.98 -0.15 3.50 0.08 -1.00 -4.96 117.98 116.46 2kwc s PHE 77 Ca 0.17 -0.38 -0.14 0.00 0.12 0.00 0.00 56.93 56.70 2kwc s PHE 77 Cb -0.11 -1.28 -0.05 0.00 -0.57 0.00 0.00 43.02 41.01 2kwc s PHE 77 CO 0.06 -0.04 0.30 0.42 -0.10 0.00 0.00 175.22 175.86 2kwc s ILE 78 N -0.51 5.30 -0.16 0.64 -1.09 -1.26 -2.27 121.20 121.84 2kwc s ILE 78 Ca 0.08 0.56 0.00 0.00 -2.23 0.00 0.00 60.65 59.06 2kwc s ILE 78 Cb -0.09 -3.63 0.03 0.00 -1.58 0.00 0.00 42.46 37.20 2kwc s ILE 78 CO -0.01 0.41 -0.10 -0.36 -1.23 0.00 0.00 174.94 173.65 2kwc s PHE 79 N 0.29 2.02 -0.13 3.97 0.08 -0.90 -4.48 117.98 118.84 2kwc s PHE 79 Ca 0.17 -1.20 -0.02 0.00 0.12 0.00 0.00 56.93 56.00 2kwc s PHE 79 Cb -0.13 -1.49 -0.02 0.00 -0.57 0.00 0.00 43.02 40.81 2kwc s PHE 79 CO 0.05 -0.65 -0.07 0.54 -0.10 0.00 0.00 175.22 174.98 2kwc s VAL 80 N 1.53 3.62 -1.00 -0.44 0.11 0.32 -2.64 120.40 121.89 2kwc s VAL 80 Ca 0.03 -0.47 -0.15 0.00 -2.93 0.00 0.00 61.98 58.46 2kwc s VAL 80 Cb -0.14 -2.55 0.01 0.00 -1.53 0.00 0.00 36.38 32.17 2kwc s VAL 80 CO -0.09 0.52 0.69 0.59 -3.33 0.00 0.00 175.10 173.48 2kwc n ASN 81 N 3.31 -5.16 -3.77 3.54 3.02 -1.26 0.80 115.26 115.74 2kwc n ASN 81 Ca -0.18 -0.96 -0.27 0.00 -0.03 0.00 0.00 54.58 53.14 2kwc n ASN 81 Cb 0.53 -2.59 -0.05 0.00 -0.61 0.00 0.00 39.78 37.06 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 -2.42 -1.64 -3.63 6.41 9.92 -1.26 -4.85 116.55 119.08 2kwc n ASP 82 Ca -0.16 -0.59 -0.22 0.00 -0.53 0.00 0.00 54.79 53.29 2kwc n ASP 82 Cb 0.61 -1.47 -0.08 0.00 -0.64 0.00 0.00 41.12 39.54 2kwc n ASP 82 CO 0.00 0.00 0.00 0.28 0.13 0.00 0.00 177.20 177.61 2kwc s THR 83 N -2.79 0.20 -0.29 -3.53 -1.32 0.24 -4.93 115.64 103.21 2kwc s THR 83 Ca 0.52 -2.00 -0.04 0.00 -1.21 0.00 0.00 61.69 58.97 2kwc s THR 83 Cb -0.30 -2.42 0.10 0.00 -1.51 0.00 0.00 72.50 68.36 2kwc s THR 83 CO 0.64 0.00 0.13 -0.22 -2.21 0.00 0.00 174.62 172.96 2kwc s LEU 84 N -3.47 0.61 0.78 9.08 2.96 -1.26 -0.52 118.68 126.86 2kwc s LEU 84 Ca 0.34 -1.33 -0.11 0.00 -0.22 0.00 0.00 54.13 52.80 2kwc s LEU 84 Cb 0.02 -0.37 0.06 0.00 0.50 0.00 0.00 46.19 46.40 2kwc s LEU 84 CO 0.23 -0.44 1.09 -2.16 -1.32 0.00 0.00 176.35 173.75 2kwc s PRO 85 N 2.05 2.20 0.74 0.98 0.04 -1.26 -5.01 135.00 134.74 2kwc s PRO 85 Ca 0.09 0.69 -0.11 0.00 0.04 0.00 0.00 61.00 61.71 2kwc s PRO 85 Cb -0.16 -1.93 0.04 0.00 0.04 0.00 0.00 34.50 32.48 2kwc s PRO 85 CO -0.35 -1.55 1.08 -1.25 0.04 0.00 0.00 177.00 174.96 2kwc s PRO 86 N -5.14 2.56 0.00 0.56 0.04 -1.26 -4.93 135.00 126.83 2kwc s PRO 86 Ca 0.60 0.81 0.31 0.00 0.04 0.00 0.00 61.00 62.77 2kwc s PRO 86 Cb -0.14 -1.96 1.82 0.00 0.04 0.00 0.00 34.50 34.26 2kwc s PRO 86 CO 0.54 -1.33 2.17 -2.37 0.04 0.00 0.00 177.00 176.06 2kwc n THR 87 N -3.26 0.00 -0.10 1.26 5.66 -1.26 -2.89 114.28 113.69 2kwc n THR 87 Ca 0.07 0.00 -0.10 0.00 -3.05 0.00 0.00 64.05 60.97 2kwc n THR 87 Cb 0.55 -0.51 -0.15 0.00 -1.55 0.00 0.00 70.33 68.66 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 -1.04 1.51 -1.41 1.79 0.00 -1.26 -2.79 120.51 117.31 2kwc n ALA 88 Ca 0.22 -1.29 -0.45 0.00 0.00 0.00 0.00 53.44 51.91 2kwc n ALA 88 Cb 0.13 -0.16 -0.02 0.00 0.00 0.00 0.00 19.45 19.40 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 -2.76 -2.38 -2.62 0.00 0.00 -1.14 -4.65 120.51 106.95 2kwc n ALA 89 Ca -0.33 0.33 -0.38 0.00 0.00 0.00 0.00 53.44 53.06 2kwc n ALA 89 Cb 1.13 -1.66 -0.06 0.00 0.00 0.00 0.00 19.45 18.87 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 2.80 4.39 0.17 0.00 2.96 -1.26 -1.76 118.68 125.98 2kwc s LEU 90 Ca 0.62 0.79 0.13 0.00 -0.22 0.00 0.00 54.13 55.45 2kwc s LEU 90 Cb -0.79 -2.49 0.68 0.00 0.50 0.00 0.00 46.19 44.08 2kwc s LEU 90 CO 0.58 0.24 1.41 0.23 -1.32 0.00 0.00 176.35 177.50 2kwc n MET 91 N 2.45 0.08 -0.06 1.98 2.81 -0.98 -0.72 117.12 122.69 2kwc n MET 91 Ca -0.13 0.53 -0.14 0.00 -1.81 0.00 0.00 57.70 56.15 2kwc n MET 91 Cb 0.52 -1.74 -0.13 0.00 -0.71 0.00 0.00 33.22 31.16 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 0.02 0.32 7.83 4.64 -1.82 -2.07 113.55 122.47 2kwc h SER 92 Ca 0.00 -0.94 -0.16 0.00 -0.47 0.00 0.00 61.79 60.22 2kwc h SER 92 Cb 0.06 -0.01 -0.01 0.00 -0.31 0.00 0.00 62.40 62.14 2kwc h SER 92 CO 0.00 0.95 -0.66 0.00 -0.87 0.00 0.00 176.83 176.25 2kwc h ALA 93 N 0.07 0.73 0.74 5.18 0.00 -1.76 -2.30 119.26 121.93 2kwc h ALA 93 Ca -0.01 -0.58 -0.04 0.00 0.00 0.00 0.00 54.91 54.29 2kwc h ALA 93 Cb 0.96 -0.08 0.01 0.00 0.00 0.00 0.00 17.79 18.68 2kwc h ALA 93 CO 0.01 0.75 -0.36 0.82 0.00 0.00 0.00 179.25 180.47 2kwc h ILE 94 N 0.22 0.00 -0.07 0.00 1.08 -1.03 -2.51 117.51 115.20 2kwc h ILE 94 Ca -0.02 -0.14 0.02 0.00 -0.39 0.00 0.00 64.86 64.34 2kwc h ILE 94 Cb 1.20 0.00 -0.00 0.00 -3.07 0.00 0.00 36.82 34.95 2kwc h ILE 94 CO 0.11 0.00 0.21 0.22 -0.69 0.00 0.00 178.15 178.00 2kwc h TYR 95 N -1.14 0.00 -0.49 1.37 5.03 -1.43 1.55 116.97 121.86 2kwc h TYR 95 Ca -0.10 0.00 -0.10 0.00 2.58 0.00 0.00 58.73 61.11 2kwc h TYR 95 Cb 0.77 0.00 -0.02 0.00 1.55 0.00 0.00 36.73 39.03 2kwc h TYR 95 CO 0.03 0.00 -0.09 1.96 -1.32 0.00 0.00 178.16 178.73 2kwc h GLN 96 N 0.00 0.90 -0.01 1.82 4.20 -0.98 -1.17 115.11 119.87 2kwc h GLN 96 Ca 0.03 -0.31 0.00 0.00 0.06 0.00 0.00 58.65 58.44 2kwc h GLN 96 Cb 0.45 -0.07 0.00 0.00 0.30 0.00 0.00 27.48 28.16 2kwc h GLN 96 CO -0.00 0.95 -0.03 0.39 -0.67 0.00 0.00 178.83 179.47 2kwc n GLU 97 N -4.16 0.76 -0.48 1.46 1.02 0.33 -4.41 120.64 115.17 2kwc n GLU 97 Ca 0.02 -1.07 0.06 0.00 -0.02 0.00 0.00 57.16 56.15 2kwc n GLU 97 Cb 0.37 -1.19 0.19 0.00 -0.02 0.00 0.00 31.44 30.80 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 0.48 0.09 -3.88 -0.32 8.25 0.50 -5.00 115.22 115.35 2kwc n HIS 98 Ca 0.06 -1.37 -0.35 0.00 -0.26 0.00 0.00 57.72 55.80 2kwc n HIS 98 Cb 0.26 -0.24 -0.08 0.00 1.12 0.00 0.00 29.99 31.05 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 -3.14 3.96 0.79 -0.41 2.36 -0.45 -4.39 119.74 118.46 2kwc s LYS 99 Ca 0.37 -0.26 -0.03 0.00 -2.55 0.00 0.00 55.97 53.50 2kwc s LYS 99 Cb 0.35 -3.29 0.16 0.00 -1.05 0.00 0.00 37.83 34.00 2kwc s LYS 99 CO -0.04 0.37 1.08 0.34 1.55 0.00 0.00 175.35 178.66 2kwc s ASP 100 N 0.12 3.95 0.35 1.43 3.68 -1.13 -4.86 116.67 120.21 2kwc s ASP 100 Ca 0.07 -0.41 0.25 0.00 2.13 0.00 0.00 52.55 54.59 2kwc s ASP 100 Cb -0.12 0.20 1.24 0.00 -1.45 0.00 0.00 42.92 42.79 2kwc s ASP 100 CO -0.00 -2.15 1.76 0.11 0.13 0.00 0.00 175.17 175.02 2kwc h LYS 101 N -0.80 0.00 0.00 4.34 1.57 -1.95 0.27 116.57 120.00 2kwc h LYS 101 Ca -0.36 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.42 2kwc h LYS 101 Cb 1.25 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.56 2kwc h LYS 101 CO 0.36 0.00 -0.99 -0.40 -0.57 0.00 0.00 179.45 177.85 2kwc n ASP 102 N -2.38 0.62 0.00 0.86 5.68 -1.26 -4.90 116.55 115.17 2kwc n ASP 102 Ca -0.00 -0.10 0.00 0.00 -0.50 0.00 0.00 54.79 54.18 2kwc n ASP 102 Cb 0.12 0.70 0.00 0.00 -1.14 0.00 0.00 41.12 40.79 2kwc n ASP 102 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2kwc n GLY 103 N 1.35 2.70 3.07 6.12 0.00 0.95 -3.95 105.19 115.42 2kwc n GLY 103 Ca 0.02 -0.64 -0.28 0.00 0.00 0.00 0.00 46.02 45.11 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 -1.55 -4.29 1.61 3.72 -1.26 -3.85 117.46 111.84 2kwc n PHE 104 Ca 0.00 0.35 -0.26 0.00 -0.05 0.00 0.00 57.45 57.49 2kwc n PHE 104 Cb 0.00 -1.44 -0.09 0.00 -0.94 0.00 0.00 39.48 37.01 2kwc n PHE 104 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 176.76 176.20 2kwc s LEU 105 N 3.21 3.04 -0.28 4.37 1.02 -1.07 -2.84 118.68 126.14 2kwc s LEU 105 Ca 0.39 -0.59 0.01 0.00 0.02 0.00 0.00 54.13 53.96 2kwc s LEU 105 Cb -0.01 -1.68 0.08 0.00 0.02 0.00 0.00 46.19 44.60 2kwc s LEU 105 CO 0.52 0.08 -0.00 -0.72 0.02 0.00 0.00 176.35 176.25 2kwc s TYR 106 N -1.87 2.64 0.15 0.29 1.13 -1.26 -1.49 117.35 116.93 2kwc s TYR 106 Ca 0.27 -2.09 0.04 0.00 -1.41 0.00 0.00 57.07 53.88 2kwc s TYR 106 Cb -0.08 -1.95 -0.04 0.00 -1.10 0.00 0.00 41.96 38.78 2kwc s TYR 106 CO 0.16 -0.84 -0.08 0.54 -2.51 0.00 0.00 175.55 172.83 2kwc s VAL 107 N 1.30 1.02 -0.07 -3.49 0.11 -1.06 -4.32 120.40 113.89 2kwc s VAL 107 Ca 0.01 -2.03 -0.03 0.00 -2.93 0.00 0.00 61.98 57.00 2kwc s VAL 107 Cb -0.19 -1.89 0.04 0.00 -1.53 0.00 0.00 36.38 32.81 2kwc s VAL 107 CO -0.10 -0.71 0.16 -0.89 -3.33 0.00 0.00 175.10 170.23 2kwc s THR 108 N -3.42 -0.04 0.11 5.04 2.01 -1.08 -0.72 115.64 117.53 2kwc s THR 108 Ca 0.18 0.16 0.02 0.00 0.31 0.00 0.00 61.69 62.36 2kwc s THR 108 Cb 0.04 -0.26 -0.04 0.00 0.01 0.00 0.00 72.50 72.25 2kwc s THR 108 CO 0.01 0.07 0.21 -0.72 -0.69 0.00 0.00 174.62 173.49 2kwc s TYR 109 N 1.10 3.41 -0.27 4.92 -0.85 -1.15 -2.12 117.35 122.39 2kwc s TYR 109 Ca -0.08 0.14 -0.11 0.00 -0.52 0.00 0.00 57.07 56.49 2kwc s TYR 109 Cb -0.11 -1.67 0.11 0.00 0.38 0.00 0.00 41.96 40.67 2kwc s TYR 109 CO -0.06 0.54 0.62 -1.54 -1.52 0.00 0.00 175.55 173.59 2kwc s SER 110 N -2.87 -0.95 0.61 -0.18 1.04 -0.96 -2.93 113.70 107.46 2kwc s SER 110 Ca 0.33 1.45 0.27 0.00 0.48 0.00 0.00 55.95 58.48 2kwc s SER 110 Cb -0.12 1.83 1.14 0.00 0.10 0.00 0.00 66.02 68.97 2kwc s SER 110 CO 0.27 -0.23 1.55 1.23 0.98 0.00 0.00 173.24 177.04 2kwc h GLY 111 N 7.67 0.00 -2.59 7.32 0.00 -1.87 -2.65 103.07 110.93 2kwc h GLY 111 Ca -0.22 0.00 -0.48 0.00 0.00 0.00 0.00 47.33 46.63 2kwc h GLY 111 CO 0.13 0.00 -0.14 1.85 0.00 0.00 0.00 176.54 178.38 2kwc s GLU 112 N -4.47 3.50 -1.15 4.80 2.12 -1.26 -4.38 118.70 117.86 2kwc s GLU 112 Ca -0.03 -0.23 -0.06 0.00 0.36 0.00 0.00 54.97 55.01 2kwc s GLU 112 Cb 0.14 -2.61 0.26 0.00 0.26 0.00 0.00 34.13 32.17 2kwc s GLU 112 CO 0.47 0.09 1.64 -1.71 -0.54 0.00 0.00 175.26 175.22 2kwc n ASN 113 N -1.82 6.04 -4.26 -1.70 2.85 -1.26 -4.45 115.26 110.66 2kwc n ASN 113 Ca -0.04 -3.32 -0.23 0.00 -0.11 0.00 0.00 54.58 50.88 2kwc n ASN 113 Cb 0.56 -1.34 -0.13 0.00 1.24 0.00 0.00 39.78 40.11 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 -1.77 1.61 -2.20 -0.44 -4.23 -1.26 -5.02 115.64 102.32 2kwc s THR 114 Ca 0.34 -1.45 0.26 0.00 -1.18 0.00 0.00 61.69 59.67 2kwc s THR 114 Cb 0.07 -1.46 0.32 0.00 1.34 0.00 0.00 72.50 72.77 2kwc s THR 114 CO 0.07 -0.04 1.52 0.49 -0.54 0.00 0.00 174.62 176.12 2kwc n PHE 115 N 1.25 0.00 0.00 3.99 3.01 -1.26 -4.91 117.46 119.54 2kwc n PHE 115 Ca -0.19 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.27 2kwc n PHE 115 Cb 0.54 -0.05 0.00 0.00 -0.01 0.00 0.00 39.48 39.96 2kwc n PHE 115 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18