#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 0.00 -3.97 3.17 1.57 -2.05 -3.45 116.57 111.84 2kwc h LYS 2 Ca 0.00 0.00 -0.55 0.00 -1.87 0.00 0.00 60.65 58.23 2kwc h LYS 2 Cb 0.00 0.00 -0.39 0.00 0.08 0.00 0.00 32.23 31.92 2kwc h LYS 2 CO 0.00 0.79 -0.78 -1.12 -0.57 0.00 0.00 179.45 177.77 2kwc s SER 3 N -6.26 2.98 0.36 0.86 0.01 -1.26 -5.00 113.70 105.39 2kwc s SER 3 Ca -0.19 -0.78 0.07 0.00 1.31 0.00 0.00 55.95 56.37 2kwc s SER 3 Cb 0.00 -0.83 0.78 0.00 0.21 0.00 0.00 66.02 66.18 2kwc s SER 3 CO 0.53 -0.23 1.92 0.71 0.41 0.00 0.00 173.24 176.57 2kwc h THR 4 N 6.48 0.94 -0.59 1.44 1.35 -2.01 0.45 112.91 120.96 2kwc h THR 4 Ca -0.20 -0.25 0.17 0.00 -0.55 0.00 0.00 66.41 65.58 2kwc h THR 4 Cb 1.11 0.15 -0.02 0.00 -1.73 0.00 0.00 68.15 67.65 2kwc h THR 4 CO 0.37 0.13 0.66 -0.26 -0.25 0.00 0.00 175.52 176.17 2kwc h PHE 5 N 0.73 0.00 0.13 4.73 0.04 -1.92 1.37 116.94 122.02 2kwc h PHE 5 Ca 0.37 0.00 -0.00 0.00 2.80 0.00 0.00 57.97 61.14 2kwc h PHE 5 Cb 0.48 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.62 2kwc h PHE 5 CO -0.00 0.00 -0.13 -0.22 -0.60 0.00 0.00 178.31 177.36 2kwc h LYS 6 N 0.00 -0.25 0.00 1.51 1.63 -1.07 -2.47 116.57 115.92 2kwc h LYS 6 Ca 0.28 0.02 -0.25 0.00 -0.85 0.00 0.00 60.65 59.85 2kwc h LYS 6 Cb 1.59 0.06 -0.04 0.00 -0.60 0.00 0.00 32.23 33.24 2kwc h LYS 6 CO -0.00 -0.17 -1.42 -1.13 -3.45 0.00 0.00 179.45 173.28 2kwc n SER 7 N -3.07 1.87 -0.58 4.20 3.41 -0.66 -4.13 113.62 114.67 2kwc n SER 7 Ca -0.03 0.42 0.47 0.00 -0.26 0.00 0.00 58.87 59.47 2kwc n SER 7 Cb 0.12 -0.93 0.77 0.00 -0.26 0.00 0.00 64.21 63.91 2kwc n SER 7 CO 0.00 0.00 0.00 -0.08 -0.16 0.00 0.00 175.04 174.80 2kwc h GLU 8 N -1.00 0.02 -4.24 4.33 4.81 0.16 -3.39 114.58 115.27 2kwc h GLU 8 Ca -0.38 -0.00 -0.14 0.00 -0.13 0.00 0.00 59.36 58.71 2kwc h GLU 8 Cb 1.29 -0.00 -0.16 0.00 0.63 0.00 0.00 28.75 30.50 2kwc h GLU 8 CO -0.23 0.01 -0.69 0.71 -0.73 0.00 0.00 179.01 178.09 2kwc s TYR 9 N -4.98 0.51 0.87 0.92 1.51 -0.93 -4.94 117.35 110.31 2kwc s TYR 9 Ca -0.06 -0.96 -0.12 0.00 -1.01 0.00 0.00 57.07 54.92 2kwc s TYR 9 Cb 0.27 -0.37 0.11 0.00 -0.11 0.00 0.00 41.96 41.86 2kwc s TYR 9 CO 0.86 -0.33 1.12 -1.25 -1.11 0.00 0.00 175.55 174.85 2kwc s PRO 10 N -3.49 1.50 0.25 -1.71 0.04 -1.26 -4.20 135.00 126.13 2kwc s PRO 10 Ca 0.04 0.42 0.12 0.00 0.04 0.00 0.00 61.00 61.62 2kwc s PRO 10 Cb 0.05 -1.87 0.19 0.00 0.04 0.00 0.00 34.50 32.90 2kwc s PRO 10 CO -0.08 -1.98 1.50 0.35 0.04 0.00 0.00 177.00 176.83 2kwc h PHE 11 N -1.34 0.00 -0.04 0.56 3.04 -1.86 -3.28 116.94 114.03 2kwc h PHE 11 Ca -0.49 0.00 -0.03 0.00 3.98 0.00 0.00 57.97 61.43 2kwc h PHE 11 Cb 1.31 0.00 0.00 0.00 2.56 0.00 0.00 35.95 39.82 2kwc h PHE 11 CO 0.36 0.66 -0.08 0.93 -2.02 0.00 0.00 178.31 178.15 2kwc h GLU 12 N 0.00 0.12 -1.37 1.11 4.39 -1.99 -2.95 114.58 113.90 2kwc h GLU 12 Ca -0.01 -0.08 0.40 0.00 0.34 0.00 0.00 59.36 60.01 2kwc h GLU 12 Cb 1.33 0.01 -0.05 0.00 -0.10 0.00 0.00 28.75 29.93 2kwc h GLU 12 CO 0.09 0.68 1.06 0.87 -1.16 0.00 0.00 179.01 180.54 2kwc h LYS 13 N -0.42 0.00 0.01 2.33 1.79 -1.96 1.07 116.57 119.39 2kwc h LYS 13 Ca -0.00 0.00 -0.08 0.00 -2.18 0.00 0.00 60.65 58.39 2kwc h LYS 13 Cb 0.68 0.00 0.01 0.00 -1.58 0.00 0.00 32.23 31.33 2kwc h LYS 13 CO 0.02 0.00 -0.33 0.00 -1.08 0.00 0.00 179.45 178.06 2kwc h ARG 14 N 0.00 0.20 0.89 3.15 3.08 -1.61 -2.73 114.38 117.36 2kwc h ARG 14 Ca 0.65 -0.23 -0.04 0.00 0.07 0.00 0.00 59.98 60.42 2kwc h ARG 14 Cb 2.76 0.07 0.01 0.00 0.08 0.00 0.00 29.97 32.89 2kwc h ARG 14 CO -0.01 0.98 -0.43 -0.22 -1.07 0.00 0.00 179.97 179.23 2kwc h LYS 15 N -0.48 -1.16 -0.85 0.04 3.64 0.11 -2.68 116.57 115.20 2kwc h LYS 15 Ca -0.04 0.08 0.20 0.00 -1.27 0.00 0.00 60.65 59.62 2kwc h LYS 15 Cb 1.11 0.26 -0.15 0.00 -0.41 0.00 0.00 32.23 33.03 2kwc h LYS 15 CO 0.06 -0.77 -0.03 0.00 -2.27 0.00 0.00 179.45 176.44 2kwc h ALA 16 N -1.38 0.86 -0.98 5.00 0.00 -0.67 1.26 119.26 123.35 2kwc h ALA 16 Ca -0.12 0.29 0.23 0.00 0.00 0.00 0.00 54.91 55.31 2kwc h ALA 16 Cb 0.92 0.52 -0.12 0.00 0.00 0.00 0.00 17.79 19.11 2kwc h ALA 16 CO 0.20 -0.46 0.55 1.49 0.00 0.00 0.00 179.25 181.03 2kwc h GLU 17 N 0.06 0.55 -0.08 0.00 4.81 -1.25 0.17 114.58 118.84 2kwc h GLU 17 Ca 0.47 -0.03 -0.19 0.00 -0.13 0.00 0.00 59.36 59.48 2kwc h GLU 17 Cb 0.85 -0.12 0.01 0.00 0.63 0.00 0.00 28.75 30.12 2kwc h GLU 17 CO -0.79 0.36 -0.70 1.03 -0.73 0.00 0.00 179.01 178.19 2kwc h SER 18 N 0.57 0.74 -0.58 1.04 0.87 0.18 -2.81 113.55 113.56 2kwc h SER 18 Ca 0.61 -0.68 0.17 0.00 -1.23 0.00 0.00 61.79 60.66 2kwc h SER 18 Cb 1.13 -0.22 -0.02 0.00 -0.44 0.00 0.00 62.40 62.85 2kwc h SER 18 CO -0.47 1.31 0.55 -0.33 -0.53 0.00 0.00 176.83 177.37 2kwc h GLU 19 N 0.24 0.00 0.00 2.24 5.08 0.20 0.69 114.58 123.03 2kwc h GLU 19 Ca -0.07 0.00 -0.03 0.00 -1.00 0.00 0.00 59.36 58.27 2kwc h GLU 19 Cb 1.35 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.60 2kwc h GLU 19 CO 0.14 0.00 -0.19 0.00 -1.00 0.00 0.00 179.01 177.96 2kwc h ARG 20 N 0.00 0.00 0.00 2.33 3.08 -1.14 -1.99 114.38 116.65 2kwc h ARG 20 Ca 0.27 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.32 2kwc h ARG 20 Cb 1.38 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.43 2kwc h ARG 20 CO -0.00 0.55 0.00 0.82 -1.07 0.00 0.00 179.97 180.26 2kwc h ILE 21 N -1.00 0.00 0.14 2.04 2.04 -0.94 -0.41 117.51 119.38 2kwc h ILE 21 Ca -0.04 -0.01 -0.28 0.00 1.00 0.00 0.00 64.86 65.53 2kwc h ILE 21 Cb 0.63 0.97 0.01 0.00 -0.74 0.00 0.00 36.82 37.69 2kwc h ILE 21 CO -0.02 0.00 -1.37 0.00 0.00 0.00 0.00 178.15 176.75 2kwc h ALA 22 N 2.00 0.09 -0.97 1.87 0.00 0.27 0.39 119.26 122.91 2kwc h ALA 22 Ca 0.00 -1.01 0.05 0.00 0.00 0.00 0.00 54.91 53.95 2kwc h ALA 22 Cb 0.01 0.38 -0.06 0.00 0.00 0.00 0.00 17.79 18.13 2kwc h ALA 22 CO 0.00 0.77 0.63 0.22 0.00 0.00 0.00 179.25 180.87 2kwc h ASP 23 N -0.20 1.03 0.00 0.00 1.82 -0.33 0.77 116.42 119.51 2kwc h ASP 23 Ca -0.28 -0.00 -0.12 0.00 -0.39 0.00 0.00 57.03 56.24 2kwc h ASP 23 Cb 1.84 -0.23 -0.02 0.00 0.68 0.00 0.00 39.33 41.60 2kwc h ASP 23 CO 0.12 0.69 -0.67 -0.09 -1.61 0.00 0.00 179.24 177.68 2kwc h ARG 24 N 1.19 0.00 -2.43 0.28 1.12 -1.34 -3.42 114.38 109.78 2kwc h ARG 24 Ca 0.40 0.00 -0.60 0.00 -1.11 0.00 0.00 59.98 58.67 2kwc h ARG 24 Cb 0.06 0.00 -0.41 0.00 -0.01 0.00 0.00 29.97 29.61 2kwc h ARG 24 CO -0.14 0.94 -0.73 1.19 -3.11 0.00 0.00 179.97 178.12 2kwc n PHE 25 N -4.52 2.25 1.33 2.20 3.72 0.14 -4.88 117.46 117.68 2kwc n PHE 25 Ca -0.21 -3.99 0.12 0.00 -0.05 0.00 0.00 57.45 53.32 2kwc n PHE 25 Cb 0.57 -0.44 0.65 0.00 -0.94 0.00 0.00 39.48 39.32 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 1.50 0.58 -0.25 -1.08 -0.04 0.27 -1.91 135.00 134.07 2kwc n PRO 26 Ca 0.26 0.03 0.09 0.00 -0.04 0.00 0.00 63.50 63.83 2kwc n PRO 26 Cb 0.42 -1.50 0.23 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 -1.11 3.38 -4.39 3.54 5.03 -1.26 -4.97 115.26 115.48 2kwc n ASN 27 Ca 0.15 -1.97 -0.18 0.00 0.87 0.00 0.00 54.58 53.45 2kwc n ASN 27 Cb 0.12 -0.33 0.03 0.00 -1.02 0.00 0.00 39.78 38.58 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 1.13 0.74 -3.43 3.52 3.00 -0.80 -2.57 116.66 118.24 2kwc n ARG 28 Ca 0.18 -2.69 -0.25 0.00 -0.01 0.00 0.00 57.85 55.08 2kwc n ARG 28 Cb 0.53 0.02 -0.10 0.00 0.00 0.00 0.00 32.46 32.90 2kwc n ARG 28 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.63 178.05 2kwc s ILE 29 N -2.09 -0.04 -0.92 0.55 1.01 0.32 -4.75 121.20 115.27 2kwc s ILE 29 Ca 0.40 -1.42 -0.24 0.00 0.00 0.00 0.00 60.65 59.38 2kwc s ILE 29 Cb -0.03 -0.95 0.00 0.00 0.01 0.00 0.00 42.46 41.49 2kwc s ILE 29 CO 0.25 -0.84 1.67 -2.16 0.00 0.00 0.00 174.94 173.87 2kwc s PRO 30 N 1.23 3.06 0.40 2.79 0.04 -1.25 -2.90 135.00 138.36 2kwc s PRO 30 Ca 0.17 -0.58 -0.12 0.00 0.04 0.00 0.00 61.00 60.52 2kwc s PRO 30 Cb -0.20 -5.07 -0.07 0.00 0.04 0.00 0.00 34.50 29.20 2kwc s PRO 30 CO -0.01 -2.72 0.78 0.08 0.04 0.00 0.00 177.00 175.16 2kwc s VAL 31 N 7.44 4.74 -0.42 -0.36 1.01 0.26 -3.68 120.40 129.39 2kwc s VAL 31 Ca 0.57 0.74 0.02 0.00 0.00 0.00 0.00 61.98 63.30 2kwc s VAL 31 Cb -0.04 -3.70 0.13 0.00 0.00 0.00 0.00 36.38 32.76 2kwc s VAL 31 CO -0.02 -0.46 0.21 -0.63 0.00 0.00 0.00 175.10 174.20 2kwc s ILE 32 N -2.31 1.52 0.27 2.22 -1.09 -0.93 -0.99 121.20 119.90 2kwc s ILE 32 Ca 0.52 -2.46 -0.05 0.00 -2.23 0.00 0.00 60.65 56.44 2kwc s ILE 32 Cb -0.10 -2.08 -0.05 0.00 -1.58 0.00 0.00 42.46 38.65 2kwc s ILE 32 CO 0.28 -0.83 0.53 0.00 -1.23 0.00 0.00 174.94 173.69 2kwc s GLU 34 N -3.49 -0.03 0.28 0.00 8.01 -0.77 -4.48 118.70 118.23 2kwc s GLU 34 Ca 0.43 0.37 -0.30 0.00 0.01 0.00 0.00 54.97 55.49 2kwc s GLU 34 Cb -0.11 -0.61 -0.13 0.00 -4.31 0.00 0.00 34.13 28.97 2kwc s GLU 34 CO 0.29 -0.37 1.39 1.17 0.01 0.00 0.00 175.26 177.75 2kwc n LYS 35 N 5.30 2.14 -2.23 1.61 0.00 -1.26 -4.16 118.16 119.55 2kwc n LYS 35 Ca -0.04 0.76 -0.42 0.00 0.00 0.00 0.00 58.31 58.60 2kwc n LYS 35 Cb 0.50 -2.40 -0.03 0.00 0.00 0.00 0.00 35.03 33.10 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 -0.42 3.60 0.21 3.14 0.00 -1.15 -4.90 121.76 122.24 2kwc s ALA 36 Ca 0.63 0.80 -0.09 0.00 0.00 0.00 0.00 51.96 53.29 2kwc s ALA 36 Cb -0.60 -3.62 0.23 0.00 0.00 0.00 0.00 23.12 19.13 2kwc s ALA 36 CO 0.54 -1.04 1.81 1.05 0.00 0.00 0.00 175.76 178.12 2kwc h GLU 37 N 8.20 0.68 -0.46 0.00 4.11 -1.93 -1.69 114.58 123.50 2kwc h GLU 37 Ca -0.36 -0.04 0.07 0.00 0.07 0.00 0.00 59.36 59.10 2kwc h GLU 37 Cb 1.16 -0.15 -0.06 0.00 0.50 0.00 0.00 28.75 30.20 2kwc h GLU 37 CO 0.92 0.45 0.12 0.87 0.07 0.00 0.00 179.01 181.45 2kwc h LYS 38 N 0.71 0.26 -5.89 1.06 1.79 -1.99 -3.43 116.57 109.07 2kwc h LYS 38 Ca 0.30 -0.02 -0.55 0.00 -2.18 0.00 0.00 60.65 58.20 2kwc h LYS 38 Cb 0.17 -0.06 0.22 0.00 -1.58 0.00 0.00 32.23 30.98 2kwc h LYS 38 CO -0.17 0.17 -1.68 -1.13 -1.08 0.00 0.00 179.45 175.56 2kwc n SER 39 N -5.07 -5.42 -1.55 0.86 3.41 -0.64 -4.85 113.62 100.36 2kwc n SER 39 Ca 0.04 0.28 -0.10 0.00 -0.26 0.00 0.00 58.87 58.83 2kwc n SER 39 Cb 0.21 -0.77 0.20 0.00 -0.26 0.00 0.00 64.21 63.59 2kwc n SER 39 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 2kwc n ASP 40 N 3.22 3.11 -4.97 4.04 8.00 -1.26 -4.99 116.55 123.71 2kwc n ASP 40 Ca 0.00 -3.65 -0.21 0.00 0.71 0.00 0.00 54.79 51.64 2kwc n ASP 40 Cb 0.53 -0.70 -0.02 0.00 -0.02 0.00 0.00 41.12 40.91 2kwc n ASP 40 CO 0.00 0.00 0.00 0.27 -0.39 0.00 0.00 177.20 177.08 2kwc s ILE 41 N -3.23 5.20 -0.03 0.53 -4.36 -1.26 -5.02 121.20 113.03 2kwc s ILE 41 Ca 0.49 -0.96 -0.30 0.00 -0.26 0.00 0.00 60.65 59.63 2kwc s ILE 41 Cb 0.43 -3.84 -0.04 0.00 1.25 0.00 0.00 42.46 40.26 2kwc s ILE 41 CO 0.05 -0.34 1.21 -2.16 0.24 0.00 0.00 174.94 173.94 2kwc s PRO 42 N -4.01 4.36 0.92 0.37 0.04 -1.26 -5.00 135.00 130.42 2kwc s PRO 42 Ca 0.35 1.70 -0.11 0.00 0.04 0.00 0.00 61.00 62.98 2kwc s PRO 42 Cb -0.09 -3.53 0.11 0.00 0.04 0.00 0.00 34.50 31.03 2kwc s PRO 42 CO 0.30 -0.42 0.92 -1.91 0.04 0.00 0.00 177.00 175.93 2kwc n GLU 43 N 5.02 -0.38 -2.48 4.56 2.13 -1.26 -4.87 120.64 123.36 2kwc n GLU 43 Ca 0.11 -0.05 -0.14 0.00 0.66 0.00 0.00 57.16 57.74 2kwc n GLU 43 Cb 0.46 -2.22 0.03 0.00 0.27 0.00 0.00 31.44 29.98 2kwc n GLU 43 CO 0.00 0.00 0.00 0.44 -0.41 0.00 0.00 177.13 177.16 2kwc n ILE 44 N -4.00 0.00 0.26 6.31 -5.35 -1.26 -4.97 119.36 110.35 2kwc n ILE 44 Ca 0.10 -1.28 -0.11 0.00 -0.27 0.00 0.00 62.75 61.20 2kwc n ILE 44 Cb 0.52 -0.54 -0.05 0.00 -1.74 0.00 0.00 39.64 37.83 2kwc n ILE 44 CO 0.00 0.00 0.00 0.44 -1.76 0.00 0.00 176.55 175.23 2kwc h ASP 45 N 0.17 -0.60 -1.16 7.28 3.32 -1.96 -3.49 116.42 119.98 2kwc h ASP 45 Ca -0.19 0.02 0.00 0.00 0.02 0.00 0.00 57.03 56.88 2kwc h ASP 45 Cb 0.80 0.16 0.00 0.00 0.22 0.00 0.00 39.33 40.50 2kwc h ASP 45 CO 0.28 -0.21 0.00 2.29 -1.72 0.00 0.00 179.24 179.87 2kwc n LYS 46 N -5.14 0.00 -3.98 3.56 0.00 -1.26 -5.13 118.16 106.21 2kwc n LYS 46 Ca -0.09 0.00 -0.32 0.00 -0.00 0.00 0.00 58.31 57.90 2kwc n LYS 46 Cb 0.28 0.00 -0.14 0.00 -0.00 0.00 0.00 35.03 35.17 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 -1.37 1.70 -0.21 -1.58 3.03 -1.26 -5.02 118.95 114.24 2kwc s ARG 47 Ca 0.00 -1.78 -0.09 0.00 2.03 0.00 0.00 55.73 55.89 2kwc s ARG 47 Cb 0.00 -3.23 0.08 0.00 -1.03 0.00 0.00 34.95 30.77 2kwc s ARG 47 CO 0.00 -0.90 0.46 0.21 -1.13 0.00 0.00 175.30 173.94 2kwc s LYS 48 N 0.98 0.40 -0.24 3.89 2.36 -1.26 -4.73 119.74 121.13 2kwc s LYS 48 Ca 0.07 1.02 -0.04 0.00 -2.55 0.00 0.00 55.97 54.48 2kwc s LYS 48 Cb -0.20 0.26 0.08 0.00 -1.05 0.00 0.00 37.83 36.92 2kwc s LYS 48 CO -0.07 -0.21 0.10 0.71 1.55 0.00 0.00 175.35 177.43 2kwc s TYR 49 N 2.18 0.59 -0.67 4.03 1.51 -0.16 -4.96 117.35 119.87 2kwc s TYR 49 Ca -0.05 -0.83 -0.08 0.00 -1.01 0.00 0.00 57.07 55.10 2kwc s TYR 49 Cb -0.10 -0.97 0.17 0.00 -0.11 0.00 0.00 41.96 40.95 2kwc s TYR 49 CO -0.14 -0.71 0.54 -1.17 -1.11 0.00 0.00 175.55 172.96 2kwc s LEU 50 N 2.00 5.87 0.19 -1.29 0.20 -1.26 0.93 118.68 125.31 2kwc s LEU 50 Ca 0.05 -2.62 0.10 0.00 0.69 0.00 0.00 54.13 52.35 2kwc s LEU 50 Cb -0.16 -2.01 -0.04 0.00 -0.43 0.00 0.00 46.19 43.54 2kwc s LEU 50 CO -0.22 -0.50 -0.14 0.68 -0.29 0.00 0.00 176.35 175.87 2kwc s VAL 51 N 0.28 2.93 0.99 1.68 -7.23 -1.14 -4.93 120.40 112.98 2kwc s VAL 51 Ca 0.15 -1.78 -0.15 0.00 -1.81 0.00 0.00 61.98 58.40 2kwc s VAL 51 Cb -0.18 -2.44 0.18 0.00 0.56 0.00 0.00 36.38 34.50 2kwc s VAL 51 CO -0.05 -0.12 1.17 -2.16 -0.31 0.00 0.00 175.10 173.64 2kwc s PRO 52 N -2.79 0.50 -0.07 4.82 0.04 -1.26 0.12 135.00 136.35 2kwc s PRO 52 Ca 0.24 0.05 0.07 0.00 0.04 0.00 0.00 61.00 61.39 2kwc s PRO 52 Cb -0.08 -1.79 0.33 0.00 0.04 0.00 0.00 34.50 32.99 2kwc s PRO 52 CO 0.14 -2.58 1.08 0.00 0.04 0.00 0.00 177.00 175.67 2kwc n ALA 53 N -3.99 2.92 -0.00 8.56 0.00 -1.06 -3.06 120.51 123.88 2kwc n ALA 53 Ca 0.10 -0.73 0.00 0.00 0.00 0.00 0.00 53.44 52.81 2kwc n ALA 53 Cb 0.59 -1.03 0.00 0.00 0.00 0.00 0.00 19.45 19.01 2kwc n ALA 53 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 2kwc n ASP 54 N 0.30 0.70 -4.88 0.00 5.75 -1.26 -4.41 116.55 112.74 2kwc n ASP 54 Ca 0.11 -0.85 -0.30 0.00 -0.01 0.00 0.00 54.79 53.74 2kwc n ASP 54 Cb 0.55 0.30 -0.04 0.00 -1.03 0.00 0.00 41.12 40.90 2kwc n ASP 54 CO 0.00 0.00 0.00 -0.22 -0.11 0.00 0.00 177.20 176.87 2kwc s LEU 55 N -0.61 4.04 0.33 -2.12 0.20 -1.17 -4.96 118.68 114.38 2kwc s LEU 55 Ca 0.00 0.93 0.09 0.00 0.69 0.00 0.00 54.13 55.84 2kwc s LEU 55 Cb 0.00 -3.74 -0.05 0.00 -0.43 0.00 0.00 46.19 41.97 2kwc s LEU 55 CO 0.00 -0.21 0.07 0.42 -0.29 0.00 0.00 176.35 176.34 2kwc s THR 56 N -2.06 2.93 0.27 3.68 -4.23 -1.26 -1.51 115.64 113.46 2kwc s THR 56 Ca 0.48 -1.84 0.00 0.00 -1.18 0.00 0.00 61.69 59.15 2kwc s THR 56 Cb -0.11 -2.89 0.27 0.00 1.34 0.00 0.00 72.50 71.12 2kwc s THR 56 CO 0.26 -0.22 1.69 0.58 -0.54 0.00 0.00 174.62 176.40 2kwc h VAL 57 N 1.70 0.49 -0.95 2.29 2.07 -1.50 -0.77 116.25 119.58 2kwc h VAL 57 Ca -0.43 -0.12 0.13 0.00 0.82 0.00 0.00 66.70 67.09 2kwc h VAL 57 Cb 1.25 0.11 -0.14 0.00 -1.52 0.00 0.00 31.29 30.99 2kwc h VAL 57 CO 0.64 0.06 -0.43 0.61 0.02 0.00 0.00 177.57 178.47 2kwc n GLY 58 N -1.35 -2.13 0.16 2.17 0.00 -0.62 0.24 105.19 103.66 2kwc n GLY 58 Ca 0.19 1.09 -0.09 0.00 0.00 0.00 0.00 46.02 47.20 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 -0.15 1.61 1.08 -1.40 -2.74 115.11 113.38 2kwc h GLN 59 Ca 0.27 0.01 0.04 0.00 -1.45 0.00 0.00 58.65 57.52 2kwc h GLN 59 Cb 0.51 0.03 -0.07 0.00 -0.05 0.00 0.00 27.48 27.90 2kwc h GLN 59 CO -0.93 -0.08 -0.50 0.35 -0.95 0.00 0.00 178.83 176.73 2kwc h PHE 60 N -0.12 -1.46 -1.56 2.96 3.57 -0.07 0.50 116.94 120.76 2kwc h PHE 60 Ca 0.09 0.06 0.45 0.00 3.53 0.00 0.00 57.97 62.10 2kwc h PHE 60 Cb 0.25 0.66 -0.07 0.00 2.79 0.00 0.00 35.95 39.58 2kwc h PHE 60 CO -0.24 -0.52 1.11 0.28 -2.23 0.00 0.00 178.31 176.72 2kwc h VAL 61 N -0.54 0.20 0.11 1.41 2.07 -0.55 0.82 116.25 119.77 2kwc h VAL 61 Ca 0.06 -0.01 -0.14 0.00 0.82 0.00 0.00 66.70 67.43 2kwc h VAL 61 Cb 0.66 0.18 0.02 0.00 -1.52 0.00 0.00 31.29 30.63 2kwc h VAL 61 CO -0.44 0.00 -0.64 0.22 0.02 0.00 0.00 177.57 176.74 2kwc h TYR 62 N 0.02 0.40 -0.83 1.57 3.20 0.11 -3.12 116.97 118.33 2kwc h TYR 62 Ca 0.76 -0.29 0.20 0.00 3.14 0.00 0.00 58.73 62.54 2kwc h TYR 62 Cb 2.96 -0.02 -0.14 0.00 1.54 0.00 0.00 36.73 41.08 2kwc h TYR 62 CO -0.00 1.24 0.15 0.28 -1.64 0.00 0.00 178.16 178.19 2kwc h VAL 63 N -0.53 0.34 0.56 1.81 2.07 0.38 0.11 116.25 120.98 2kwc h VAL 63 Ca -0.11 -0.06 -0.03 0.00 0.82 0.00 0.00 66.70 67.32 2kwc h VAL 63 Cb 1.49 0.15 0.01 0.00 -1.52 0.00 0.00 31.29 31.41 2kwc h VAL 63 CO 0.11 0.03 -0.27 0.40 0.02 0.00 0.00 177.57 177.86 2kwc h ILE 64 N 0.18 0.44 -1.07 4.57 5.03 -1.41 -1.03 117.51 124.22 2kwc h ILE 64 Ca 0.49 -0.08 0.31 0.00 -0.12 0.00 0.00 64.86 65.46 2kwc h ILE 64 Cb 0.93 0.47 -0.04 0.00 -3.03 0.00 0.00 36.82 35.15 2kwc h ILE 64 CO -0.65 0.01 1.04 -0.09 -0.68 0.00 0.00 178.15 177.79 2kwc h ARG 65 N -0.80 0.00 0.13 2.37 9.65 -0.77 1.51 114.38 126.47 2kwc h ARG 65 Ca -0.08 0.00 -0.23 0.00 -1.10 0.00 0.00 59.98 58.57 2kwc h ARG 65 Cb 0.60 0.00 0.01 0.00 -1.39 0.00 0.00 29.97 29.19 2kwc h ARG 65 CO 0.13 0.00 -1.09 0.87 2.80 0.00 0.00 179.97 182.67 2kwc h LYS 66 N 0.00 0.28 -0.13 0.20 1.79 -0.27 0.95 116.57 119.38 2kwc h LYS 66 Ca 0.51 -0.47 0.04 0.00 -2.18 0.00 0.00 60.65 58.54 2kwc h LYS 66 Cb 2.59 0.18 -0.01 0.00 -1.58 0.00 0.00 32.23 33.41 2kwc h LYS 66 CO -0.01 1.23 0.10 0.00 -1.08 0.00 0.00 179.45 179.69 2kwc h ARG 67 N -0.34 0.00 -0.00 3.15 2.47 0.32 -0.78 114.38 119.20 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 1.70 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 30.02 2kwc h ARG 67 CO 0.11 0.00 -0.50 0.44 0.56 0.00 0.00 179.97 180.58 2kwc n ILE 68 N -4.48 0.00 -4.31 2.04 -5.35 0.27 -4.79 119.36 102.74 2kwc n ILE 68 Ca 0.00 -0.25 -0.33 0.00 -0.27 0.00 0.00 62.75 61.90 2kwc n ILE 68 Cb 0.22 1.04 -0.08 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 -1.01 -1.41 -1.69 6.28 0.00 0.32 -4.88 117.12 114.73 2kwc n MET 69 Ca 0.03 0.17 -0.33 0.00 0.00 0.00 0.00 57.70 57.57 2kwc n MET 69 Cb 0.21 -4.08 0.05 0.00 0.00 0.00 0.00 33.22 29.41 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 -7.29 3.34 0.93 3.17 1.02 -0.65 -5.00 118.68 114.21 2kwc s LEU 70 Ca 0.24 1.96 -0.13 0.00 0.02 0.00 0.00 54.13 56.22 2kwc s LEU 70 Cb -0.14 -4.55 0.15 0.00 0.02 0.00 0.00 46.19 41.68 2kwc s LEU 70 CO 0.98 -1.67 1.15 -2.16 0.02 0.00 0.00 176.35 174.67 2kwc s PRO 71 N -4.22 0.96 0.00 1.29 0.04 -1.26 -4.92 135.00 126.88 2kwc s PRO 71 Ca 0.66 0.22 0.23 0.00 0.04 0.00 0.00 61.00 62.15 2kwc s PRO 71 Cb -0.20 -1.82 1.40 0.00 0.04 0.00 0.00 34.50 33.91 2kwc s PRO 71 CO 0.44 -2.31 1.77 -0.35 0.04 0.00 0.00 177.00 176.59 2kwc n PRO 72 N -3.83 0.75 -0.06 0.56 -0.04 -1.26 -2.83 135.00 128.29 2kwc n PRO 72 Ca 0.08 0.00 -0.20 0.00 -0.04 0.00 0.00 63.50 63.33 2kwc n PRO 72 Cb 0.59 -1.49 -0.13 0.00 -0.04 0.00 0.00 33.50 32.44 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 0.70 -0.44 0.54 1.02 -1.26 -4.96 120.64 115.25 2kwc n GLU 73 Ca 0.18 0.23 -0.23 0.00 -0.02 0.00 0.00 57.16 57.32 2kwc n GLU 73 Cb 0.08 -1.63 0.20 0.00 -0.02 0.00 0.00 31.44 30.07 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 -3.47 -3.03 -3.28 3.49 4.76 -1.13 -5.03 118.16 110.47 2kwc n LYS 74 Ca -0.38 -0.90 -0.06 0.00 -2.87 0.00 0.00 58.31 54.11 2kwc n LYS 74 Cb 1.00 -1.65 -0.05 0.00 -1.84 0.00 0.00 35.03 32.49 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 -2.11 -1.44 0.28 7.82 0.00 -1.26 -4.98 121.76 120.07 2kwc s ALA 75 Ca 0.48 0.88 0.08 0.00 0.00 0.00 0.00 51.96 53.40 2kwc s ALA 75 Cb -0.09 -1.96 -0.04 0.00 0.00 0.00 0.00 23.12 21.03 2kwc s ALA 75 CO 0.44 -1.47 0.10 -1.50 0.00 0.00 0.00 175.76 173.33 2kwc s ILE 76 N 2.62 3.64 -0.08 0.00 2.07 -1.26 -3.78 121.20 124.42 2kwc s ILE 76 Ca 0.13 -1.69 -0.16 0.00 -1.41 0.00 0.00 60.65 57.52 2kwc s ILE 76 Cb -0.14 -3.05 0.03 0.00 0.13 0.00 0.00 42.46 39.43 2kwc s ILE 76 CO -0.22 -0.31 0.38 -0.36 -1.91 0.00 0.00 174.94 172.51 2kwc s PHE 77 N -2.29 -0.33 -0.12 3.50 0.40 0.60 -4.96 117.98 114.79 2kwc s PHE 77 Ca 0.34 0.68 -0.06 0.00 -0.60 0.00 0.00 56.93 57.29 2kwc s PHE 77 Cb -0.06 0.14 -0.04 0.00 0.51 0.00 0.00 43.02 43.58 2kwc s PHE 77 CO 0.22 -0.33 0.11 0.42 0.70 0.00 0.00 175.22 176.34 2kwc s ILE 78 N -0.65 5.22 -0.10 0.64 -1.09 -1.26 -0.82 121.20 123.13 2kwc s ILE 78 Ca -0.07 0.10 -0.01 0.00 -2.23 0.00 0.00 60.65 58.44 2kwc s ILE 78 Cb -0.04 -3.26 0.03 0.00 -1.58 0.00 0.00 42.46 37.60 2kwc s ILE 78 CO 0.03 0.60 -0.06 -0.36 -1.23 0.00 0.00 174.94 173.93 2kwc s PHE 79 N -0.89 1.27 -0.14 3.97 0.40 -0.72 -4.50 117.98 117.37 2kwc s PHE 79 Ca 0.14 -0.58 -0.02 0.00 -0.60 0.00 0.00 56.93 55.86 2kwc s PHE 79 Cb -0.12 -1.11 -0.02 0.00 0.51 0.00 0.00 43.02 42.28 2kwc s PHE 79 CO 0.03 -0.46 -0.08 0.54 0.70 0.00 0.00 175.22 175.96 2kwc s VAL 80 N 1.72 3.53 -0.97 -0.44 0.11 0.42 -2.08 120.40 122.68 2kwc s VAL 80 Ca 0.04 -0.49 -0.12 0.00 -2.93 0.00 0.00 61.98 58.48 2kwc s VAL 80 Cb -0.13 -2.52 0.00 0.00 -1.53 0.00 0.00 36.38 32.21 2kwc s VAL 80 CO -0.07 0.51 0.69 0.59 -3.33 0.00 0.00 175.10 173.49 2kwc n ASN 81 N 3.50 -5.40 -4.01 3.54 5.03 -1.26 0.36 115.26 117.03 2kwc n ASN 81 Ca -0.18 -0.89 -0.32 0.00 0.87 0.00 0.00 54.58 54.07 2kwc n ASN 81 Cb 0.53 -2.82 -0.06 0.00 -1.02 0.00 0.00 39.78 36.41 2kwc n ASN 81 CO 0.00 0.00 0.00 0.47 -1.83 0.00 0.00 177.26 175.90 2kwc n ASP 82 N -2.42 -1.68 -3.43 6.41 8.00 -1.26 -4.85 116.55 117.32 2kwc n ASP 82 Ca -0.16 -0.79 -0.21 0.00 0.71 0.00 0.00 54.79 54.34 2kwc n ASP 82 Cb 0.61 -1.49 -0.08 0.00 -0.02 0.00 0.00 41.12 40.14 2kwc n ASP 82 CO 0.00 0.00 0.00 0.28 -0.39 0.00 0.00 177.20 177.09 2kwc s THR 83 N -2.93 0.09 -0.30 -3.53 -1.32 0.16 -5.00 115.64 102.80 2kwc s THR 83 Ca 0.62 -2.00 -0.03 0.00 -1.21 0.00 0.00 61.69 59.07 2kwc s THR 83 Cb -0.36 -2.46 0.10 0.00 -1.51 0.00 0.00 72.50 68.27 2kwc s THR 83 CO 0.76 0.00 0.12 -0.22 -2.21 0.00 0.00 174.62 173.07 2kwc s LEU 84 N -3.43 1.25 0.73 9.08 2.96 -1.26 -0.44 118.68 127.57 2kwc s LEU 84 Ca 0.38 -1.47 -0.11 0.00 -0.22 0.00 0.00 54.13 52.71 2kwc s LEU 84 Cb 0.02 -0.56 0.03 0.00 0.50 0.00 0.00 46.19 46.18 2kwc s LEU 84 CO 0.26 -0.43 1.07 -2.16 -1.32 0.00 0.00 176.35 173.78 2kwc s PRO 85 N 1.86 2.62 0.81 0.98 0.04 -1.26 -5.00 135.00 135.06 2kwc s PRO 85 Ca 0.10 0.84 -0.12 0.00 0.04 0.00 0.00 61.00 61.86 2kwc s PRO 85 Cb -0.17 -1.96 0.08 0.00 0.04 0.00 0.00 34.50 32.49 2kwc s PRO 85 CO -0.31 -1.29 1.10 -1.25 0.04 0.00 0.00 177.00 175.29 2kwc s PRO 86 N -5.08 1.97 0.00 0.56 0.04 -1.26 -4.94 135.00 126.28 2kwc s PRO 86 Ca 0.59 0.59 0.22 0.00 0.04 0.00 0.00 61.00 62.43 2kwc s PRO 86 Cb -0.14 -1.91 1.04 0.00 0.04 0.00 0.00 34.50 33.53 2kwc s PRO 86 CO 0.55 -1.69 1.70 -2.37 0.04 0.00 0.00 177.00 175.23 2kwc n THR 87 N -3.47 0.08 -0.05 1.26 5.66 -1.26 -3.26 114.28 113.24 2kwc n THR 87 Ca 0.07 -0.15 -0.04 0.00 -3.05 0.00 0.00 64.05 60.88 2kwc n THR 87 Cb 0.57 0.01 -0.10 0.00 -1.55 0.00 0.00 70.33 69.27 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 -0.30 1.83 -1.60 1.79 0.00 -1.26 -1.59 120.51 119.38 2kwc n ALA 88 Ca 0.16 -0.71 -0.58 0.00 0.00 0.00 0.00 53.44 52.31 2kwc n ALA 88 Cb 0.20 -0.08 -0.07 0.00 0.00 0.00 0.00 19.45 19.50 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 -2.36 -1.85 -2.50 0.00 0.00 -1.20 -4.66 120.51 107.93 2kwc n ALA 89 Ca -0.17 0.52 -0.42 0.00 0.00 0.00 0.00 53.44 53.37 2kwc n ALA 89 Cb 0.80 -1.96 -0.03 0.00 0.00 0.00 0.00 19.45 18.26 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 1.17 4.31 0.45 0.00 1.98 -1.26 -1.75 118.68 123.57 2kwc s LEU 90 Ca 0.92 1.83 0.25 0.00 -2.89 0.00 0.00 54.13 54.24 2kwc s LEU 90 Cb -1.17 -3.57 1.36 0.00 0.66 0.00 0.00 46.19 43.48 2kwc s LEU 90 CO 0.59 -0.50 1.74 0.24 -1.89 0.00 0.00 176.35 176.52 2kwc h MET 91 N 7.15 0.00 -0.01 1.98 2.86 -1.59 0.16 114.93 125.49 2kwc h MET 91 Ca -0.37 0.00 -0.05 0.00 -2.06 0.00 0.00 59.70 57.22 2kwc h MET 91 Cb 1.18 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.85 2kwc h MET 91 CO 0.84 0.00 -0.20 0.66 1.06 0.00 0.00 176.91 179.27 2kwc h SER 92 N 0.00 0.20 0.69 1.22 4.64 -1.78 -0.64 113.55 117.88 2kwc h SER 92 Ca 0.00 -0.74 -0.16 0.00 -0.47 0.00 0.00 61.79 60.42 2kwc h SER 92 Cb 0.29 -0.06 -0.02 0.00 -0.31 0.00 0.00 62.40 62.30 2kwc h SER 92 CO 0.00 0.91 -0.74 0.00 -0.87 0.00 0.00 176.83 176.13 2kwc h ALA 93 N 0.29 0.76 0.55 5.18 0.00 -1.42 -2.40 119.26 122.21 2kwc h ALA 93 Ca -0.02 -0.67 -0.03 0.00 0.00 0.00 0.00 54.91 54.19 2kwc h ALA 93 Cb 0.94 -0.11 0.01 0.00 0.00 0.00 0.00 17.79 18.62 2kwc h ALA 93 CO 0.04 0.90 -0.27 0.82 0.00 0.00 0.00 179.25 180.75 2kwc h ILE 94 N 0.03 0.00 0.00 0.00 1.08 -0.82 -2.82 117.51 114.98 2kwc h ILE 94 Ca -0.01 -0.33 0.00 0.00 -0.39 0.00 0.00 64.86 64.13 2kwc h ILE 94 Cb 1.31 0.00 0.00 0.00 -3.07 0.00 0.00 36.82 35.06 2kwc h ILE 94 CO 0.10 0.00 0.16 0.22 -0.69 0.00 0.00 178.15 177.94 2kwc h TYR 95 N -1.07 0.00 -0.37 1.37 5.03 -1.19 1.52 116.97 122.26 2kwc h TYR 95 Ca -0.08 0.00 -0.16 0.00 2.58 0.00 0.00 58.73 61.08 2kwc h TYR 95 Cb 0.57 0.00 -0.01 0.00 1.55 0.00 0.00 36.73 38.84 2kwc h TYR 95 CO 0.02 0.00 -0.38 1.96 -1.32 0.00 0.00 178.16 178.44 2kwc h GLN 96 N 0.00 0.92 -0.02 1.82 4.20 -1.23 -1.44 115.11 119.37 2kwc h GLN 96 Ca 0.00 -0.49 0.00 0.00 0.06 0.00 0.00 58.65 58.22 2kwc h GLN 96 Cb 0.32 0.02 0.00 0.00 0.30 0.00 0.00 27.48 28.12 2kwc h GLN 96 CO 0.00 1.14 -0.04 0.39 -0.67 0.00 0.00 178.83 179.65 2kwc n GLU 97 N -4.08 1.15 -0.23 1.46 1.02 0.17 -4.29 120.64 115.85 2kwc n GLU 97 Ca -0.02 -1.28 0.09 0.00 -0.02 0.00 0.00 57.16 55.92 2kwc n GLU 97 Cb 0.54 -1.27 0.18 0.00 -0.02 0.00 0.00 31.44 30.87 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 0.68 0.33 -3.52 -0.32 8.25 0.50 -5.00 115.22 116.14 2kwc n HIS 98 Ca 0.08 -1.00 -0.37 0.00 -0.26 0.00 0.00 57.72 56.17 2kwc n HIS 98 Cb 0.36 -0.22 -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 -2.89 4.02 0.68 -0.41 2.36 -0.54 -4.36 119.74 118.60 2kwc s LYS 99 Ca 0.36 0.27 0.05 0.00 -2.55 0.00 0.00 55.97 54.10 2kwc s LYS 99 Cb 0.31 -3.31 0.13 0.00 -1.05 0.00 0.00 37.83 33.91 2kwc s LYS 99 CO 0.04 0.49 0.93 0.34 1.55 0.00 0.00 175.35 178.71 2kwc s ASP 100 N -0.38 4.57 0.35 1.43 3.68 -1.19 -4.89 116.67 120.24 2kwc s ASP 100 Ca 0.21 -0.71 0.26 0.00 2.13 0.00 0.00 52.55 54.44 2kwc s ASP 100 Cb -0.15 0.35 1.25 0.00 -1.45 0.00 0.00 42.92 42.92 2kwc s ASP 100 CO 0.09 -1.73 1.78 0.11 0.13 0.00 0.00 175.17 175.55 2kwc h LYS 101 N -0.27 0.00 0.00 4.34 1.57 -1.98 0.23 116.57 120.46 2kwc h LYS 101 Ca -0.31 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.47 2kwc h LYS 101 Cb 1.27 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.58 2kwc h LYS 101 CO 0.38 0.00 -0.65 -0.44 -0.57 0.00 0.00 179.45 178.18 2kwc h ASP 102 N 0.00 0.00 0.00 0.86 3.32 -1.92 -3.48 116.42 115.19 2kwc h ASP 102 Ca 0.00 -0.13 0.00 0.00 0.02 0.00 0.00 57.03 56.92 2kwc h ASP 102 Cb 0.17 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.72 2kwc h ASP 102 CO 0.00 0.07 0.00 0.61 -1.72 0.00 0.00 179.24 178.20 2kwc n GLY 103 N 1.28 2.57 3.00 2.75 0.00 0.82 -4.06 105.19 111.54 2kwc n GLY 103 Ca 0.03 -0.57 -0.16 0.00 0.00 0.00 0.00 46.02 45.31 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 -2.40 -4.29 1.61 3.01 -1.26 -4.09 117.46 110.04 2kwc n PHE 104 Ca 0.00 -0.02 -0.24 0.00 1.01 0.00 0.00 57.45 58.20 2kwc n PHE 104 Cb 0.00 -1.37 -0.08 0.00 -0.01 0.00 0.00 39.48 38.02 2kwc n PHE 104 CO 0.00 0.00 0.00 -0.51 1.01 0.00 0.00 176.76 177.26 2kwc s LEU 105 N 0.33 3.14 -0.29 4.37 2.01 -1.24 -3.16 118.68 123.83 2kwc s LEU 105 Ca 0.34 -0.61 -0.00 0.00 0.01 0.00 0.00 54.13 53.87 2kwc s LEU 105 Cb -0.06 -1.72 0.09 0.00 0.01 0.00 0.00 46.19 44.51 2kwc s LEU 105 CO 0.31 0.04 0.06 -0.72 1.01 0.00 0.00 176.35 177.05 2kwc s TYR 106 N -2.09 1.92 0.22 0.29 1.13 -1.26 -2.18 117.35 115.37 2kwc s TYR 106 Ca 0.29 -1.74 0.09 0.00 -1.41 0.00 0.00 57.07 54.30 2kwc s TYR 106 Cb -0.07 -1.72 -0.05 0.00 -1.10 0.00 0.00 41.96 39.02 2kwc s TYR 106 CO 0.18 -0.83 -0.16 0.54 -2.51 0.00 0.00 175.55 172.77 2kwc s VAL 107 N 1.55 1.93 -0.25 -3.49 0.11 -1.20 -4.38 120.40 114.66 2kwc s VAL 107 Ca 0.06 -2.22 -0.05 0.00 -2.93 0.00 0.00 61.98 56.85 2kwc s VAL 107 Cb -0.18 -2.08 0.13 0.00 -1.53 0.00 0.00 36.38 32.73 2kwc s VAL 107 CO -0.18 -0.51 0.49 -0.89 -3.33 0.00 0.00 175.10 170.68 2kwc s THR 108 N -2.72 -0.77 0.22 5.04 2.01 -0.88 -1.84 115.64 116.69 2kwc s THR 108 Ca 0.23 0.03 0.03 0.00 0.31 0.00 0.00 61.69 62.30 2kwc s THR 108 Cb -0.02 -0.84 0.03 0.00 0.01 0.00 0.00 72.50 71.68 2kwc s THR 108 CO 0.09 -0.02 0.28 0.00 -0.69 0.00 0.00 174.62 174.28 2kwc n TYR 109 N 5.40 -2.48 -3.60 4.92 0.18 -1.26 -1.76 117.16 118.57 2kwc n TYR 109 Ca -0.06 -0.81 -0.04 0.00 1.88 0.00 0.00 57.90 58.88 2kwc n TYR 109 Cb 0.50 -0.20 -0.02 0.00 -0.38 0.00 0.00 39.34 39.24 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 -2.33 -0.13 0.00 9.48 1.04 -0.00 -2.94 113.70 118.81 2kwc s SER 110 Ca 0.21 -0.03 0.25 0.00 0.48 0.00 0.00 55.95 56.86 2kwc s SER 110 Cb -0.02 0.16 1.46 0.00 0.10 0.00 0.00 66.02 67.72 2kwc s SER 110 CO 0.13 -0.27 1.83 0.61 0.98 0.00 0.00 173.24 176.52 2kwc n GLY 111 N -0.18 -0.78 3.37 7.32 0.00 -1.26 -0.29 105.19 113.37 2kwc n GLY 111 Ca -0.02 -0.15 -0.22 0.00 0.00 0.00 0.00 46.02 45.63 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 -2.02 1.37 -1.37 1.61 2.12 -1.25 -4.43 118.70 114.73 2kwc s GLU 112 Ca 0.36 -1.52 -0.08 0.00 0.36 0.00 0.00 54.97 54.10 2kwc s GLU 112 Cb 0.17 -1.40 0.10 0.00 0.26 0.00 0.00 34.13 33.25 2kwc s GLU 112 CO 0.29 0.27 2.31 -1.71 -0.54 0.00 0.00 175.26 175.88 2kwc n ASN 113 N -0.01 7.00 -4.31 -1.70 4.05 -1.26 -4.50 115.26 114.54 2kwc n ASN 113 Ca -0.11 -3.03 -0.17 0.00 0.45 0.00 0.00 54.58 51.73 2kwc n ASN 113 Cb 0.58 -1.45 -0.10 0.00 1.23 0.00 0.00 39.78 40.05 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 0.09 1.47 -2.41 -0.44 -4.23 -1.26 -5.03 115.64 103.83 2kwc s THR 114 Ca 0.52 -2.14 0.22 0.00 -1.18 0.00 0.00 61.69 59.11 2kwc s THR 114 Cb 0.15 -1.98 0.43 0.00 1.34 0.00 0.00 72.50 72.45 2kwc s THR 114 CO -0.06 -0.65 1.50 0.49 -0.54 0.00 0.00 174.62 175.36 2kwc n PHE 115 N -0.31 0.26 0.00 3.99 3.72 -1.26 -4.91 117.46 118.95 2kwc n PHE 115 Ca -0.09 -0.13 0.00 0.00 -0.05 0.00 0.00 57.45 57.18 2kwc n PHE 115 Cb 0.61 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.15 2kwc n PHE 115 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12