#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 1.05 -2.63 0.03 5.02 -1.26 -4.98 118.16 115.39 2kwc n LYS 2 Ca 0.00 -2.09 -0.43 0.00 -2.02 0.00 0.00 58.31 53.77 2kwc n LYS 2 Cb 0.00 0.29 -0.02 0.00 -0.02 0.00 0.00 35.03 35.28 2kwc n LYS 2 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 2kwc s SER 3 N -2.88 6.93 0.49 4.39 0.15 -1.26 -4.89 113.70 116.62 2kwc s SER 3 Ca 0.15 1.09 0.15 0.00 0.70 0.00 0.00 55.95 58.04 2kwc s SER 3 Cb -0.01 -2.54 1.17 0.00 -1.71 0.00 0.00 66.02 62.92 2kwc s SER 3 CO 0.10 -0.88 2.09 0.71 1.20 0.00 0.00 173.24 176.46 2kwc h THR 4 N 5.72 0.97 -0.21 6.45 1.35 -2.00 -0.44 112.91 124.75 2kwc h THR 4 Ca -0.21 -0.06 0.06 0.00 -0.55 0.00 0.00 66.41 65.65 2kwc h THR 4 Cb 1.06 0.78 -0.01 0.00 -1.73 0.00 0.00 68.15 68.26 2kwc h THR 4 CO 1.03 0.03 0.42 -0.26 -0.25 0.00 0.00 175.52 176.49 2kwc h PHE 5 N 0.18 0.00 0.21 4.73 -1.00 -1.90 1.36 116.94 120.52 2kwc h PHE 5 Ca 0.10 0.00 -0.01 0.00 2.81 0.00 0.00 57.97 60.87 2kwc h PHE 5 Cb 0.20 0.00 0.00 0.00 3.61 0.00 0.00 35.95 39.76 2kwc h PHE 5 CO -0.00 0.00 -0.11 -0.22 -1.61 0.00 0.00 178.31 176.37 2kwc h LYS 6 N 0.00 -0.29 0.00 1.51 3.64 -1.25 -2.76 116.57 117.42 2kwc h LYS 6 Ca 0.10 0.02 -0.18 0.00 -1.27 0.00 0.00 60.65 59.32 2kwc h LYS 6 Cb 0.93 0.07 -0.03 0.00 -0.41 0.00 0.00 32.23 32.79 2kwc h LYS 6 CO -0.00 -0.19 -1.05 1.03 -2.27 0.00 0.00 179.45 176.97 2kwc h SER 7 N -0.30 0.00 -1.00 4.20 0.87 -1.58 -3.37 113.55 112.37 2kwc h SER 7 Ca -0.03 -0.44 0.33 0.00 -1.23 0.00 0.00 61.79 60.42 2kwc h SER 7 Cb 0.23 0.00 -0.18 0.00 -0.44 0.00 0.00 62.40 62.01 2kwc h SER 7 CO 0.04 1.33 0.23 -0.08 -0.53 0.00 0.00 176.83 177.82 2kwc h GLU 8 N -1.00 0.00 -6.21 2.24 4.22 0.16 -3.39 114.58 110.60 2kwc h GLU 8 Ca -0.27 -0.00 -0.58 0.00 0.08 0.00 0.00 59.36 58.59 2kwc h GLU 8 Cb 1.14 -0.00 -0.17 0.00 0.50 0.00 0.00 28.75 30.22 2kwc h GLU 8 CO -0.16 0.00 -0.79 0.71 -2.18 0.00 0.00 179.01 176.59 2kwc s TYR 9 N -5.82 2.07 0.93 0.92 2.02 -1.04 -4.97 117.35 111.46 2kwc s TYR 9 Ca -0.11 -0.41 -0.13 0.00 -0.37 0.00 0.00 57.07 56.05 2kwc s TYR 9 Cb 0.31 -1.00 0.15 0.00 -0.40 0.00 0.00 41.96 41.02 2kwc s TYR 9 CO 0.78 0.46 1.15 -1.25 -1.57 0.00 0.00 175.55 175.12 2kwc s PRO 10 N -2.92 1.02 0.01 -1.71 0.04 -1.26 -4.29 135.00 125.89 2kwc s PRO 10 Ca 0.20 0.24 -0.00 0.00 0.04 0.00 0.00 61.00 61.48 2kwc s PRO 10 Cb -0.06 -1.83 -0.26 0.00 0.04 0.00 0.00 34.50 32.39 2kwc s PRO 10 CO 0.09 -2.27 0.88 0.35 0.04 0.00 0.00 177.00 176.09 2kwc h PHE 11 N -1.55 0.36 0.00 0.56 3.04 -1.87 -3.27 116.94 114.20 2kwc h PHE 11 Ca -0.50 -0.26 0.00 0.00 3.98 0.00 0.00 57.97 61.19 2kwc h PHE 11 Cb 1.33 -0.01 0.00 0.00 2.56 0.00 0.00 35.95 39.82 2kwc h PHE 11 CO 0.11 1.31 0.00 0.93 -2.02 0.00 0.00 178.31 178.63 2kwc h GLU 12 N 0.05 0.00 0.35 1.11 5.08 -1.98 -2.98 114.58 116.22 2kwc h GLU 12 Ca -0.22 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.12 2kwc h GLU 12 Cb 1.99 0.00 0.00 0.00 0.50 0.00 0.00 28.75 31.24 2kwc h GLU 12 CO 0.15 0.00 -0.17 -0.22 -1.00 0.00 0.00 179.01 177.77 2kwc h LYS 13 N 0.00 -0.45 -1.00 2.33 1.63 -1.96 0.54 116.57 117.66 2kwc h LYS 13 Ca 0.00 0.03 0.28 0.00 -0.85 0.00 0.00 60.65 60.11 2kwc h LYS 13 Cb 0.30 0.10 -0.05 0.00 -0.60 0.00 0.00 32.23 31.99 2kwc h LYS 13 CO 0.00 -0.30 0.71 0.07 -3.45 0.00 0.00 179.45 176.48 2kwc h ARG 14 N -0.55 0.08 0.00 1.90 0.11 -1.69 1.53 114.38 115.76 2kwc h ARG 14 Ca -0.05 -0.00 -0.18 0.00 0.10 0.00 0.00 59.98 59.85 2kwc h ARG 14 Cb 0.36 -0.02 -0.03 0.00 1.11 0.00 0.00 29.97 31.40 2kwc h ARG 14 CO 0.08 0.05 -0.84 -0.22 0.10 0.00 0.00 179.97 179.14 2kwc h LYS 15 N 0.08 0.00 0.12 0.08 3.64 -1.35 -3.03 116.57 116.11 2kwc h LYS 15 Ca 0.49 0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 59.87 2kwc h LYS 15 Cb 1.82 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.64 2kwc h LYS 15 CO -0.05 0.84 -0.06 0.00 -2.27 0.00 0.00 179.45 177.91 2kwc h ALA 16 N 1.16 -0.21 -0.99 5.00 0.00 0.73 -3.05 119.26 121.90 2kwc h ALA 16 Ca -0.01 -0.03 0.39 0.00 0.00 0.00 0.00 54.91 55.25 2kwc h ALA 16 Cb 1.52 0.06 -0.18 0.00 0.00 0.00 0.00 17.79 19.19 2kwc h ALA 16 CO 0.11 -0.20 0.42 -0.85 0.00 0.00 0.00 179.25 178.74 2kwc n GLU 17 N -4.08 -0.06 0.02 0.00 0.28 0.14 0.16 120.64 117.10 2kwc n GLU 17 Ca -0.02 1.39 -0.11 0.00 -0.16 0.00 0.00 57.16 58.26 2kwc n GLU 17 Cb 0.06 -2.44 -0.06 0.00 1.43 0.00 0.00 31.44 30.44 2kwc n GLU 17 CO 0.00 0.00 0.00 0.66 -0.16 0.00 0.00 177.13 177.63 2kwc h SER 18 N 0.00 0.05 -1.26 -1.84 4.64 -1.61 -1.48 113.55 112.06 2kwc h SER 18 Ca 0.79 0.00 0.37 0.00 -0.47 0.00 0.00 61.79 62.48 2kwc h SER 18 Cb 2.01 -0.01 -0.09 0.00 -0.31 0.00 0.00 62.40 64.00 2kwc h SER 18 CO -0.80 0.04 0.85 -0.33 -0.87 0.00 0.00 176.83 175.72 2kwc h GLU 19 N 0.07 0.15 0.10 4.77 4.39 0.17 1.37 114.58 125.60 2kwc h GLU 19 Ca 0.02 -0.01 -0.27 0.00 0.34 0.00 0.00 59.36 59.45 2kwc h GLU 19 Cb -0.00 -0.03 0.01 0.00 -0.10 0.00 0.00 28.75 28.62 2kwc h GLU 19 CO -0.01 0.10 -1.17 0.00 -1.16 0.00 0.00 179.01 176.77 2kwc h ARG 20 N 0.16 0.35 0.00 2.33 3.08 -1.00 -2.85 114.38 116.45 2kwc h ARG 20 Ca 0.69 -0.51 0.00 0.00 0.07 0.00 0.00 59.98 60.23 2kwc h ARG 20 Cb 2.25 0.18 0.00 0.00 0.08 0.00 0.00 29.97 32.48 2kwc h ARG 20 CO -0.23 1.21 0.00 0.82 -1.07 0.00 0.00 179.97 180.70 2kwc h ILE 21 N 0.14 0.00 0.13 2.04 2.04 0.24 -1.55 117.51 120.56 2kwc h ILE 21 Ca -0.13 -0.55 -0.28 0.00 1.00 0.00 0.00 64.86 64.90 2kwc h ILE 21 Cb 1.86 1.54 0.01 0.00 -0.74 0.00 0.00 36.82 39.48 2kwc h ILE 21 CO 0.20 0.00 -1.29 0.00 0.00 0.00 0.00 178.15 177.06 2kwc h ALA 22 N 2.01 0.10 -0.21 1.87 0.00 -0.05 0.46 119.26 123.44 2kwc h ALA 22 Ca 0.00 -0.91 -0.12 0.00 0.00 0.00 0.00 54.91 53.88 2kwc h ALA 22 Cb 0.55 0.05 -0.00 0.00 0.00 0.00 0.00 17.79 18.39 2kwc h ALA 22 CO 0.00 0.98 -0.34 0.22 0.00 0.00 0.00 179.25 180.10 2kwc h ASP 23 N 0.08 0.66 0.05 0.00 1.82 -1.22 -1.59 116.42 116.22 2kwc h ASP 23 Ca -0.15 -0.53 -0.00 0.00 -0.39 0.00 0.00 57.03 55.95 2kwc h ASP 23 Cb 1.99 -0.19 0.00 0.00 0.68 0.00 0.00 39.33 41.81 2kwc h ASP 23 CO 0.20 1.06 -0.02 -0.09 -1.61 0.00 0.00 179.24 178.78 2kwc h ARG 24 N 0.27 -0.07 -3.02 0.28 9.65 -1.38 -3.40 114.38 116.71 2kwc h ARG 24 Ca 0.02 0.00 -0.63 0.00 -1.10 0.00 0.00 59.98 58.27 2kwc h ARG 24 Cb 0.93 0.02 -0.41 0.00 -1.39 0.00 0.00 29.97 29.12 2kwc h ARG 24 CO 0.08 0.39 -0.49 1.19 2.80 0.00 0.00 179.97 183.94 2kwc n PHE 25 N -4.77 3.45 1.50 2.20 3.01 0.16 -4.87 117.46 118.14 2kwc n PHE 25 Ca -0.06 -4.26 0.12 0.00 1.01 0.00 0.00 57.45 54.26 2kwc n PHE 25 Cb 0.24 -0.70 0.70 0.00 -0.01 0.00 0.00 39.48 39.70 2kwc n PHE 25 CO 0.00 0.00 0.00 -0.35 1.01 0.00 0.00 176.76 177.42 2kwc n PRO 26 N 1.88 0.75 -2.46 -1.08 -0.04 -0.60 -2.94 135.00 130.51 2kwc n PRO 26 Ca 0.21 0.00 -0.20 0.00 -0.04 0.00 0.00 63.50 63.48 2kwc n PRO 26 Cb 0.36 -1.49 0.02 0.00 -0.04 0.00 0.00 33.50 32.35 2kwc n PRO 26 CO 0.00 0.00 0.00 -1.71 -0.04 0.00 0.00 175.50 173.75 2kwc n ASN 27 N -0.99 3.70 -4.07 3.54 2.85 -1.26 -5.05 115.26 113.99 2kwc n ASN 27 Ca 0.18 -3.33 -0.22 0.00 -0.11 0.00 0.00 54.58 51.10 2kwc n ASN 27 Cb 0.08 -0.45 -0.09 0.00 1.24 0.00 0.00 39.78 40.56 2kwc n ASN 27 CO 0.00 0.00 0.00 -0.13 -2.11 0.00 0.00 177.26 175.02 2kwc s ARG 28 N -3.49 1.77 -0.35 1.20 1.81 -1.15 -3.73 118.95 115.01 2kwc s ARG 28 Ca 0.42 -2.05 0.01 0.00 -1.72 0.00 0.00 55.73 52.39 2kwc s ARG 28 Cb 0.41 -0.41 0.14 0.00 -0.45 0.00 0.00 34.95 34.64 2kwc s ARG 28 CO -0.07 -0.45 0.25 0.42 -0.68 0.00 0.00 175.30 174.77 2kwc s ILE 29 N -3.37 -0.00 -0.97 1.52 1.01 0.49 -4.78 121.20 115.10 2kwc s ILE 29 Ca 0.30 -1.47 -0.24 0.00 0.00 0.00 0.00 60.65 59.25 2kwc s ILE 29 Cb 0.04 -0.99 0.00 0.00 0.01 0.00 0.00 42.46 41.52 2kwc s ILE 29 CO 0.16 -0.87 1.69 -2.16 0.00 0.00 0.00 174.94 173.77 2kwc s PRO 30 N 1.22 3.09 0.14 2.79 0.04 -1.25 -2.54 135.00 138.49 2kwc s PRO 30 Ca 0.17 -0.74 -0.23 0.00 0.04 0.00 0.00 61.00 60.24 2kwc s PRO 30 Cb -0.21 -5.22 -0.08 0.00 0.04 0.00 0.00 34.50 29.04 2kwc s PRO 30 CO -0.02 -2.78 0.71 0.08 0.04 0.00 0.00 177.00 175.02 2kwc s VAL 31 N 7.46 4.49 -0.57 -0.36 1.01 0.14 -3.78 120.40 128.79 2kwc s VAL 31 Ca 0.58 1.54 -0.01 0.00 0.00 0.00 0.00 61.98 64.09 2kwc s VAL 31 Cb -0.03 -4.06 0.15 0.00 0.00 0.00 0.00 36.38 32.44 2kwc s VAL 31 CO -0.05 0.53 0.36 -0.63 0.00 0.00 0.00 175.10 175.30 2kwc s ILE 32 N -1.15 3.38 0.28 2.22 -1.09 -0.94 -1.72 121.20 122.17 2kwc s ILE 32 Ca 0.34 -2.90 -0.01 0.00 -2.23 0.00 0.00 60.65 55.85 2kwc s ILE 32 Cb -0.22 -3.25 -0.04 0.00 -1.58 0.00 0.00 42.46 37.38 2kwc s ILE 32 CO 0.24 -0.83 0.49 0.00 -1.23 0.00 0.00 174.94 173.61 2kwc s GLU 34 N -3.82 -0.01 0.37 0.00 2.02 -0.40 -4.76 118.70 112.10 2kwc s GLU 34 Ca 0.40 0.44 -0.25 0.00 0.02 0.00 0.00 54.97 55.58 2kwc s GLU 34 Cb -0.10 -0.49 -0.13 0.00 0.10 0.00 0.00 34.13 33.51 2kwc s GLU 34 CO 0.32 -0.35 0.78 1.17 0.02 0.00 0.00 175.26 177.20 2kwc n LYS 35 N 5.31 0.91 -2.52 1.61 0.00 -1.26 -4.13 118.16 118.08 2kwc n LYS 35 Ca -0.04 0.32 -0.42 0.00 0.00 0.00 0.00 58.31 58.17 2kwc n LYS 35 Cb 0.50 -1.68 -0.03 0.00 0.00 0.00 0.00 35.03 33.82 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 -1.28 3.40 0.38 3.14 0.00 -0.93 -4.91 121.76 121.56 2kwc s ALA 36 Ca 0.62 0.65 0.20 0.00 0.00 0.00 0.00 51.96 53.43 2kwc s ALA 36 Cb -0.64 -3.46 1.07 0.00 0.00 0.00 0.00 23.12 20.09 2kwc s ALA 36 CO 0.58 -0.56 1.95 1.05 0.00 0.00 0.00 175.76 178.78 2kwc h GLU 37 N 7.11 0.00 -0.00 0.00 4.11 -1.91 -1.71 114.58 122.17 2kwc h GLU 37 Ca -0.37 0.00 -0.14 0.00 0.07 0.00 0.00 59.36 58.91 2kwc h GLU 37 Cb 1.19 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.42 2kwc h GLU 37 CO 0.83 0.23 -0.68 0.87 0.07 0.00 0.00 179.01 180.33 2kwc h LYS 38 N 0.00 0.01 -6.66 1.06 1.57 -1.98 -3.45 116.57 107.12 2kwc h LYS 38 Ca -0.00 -0.01 -0.37 0.00 -1.87 0.00 0.00 60.65 58.40 2kwc h LYS 38 Cb 0.49 0.00 0.20 0.00 0.08 0.00 0.00 32.23 33.00 2kwc h LYS 38 CO 0.03 0.69 -0.44 0.45 -0.57 0.00 0.00 179.45 179.61 2kwc n SER 39 N -3.73 -2.91 -0.05 0.86 2.88 -0.64 -4.95 113.62 105.08 2kwc n SER 39 Ca -0.01 -0.40 0.06 0.00 -1.33 0.00 0.00 58.87 57.18 2kwc n SER 39 Cb 0.67 -0.98 0.08 0.00 -0.75 0.00 0.00 64.21 63.23 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 -3.30 2.10 -4.90 -3.46 9.92 -1.26 -5.02 116.55 110.63 2kwc n ASP 40 Ca 0.05 -2.58 -0.29 0.00 -0.53 0.00 0.00 54.79 51.44 2kwc n ASP 40 Cb 0.53 -0.24 -0.03 0.00 -0.64 0.00 0.00 41.12 40.74 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 -1.99 4.93 0.28 0.53 -4.36 -1.26 -5.04 121.20 114.28 2kwc s ILE 41 Ca 0.18 0.26 -0.29 0.00 -0.26 0.00 0.00 60.65 60.53 2kwc s ILE 41 Cb 0.15 -3.75 -0.09 0.00 1.25 0.00 0.00 42.46 40.02 2kwc s ILE 41 CO 0.02 -0.46 1.08 -2.16 0.24 0.00 0.00 174.94 173.66 2kwc s PRO 42 N -3.81 4.64 0.92 0.37 0.04 -1.26 -5.01 135.00 130.89 2kwc s PRO 42 Ca 0.47 1.76 -0.10 0.00 0.04 0.00 0.00 61.00 63.16 2kwc s PRO 42 Cb -0.10 -3.17 0.15 0.00 0.04 0.00 0.00 34.50 31.42 2kwc s PRO 42 CO 0.32 0.23 1.14 -2.00 0.04 0.00 0.00 177.00 176.73 2kwc s GLU 43 N -1.46 0.95 0.26 4.56 2.12 -1.26 -4.92 118.70 118.94 2kwc s GLU 43 Ca 0.45 1.51 0.03 0.00 0.36 0.00 0.00 54.97 57.32 2kwc s GLU 43 Cb -0.31 -1.72 0.05 0.00 0.26 0.00 0.00 34.13 32.40 2kwc s GLU 43 CO 0.39 -2.67 0.36 0.44 -0.54 0.00 0.00 175.26 173.24 2kwc n ILE 44 N -4.26 0.00 -0.02 -3.70 -5.35 -1.26 -4.96 119.36 99.81 2kwc n ILE 44 Ca 0.11 -0.79 -0.09 0.00 -0.27 0.00 0.00 62.75 61.72 2kwc n ILE 44 Cb 0.52 -0.88 -0.08 0.00 -1.74 0.00 0.00 39.64 37.47 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 -0.02 -0.06 -3.39 7.28 5.19 -1.96 -3.49 116.42 119.97 2kwc h ASP 45 Ca -0.12 -0.50 -0.20 0.00 -0.62 0.00 0.00 57.03 55.59 2kwc h ASP 45 Cb 0.53 0.02 -0.05 0.00 0.18 0.00 0.00 39.33 40.01 2kwc h ASP 45 CO 0.16 0.64 -0.08 2.29 -3.12 0.00 0.00 179.24 179.13 2kwc n LYS 46 N -4.77 0.59 -4.01 3.56 -0.00 -1.26 -5.13 118.16 107.14 2kwc n LYS 46 Ca -0.06 -2.15 -0.32 0.00 -0.00 0.00 0.00 58.31 55.77 2kwc n LYS 46 Cb 0.27 2.13 -0.15 0.00 -0.00 0.00 0.00 35.03 37.28 2kwc n LYS 46 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.40 178.43 2kwc s ARG 47 N -2.57 1.65 -0.29 -1.58 3.00 -1.26 -5.04 118.95 112.85 2kwc s ARG 47 Ca 0.22 -1.79 -0.06 0.00 0.00 0.00 0.00 55.73 54.11 2kwc s ARG 47 Cb -0.01 -3.19 0.15 0.00 0.00 0.00 0.00 34.95 31.91 2kwc s ARG 47 CO 0.16 -0.89 0.60 0.21 0.00 0.00 0.00 175.30 175.38 2kwc s LYS 48 N 0.95 0.55 -0.40 3.54 2.20 -1.26 -4.85 119.74 120.47 2kwc s LYS 48 Ca 0.08 1.19 0.02 0.00 -0.36 0.00 0.00 55.97 56.89 2kwc s LYS 48 Cb -0.19 0.63 0.12 0.00 -1.51 0.00 0.00 37.83 36.88 2kwc s LYS 48 CO -0.07 -0.40 0.18 0.71 -0.36 0.00 0.00 175.35 175.41 2kwc s TYR 49 N 2.84 2.14 -0.76 4.03 2.02 -0.70 -5.01 117.35 121.91 2kwc s TYR 49 Ca 0.07 -2.33 -0.15 0.00 -0.37 0.00 0.00 57.07 54.28 2kwc s TYR 49 Cb -0.13 -1.99 0.18 0.00 -0.40 0.00 0.00 41.96 39.61 2kwc s TYR 49 CO -0.19 -0.82 0.75 -0.51 -1.57 0.00 0.00 175.55 173.20 2kwc s LEU 50 N 0.73 6.35 0.17 -1.29 1.43 -1.26 0.25 118.68 125.06 2kwc s LEU 50 Ca 0.15 -2.34 0.07 0.00 -1.03 0.00 0.00 54.13 50.98 2kwc s LEU 50 Cb -0.22 -2.24 -0.04 0.00 0.03 0.00 0.00 46.19 43.72 2kwc s LEU 50 CO -0.08 -0.73 -0.02 0.68 0.23 0.00 0.00 176.35 176.44 2kwc s VAL 51 N 0.92 3.64 0.98 -1.59 -7.23 -1.05 -4.86 120.40 111.21 2kwc s VAL 51 Ca 0.16 -1.44 -0.14 0.00 -1.81 0.00 0.00 61.98 58.74 2kwc s VAL 51 Cb -0.15 -2.82 0.18 0.00 0.56 0.00 0.00 36.38 34.15 2kwc s VAL 51 CO -0.05 -0.10 1.17 -2.16 -0.31 0.00 0.00 175.10 173.65 2kwc s PRO 52 N -2.89 0.58 -0.11 4.82 0.04 -1.26 0.19 135.00 136.37 2kwc s PRO 52 Ca 0.27 0.08 0.07 0.00 0.04 0.00 0.00 61.00 61.46 2kwc s PRO 52 Cb -0.09 -1.79 0.40 0.00 0.04 0.00 0.00 34.50 33.06 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 3.13 -0.03 8.56 0.00 -1.24 -3.20 120.51 123.77 2kwc n ALA 53 Ca 0.10 -0.93 0.00 0.00 0.00 0.00 0.00 53.44 52.61 2kwc n ALA 53 Cb 0.59 -1.06 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 0.34 0.74 -4.90 0.00 9.92 -1.26 -4.62 116.55 116.77 2kwc n ASP 54 Ca 0.14 -0.88 -0.28 0.00 -0.53 0.00 0.00 54.79 53.23 2kwc n ASP 54 Cb 0.69 0.22 -0.02 0.00 -0.64 0.00 0.00 41.12 41.36 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 -0.43 3.86 0.31 0.64 0.20 -1.19 -5.02 118.68 117.05 2kwc s LEU 55 Ca 0.00 0.88 0.09 0.00 0.69 0.00 0.00 54.13 55.79 2kwc s LEU 55 Cb 0.00 -3.76 -0.04 0.00 -0.43 0.00 0.00 46.19 41.96 2kwc s LEU 55 CO 0.00 -0.38 0.09 0.42 -0.29 0.00 0.00 176.35 176.19 2kwc s THR 56 N -2.38 3.30 0.22 3.68 -4.23 -1.26 -2.45 115.64 112.52 2kwc s THR 56 Ca 0.47 -1.76 -0.09 0.00 -1.18 0.00 0.00 61.69 59.14 2kwc s THR 56 Cb -0.10 -2.96 0.19 0.00 1.34 0.00 0.00 72.50 70.97 2kwc s THR 56 CO 0.35 -0.27 1.69 0.58 -0.54 0.00 0.00 174.62 176.43 2kwc h VAL 57 N 1.67 0.58 -0.65 2.29 2.07 -1.27 -2.19 116.25 118.75 2kwc h VAL 57 Ca -0.44 -0.08 0.06 0.00 0.82 0.00 0.00 66.70 67.05 2kwc h VAL 57 Cb 1.25 0.32 -0.08 0.00 -1.52 0.00 0.00 31.29 31.26 2kwc h VAL 57 CO 0.62 0.04 -0.38 0.61 0.02 0.00 0.00 177.57 178.48 2kwc n GLY 58 N -1.34 -2.64 0.33 2.17 0.00 -0.92 -0.02 105.19 102.78 2kwc n GLY 58 Ca 0.11 0.95 -0.01 0.00 0.00 0.00 0.00 46.02 47.06 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 -0.06 -0.48 1.61 1.08 -1.68 -0.73 115.11 114.86 2kwc h GLN 59 Ca 0.10 0.00 0.05 0.00 -1.45 0.00 0.00 58.65 57.36 2kwc h GLN 59 Cb 0.27 0.01 -0.08 0.00 -0.05 0.00 0.00 27.48 27.63 2kwc h GLN 59 CO -0.61 -0.04 -0.51 0.35 -0.95 0.00 0.00 178.83 177.07 2kwc h PHE 60 N -0.06 -1.58 -1.62 2.96 3.57 -0.36 0.89 116.94 120.74 2kwc h PHE 60 Ca 0.32 0.08 0.51 0.00 3.53 0.00 0.00 57.97 62.42 2kwc h PHE 60 Cb 0.58 0.75 -0.11 0.00 2.79 0.00 0.00 35.95 39.96 2kwc h PHE 60 CO -0.68 -0.42 1.11 0.28 -2.23 0.00 0.00 178.31 176.36 2kwc h VAL 61 N -0.29 0.03 0.16 1.41 2.07 -0.37 1.44 116.25 120.70 2kwc h VAL 61 Ca 0.08 -0.00 -0.26 0.00 0.82 0.00 0.00 66.70 67.34 2kwc h VAL 61 Cb 0.51 0.02 0.02 0.00 -1.52 0.00 0.00 31.29 30.31 2kwc h VAL 61 CO -0.60 0.00 -1.23 0.22 0.02 0.00 0.00 177.57 175.98 2kwc h TYR 62 N 0.01 0.62 -0.79 1.57 3.20 0.78 -3.04 116.97 119.33 2kwc h TYR 62 Ca 0.89 -0.45 0.18 0.00 3.14 0.00 0.00 58.73 62.49 2kwc h TYR 62 Cb 3.19 -0.02 -0.12 0.00 1.54 0.00 0.00 36.73 41.32 2kwc h TYR 62 CO -0.00 1.47 0.23 0.28 -1.64 0.00 0.00 178.16 178.50 2kwc h VAL 63 N -0.21 0.49 0.18 1.81 2.07 0.62 0.23 116.25 121.45 2kwc h VAL 63 Ca -0.24 -0.10 -0.01 0.00 0.82 0.00 0.00 66.70 67.17 2kwc h VAL 63 Cb 1.83 0.17 0.00 0.00 -1.52 0.00 0.00 31.29 31.76 2kwc h VAL 63 CO 0.15 0.05 -0.09 0.40 0.02 0.00 0.00 177.57 178.11 2kwc h ILE 64 N 0.30 0.92 -0.66 4.57 5.03 -1.23 -2.24 117.51 124.20 2kwc h ILE 64 Ca 0.46 -0.53 0.19 0.00 -0.12 0.00 0.00 64.86 64.86 2kwc h ILE 64 Cb 0.81 1.24 -0.03 0.00 -3.03 0.00 0.00 36.82 35.81 2kwc h ILE 64 CO -0.53 0.12 0.82 -0.09 -0.68 0.00 0.00 178.15 177.80 2kwc h ARG 65 N -0.50 0.00 0.12 2.37 1.12 -0.89 1.18 114.38 117.77 2kwc h ARG 65 Ca -0.02 0.00 -0.19 0.00 -1.11 0.00 0.00 59.98 58.66 2kwc h ARG 65 Cb 0.38 0.00 0.02 0.00 -0.01 0.00 0.00 29.97 30.36 2kwc h ARG 65 CO 0.04 0.00 -0.81 0.87 -3.11 0.00 0.00 179.97 176.96 2kwc h LYS 66 N 0.00 0.34 -0.15 0.20 1.79 -0.57 1.46 116.57 119.64 2kwc h LYS 66 Ca 0.31 -0.52 0.04 0.00 -2.18 0.00 0.00 60.65 58.30 2kwc h LYS 66 Cb 1.95 0.19 -0.01 0.00 -1.58 0.00 0.00 32.23 32.78 2kwc h LYS 66 CO -0.00 1.23 0.11 0.00 -1.08 0.00 0.00 179.45 179.71 2kwc h ARG 67 N -0.27 0.00 -0.00 3.15 2.47 0.18 -0.61 114.38 119.29 2kwc h ARG 67 Ca -0.13 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.59 2kwc h ARG 67 Cb 1.60 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 29.92 2kwc h ARG 67 CO 0.15 0.00 -0.60 0.44 0.56 0.00 0.00 179.97 180.53 2kwc n ILE 68 N -4.46 0.00 -4.29 2.04 -5.35 -0.49 -4.66 119.36 102.15 2kwc n ILE 68 Ca 0.01 -0.20 -0.31 0.00 -0.27 0.00 0.00 62.75 61.97 2kwc n ILE 68 Cb 0.24 1.01 -0.09 0.00 -1.74 0.00 0.00 39.64 39.07 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 -1.22 -1.21 -0.94 6.28 0.00 0.49 -4.88 117.12 115.63 2kwc n MET 69 Ca 0.03 0.13 -0.30 0.00 0.00 0.00 0.00 57.70 57.56 2kwc n MET 69 Cb 0.21 -3.77 0.17 0.00 0.00 0.00 0.00 33.22 29.83 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 -7.33 2.17 0.86 3.17 1.02 -0.74 -5.01 118.68 112.82 2kwc s LEU 70 Ca 0.06 1.70 -0.12 0.00 0.02 0.00 0.00 54.13 55.78 2kwc s LEU 70 Cb -0.03 -4.02 0.11 0.00 0.02 0.00 0.00 46.19 42.26 2kwc s LEU 70 CO 0.99 -3.04 1.12 -2.16 0.02 0.00 0.00 176.35 173.28 2kwc s PRO 71 N -4.76 1.56 0.00 1.29 0.04 -1.26 -4.92 135.00 126.94 2kwc s PRO 71 Ca 0.65 0.44 0.23 0.00 0.04 0.00 0.00 61.00 62.36 2kwc s PRO 71 Cb -0.21 -1.87 1.36 0.00 0.04 0.00 0.00 34.50 33.82 2kwc s PRO 71 CO 0.59 -1.94 1.74 -0.35 0.04 0.00 0.00 177.00 177.08 2kwc n PRO 72 N -3.62 0.75 -0.07 0.56 -0.04 -1.26 -2.78 135.00 128.54 2kwc n PRO 72 Ca 0.07 0.00 -0.19 0.00 -0.04 0.00 0.00 63.50 63.34 2kwc n PRO 72 Cb 0.58 -1.47 -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 -0.85 -0.04 0.00 0.00 175.50 174.61 2kwc n GLU 73 N -0.97 0.70 -0.52 0.54 0.28 -1.26 -4.96 120.64 114.44 2kwc n GLU 73 Ca 0.17 0.20 -0.30 0.00 -0.16 0.00 0.00 57.16 57.07 2kwc n GLU 73 Cb 0.08 -1.61 0.27 0.00 1.43 0.00 0.00 31.44 31.61 2kwc n GLU 73 CO 0.00 0.00 0.00 0.15 -0.16 0.00 0.00 177.13 177.12 2kwc s LYS 74 N -2.54 -2.19 -0.29 3.44 1.02 -1.12 -5.05 119.74 113.01 2kwc s LYS 74 Ca -0.28 0.28 0.01 0.00 0.02 0.00 0.00 55.97 56.00 2kwc s LYS 74 Cb 0.08 -1.45 0.18 0.00 -0.52 0.00 0.00 37.83 36.12 2kwc s LYS 74 CO 0.69 -4.42 0.54 0.00 -0.92 0.00 0.00 175.35 171.23 2kwc s ALA 75 N -2.43 -1.98 0.05 5.17 0.00 -1.26 -4.94 121.76 116.38 2kwc s ALA 75 Ca 0.69 1.31 0.01 0.00 0.00 0.00 0.00 51.96 53.97 2kwc s ALA 75 Cb -0.16 -2.17 -0.04 0.00 0.00 0.00 0.00 23.12 20.76 2kwc s ALA 75 CO 0.59 -1.49 0.14 -1.50 0.00 0.00 0.00 175.76 173.51 2kwc s ILE 76 N 2.76 4.99 0.08 0.00 2.07 -1.26 -3.88 121.20 125.96 2kwc s ILE 76 Ca 0.16 -0.51 0.05 0.00 -1.41 0.00 0.00 60.65 58.94 2kwc s ILE 76 Cb -0.14 -3.40 -0.03 0.00 0.13 0.00 0.00 42.46 39.03 2kwc s ILE 76 CO -0.22 0.18 -0.13 -0.36 -1.91 0.00 0.00 174.94 172.50 2kwc s PHE 77 N -1.40 1.14 -0.08 3.50 0.40 0.02 -4.95 117.98 116.60 2kwc s PHE 77 Ca 0.30 -0.50 -0.01 0.00 -0.60 0.00 0.00 56.93 56.12 2kwc s PHE 77 Cb -0.13 -0.64 -0.03 0.00 0.51 0.00 0.00 43.02 42.73 2kwc s PHE 77 CO 0.23 0.04 -0.02 0.42 0.70 0.00 0.00 175.22 176.59 2kwc s ILE 78 N -1.53 4.16 -0.07 0.64 -1.09 -1.26 -1.51 121.20 120.54 2kwc s ILE 78 Ca -0.01 -0.30 0.00 0.00 -2.23 0.00 0.00 60.65 58.11 2kwc s ILE 78 Cb -0.09 -2.74 0.02 0.00 -1.58 0.00 0.00 42.46 38.08 2kwc s ILE 78 CO 0.02 0.60 -0.06 -0.36 -1.23 0.00 0.00 174.94 173.91 2kwc s PHE 79 N -0.84 1.09 -0.15 3.97 0.40 0.48 -4.65 117.98 118.28 2kwc s PHE 79 Ca 0.13 -0.42 -0.05 0.00 -0.60 0.00 0.00 56.93 55.98 2kwc s PHE 79 Cb -0.11 -0.94 -0.03 0.00 0.51 0.00 0.00 43.02 42.44 2kwc s PHE 79 CO 0.02 -0.33 0.01 0.54 0.70 0.00 0.00 175.22 176.16 2kwc s VAL 80 N 1.32 4.37 -1.08 -0.44 0.11 -0.50 -1.92 120.40 122.26 2kwc s VAL 80 Ca -0.04 -0.19 -0.20 0.00 -2.93 0.00 0.00 61.98 58.62 2kwc s VAL 80 Cb -0.14 -2.93 0.01 0.00 -1.53 0.00 0.00 36.38 31.80 2kwc s VAL 80 CO -0.03 0.50 0.72 0.59 -3.33 0.00 0.00 175.10 173.55 2kwc n ASN 81 N 3.25 -5.02 -4.33 3.54 5.03 -1.26 0.07 115.26 116.54 2kwc n ASN 81 Ca -0.17 -1.04 -0.35 0.00 0.87 0.00 0.00 54.58 53.88 2kwc n ASN 81 Cb 0.53 -2.61 -0.07 0.00 -1.02 0.00 0.00 39.78 36.61 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 -0.92 -1.80 6.41 10.43 -1.26 -4.88 116.55 122.11 2kwc n ASP 82 Ca -0.13 -1.18 -0.06 0.00 2.57 0.00 0.00 54.79 55.98 2kwc n ASP 82 Cb 0.59 -2.00 -0.02 0.00 1.84 0.00 0.00 41.12 41.53 2kwc n ASP 82 CO 0.00 0.00 0.00 1.07 -1.07 0.00 0.00 177.20 177.20 2kwc n THR 83 N -4.35 0.00 -3.37 -3.53 5.66 0.11 -5.10 114.28 103.70 2kwc n THR 83 Ca -0.10 -0.79 -0.16 0.00 -3.05 0.00 0.00 64.05 59.95 2kwc n THR 83 Cb 0.58 0.44 -0.08 0.00 -1.55 0.00 0.00 70.33 69.71 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 -0.30 0.97 1.09 2.96 -1.26 -1.41 118.68 120.72 2kwc s LEU 84 Ca 0.13 -0.89 -0.14 0.00 -0.22 0.00 0.00 54.13 53.01 2kwc s LEU 84 Cb 0.00 0.63 0.17 0.00 0.50 0.00 0.00 46.19 47.50 2kwc s LEU 84 CO 0.09 -0.35 1.16 -2.16 -1.32 0.00 0.00 176.35 173.77 2kwc s PRO 85 N 2.17 0.68 0.77 0.98 0.04 -1.26 -5.01 135.00 133.36 2kwc s PRO 85 Ca 0.11 0.12 -0.11 0.00 0.04 0.00 0.00 61.00 61.16 2kwc s PRO 85 Cb -0.14 -1.80 0.05 0.00 0.04 0.00 0.00 34.50 32.65 2kwc s PRO 85 CO -0.25 -2.47 1.09 -1.25 0.04 0.00 0.00 177.00 174.15 2kwc s PRO 86 N -5.40 2.32 0.00 0.56 0.04 -1.26 -4.94 135.00 126.31 2kwc s PRO 86 Ca 0.67 0.73 0.30 0.00 0.04 0.00 0.00 61.00 62.73 2kwc s PRO 86 Cb -0.12 -1.94 1.49 0.00 0.04 0.00 0.00 34.50 33.97 2kwc s PRO 86 CO 0.54 -1.48 2.03 -2.37 0.04 0.00 0.00 177.00 175.76 2kwc n THR 87 N -3.35 0.02 -0.06 1.26 5.66 -1.26 -2.96 114.28 113.59 2kwc n THR 87 Ca 0.07 0.00 -0.11 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 68.68 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 -1.30 1.45 -1.43 1.79 0.00 -1.26 -2.17 120.51 117.59 2kwc n ALA 88 Ca 0.14 -1.00 -0.48 0.00 0.00 0.00 0.00 53.44 52.10 2kwc n ALA 88 Cb 0.24 -0.52 -0.03 0.00 0.00 0.00 0.00 19.45 19.14 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 -2.71 -2.49 -2.61 0.00 0.00 -1.16 -4.61 120.51 106.94 2kwc n ALA 89 Ca -0.26 0.44 -0.39 0.00 0.00 0.00 0.00 53.44 53.23 2kwc n ALA 89 Cb 1.09 -1.67 -0.06 0.00 0.00 0.00 0.00 19.45 18.81 2kwc n ALA 89 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.50 176.33 2kwc s LEU 90 N 2.57 4.35 0.37 0.00 2.96 -1.26 -1.35 118.68 126.32 2kwc s LEU 90 Ca 0.64 1.05 0.26 0.00 -0.22 0.00 0.00 54.13 55.86 2kwc s LEU 90 Cb -0.90 -2.88 1.35 0.00 0.50 0.00 0.00 46.19 44.26 2kwc s LEU 90 CO 0.57 0.03 1.79 0.24 -1.32 0.00 0.00 176.35 177.65 2kwc h MET 91 N 6.20 0.00 0.18 1.98 2.86 -1.79 0.21 114.93 124.58 2kwc h MET 91 Ca -0.43 0.00 -0.35 0.00 -2.06 0.00 0.00 59.70 56.86 2kwc h MET 91 Cb 1.19 0.00 0.01 0.00 0.06 0.00 0.00 31.60 32.86 2kwc h MET 91 CO 0.72 0.00 -1.75 0.66 1.06 0.00 0.00 176.91 177.61 2kwc h SER 92 N 0.00 0.61 0.27 1.22 4.64 -1.81 -2.37 113.55 116.12 2kwc h SER 92 Ca 0.00 -0.92 -0.21 0.00 -0.47 0.00 0.00 61.79 60.20 2kwc h SER 92 Cb 0.06 -0.20 0.00 0.00 -0.31 0.00 0.00 62.40 61.95 2kwc h SER 92 CO 0.00 1.77 -0.85 0.00 -0.87 0.00 0.00 176.83 176.88 2kwc h ALA 93 N 0.13 0.45 0.49 5.18 0.00 -1.57 -1.64 119.26 122.31 2kwc h ALA 93 Ca -0.34 -0.66 -0.02 0.00 0.00 0.00 0.00 54.91 53.88 2kwc h ALA 93 Cb 2.10 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.86 2kwc h ALA 93 CO 0.18 0.79 -0.24 0.82 0.00 0.00 0.00 179.25 180.80 2kwc h ILE 94 N 0.27 0.00 -0.15 0.00 1.08 -0.77 -2.88 117.51 115.07 2kwc h ILE 94 Ca -0.06 -0.38 0.04 0.00 -0.39 0.00 0.00 64.86 64.08 2kwc h ILE 94 Cb 1.46 0.00 -0.01 0.00 -3.07 0.00 0.00 36.82 35.21 2kwc h ILE 94 CO 0.15 0.00 0.24 0.22 -0.69 0.00 0.00 178.15 178.06 2kwc h TYR 95 N -1.04 0.00 -0.53 1.37 5.03 -1.53 1.47 116.97 121.73 2kwc h TYR 95 Ca -0.07 0.00 -0.08 0.00 2.58 0.00 0.00 58.73 61.16 2kwc h TYR 95 Cb 0.51 0.00 -0.02 0.00 1.55 0.00 0.00 36.73 38.77 2kwc h TYR 95 CO 0.02 0.00 0.01 1.96 -1.32 0.00 0.00 178.16 178.83 2kwc h GLN 96 N 0.00 0.93 -0.01 1.82 4.20 -1.18 1.44 115.11 122.30 2kwc h GLN 96 Ca 0.07 -0.29 0.00 0.00 0.06 0.00 0.00 58.65 58.49 2kwc h GLN 96 Cb 0.54 -0.09 0.00 0.00 0.30 0.00 0.00 27.48 28.24 2kwc h GLN 96 CO -0.00 0.94 -0.34 0.39 -0.67 0.00 0.00 178.83 179.16 2kwc n GLU 97 N -4.29 1.54 -0.00 1.46 -0.58 0.13 -4.18 120.64 114.72 2kwc n GLU 97 Ca 0.02 -0.99 0.06 0.00 -0.42 0.00 0.00 57.16 55.82 2kwc n GLU 97 Cb 0.32 -1.36 -0.08 0.00 -0.57 0.00 0.00 31.44 29.76 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 0.08 0.00 -1.51 -0.32 8.25 0.48 -5.01 115.22 117.19 2kwc n HIS 98 Ca 0.08 0.00 -0.43 0.00 -0.26 0.00 0.00 57.72 57.11 2kwc n HIS 98 Cb 0.40 -0.05 -0.00 0.00 1.12 0.00 0.00 29.99 31.46 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 -1.41 0.86 -2.69 -0.41 0.00 0.49 -4.69 118.16 110.30 2kwc n LYS 99 Ca 0.02 0.31 -0.23 0.00 0.00 0.00 0.00 58.31 58.40 2kwc n LYS 99 Cb 0.22 -1.65 0.11 0.00 0.00 0.00 0.00 35.03 33.71 2kwc n LYS 99 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.40 177.74 2kwc s ASP 100 N -0.82 4.31 0.28 3.14 2.15 -1.01 -4.97 116.67 119.75 2kwc s ASP 100 Ca 0.62 -0.58 0.13 0.00 0.43 0.00 0.00 52.55 53.15 2kwc s ASP 100 Cb -0.65 0.29 0.32 0.00 -0.30 0.00 0.00 42.92 42.59 2kwc s ASP 100 CO 0.58 -1.91 1.57 0.11 -0.17 0.00 0.00 175.17 175.35 2kwc h LYS 101 N -0.49 0.00 0.00 4.34 1.57 -1.93 -2.91 116.57 117.15 2kwc h LYS 101 Ca -0.33 0.00 -0.16 0.00 -1.87 0.00 0.00 60.65 58.29 2kwc h LYS 101 Cb 1.26 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 33.55 2kwc h LYS 101 CO 0.37 0.59 -0.77 0.38 -0.57 0.00 0.00 179.45 179.45 2kwc h ASP 102 N 0.00 0.00 0.00 0.86 2.03 -1.94 -3.48 116.42 113.88 2kwc h ASP 102 Ca -0.01 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.29 2kwc h ASP 102 Cb 1.19 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.69 2kwc h ASP 102 CO 0.08 0.77 0.00 0.61 -1.03 0.00 0.00 179.24 179.67 2kwc n GLY 103 N 1.10 2.68 3.01 7.15 0.00 -1.10 -4.24 105.19 113.79 2kwc n GLY 103 Ca 0.00 -0.72 -0.18 0.00 0.00 0.00 0.00 46.02 45.12 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 -2.09 -4.32 1.61 3.72 -1.26 -3.58 117.46 111.54 2kwc n PHE 104 Ca 0.00 0.12 -0.24 0.00 -0.05 0.00 0.00 57.45 57.28 2kwc n PHE 104 Cb 0.00 -1.40 -0.08 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 1.43 3.02 -0.18 4.37 2.96 -1.25 -2.39 118.68 126.64 2kwc s LEU 105 Ca 0.34 -0.88 -0.00 0.00 -0.22 0.00 0.00 54.13 53.36 2kwc s LEU 105 Cb -0.05 -1.46 0.04 0.00 0.50 0.00 0.00 46.19 45.23 2kwc s LEU 105 CO 0.34 -0.15 -0.06 -0.72 -1.32 0.00 0.00 176.35 174.44 2kwc s TYR 106 N -2.46 1.92 0.06 5.38 1.13 -1.26 -2.22 117.35 119.90 2kwc s TYR 106 Ca 0.34 -1.26 -0.00 0.00 -1.41 0.00 0.00 57.07 54.74 2kwc s TYR 106 Cb -0.03 -1.41 -0.04 0.00 -1.10 0.00 0.00 41.96 39.38 2kwc s TYR 106 CO 0.19 -0.66 -0.04 0.54 -2.51 0.00 0.00 175.55 173.08 2kwc s VAL 107 N 1.56 0.29 -0.12 -3.49 0.11 -1.19 -4.25 120.40 113.31 2kwc s VAL 107 Ca -0.00 -1.74 -0.09 0.00 -2.93 0.00 0.00 61.98 57.21 2kwc s VAL 107 Cb -0.16 -1.42 0.04 0.00 -1.53 0.00 0.00 36.38 33.31 2kwc s VAL 107 CO -0.08 -0.93 0.31 -0.89 -3.33 0.00 0.00 175.10 170.19 2kwc s THR 108 N -3.62 -0.01 0.35 5.04 2.01 -0.81 -1.28 115.64 117.32 2kwc s THR 108 Ca 0.06 0.05 0.06 0.00 0.31 0.00 0.00 61.69 62.16 2kwc s THR 108 Cb 0.06 -0.45 -0.07 0.00 0.01 0.00 0.00 72.50 72.04 2kwc s THR 108 CO -0.08 0.02 0.02 -0.72 -0.69 0.00 0.00 174.62 173.17 2kwc s TYR 109 N 0.65 2.16 0.15 4.92 -0.85 -1.26 -0.39 117.35 122.74 2kwc s TYR 109 Ca -0.04 -0.80 -0.20 0.00 -0.52 0.00 0.00 57.07 55.51 2kwc s TYR 109 Cb -0.05 -1.42 0.05 0.00 0.38 0.00 0.00 41.96 40.92 2kwc s TYR 109 CO -0.04 0.22 0.51 -1.54 -1.52 0.00 0.00 175.55 173.18 2kwc s SER 110 N -3.56 -0.40 0.00 -0.18 1.04 -0.57 -2.18 113.70 107.85 2kwc s SER 110 Ca 0.35 -0.17 0.11 0.00 0.48 0.00 0.00 55.95 56.71 2kwc s SER 110 Cb 0.08 0.54 0.49 0.00 0.10 0.00 0.00 66.02 67.23 2kwc s SER 110 CO 0.16 -0.92 1.29 0.61 0.98 0.00 0.00 173.24 175.36 2kwc n GLY 111 N -0.31 -0.76 3.54 7.32 0.00 -1.26 -0.80 105.19 112.92 2kwc n GLY 111 Ca -0.16 -0.04 -0.26 0.00 0.00 0.00 0.00 46.02 45.56 2kwc n GLY 111 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2kwc s GLU 112 N -2.81 1.94 -0.35 1.61 8.01 -1.25 -4.34 118.70 121.51 2kwc s GLU 112 Ca 0.07 -1.43 -0.03 0.00 0.01 0.00 0.00 54.97 53.60 2kwc s GLU 112 Cb 0.07 -2.04 0.11 0.00 -4.31 0.00 0.00 34.13 27.97 2kwc s GLU 112 CO 0.18 0.40 2.46 -1.71 0.01 0.00 0.00 175.26 176.59 2kwc n ASN 113 N -0.22 6.37 -4.59 -0.19 4.05 -1.26 -4.40 115.26 115.02 2kwc n ASN 113 Ca -0.09 -3.08 -0.29 0.00 0.45 0.00 0.00 54.58 51.57 2kwc n ASN 113 Cb 0.57 -1.16 -0.09 0.00 1.23 0.00 0.00 39.78 40.33 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 -2.02 1.35 -1.99 -0.44 -4.23 -1.26 -5.04 115.64 102.01 2kwc s THR 114 Ca 0.45 -2.00 0.17 0.00 -1.18 0.00 0.00 61.69 59.13 2kwc s THR 114 Cb 0.31 -2.53 0.21 0.00 1.34 0.00 0.00 72.50 71.82 2kwc s THR 114 CO -0.10 0.00 1.11 0.49 -0.54 0.00 0.00 174.62 175.58 2kwc n PHE 115 N -1.05 0.15 -0.64 3.99 3.01 -1.26 -4.88 117.46 116.78 2kwc n PHE 115 Ca -0.11 -0.10 0.00 0.00 1.01 0.00 0.00 57.45 58.25 2kwc n PHE 115 Cb 0.67 -0.00 0.00 0.00 -0.01 0.00 0.00 39.48 40.13 2kwc n PHE 115 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18