#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 -0.09 -6.17 0.03 1.79 -2.08 -3.45 116.57 106.60 2kwc h LYS 2 Ca 0.00 0.01 -0.51 0.00 -2.18 0.00 0.00 60.65 57.96 2kwc h LYS 2 Cb 0.00 0.02 -0.04 0.00 -1.58 0.00 0.00 32.23 30.63 2kwc h LYS 2 CO 0.00 -0.06 -0.50 0.45 -1.08 0.00 0.00 179.45 178.26 2kwc s SER 3 N -2.41 5.86 -0.02 0.86 0.15 -1.26 -5.02 113.70 111.86 2kwc s SER 3 Ca -0.01 -0.07 0.13 0.00 0.70 0.00 0.00 55.95 56.70 2kwc s SER 3 Cb 0.00 -1.61 -0.20 0.00 -1.71 0.00 0.00 66.02 62.50 2kwc s SER 3 CO 0.04 -0.01 0.31 0.35 1.20 0.00 0.00 173.24 175.14 2kwc n THR 4 N -0.95 0.00 -0.24 6.45 -2.24 -1.26 -4.48 114.28 111.56 2kwc n THR 4 Ca -0.08 -0.30 0.31 0.00 -2.27 0.00 0.00 64.05 61.71 2kwc n THR 4 Cb 0.56 0.26 0.60 0.00 -2.10 0.00 0.00 70.33 69.65 2kwc n THR 4 CO 0.00 0.00 0.00 2.19 -0.57 0.00 0.00 175.07 176.69 2kwc h PHE 5 N 0.00 0.00 0.17 4.78 -0.00 -1.92 0.78 116.94 120.74 2kwc h PHE 5 Ca 0.00 0.00 -0.01 0.00 -0.00 0.00 0.00 57.97 57.96 2kwc h PHE 5 Cb 0.59 0.00 0.00 0.00 -0.00 0.00 0.00 35.95 36.54 2kwc h PHE 5 CO 0.00 0.00 -0.09 0.87 -0.00 0.00 0.00 178.31 179.09 2kwc h LYS 6 N 0.00 -0.23 0.00 6.09 1.79 -1.79 -2.53 116.57 119.91 2kwc h LYS 6 Ca 0.50 0.02 -0.00 0.00 -2.18 0.00 0.00 60.65 58.99 2kwc h LYS 6 Cb 2.59 0.05 -0.00 0.00 -1.58 0.00 0.00 32.23 33.29 2kwc h LYS 6 CO -0.01 -0.15 -0.25 1.03 -1.08 0.00 0.00 179.45 179.00 2kwc h SER 7 N -0.23 0.00 -1.87 0.86 0.87 -1.33 -3.29 113.55 108.56 2kwc h SER 7 Ca -0.02 -0.03 0.54 0.00 -1.23 0.00 0.00 61.79 61.05 2kwc h SER 7 Cb 0.18 0.00 -0.08 0.00 -0.44 0.00 0.00 62.40 62.06 2kwc h SER 7 CO 0.03 0.64 1.34 1.21 -0.53 0.00 0.00 176.83 179.52 2kwc n GLU 8 N -4.70 -0.00 -3.55 2.24 4.07 0.25 -2.46 120.64 116.48 2kwc n GLU 8 Ca -0.04 1.04 -0.29 0.00 -0.06 0.00 0.00 57.16 57.81 2kwc n GLU 8 Cb 0.14 -2.38 -0.12 0.00 -0.06 0.00 0.00 31.44 29.01 2kwc n GLU 8 CO 0.00 0.00 0.00 0.71 -0.06 0.00 0.00 177.13 177.78 2kwc s TYR 9 N -4.78 1.19 0.72 4.31 2.02 -0.95 -4.95 117.35 114.91 2kwc s TYR 9 Ca -0.05 -1.93 -0.11 0.00 -0.37 0.00 0.00 57.07 54.61 2kwc s TYR 9 Cb 0.26 -1.28 0.02 0.00 -0.40 0.00 0.00 41.96 40.56 2kwc s TYR 9 CO 0.85 -0.81 1.07 -1.25 -1.57 0.00 0.00 175.55 173.84 2kwc s PRO 10 N 0.79 2.74 0.04 -1.71 0.04 -1.03 -4.34 135.00 131.53 2kwc s PRO 10 Ca 0.18 0.87 -0.13 0.00 0.04 0.00 0.00 61.00 61.96 2kwc s PRO 10 Cb -0.23 -1.97 -0.06 0.00 0.04 0.00 0.00 34.50 32.27 2kwc s PRO 10 CO 0.00 -1.22 1.21 0.35 0.04 0.00 0.00 177.00 177.39 2kwc h PHE 11 N -0.80 -0.57 -0.95 0.56 3.57 -1.92 -0.82 116.94 116.01 2kwc h PHE 11 Ca -0.45 0.01 0.28 0.00 3.53 0.00 0.00 57.97 61.35 2kwc h PHE 11 Cb 1.22 0.23 -0.18 0.00 2.79 0.00 0.00 35.95 40.02 2kwc h PHE 11 CO 0.58 -0.24 0.10 0.39 -2.23 0.00 0.00 178.31 176.91 2kwc n GLU 12 N -3.57 -0.07 0.00 1.11 4.71 -1.26 -0.40 120.64 121.16 2kwc n GLU 12 Ca -0.04 1.40 0.00 0.00 -0.01 0.00 0.00 57.16 58.51 2kwc n GLU 12 Cb 0.17 -2.27 0.00 0.00 -1.01 0.00 0.00 31.44 28.32 2kwc n GLU 12 CO 0.00 0.00 0.00 1.17 0.09 0.00 0.00 177.13 178.39 2kwc n LYS 13 N -5.36 0.00 -0.41 3.49 3.00 -0.80 -1.67 118.16 116.41 2kwc n LYS 13 Ca 0.25 0.52 -0.09 0.00 -0.00 0.00 0.00 58.31 58.98 2kwc n LYS 13 Cb 0.81 -1.46 -0.07 0.00 0.00 0.00 0.00 35.03 34.31 2kwc n LYS 13 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 2kwc h ARG 14 N 0.00 -0.00 -0.98 1.64 3.08 0.39 1.31 114.38 119.82 2kwc h ARG 14 Ca 0.00 0.00 0.33 0.00 0.07 0.00 0.00 59.98 60.38 2kwc h ARG 14 Cb 0.00 0.00 -0.17 0.00 0.08 0.00 0.00 29.97 29.88 2kwc h ARG 14 CO 0.00 -0.00 0.35 -0.22 -1.07 0.00 0.00 179.97 179.03 2kwc h LYS 15 N -0.00 0.08 0.71 0.04 3.64 -0.69 0.29 116.57 120.64 2kwc h LYS 15 Ca 0.19 -0.00 -0.03 0.00 -1.27 0.00 0.00 60.65 59.54 2kwc h LYS 15 Cb 0.45 -0.02 0.01 0.00 -0.41 0.00 0.00 32.23 32.25 2kwc h LYS 15 CO -0.95 0.05 -0.34 0.00 -2.27 0.00 0.00 179.45 175.94 2kwc h ALA 16 N 1.94 -0.97 -0.98 5.00 0.00 0.25 -2.02 119.26 122.49 2kwc h ALA 16 Ca 0.72 -0.21 0.33 0.00 0.00 0.00 0.00 54.91 55.75 2kwc h ALA 16 Cb 1.70 0.37 -0.18 0.00 0.00 0.00 0.00 17.79 19.68 2kwc h ALA 16 CO -0.78 -0.90 0.24 -1.91 0.00 0.00 0.00 179.25 175.90 2kwc n GLU 17 N -5.35 -0.07 -0.08 0.00 4.07 0.79 0.18 120.64 120.18 2kwc n GLU 17 Ca -0.12 1.42 -0.10 0.00 -0.06 0.00 0.00 57.16 58.30 2kwc n GLU 17 Cb 0.38 -2.38 -0.03 0.00 -0.06 0.00 0.00 31.44 29.34 2kwc n GLU 17 CO 0.00 0.00 0.00 0.66 -0.06 0.00 0.00 177.13 177.73 2kwc h SER 18 N 0.00 0.38 -0.65 4.31 4.64 -0.77 -1.80 113.55 119.66 2kwc h SER 18 Ca 0.70 -0.18 0.19 0.00 -0.47 0.00 0.00 61.79 62.03 2kwc h SER 18 Cb 1.65 -0.10 -0.03 0.00 -0.31 0.00 0.00 62.40 63.62 2kwc h SER 18 CO -0.85 0.45 0.59 -0.33 -0.87 0.00 0.00 176.83 175.82 2kwc h GLU 19 N 0.28 0.00 0.00 4.77 4.39 0.26 0.40 114.58 124.68 2kwc h GLU 19 Ca 0.09 0.00 -0.00 0.00 0.34 0.00 0.00 59.36 59.79 2kwc h GLU 19 Cb 0.20 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.85 2kwc h GLU 19 CO -0.01 0.00 -0.00 0.00 -1.16 0.00 0.00 179.01 177.84 2kwc h ARG 20 N 0.00 -0.00 0.00 2.33 3.08 -0.52 -2.39 114.38 116.88 2kwc h ARG 20 Ca 0.31 0.00 -0.00 0.00 0.07 0.00 0.00 59.98 60.36 2kwc h ARG 20 Cb 1.49 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 31.54 2kwc h ARG 20 CO -0.00 0.89 -0.01 0.82 -1.07 0.00 0.00 179.97 180.60 2kwc h ILE 21 N -0.98 0.49 0.00 2.04 2.04 -0.33 0.73 117.51 121.51 2kwc h ILE 21 Ca -0.00 -0.04 -0.15 0.00 1.00 0.00 0.00 64.86 65.67 2kwc h ILE 21 Cb 0.89 1.02 -0.02 0.00 -0.74 0.00 0.00 36.82 37.97 2kwc h ILE 21 CO 0.00 0.01 -0.80 0.00 0.00 0.00 0.00 178.15 177.36 2kwc h ALA 22 N 1.99 0.58 0.00 1.87 0.00 -0.35 0.84 119.26 124.19 2kwc h ALA 22 Ca -0.00 -0.67 0.00 0.00 0.00 0.00 0.00 54.91 54.24 2kwc h ALA 22 Cb 0.02 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.77 2kwc h ALA 22 CO 0.00 0.88 -0.77 -3.47 0.00 0.00 0.00 179.25 175.89 2kwc n ASP 23 N -3.22 0.68 -0.04 0.00 2.03 0.80 -3.62 116.55 113.18 2kwc n ASP 23 Ca -0.01 0.03 -0.05 0.00 0.52 0.00 0.00 54.79 55.29 2kwc n ASP 23 Cb 0.82 0.37 -0.02 0.00 -0.72 0.00 0.00 41.12 41.57 2kwc n ASP 23 CO 0.00 0.00 0.00 -1.14 -1.92 0.00 0.00 177.20 174.14 2kwc n ARG 24 N -2.09 0.28 -3.68 -0.67 0.00 0.22 -4.87 116.66 105.85 2kwc n ARG 24 Ca 0.03 0.11 -0.27 0.00 -0.00 0.00 0.00 57.85 57.71 2kwc n ARG 24 Cb 0.44 -0.96 -0.10 0.00 0.00 0.00 0.00 32.46 31.84 2kwc n ARG 24 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.63 178.82 2kwc n PHE 25 N -3.76 3.02 1.50 -0.14 3.72 0.29 -4.88 117.46 117.22 2kwc n PHE 25 Ca -0.07 -4.18 0.12 0.00 -0.05 0.00 0.00 57.45 53.27 2kwc n PHE 25 Cb 0.28 -0.54 0.71 0.00 -0.94 0.00 0.00 39.48 38.98 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 1.61 0.75 -0.53 -1.08 -0.04 -1.10 -2.10 135.00 132.52 2kwc n PRO 26 Ca 0.24 0.00 0.09 0.00 -0.04 0.00 0.00 63.50 63.79 2kwc n PRO 26 Cb 0.38 -1.50 0.32 0.00 -0.04 0.00 0.00 33.50 32.67 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 -1.00 4.40 -4.26 3.54 3.02 -1.26 -4.95 115.26 114.76 2kwc n ASN 27 Ca 0.18 -2.42 -0.24 0.00 -0.03 0.00 0.00 54.58 52.07 2kwc n ASN 27 Cb 0.08 -0.53 -0.03 0.00 -0.61 0.00 0.00 39.78 38.70 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 0.93 0.92 -3.37 3.52 5.12 -0.89 -3.44 116.66 119.44 2kwc n ARG 28 Ca 0.24 -2.95 -0.17 0.00 -1.93 0.00 0.00 57.85 53.03 2kwc n ARG 28 Cb 0.82 0.59 -0.08 0.00 -1.16 0.00 0.00 32.46 32.62 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 -2.39 -0.32 -0.65 0.55 1.01 0.51 -4.73 121.20 115.18 2kwc s ILE 29 Ca 0.11 -0.96 -0.27 0.00 0.00 0.00 0.00 60.65 59.53 2kwc s ILE 29 Cb -0.01 -0.73 0.01 0.00 0.01 0.00 0.00 42.46 41.74 2kwc s ILE 29 CO 0.07 -0.59 1.55 -2.16 0.00 0.00 0.00 174.94 173.82 2kwc s PRO 30 N 1.52 2.97 0.59 2.79 0.04 -1.26 -2.50 135.00 139.14 2kwc s PRO 30 Ca 0.16 0.25 -0.07 0.00 0.04 0.00 0.00 61.00 61.38 2kwc s PRO 30 Cb -0.15 -4.26 0.00 0.00 0.04 0.00 0.00 34.50 30.13 2kwc s PRO 30 CO -0.06 -2.36 0.91 0.54 0.04 0.00 0.00 177.00 176.06 2kwc s VAL 31 N 7.22 3.87 -0.38 -0.36 0.11 -0.97 -3.94 120.40 125.95 2kwc s VAL 31 Ca 0.52 0.12 0.01 0.00 -2.93 0.00 0.00 61.98 59.69 2kwc s VAL 31 Cb -0.11 -3.53 0.13 0.00 -1.53 0.00 0.00 36.38 31.34 2kwc s VAL 31 CO 0.19 -0.57 0.20 -0.63 -3.33 0.00 0.00 175.10 170.96 2kwc s ILE 32 N -3.00 0.86 0.32 7.04 -1.09 0.51 -3.79 121.20 122.05 2kwc s ILE 32 Ca 0.53 -2.02 -0.02 0.00 -2.23 0.00 0.00 60.65 56.92 2kwc s ILE 32 Cb -0.11 -1.62 -0.04 0.00 -1.58 0.00 0.00 42.46 39.11 2kwc s ILE 32 CO 0.46 -0.88 0.55 0.00 -1.23 0.00 0.00 174.94 173.85 2kwc s GLU 34 N -3.95 0.15 0.22 0.00 -1.05 -0.74 -4.68 118.70 108.65 2kwc s GLU 34 Ca 0.42 0.69 -0.32 0.00 -0.15 0.00 0.00 54.97 55.61 2kwc s GLU 34 Cb -0.10 -0.16 -0.13 0.00 -0.44 0.00 0.00 34.13 33.30 2kwc s GLU 34 CO 0.34 -0.33 1.56 1.17 0.95 0.00 0.00 175.26 178.95 2kwc n LYS 35 N 5.35 2.38 -2.55 -4.83 0.00 -1.26 -3.43 118.16 113.81 2kwc n LYS 35 Ca -0.06 0.85 -0.43 0.00 0.00 0.00 0.00 58.31 58.67 2kwc n LYS 35 Cb 0.50 -2.61 -0.02 0.00 0.00 0.00 0.00 35.03 32.90 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 0.47 3.12 0.28 3.14 0.00 -1.06 -4.89 121.76 122.82 2kwc s ALA 36 Ca 0.71 -0.42 -0.04 0.00 0.00 0.00 0.00 51.96 52.21 2kwc s ALA 36 Cb -0.59 -3.91 0.56 0.00 0.00 0.00 0.00 23.12 19.17 2kwc s ALA 36 CO 0.43 -2.31 1.59 1.05 0.00 0.00 0.00 175.76 176.52 2kwc h GLU 37 N 9.56 0.04 -0.85 0.00 4.11 -1.93 0.80 114.58 126.31 2kwc h GLU 37 Ca -0.24 -0.00 0.21 0.00 0.07 0.00 0.00 59.36 59.40 2kwc h GLU 37 Cb 1.07 -0.01 -0.15 0.00 0.50 0.00 0.00 28.75 30.16 2kwc h GLU 37 CO 1.12 0.02 0.03 0.87 0.07 0.00 0.00 179.01 181.13 2kwc h LYS 38 N 0.04 0.08 -6.51 1.06 6.56 -2.00 -3.41 116.57 112.40 2kwc h LYS 38 Ca 0.50 -0.01 -0.46 0.00 -1.06 0.00 0.00 60.65 59.62 2kwc h LYS 38 Cb 0.91 -0.02 0.24 0.00 -0.57 0.00 0.00 32.23 32.79 2kwc h LYS 38 CO -0.85 0.06 -1.47 0.43 -2.06 0.00 0.00 179.45 175.55 2kwc n SER 39 N -5.38 -2.52 -0.05 0.86 7.64 0.28 -4.93 113.62 109.51 2kwc n SER 39 Ca 0.17 -0.11 0.05 0.00 1.01 0.00 0.00 58.87 59.99 2kwc n SER 39 Cb 0.58 -0.84 0.07 0.00 -1.01 0.00 0.00 64.21 63.00 2kwc n SER 39 CO 0.00 0.00 0.00 0.47 -3.01 0.00 0.00 175.04 172.50 2kwc n ASP 40 N -0.49 2.03 -4.79 6.43 8.00 -1.26 -5.00 116.55 121.47 2kwc n ASP 40 Ca -0.00 -2.48 -0.31 0.00 0.71 0.00 0.00 54.79 52.71 2kwc n ASP 40 Cb 0.65 -0.21 0.07 0.00 -0.02 0.00 0.00 41.12 41.62 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 -1.82 3.65 -0.01 0.53 -4.36 -1.26 -4.98 121.20 112.94 2kwc s ILE 41 Ca 0.15 0.53 -0.30 0.00 -0.26 0.00 0.00 60.65 60.77 2kwc s ILE 41 Cb 0.13 -3.16 -0.04 0.00 1.25 0.00 0.00 42.46 40.64 2kwc s ILE 41 CO 0.01 -0.70 1.20 -2.16 0.24 0.00 0.00 174.94 173.54 2kwc s PRO 42 N -4.99 4.38 0.89 0.37 0.04 -1.26 -5.00 135.00 129.43 2kwc s PRO 42 Ca 0.60 1.71 -0.13 0.00 0.04 0.00 0.00 61.00 63.22 2kwc s PRO 42 Cb -0.15 -3.49 0.06 0.00 0.04 0.00 0.00 34.50 30.96 2kwc s PRO 42 CO 0.55 -0.38 0.77 -1.91 0.04 0.00 0.00 177.00 176.07 2kwc n GLU 43 N 4.77 -0.17 -2.64 4.56 2.13 -1.26 -4.85 120.64 123.18 2kwc n GLU 43 Ca 0.10 0.01 -0.12 0.00 0.66 0.00 0.00 57.16 57.81 2kwc n GLU 43 Cb 0.46 -2.10 -0.00 0.00 0.27 0.00 0.00 31.44 30.07 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 -3.55 0.00 -0.07 6.31 -5.35 -1.26 -4.93 119.36 110.51 2kwc n ILE 44 Ca 0.10 -0.98 -0.11 0.00 -0.27 0.00 0.00 62.75 61.49 2kwc n ILE 44 Cb 0.52 -0.21 -0.09 0.00 -1.74 0.00 0.00 39.64 38.12 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 0.33 0.00 -5.29 7.28 3.58 -1.96 -3.49 116.42 116.86 2kwc h ASP 45 Ca -0.16 -0.61 -0.11 0.00 0.42 0.00 0.00 57.03 56.57 2kwc h ASP 45 Cb 0.56 0.00 -0.08 0.00 1.72 0.00 0.00 39.33 41.53 2kwc h ASP 45 CO 0.25 0.95 -0.10 -1.59 -2.88 0.00 0.00 179.24 175.87 2kwc s LYS 46 N -2.09 1.72 -0.35 0.28 0.00 -1.26 -5.13 119.74 112.90 2kwc s LYS 46 Ca -0.16 -1.41 0.02 0.00 0.00 0.00 0.00 55.97 54.42 2kwc s LYS 46 Cb -0.00 0.48 0.10 0.00 0.00 0.00 0.00 37.83 38.40 2kwc s LYS 46 CO 0.48 -0.72 0.08 -0.98 0.00 0.00 0.00 175.35 174.20 2kwc s ARG 47 N -3.58 1.73 -0.26 1.78 1.70 -1.26 -5.05 118.95 114.01 2kwc s ARG 47 Ca 0.24 -1.79 -0.13 0.00 -0.47 0.00 0.00 55.73 53.58 2kwc s ARG 47 Cb -0.01 -3.29 0.09 0.00 -0.57 0.00 0.00 34.95 31.17 2kwc s ARG 47 CO 0.12 -0.93 0.62 0.21 -1.08 0.00 0.00 175.30 174.24 2kwc s LYS 48 N 1.00 0.61 -0.30 3.89 2.36 -1.26 -4.64 119.74 121.39 2kwc s LYS 48 Ca 0.08 1.20 -0.01 0.00 -2.55 0.00 0.00 55.97 54.69 2kwc s LYS 48 Cb -0.20 0.29 0.13 0.00 -1.05 0.00 0.00 37.83 37.00 2kwc s LYS 48 CO -0.06 -0.17 0.26 0.71 1.55 0.00 0.00 175.35 177.64 2kwc s TYR 49 N 1.94 -0.20 -0.74 4.03 2.02 -1.25 -5.04 117.35 118.11 2kwc s TYR 49 Ca -0.09 -0.47 -0.22 0.00 -0.37 0.00 0.00 57.07 55.93 2kwc s TYR 49 Cb -0.08 -0.59 0.08 0.00 -0.40 0.00 0.00 41.96 40.98 2kwc s TYR 49 CO -0.18 -0.90 1.02 -0.51 -1.57 0.00 0.00 175.55 173.41 2kwc s LEU 50 N 2.16 4.53 0.10 -1.29 1.43 -1.26 -2.29 118.68 122.05 2kwc s LEU 50 Ca 0.10 -1.27 0.05 0.00 -1.03 0.00 0.00 54.13 51.98 2kwc s LEU 50 Cb -0.15 -2.42 -0.04 0.00 0.03 0.00 0.00 46.19 43.61 2kwc s LEU 50 CO -0.30 -1.35 -0.01 0.68 0.23 0.00 0.00 176.35 175.60 2kwc s VAL 51 N 3.75 3.91 0.99 -1.59 -7.23 -1.04 -4.85 120.40 114.34 2kwc s VAL 51 Ca 0.25 -1.06 -0.15 0.00 -1.81 0.00 0.00 61.98 59.22 2kwc s VAL 51 Cb -0.13 -2.87 0.18 0.00 0.56 0.00 0.00 36.38 34.12 2kwc s VAL 51 CO 0.04 0.10 1.18 -2.16 -0.31 0.00 0.00 175.10 173.95 2kwc s PRO 52 N -2.34 0.51 -0.08 4.82 0.04 -1.26 0.19 135.00 136.88 2kwc s PRO 52 Ca 0.25 0.05 0.07 0.00 0.04 0.00 0.00 61.00 61.41 2kwc s PRO 52 Cb -0.11 -1.79 0.34 0.00 0.04 0.00 0.00 34.50 32.97 2kwc s PRO 52 CO 0.18 -2.58 1.08 0.00 0.04 0.00 0.00 177.00 175.72 2kwc n ALA 53 N -3.98 2.94 -0.23 8.56 0.00 -1.22 -3.07 120.51 123.50 2kwc n ALA 53 Ca 0.10 -0.76 0.00 0.00 0.00 0.00 0.00 53.44 52.78 2kwc n ALA 53 Cb 0.59 -1.04 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 -3.47 0.00 0.00 0.00 177.50 174.03 2kwc n ASP 54 N 0.31 0.91 -4.90 0.00 -0.08 -1.26 -4.34 116.55 107.19 2kwc n ASP 54 Ca 0.12 -1.15 -0.28 0.00 -1.51 0.00 0.00 54.79 51.97 2kwc n ASP 54 Cb 0.56 0.00 -0.02 0.00 2.34 0.00 0.00 41.12 44.00 2kwc n ASP 54 CO 0.00 0.00 0.00 -0.22 0.12 0.00 0.00 177.20 177.10 2kwc s LEU 55 N -0.15 3.91 0.25 -2.67 0.20 -1.17 -4.97 118.68 114.07 2kwc s LEU 55 Ca 0.00 0.84 0.08 0.00 0.69 0.00 0.00 54.13 55.73 2kwc s LEU 55 Cb 0.00 -3.70 -0.04 0.00 -0.43 0.00 0.00 46.19 42.02 2kwc s LEU 55 CO 0.00 -0.34 0.13 0.42 -0.29 0.00 0.00 176.35 176.27 2kwc s THR 56 N -2.31 4.14 0.18 3.68 -4.23 -1.26 -1.59 115.64 114.25 2kwc s THR 56 Ca 0.46 -1.54 -0.13 0.00 -1.18 0.00 0.00 61.69 59.30 2kwc s THR 56 Cb -0.10 -3.22 0.10 0.00 1.34 0.00 0.00 72.50 70.61 2kwc s THR 56 CO 0.34 -0.34 1.72 0.58 -0.54 0.00 0.00 174.62 176.38 2kwc h VAL 57 N 1.66 0.75 -0.95 2.29 2.07 -1.21 -2.22 116.25 118.64 2kwc h VAL 57 Ca -0.47 -0.09 0.13 0.00 0.82 0.00 0.00 66.70 67.09 2kwc h VAL 57 Cb 1.24 0.47 -0.14 0.00 -1.52 0.00 0.00 31.29 31.34 2kwc h VAL 57 CO 0.61 0.05 -0.44 0.61 0.02 0.00 0.00 177.57 178.41 2kwc n GLY 58 N -1.28 -2.15 0.33 2.17 0.00 -0.52 0.16 105.19 103.91 2kwc n GLY 58 Ca 0.05 1.09 0.13 0.00 0.00 0.00 0.00 46.02 47.29 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 0.52 0.61 1.61 4.20 -1.66 -1.65 115.11 118.74 2kwc h GLN 59 Ca 0.27 -0.03 -0.02 0.00 0.06 0.00 0.00 58.65 58.92 2kwc h GLN 59 Cb 0.51 -0.12 -0.01 0.00 0.30 0.00 0.00 27.48 28.16 2kwc h GLN 59 CO -0.93 0.34 -0.48 0.35 -0.67 0.00 0.00 178.83 177.44 2kwc h PHE 60 N 0.53 -1.32 -1.90 2.96 3.57 0.17 0.41 116.94 121.35 2kwc h PHE 60 Ca 0.57 0.00 0.55 0.00 3.53 0.00 0.00 57.97 62.62 2kwc h PHE 60 Cb 1.01 0.50 -0.08 0.00 2.79 0.00 0.00 35.95 40.17 2kwc h PHE 60 CO -0.08 -0.68 1.38 0.28 -2.23 0.00 0.00 178.31 176.99 2kwc h VAL 61 N -1.06 0.03 0.12 1.41 2.07 -0.58 1.53 116.25 119.77 2kwc h VAL 61 Ca -0.08 0.00 -0.28 0.00 0.82 0.00 0.00 66.70 67.16 2kwc h VAL 61 Cb 0.89 0.03 -0.00 0.00 -1.52 0.00 0.00 31.29 30.69 2kwc h VAL 61 CO 0.01 0.00 -1.44 0.22 0.02 0.00 0.00 177.57 176.38 2kwc h TYR 62 N 0.00 0.46 -0.90 1.57 3.20 -0.92 -3.01 116.97 117.37 2kwc h TYR 62 Ca 0.90 -0.33 0.11 0.00 3.14 0.00 0.00 58.73 62.55 2kwc h TYR 62 Cb 3.66 -0.02 -0.07 0.00 1.54 0.00 0.00 36.73 41.85 2kwc h TYR 62 CO 0.00 1.56 0.58 0.28 -1.64 0.00 0.00 178.16 178.94 2kwc h VAL 63 N -0.27 0.94 0.46 1.81 2.07 0.63 -2.24 116.25 119.64 2kwc h VAL 63 Ca -0.31 -0.29 -0.02 0.00 0.82 0.00 0.00 66.70 66.90 2kwc h VAL 63 Cb 1.78 0.01 0.00 0.00 -1.52 0.00 0.00 31.29 31.57 2kwc h VAL 63 CO 0.07 0.16 -0.22 0.40 0.02 0.00 0.00 177.57 177.99 2kwc h ILE 64 N 0.85 0.29 -1.84 4.57 5.03 -0.69 -2.86 117.51 122.85 2kwc h ILE 64 Ca 0.43 -0.55 0.53 0.00 -0.12 0.00 0.00 64.86 65.15 2kwc h ILE 64 Cb 0.48 0.44 -0.07 0.00 -3.03 0.00 0.00 36.82 34.63 2kwc h ILE 64 CO -0.19 0.06 1.36 -1.14 -0.68 0.00 0.00 178.15 177.55 2kwc n ARG 65 N -5.21 0.00 0.02 2.37 0.63 -0.89 0.19 116.66 113.77 2kwc n ARG 65 Ca -0.09 1.03 -0.11 0.00 -0.92 0.00 0.00 57.85 57.75 2kwc n ARG 65 Cb 0.29 -2.40 -0.09 0.00 0.45 0.00 0.00 32.46 30.72 2kwc n ARG 65 CO 0.00 0.00 0.00 0.87 -2.51 0.00 0.00 177.63 175.99 2kwc h LYS 66 N 0.00 -0.13 -0.10 -0.14 6.56 -1.23 1.56 116.57 123.09 2kwc h LYS 66 Ca 0.88 0.01 0.03 0.00 -1.06 0.00 0.00 60.65 60.50 2kwc h LYS 66 Cb 3.58 0.03 -0.00 0.00 -0.57 0.00 0.00 32.23 35.27 2kwc h LYS 66 CO -0.01 0.38 0.46 0.00 -2.06 0.00 0.00 179.45 178.22 2kwc h ARG 67 N -0.82 0.00 0.00 3.15 2.47 0.24 0.77 114.38 120.19 2kwc h ARG 67 Ca -0.01 0.00 -0.03 0.00 -1.26 0.00 0.00 59.98 58.68 2kwc h ARG 67 Cb 0.57 0.00 -0.00 0.00 -1.65 0.00 0.00 29.97 28.89 2kwc h ARG 67 CO 0.02 0.00 -1.62 0.44 0.56 0.00 0.00 179.97 179.37 2kwc n ILE 68 N -2.99 0.10 -1.97 2.04 -5.35 -0.63 -4.54 119.36 106.02 2kwc n ILE 68 Ca 0.00 -0.32 -0.12 0.00 -0.27 0.00 0.00 62.75 62.04 2kwc n ILE 68 Cb 0.53 0.10 -0.02 0.00 -1.74 0.00 0.00 39.64 38.51 2kwc n ILE 68 CO 0.00 0.00 0.00 0.23 -1.76 0.00 0.00 176.55 175.02 2kwc n MET 69 N -2.01 -0.93 -1.31 6.28 2.81 0.50 -4.94 117.12 117.52 2kwc n MET 69 Ca -0.04 0.68 -0.33 0.00 -1.81 0.00 0.00 57.70 56.20 2kwc n MET 69 Cb 0.40 -4.81 0.10 0.00 -0.71 0.00 0.00 33.22 28.20 2kwc n MET 69 CO 0.00 0.00 0.00 -0.51 1.51 0.00 0.00 175.97 176.97 2kwc s LEU 70 N -3.26 3.20 0.92 4.03 1.02 0.85 -4.98 118.68 120.46 2kwc s LEU 70 Ca 0.00 2.20 -0.13 0.00 0.02 0.00 0.00 54.13 56.23 2kwc s LEU 70 Cb 0.00 -4.57 0.14 0.00 0.02 0.00 0.00 46.19 41.78 2kwc s LEU 70 CO 0.00 -2.31 1.14 -2.16 0.02 0.00 0.00 176.35 173.05 2kwc s PRO 71 N -4.20 1.06 0.00 1.29 0.04 -1.26 -4.84 135.00 127.08 2kwc s PRO 71 Ca 0.70 0.25 0.23 0.00 0.04 0.00 0.00 61.00 62.23 2kwc s PRO 71 Cb -0.25 -1.83 1.27 0.00 0.04 0.00 0.00 34.50 33.73 2kwc s PRO 71 CO 0.48 -2.25 1.77 -0.35 0.04 0.00 0.00 177.00 176.69 2kwc n PRO 72 N -3.79 0.51 -0.02 0.56 -0.04 -1.26 -2.68 135.00 128.27 2kwc n PRO 72 Ca 0.07 0.04 -0.15 0.00 -0.04 0.00 0.00 63.50 63.42 2kwc n PRO 72 Cb 0.59 -1.50 -0.14 0.00 -0.04 0.00 0.00 33.50 32.41 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 -1.16 0.70 -0.57 0.54 0.28 -1.26 -4.94 120.64 114.23 2kwc n GLU 73 Ca 0.14 0.25 -0.29 0.00 -0.16 0.00 0.00 57.16 57.10 2kwc n GLU 73 Cb 0.14 -1.72 0.26 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 -2.57 -1.53 -0.27 3.44 -0.14 -1.09 -5.05 119.74 112.53 2kwc s LYS 74 Ca -0.15 0.53 -0.00 0.00 -1.36 0.00 0.00 55.97 54.99 2kwc s LYS 74 Cb 0.07 -1.51 0.16 0.00 -1.68 0.00 0.00 37.83 34.88 2kwc s LYS 74 CO 0.78 -4.05 0.46 0.00 -0.76 0.00 0.00 175.35 171.78 2kwc s ALA 75 N -2.47 -1.51 -0.18 5.17 0.00 -1.26 -4.95 121.76 116.55 2kwc s ALA 75 Ca 0.68 0.93 -0.09 0.00 0.00 0.00 0.00 51.96 53.48 2kwc s ALA 75 Cb -0.20 -1.99 -0.05 0.00 0.00 0.00 0.00 23.12 20.88 2kwc s ALA 75 CO 0.62 -1.48 0.13 -1.50 0.00 0.00 0.00 175.76 173.53 2kwc s ILE 76 N 2.64 5.38 0.02 0.00 2.07 -1.26 -4.33 121.20 125.72 2kwc s ILE 76 Ca 0.13 0.17 0.01 0.00 -1.41 0.00 0.00 60.65 59.56 2kwc s ILE 76 Cb -0.14 -3.43 -0.04 0.00 0.13 0.00 0.00 42.46 38.99 2kwc s ILE 76 CO -0.22 0.48 0.06 -0.36 -1.91 0.00 0.00 174.94 172.99 2kwc s PHE 77 N 0.05 3.20 -0.08 3.50 0.40 -0.10 -4.91 117.98 120.05 2kwc s PHE 77 Ca 0.09 0.14 -0.00 0.00 -0.60 0.00 0.00 56.93 56.56 2kwc s PHE 77 Cb -0.11 -1.68 -0.03 0.00 0.51 0.00 0.00 43.02 41.70 2kwc s PHE 77 CO -0.01 0.52 -0.05 0.42 0.70 0.00 0.00 175.22 176.81 2kwc s ILE 78 N -1.23 3.88 -0.23 0.64 -1.09 -1.26 0.12 121.20 122.03 2kwc s ILE 78 Ca 0.24 -0.41 0.01 0.00 -2.23 0.00 0.00 60.65 58.26 2kwc s ILE 78 Cb -0.12 -2.60 0.06 0.00 -1.58 0.00 0.00 42.46 38.21 2kwc s ILE 78 CO 0.16 0.59 -0.07 -0.36 -1.23 0.00 0.00 174.94 174.03 2kwc s PHE 79 N -0.76 2.45 -0.26 3.97 0.08 0.10 -4.61 117.98 118.96 2kwc s PHE 79 Ca 0.12 -1.75 -0.12 0.00 0.12 0.00 0.00 56.93 55.30 2kwc s PHE 79 Cb -0.11 -1.61 -0.05 0.00 -0.57 0.00 0.00 43.02 40.68 2kwc s PHE 79 CO 0.02 -0.77 0.24 0.08 -0.10 0.00 0.00 175.22 174.69 2kwc s VAL 80 N 1.38 5.28 -1.42 -0.44 1.01 0.24 -1.48 120.40 124.97 2kwc s VAL 80 Ca -0.05 0.31 -0.14 0.00 0.00 0.00 0.00 61.98 62.11 2kwc s VAL 80 Cb -0.18 -3.58 0.02 0.00 0.00 0.00 0.00 36.38 32.64 2kwc s VAL 80 CO -0.07 0.25 0.28 0.59 0.00 0.00 0.00 175.10 176.15 2kwc n ASN 81 N 4.88 -1.07 -3.72 3.32 3.02 -1.25 0.19 115.26 120.63 2kwc n ASN 81 Ca -0.12 -1.28 -0.25 0.00 -0.03 0.00 0.00 54.58 52.89 2kwc n ASN 81 Cb 0.52 -1.65 0.05 0.00 -0.61 0.00 0.00 39.78 38.09 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 -2.60 -3.94 -3.98 6.41 9.92 -1.26 -4.98 116.55 116.12 2kwc n ASP 82 Ca -0.24 -0.71 -0.09 0.00 -0.53 0.00 0.00 54.79 53.22 2kwc n ASP 82 Cb 0.65 -4.39 -0.10 0.00 -0.64 0.00 0.00 41.12 36.64 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 -3.41 0.15 -0.43 -3.53 -1.32 0.49 -5.11 115.64 102.50 2kwc s THR 83 Ca 0.39 -1.27 0.02 0.00 -1.21 0.00 0.00 61.69 59.62 2kwc s THR 83 Cb -0.19 -0.98 0.13 0.00 -1.51 0.00 0.00 72.50 69.94 2kwc s THR 83 CO 0.79 -0.70 0.20 -0.22 -2.21 0.00 0.00 174.62 172.48 2kwc s LEU 84 N -2.27 3.09 0.87 9.08 2.96 -1.26 0.81 118.68 131.95 2kwc s LEU 84 Ca -0.03 -2.51 -0.12 0.00 -0.22 0.00 0.00 54.13 51.25 2kwc s LEU 84 Cb 0.00 -1.17 0.11 0.00 0.50 0.00 0.00 46.19 45.63 2kwc s LEU 84 CO -0.06 -0.29 1.12 -2.16 -1.32 0.00 0.00 176.35 173.64 2kwc s PRO 85 N 0.47 1.52 0.98 0.98 0.04 -1.26 -5.06 135.00 132.67 2kwc s PRO 85 Ca 0.16 0.43 -0.14 0.00 0.04 0.00 0.00 61.00 61.48 2kwc s PRO 85 Cb -0.23 -1.87 0.18 0.00 0.04 0.00 0.00 34.50 32.61 2kwc s PRO 85 CO -0.04 -1.96 1.17 -1.25 0.04 0.00 0.00 177.00 174.96 2kwc s PRO 86 N -5.23 0.59 0.04 0.56 0.04 -1.26 -4.96 135.00 124.77 2kwc s PRO 86 Ca 0.63 0.07 0.26 0.00 0.04 0.00 0.00 61.00 62.00 2kwc s PRO 86 Cb -0.15 -1.79 0.74 0.00 0.04 0.00 0.00 34.50 33.34 2kwc s PRO 86 CO 0.54 -2.53 1.60 -2.37 0.04 0.00 0.00 177.00 174.27 2kwc n THR 87 N -3.95 0.11 0.01 1.26 5.66 -1.26 -3.41 114.28 112.70 2kwc n THR 87 Ca 0.10 -0.07 -0.02 0.00 -3.05 0.00 0.00 64.05 61.00 2kwc n THR 87 Cb 0.59 -0.13 -0.10 0.00 -1.55 0.00 0.00 70.33 69.14 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 -1.58 1.84 -1.52 1.79 0.00 -1.26 -1.44 120.51 118.34 2kwc n ALA 88 Ca 0.06 -0.62 -0.46 0.00 0.00 0.00 0.00 53.44 52.42 2kwc n ALA 88 Cb 0.36 -0.90 -0.02 0.00 0.00 0.00 0.00 19.45 18.89 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 -2.44 -1.31 -2.39 0.00 0.00 -1.22 -4.66 120.51 108.50 2kwc n ALA 89 Ca -0.12 0.41 -0.39 0.00 0.00 0.00 0.00 53.44 53.35 2kwc n ALA 89 Cb 0.89 -1.86 -0.06 0.00 0.00 0.00 0.00 19.45 18.42 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 1.44 4.47 0.00 0.00 2.96 -1.26 -1.43 118.68 124.85 2kwc s LEU 90 Ca 0.62 1.21 0.09 0.00 -0.22 0.00 0.00 54.13 55.83 2kwc s LEU 90 Cb -0.80 -2.92 0.41 0.00 0.50 0.00 0.00 46.19 43.38 2kwc s LEU 90 CO 0.58 0.18 1.28 0.23 -1.32 0.00 0.00 176.35 177.30 2kwc n MET 91 N 2.29 0.02 0.01 1.98 2.81 -0.62 0.03 117.12 123.65 2kwc n MET 91 Ca -0.08 0.32 -0.22 0.00 -1.81 0.00 0.00 57.70 55.91 2kwc n MET 91 Cb 0.51 -1.50 -0.14 0.00 -0.71 0.00 0.00 33.22 31.38 2kwc n MET 91 CO 0.00 0.00 0.00 1.03 1.51 0.00 0.00 175.97 178.51 2kwc h SER 92 N 0.00 0.41 1.05 7.83 0.87 -1.81 -2.74 113.55 119.15 2kwc h SER 92 Ca 0.00 -0.86 -0.19 0.00 -1.23 0.00 0.00 61.79 59.51 2kwc h SER 92 Cb 0.15 -0.13 -0.03 0.00 -0.44 0.00 0.00 62.40 61.95 2kwc h SER 92 CO 0.00 1.66 -0.99 0.00 -0.53 0.00 0.00 176.83 176.97 2kwc h ALA 93 N -0.03 0.51 0.44 6.23 0.00 -1.75 -2.64 119.26 122.02 2kwc h ALA 93 Ca -0.32 -0.85 -0.02 0.00 0.00 0.00 0.00 54.91 53.72 2kwc h ALA 93 Cb 1.81 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.58 2kwc h ALA 93 CO 0.07 1.10 -0.21 0.82 0.00 0.00 0.00 179.25 181.03 2kwc h ILE 94 N 0.00 0.00 -0.09 0.00 1.08 -0.54 -2.18 117.51 115.78 2kwc h ILE 94 Ca -0.05 -0.43 0.03 0.00 -0.39 0.00 0.00 64.86 64.01 2kwc h ILE 94 Cb 1.69 0.00 -0.00 0.00 -3.07 0.00 0.00 36.82 35.43 2kwc h ILE 94 CO 0.10 0.00 0.10 0.22 -0.69 0.00 0.00 178.15 177.88 2kwc h TYR 95 N -1.02 0.00 -0.17 1.37 5.03 -1.62 0.75 116.97 121.31 2kwc h TYR 95 Ca -0.06 0.00 -0.15 0.00 2.58 0.00 0.00 58.73 61.09 2kwc h TYR 95 Cb 0.45 0.00 -0.01 0.00 1.55 0.00 0.00 36.73 38.72 2kwc h TYR 95 CO 0.02 0.00 -0.54 1.96 -1.32 0.00 0.00 178.16 178.28 2kwc h GLN 96 N 0.00 0.51 -0.02 1.82 4.20 -1.43 1.31 115.11 121.50 2kwc h GLN 96 Ca 0.04 -0.32 0.00 0.00 0.06 0.00 0.00 58.65 58.44 2kwc h GLN 96 Cb 0.25 0.03 0.00 0.00 0.30 0.00 0.00 27.48 28.06 2kwc h GLN 96 CO -0.00 0.92 -0.18 0.39 -0.67 0.00 0.00 178.83 179.28 2kwc n GLU 97 N -3.96 1.86 -0.02 1.46 1.02 0.06 -4.04 120.64 117.03 2kwc n GLU 97 Ca -0.03 -1.52 0.01 0.00 -0.02 0.00 0.00 57.16 55.59 2kwc n GLU 97 Cb 0.59 -1.47 0.01 0.00 -0.02 0.00 0.00 31.44 30.55 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 -1.73 -0.32 8.25 0.24 -5.06 115.22 117.36 2kwc n HIS 98 Ca 0.12 -0.38 -0.42 0.00 -0.26 0.00 0.00 57.72 56.79 2kwc n HIS 98 Cb 0.54 -0.04 -0.02 0.00 1.12 0.00 0.00 29.99 31.59 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 -0.40 2.65 -1.79 -0.41 0.00 0.45 -4.56 118.16 114.09 2kwc n LYS 99 Ca 0.01 0.94 -0.30 0.00 0.00 0.00 0.00 58.31 58.96 2kwc n LYS 99 Cb 0.35 -2.72 0.20 0.00 0.00 0.00 0.00 35.03 32.86 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 0.56 2.64 0.24 3.14 -1.08 -0.51 -4.93 116.67 116.73 2kwc s ASP 100 Ca 0.66 0.29 0.26 0.00 -0.52 0.00 0.00 52.55 53.23 2kwc s ASP 100 Cb -0.51 -0.33 0.74 0.00 -1.46 0.00 0.00 42.92 41.36 2kwc s ASP 100 CO 0.47 -3.03 1.75 0.11 0.52 0.00 0.00 175.17 174.99 2kwc h LYS 101 N -1.85 0.00 -0.57 4.34 1.79 -1.94 -2.87 116.57 115.47 2kwc h LYS 101 Ca -0.44 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.03 2kwc h LYS 101 Cb 1.24 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.89 2kwc h LYS 101 CO 0.35 0.00 0.00 -0.25 -1.08 0.00 0.00 179.45 178.47 2kwc n ASP 102 N -2.38 3.66 0.00 0.86 8.00 -1.26 -4.98 116.55 120.45 2kwc n ASP 102 Ca 0.05 -2.07 0.00 0.00 0.71 0.00 0.00 54.79 53.48 2kwc n ASP 102 Cb 0.44 -0.41 0.00 0.00 -0.02 0.00 0.00 41.12 41.14 2kwc n ASP 102 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2kwc n GLY 103 N 1.13 2.15 3.10 0.44 0.00 -1.09 -4.37 105.19 106.55 2kwc n GLY 103 Ca 0.20 -0.35 -0.37 0.00 0.00 0.00 0.00 46.02 45.50 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 -1.53 -4.17 1.61 3.72 -1.26 -3.50 117.46 112.33 2kwc n PHE 104 Ca 0.00 0.46 -0.34 0.00 -0.05 0.00 0.00 57.45 57.52 2kwc n PHE 104 Cb 0.00 -1.45 -0.15 0.00 -0.94 0.00 0.00 39.48 36.94 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 4.82 2.60 -0.35 4.37 2.96 -1.25 -1.43 118.68 130.39 2kwc s LEU 105 Ca 0.43 -0.46 -0.18 0.00 -0.22 0.00 0.00 54.13 53.70 2kwc s LEU 105 Cb 0.02 -1.63 -0.00 0.00 0.50 0.00 0.00 46.19 45.08 2kwc s LEU 105 CO 0.67 0.03 0.50 -0.31 -1.32 0.00 0.00 176.35 175.92 2kwc s TYR 106 N 1.18 3.18 0.05 5.38 1.51 -1.26 -0.37 117.35 127.03 2kwc s TYR 106 Ca 0.02 0.14 -0.02 0.00 -1.01 0.00 0.00 57.07 56.21 2kwc s TYR 106 Cb -0.14 -2.91 -0.04 0.00 -0.11 0.00 0.00 41.96 38.76 2kwc s TYR 106 CO -0.04 -0.54 -0.01 0.54 -1.11 0.00 0.00 175.55 174.39 2kwc s VAL 107 N 2.36 0.21 -0.08 0.71 0.11 -0.63 -3.83 120.40 119.26 2kwc s VAL 107 Ca 0.18 -1.72 -0.03 0.00 -2.93 0.00 0.00 61.98 57.48 2kwc s VAL 107 Cb -0.16 -1.45 0.04 0.00 -1.53 0.00 0.00 36.38 33.29 2kwc s VAL 107 CO 0.13 -0.95 0.17 -0.89 -3.33 0.00 0.00 175.10 170.23 2kwc s THR 108 N -3.81 -0.15 0.18 5.04 2.01 -0.55 -1.79 115.64 116.57 2kwc s THR 108 Ca 0.06 0.25 0.06 0.00 0.31 0.00 0.00 61.69 62.37 2kwc s THR 108 Cb 0.07 -0.28 -0.04 0.00 0.01 0.00 0.00 72.50 72.26 2kwc s THR 108 CO -0.10 0.10 0.10 -0.72 -0.69 0.00 0.00 174.62 173.32 2kwc s TYR 109 N 1.67 3.04 -0.17 4.92 -0.85 -1.22 0.03 117.35 124.77 2kwc s TYR 109 Ca -0.04 -0.07 -0.11 0.00 -0.52 0.00 0.00 57.07 56.33 2kwc s TYR 109 Cb -0.12 -1.45 0.05 0.00 0.38 0.00 0.00 41.96 40.83 2kwc s TYR 109 CO -0.06 0.52 0.42 0.45 -1.52 0.00 0.00 175.55 175.36 2kwc s SER 110 N -3.17 -0.50 0.59 -0.18 0.15 0.12 -2.56 113.70 108.15 2kwc s SER 110 Ca 0.30 0.90 0.29 0.00 0.70 0.00 0.00 55.95 58.14 2kwc s SER 110 Cb -0.09 0.82 1.34 0.00 -1.71 0.00 0.00 66.02 66.37 2kwc s SER 110 CO 0.22 -0.18 1.72 1.23 1.20 0.00 0.00 173.24 177.43 2kwc h GLY 111 N 6.58 0.00 -1.26 9.45 0.00 -1.84 -0.25 103.07 115.76 2kwc h GLY 111 Ca -0.33 0.00 -0.45 0.00 0.00 0.00 0.00 47.33 46.55 2kwc h GLY 111 CO 0.27 0.00 0.14 -1.84 0.00 0.00 0.00 176.54 175.12 2kwc n GLU 112 N -3.59 -0.21 -2.78 4.80 0.28 -1.26 -4.27 120.64 113.61 2kwc n GLU 112 Ca 0.14 -2.59 -0.27 0.00 -0.16 0.00 0.00 57.16 54.28 2kwc n GLU 112 Cb 0.97 -0.72 -0.03 0.00 1.43 0.00 0.00 31.44 33.10 2kwc n GLU 112 CO 0.00 0.00 0.00 -1.71 -0.16 0.00 0.00 177.13 175.26 2kwc n ASN 113 N -3.00 4.63 -4.66 -1.84 4.05 -1.26 -3.89 115.26 109.29 2kwc n ASN 113 Ca 0.16 -3.70 -0.35 0.00 0.45 0.00 0.00 54.58 51.14 2kwc n ASN 113 Cb 0.58 -0.54 -0.09 0.00 1.23 0.00 0.00 39.78 40.95 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 -4.83 4.94 -2.52 -0.44 -4.23 -1.26 -4.96 115.64 102.33 2kwc s THR 114 Ca 0.49 0.02 0.23 0.00 -1.18 0.00 0.00 61.69 61.25 2kwc s THR 114 Cb 0.32 -3.23 0.41 0.00 1.34 0.00 0.00 72.50 71.34 2kwc s THR 114 CO -0.16 0.46 1.41 0.49 -0.54 0.00 0.00 174.62 176.28 2kwc n PHE 115 N 3.52 0.43 -0.24 3.99 3.01 -1.26 -5.03 117.46 121.88 2kwc n PHE 115 Ca -0.16 -0.21 0.00 0.00 1.01 0.00 0.00 57.45 58.08 2kwc n PHE 115 Cb 0.52 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 39.99 2kwc n PHE 115 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18