#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xca s ASN 2 N 0.00 4.14 0.00 2.55 2.47 -1.26 -4.97 114.94 117.87 1xca s ASN 2 Ca 0.00 -0.45 0.28 0.00 0.42 0.00 0.00 52.86 53.11 1xca s ASN 2 Cb 0.00 -1.70 1.06 0.00 -1.45 0.00 0.00 41.25 39.16 1xca s ASN 2 CO 0.00 -0.02 1.76 0.49 -3.72 0.00 0.00 177.10 175.61 1xca n PHE 3 N 4.77 0.00 -2.38 0.43 3.01 -1.26 -4.93 117.46 117.10 1xca n PHE 3 Ca -0.18 0.00 -0.40 0.00 1.01 0.00 0.00 57.45 57.87 1xca n PHE 3 Cb 0.51 -0.21 -0.04 0.00 -0.01 0.00 0.00 39.48 39.73 1xca n PHE 3 CO 0.00 0.00 0.00 -1.54 1.01 0.00 0.00 176.76 176.23 1xca s SER 4 N -2.59 7.14 0.00 4.37 1.04 -1.26 -4.64 113.70 117.76 1xca s SER 4 Ca 0.24 2.37 0.00 0.00 0.48 0.00 0.00 55.95 59.04 1xca s SER 4 Cb 0.19 -2.63 0.00 0.00 0.10 0.00 0.00 66.02 63.68 1xca s SER 4 CO 0.51 -0.25 0.00 0.61 0.98 0.00 0.00 173.24 175.10 1xca n GLY 5 N 1.15 0.86 3.72 7.32 0.00 -0.59 -4.97 105.19 112.68 1xca n GLY 5 Ca -0.01 -1.58 -0.38 0.00 0.00 0.00 0.00 46.02 44.06 1xca n GLY 5 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1xca s ASN 6 N 0.00 6.64 0.01 1.61 -0.87 -1.26 -2.05 114.94 119.02 1xca s ASN 6 Ca 0.00 0.76 0.06 0.00 -1.57 0.00 0.00 52.86 52.11 1xca s ASN 6 Cb 0.00 -2.27 -0.03 0.00 -0.02 0.00 0.00 41.25 38.93 1xca s ASN 6 CO 0.00 0.01 -0.16 0.26 -2.57 0.00 0.00 177.10 174.64 1xca s TRP 7 N 0.65 2.63 -0.04 2.20 0.52 0.33 0.16 118.94 125.38 1xca s TRP 7 Ca 0.24 -0.21 0.06 0.00 0.02 0.00 0.00 56.10 56.21 1xca s TRP 7 Cb -0.15 -1.52 -0.01 0.00 -1.15 0.00 0.00 33.47 30.64 1xca s TRP 7 CO 0.09 0.24 -0.21 0.21 0.02 0.00 0.00 176.95 177.30 1xca s LYS 8 N -1.24 1.98 0.18 4.98 2.20 -0.16 -2.85 119.74 124.83 1xca s LYS 8 Ca 0.14 -0.75 -0.30 0.00 -0.36 0.00 0.00 55.97 54.70 1xca s LYS 8 Cb -0.11 -1.77 -0.07 0.00 -1.51 0.00 0.00 37.83 34.37 1xca s LYS 8 CO 0.04 0.37 1.02 -1.50 -0.36 0.00 0.00 175.35 174.92 1xca s ILE 9 N -0.23 4.08 0.00 5.43 2.07 -1.26 -0.26 121.20 131.03 1xca s ILE 9 Ca 0.01 1.86 0.00 0.00 -1.41 0.00 0.00 60.65 61.11 1xca s ILE 9 Cb -0.11 -4.18 0.00 0.00 0.13 0.00 0.00 42.46 38.30 1xca s ILE 9 CO 0.01 0.35 0.00 2.30 -1.91 0.00 0.00 174.94 175.69 1xca n ILE 10 N 2.22 0.00 -3.88 2.00 -5.35 -0.02 -4.93 119.36 109.40 1xca n ILE 10 Ca 0.01 -0.26 -0.10 0.00 -0.27 0.00 0.00 62.75 62.12 1xca n ILE 10 Cb 0.47 0.82 -0.09 0.00 -1.74 0.00 0.00 39.64 39.10 1xca n ILE 10 CO 0.00 0.00 0.00 -0.60 -1.76 0.00 0.00 176.55 174.19 1xca s ARG 11 N -0.97 0.58 -0.28 6.28 6.06 -1.08 -4.98 118.95 124.56 1xca s ARG 11 Ca 0.00 -0.57 -0.17 0.00 -2.50 0.00 0.00 55.73 52.48 1xca s ARG 11 Cb 0.00 0.24 0.10 0.00 0.06 0.00 0.00 34.95 35.35 1xca s ARG 11 CO 0.00 -0.15 0.79 0.45 -2.50 0.00 0.00 175.30 173.89 1xca s SER 12 N -1.82 -0.78 -0.03 -2.12 0.15 -1.26 -1.35 113.70 106.48 1xca s SER 12 Ca -0.09 1.28 -0.04 0.00 0.70 0.00 0.00 55.95 57.81 1xca s SER 12 Cb -0.04 1.32 0.01 0.00 -1.71 0.00 0.00 66.02 65.60 1xca s SER 12 CO -0.02 -0.21 0.10 -0.70 1.20 0.00 0.00 173.24 173.61 1xca s GLU 13 N 1.35 0.14 -1.50 5.44 2.56 0.96 -4.91 118.70 122.73 1xca s GLU 13 Ca -0.08 0.10 -0.05 0.00 0.00 0.00 0.00 54.97 54.94 1xca s GLU 13 Cb -0.05 0.06 0.02 0.00 2.00 0.00 0.00 34.13 36.17 1xca s GLU 13 CO -0.16 -0.02 0.54 -1.71 -0.56 0.00 0.00 175.26 173.35 1xca n ASN 14 N 2.93 -5.55 -0.07 -1.70 5.15 -1.26 -1.85 115.26 112.90 1xca n ASN 14 Ca -0.13 -0.28 -0.12 0.00 -0.60 0.00 0.00 54.58 53.45 1xca n ASN 14 Cb 0.59 -4.51 -0.10 0.00 -0.53 0.00 0.00 39.78 35.23 1xca n ASN 14 CO 0.00 0.00 0.00 0.15 1.40 0.00 0.00 177.26 178.81 1xca h PHE 15 N -1.20 0.00 0.00 1.20 3.57 -1.91 -2.64 116.94 115.96 1xca h PHE 15 Ca -0.50 0.00 -0.00 0.00 3.53 0.00 0.00 57.97 60.99 1xca h PHE 15 Cb 1.35 0.00 -0.00 0.00 2.79 0.00 0.00 35.95 40.09 1xca h PHE 15 CO 0.57 0.84 -0.02 1.49 -2.23 0.00 0.00 178.31 178.96 1xca h GLU 16 N -1.00 0.00 -0.16 1.11 4.81 -2.00 -1.96 114.58 115.38 1xca h GLU 16 Ca -0.05 0.00 -0.07 0.00 -0.13 0.00 0.00 59.36 59.11 1xca h GLU 16 Cb 0.83 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 30.21 1xca h GLU 16 CO -0.03 0.02 -0.18 1.49 -0.73 0.00 0.00 179.01 179.57 1xca h GLU 17 N 0.00 0.40 -1.00 1.92 4.57 -1.98 -2.88 114.58 115.61 1xca h GLU 17 Ca -0.00 -0.22 0.15 0.00 -1.18 0.00 0.00 59.36 58.10 1xca h GLU 17 Cb 0.03 0.01 -0.09 0.00 -0.16 0.00 0.00 28.75 28.54 1xca h GLU 17 CO 0.00 0.79 0.62 1.25 -1.18 0.00 0.00 179.01 180.49 1xca h LEU 18 N 0.04 0.86 -0.93 1.64 5.85 -0.99 -0.69 115.31 121.10 1xca h LEU 18 Ca 0.02 0.07 0.02 0.00 0.84 0.00 0.00 57.88 58.83 1xca h LEU 18 Cb 0.73 -0.10 -0.05 0.00 0.37 0.00 0.00 40.66 41.61 1xca h LEU 18 CO 0.04 0.40 0.61 -0.07 -0.34 0.00 0.00 178.44 179.09 1xca h LEU 19 N 0.90 1.04 -1.22 2.25 3.38 -1.26 -1.85 115.31 118.55 1xca h LEU 19 Ca 0.53 -0.02 -0.03 0.00 0.09 0.00 0.00 57.88 58.45 1xca h LEU 19 Cb 0.65 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 41.12 1xca h LEU 19 CO -0.31 0.73 0.19 0.11 0.09 0.00 0.00 178.44 179.25 1xca h LYS 20 N 1.22 0.73 -0.01 1.13 1.57 -0.92 -0.01 116.57 120.27 1xca h LYS 20 Ca 0.35 -0.11 0.00 0.00 -1.87 0.00 0.00 60.65 59.02 1xca h LYS 20 Cb -0.08 -0.13 -0.00 0.00 0.08 0.00 0.00 32.23 32.10 1xca h LYS 20 CO -0.09 0.61 0.02 0.28 -0.57 0.00 0.00 179.45 179.70 1xca h VAL 21 N 0.72 0.31 0.00 0.50 2.07 -1.03 0.62 116.25 119.44 1xca h VAL 21 Ca 0.17 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.68 1xca h VAL 21 Cb 0.17 0.98 -0.00 0.00 -1.52 0.00 0.00 31.29 30.92 1xca h VAL 21 CO -0.01 0.00 -1.84 0.18 0.02 0.00 0.00 177.57 175.91 1xca n LEU 22 N -3.52 0.15 -1.81 2.57 4.77 -0.37 -4.96 117.00 113.82 1xca n LEU 22 Ca -0.03 0.06 -0.05 0.00 -0.03 0.00 0.00 56.01 55.96 1xca n LEU 22 Cb 0.10 0.01 0.02 0.00 -2.33 0.00 0.00 43.42 41.22 1xca n LEU 22 CO 0.24 -0.01 0.02 0.61 -1.33 0.00 0.00 177.39 176.92 1xca n GLY 23 N 1.27 0.25 3.83 -0.72 0.00 0.21 -5.04 105.19 104.98 1xca n GLY 23 Ca -0.04 -0.21 -0.30 0.00 0.00 0.00 0.00 46.02 45.47 1xca n GLY 23 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1xca s VAL 24 N -3.11 3.61 -0.82 1.61 1.01 -1.14 -4.85 120.40 116.71 1xca s VAL 24 Ca 0.05 0.52 -0.19 0.00 0.00 0.00 0.00 61.98 62.36 1xca s VAL 24 Cb -0.01 -3.34 -0.20 0.00 0.00 0.00 0.00 36.38 32.84 1xca s VAL 24 CO 0.21 -0.68 2.16 -3.20 0.00 0.00 0.00 175.10 173.59 1xca n ASN 25 N -3.19 0.49 -4.60 3.32 5.15 -1.26 -4.84 115.26 110.32 1xca n ASN 25 Ca 0.07 -1.41 -0.43 0.00 -0.60 0.00 0.00 54.58 52.21 1xca n ASN 25 Cb 0.55 -1.28 -0.03 0.00 -0.53 0.00 0.00 39.78 38.50 1xca n ASN 25 CO 0.00 0.00 0.00 0.54 1.40 0.00 0.00 177.26 179.20 1xca s VAL 26 N 9.99 3.40 0.00 3.44 0.11 -1.26 -1.51 120.40 134.57 1xca s VAL 26 Ca 0.92 0.41 0.00 0.00 -2.93 0.00 0.00 61.98 60.39 1xca s VAL 26 Cb -0.29 -3.52 0.00 0.00 -1.53 0.00 0.00 36.38 31.04 1xca s VAL 26 CO 0.22 -0.31 0.00 1.15 -3.33 0.00 0.00 175.10 172.83 1xca n MET 27 N 8.40 0.00 0.13 1.54 0.00 -1.26 -4.90 117.12 121.03 1xca n MET 27 Ca 0.24 0.00 0.01 0.00 0.00 0.00 0.00 57.70 57.95 1xca n MET 27 Cb 0.46 0.00 0.08 0.00 0.00 0.00 0.00 33.22 33.76 1xca n MET 27 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 175.97 175.90 1xca h LEU 28 N 0.00 0.00 -0.86 3.17 -0.00 -1.67 -3.33 115.31 112.62 1xca h LEU 28 Ca 0.00 0.00 0.22 0.00 -0.00 0.00 0.00 57.88 58.10 1xca h LEU 28 Cb 0.00 0.00 -0.13 0.00 -0.00 0.00 0.00 40.66 40.53 1xca h LEU 28 CO 0.00 0.59 0.27 0.08 -0.00 0.00 0.00 178.44 179.38 1xca h ARG 29 N 0.00 0.26 0.20 1.13 0.11 -1.90 0.58 114.38 114.76 1xca h ARG 29 Ca -0.01 -0.02 -0.01 0.00 0.10 0.00 0.00 59.98 60.05 1xca h ARG 29 Cb 1.33 -0.06 0.00 0.00 1.11 0.00 0.00 29.97 32.35 1xca h ARG 29 CO 0.08 0.17 -0.10 -0.22 0.10 0.00 0.00 179.97 180.00 1xca h LYS 30 N 0.27 -0.26 -0.85 0.08 1.63 -1.94 0.53 116.57 116.04 1xca h LYS 30 Ca 0.53 0.02 -0.02 0.00 -0.85 0.00 0.00 60.65 60.32 1xca h LYS 30 Cb 1.03 0.06 -0.04 0.00 -0.60 0.00 0.00 32.23 32.68 1xca h LYS 30 CO -0.60 -0.09 0.44 0.82 -3.45 0.00 0.00 179.45 176.57 1xca h ILE 31 N -0.37 1.26 0.03 2.00 1.08 -1.31 -1.84 117.51 118.35 1xca h ILE 31 Ca -0.03 -0.68 -0.25 0.00 -0.39 0.00 0.00 64.86 63.51 1xca h ILE 31 Cb 0.28 0.13 0.02 0.00 -3.07 0.00 0.00 36.82 34.19 1xca h ILE 31 CO 0.04 0.30 -1.01 0.00 -0.69 0.00 0.00 178.15 176.80 1xca h ALA 32 N 1.27 0.09 0.00 1.87 0.00 0.21 -3.12 119.26 119.58 1xca h ALA 32 Ca 0.30 -0.69 -0.00 0.00 0.00 0.00 0.00 54.91 54.52 1xca h ALA 32 Cb 0.08 0.07 -0.00 0.00 0.00 0.00 0.00 17.79 17.93 1xca h ALA 32 CO -0.04 0.62 -0.00 -0.24 0.00 0.00 0.00 179.25 179.59 1xca h VAL 33 N 0.27 0.01 -0.05 0.00 3.04 0.18 0.33 116.25 120.03 1xca h VAL 33 Ca -0.13 -0.44 -0.16 0.00 -1.01 0.00 0.00 66.70 64.95 1xca h VAL 33 Cb 1.68 1.44 -0.01 0.00 -2.01 0.00 0.00 31.29 32.38 1xca h VAL 33 CO 0.20 0.00 -0.70 0.00 -1.01 0.00 0.00 177.57 176.06 1xca h ALA 34 N 2.00 0.73 0.07 3.17 0.00 -1.28 0.76 119.26 124.70 1xca h ALA 34 Ca -0.00 -0.60 -0.24 0.00 0.00 0.00 0.00 54.91 54.07 1xca h ALA 34 Cb 0.44 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.13 1xca h ALA 34 CO 0.00 0.79 -1.26 0.00 0.00 0.00 0.00 179.25 178.78 1xca h ALA 35 N 1.10 0.21 0.00 0.00 0.00 -1.36 -3.34 119.26 115.88 1xca h ALA 35 Ca -0.02 -1.09 0.00 0.00 0.00 0.00 0.00 54.91 53.80 1xca h ALA 35 Cb 1.24 0.53 0.00 0.00 0.00 0.00 0.00 17.79 19.56 1xca h ALA 35 CO 0.11 0.74 0.00 0.00 0.00 0.00 0.00 179.25 180.10 1xca n ALA 36 N -3.07 2.21 0.23 0.00 0.00 0.11 -2.03 120.51 117.95 1xca n ALA 36 Ca -0.26 -0.12 0.12 0.00 0.00 0.00 0.00 53.44 53.18 1xca n ALA 36 Cb 0.80 -1.30 0.36 0.00 0.00 0.00 0.00 19.45 19.30 1xca n ALA 36 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 1xca h SER 37 N 0.00 0.00 -2.13 0.00 4.64 -0.96 -3.35 113.55 111.75 1xca h SER 37 Ca 0.00 0.00 -0.56 0.00 -0.47 0.00 0.00 61.79 60.76 1xca h SER 37 Cb 0.00 0.00 -0.41 0.00 -0.31 0.00 0.00 62.40 61.68 1xca h SER 37 CO 0.00 0.12 -0.86 2.29 -0.87 0.00 0.00 176.83 177.51 1xca n LYS 38 N -3.18 1.97 -2.88 4.77 2.85 -0.86 -4.99 118.16 115.84 1xca n LYS 38 Ca 0.02 -4.11 -0.42 0.00 -1.05 0.00 0.00 58.31 52.75 1xca n LYS 38 Cb 0.47 -1.89 -0.04 0.00 -0.65 0.00 0.00 35.03 32.92 1xca n LYS 38 CO 0.00 0.00 0.00 -2.14 -0.05 0.00 0.00 177.40 175.21 1xca s PRO 39 N -2.46 4.17 -0.27 -1.58 0.02 -1.26 -4.64 135.00 128.98 1xca s PRO 39 Ca 0.41 0.93 -0.17 0.00 0.02 0.00 0.00 61.00 62.20 1xca s PRO 39 Cb 0.24 -3.65 -0.03 0.00 0.02 0.00 0.00 34.50 31.08 1xca s PRO 39 CO -0.08 -0.54 0.46 0.00 -0.33 0.00 0.00 177.00 176.50 1xca s ALA 40 N 2.88 3.57 -0.22 -1.55 0.00 0.18 -4.37 121.76 122.26 1xca s ALA 40 Ca 0.35 -0.72 -0.12 0.00 0.00 0.00 0.00 51.96 51.48 1xca s ALA 40 Cb -0.15 -2.83 -0.05 0.00 0.00 0.00 0.00 23.12 20.09 1xca s ALA 40 CO 0.08 -0.75 0.22 0.08 0.00 0.00 0.00 175.76 175.39 1xca s VAL 41 N 2.23 5.33 -0.19 0.00 1.01 -1.13 -1.54 120.40 126.09 1xca s VAL 41 Ca 0.19 0.33 -0.01 0.00 0.00 0.00 0.00 61.98 62.48 1xca s VAL 41 Cb -0.16 -3.56 0.00 0.00 0.00 0.00 0.00 36.38 32.67 1xca s VAL 41 CO 0.10 0.34 -0.11 -0.70 0.00 0.00 0.00 175.10 174.72 1xca s GLU 42 N 0.98 3.23 0.05 2.72 2.12 -0.29 -0.51 118.70 126.99 1xca s GLU 42 Ca 0.11 -0.71 0.09 0.00 0.36 0.00 0.00 54.97 54.82 1xca s GLU 42 Cb -0.13 -2.79 -0.03 0.00 0.26 0.00 0.00 34.13 31.44 1xca s GLU 42 CO 0.04 -0.15 -0.26 0.42 -0.54 0.00 0.00 175.26 174.78 1xca s ILE 43 N 1.26 2.08 -0.17 -3.70 1.01 -0.87 -1.39 121.20 119.42 1xca s ILE 43 Ca 0.03 -1.41 -0.03 0.00 0.00 0.00 0.00 60.65 59.25 1xca s ILE 43 Cb -0.14 -1.79 0.05 0.00 0.01 0.00 0.00 42.46 40.59 1xca s ILE 43 CO -0.06 0.31 0.03 -0.54 0.00 0.00 0.00 174.94 174.68 1xca s LYS 44 N -1.33 0.63 -0.05 2.79 1.02 -0.40 -1.55 119.74 120.84 1xca s LYS 44 Ca 0.11 -0.31 0.04 0.00 0.02 0.00 0.00 55.97 55.83 1xca s LYS 44 Cb -0.10 -1.89 -0.02 0.00 -0.52 0.00 0.00 37.83 35.30 1xca s LYS 44 CO 0.02 -0.58 -0.15 -1.14 -0.92 0.00 0.00 175.35 172.58 1xca s GLN 45 N 1.89 2.55 -0.40 1.68 0.74 -1.26 -1.03 119.66 123.84 1xca s GLN 45 Ca 0.00 -0.72 0.03 0.00 0.05 0.00 0.00 55.36 54.72 1xca s GLN 45 Cb -0.16 -2.37 0.16 0.00 1.10 0.00 0.00 33.01 31.74 1xca s GLN 45 CO -0.08 0.57 0.33 -1.21 -0.55 0.00 0.00 175.29 174.36 1xca s GLU 46 N -0.60 0.80 7.15 1.67 2.02 0.05 -4.89 118.70 124.90 1xca s GLU 46 Ca 0.09 -1.75 0.00 0.00 0.02 0.00 0.00 54.97 53.33 1xca s GLU 46 Cb -0.11 -1.25 0.00 0.00 0.10 0.00 0.00 34.13 32.87 1xca s GLU 46 CO 0.01 -1.33 0.00 0.41 0.02 0.00 0.00 175.26 174.37 1xca n GLY 47 N 3.26 1.93 0.04 -1.39 0.00 -1.26 -2.29 105.19 105.49 1xca n GLY 47 Ca 0.23 -0.42 0.14 0.00 0.00 0.00 0.00 46.02 45.97 1xca n GLY 47 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1xca n ASP 48 N 7.38 0.26 -4.66 1.61 9.92 -1.26 -4.81 116.55 125.00 1xca n ASP 48 Ca 0.00 -0.13 -0.40 0.00 -0.53 0.00 0.00 54.79 53.74 1xca n ASP 48 Cb 0.00 -0.18 -0.06 0.00 -0.64 0.00 0.00 41.12 40.24 1xca n ASP 48 CO 0.00 0.00 0.00 -0.89 0.13 0.00 0.00 177.20 176.44 1xca s THR 49 N -2.74 5.04 0.04 -3.53 2.01 -0.97 -0.90 115.64 114.59 1xca s THR 49 Ca 0.21 1.11 0.09 0.00 0.31 0.00 0.00 61.69 63.40 1xca s THR 49 Cb 0.19 -3.91 -0.03 0.00 0.01 0.00 0.00 72.50 68.77 1xca s THR 49 CO 0.53 0.12 -0.25 -0.36 -0.69 0.00 0.00 174.62 173.97 1xca s PHE 50 N 1.90 2.18 -0.20 4.92 0.40 -0.15 -0.77 117.98 126.26 1xca s PHE 50 Ca 0.27 -0.40 0.00 0.00 -0.60 0.00 0.00 56.93 56.20 1xca s PHE 50 Cb -0.16 -1.31 0.05 0.00 0.51 0.00 0.00 43.02 42.11 1xca s PHE 50 CO 0.10 0.10 -0.06 -0.47 0.70 0.00 0.00 175.22 175.59 1xca s TYR 51 N -0.78 2.06 -0.19 0.36 5.04 -0.20 -2.24 117.35 121.40 1xca s TYR 51 Ca 0.10 -1.41 0.01 0.00 -2.44 0.00 0.00 57.07 53.33 1xca s TYR 51 Cb -0.10 -1.46 0.04 0.00 0.35 0.00 0.00 41.96 40.79 1xca s TYR 51 CO 0.02 -0.70 -0.12 0.42 -1.34 0.00 0.00 175.55 173.82 1xca s ILE 52 N 1.51 1.74 -0.17 3.14 1.01 -0.62 -1.28 121.20 126.54 1xca s ILE 52 Ca -0.02 -0.99 -0.05 0.00 0.00 0.00 0.00 60.65 59.59 1xca s ILE 52 Cb -0.17 -1.75 -0.03 0.00 0.01 0.00 0.00 42.46 40.53 1xca s ILE 52 CO -0.07 0.26 -0.00 -0.75 0.00 0.00 0.00 174.94 174.37 1xca s LYS 53 N 1.37 3.76 -0.36 2.79 2.20 -0.49 -0.85 119.74 128.16 1xca s LYS 53 Ca 0.00 -0.47 0.01 0.00 -0.36 0.00 0.00 55.97 55.16 1xca s LYS 53 Cb -0.15 -3.02 0.10 0.00 -1.51 0.00 0.00 37.83 33.25 1xca s LYS 53 CO -0.09 0.24 0.10 0.99 -0.36 0.00 0.00 175.35 176.22 1xca s THR 54 N 0.41 2.65 0.09 3.43 2.01 -0.09 -1.14 115.64 123.00 1xca s THR 54 Ca -0.02 -2.21 0.06 0.00 0.31 0.00 0.00 61.69 59.83 1xca s THR 54 Cb -0.14 -2.88 -0.04 0.00 0.01 0.00 0.00 72.50 69.45 1xca s THR 54 CO 0.02 -0.61 -0.06 -0.55 -0.69 0.00 0.00 174.62 172.73 1xca s SER 55 N 1.24 4.63 0.00 3.53 0.15 -0.59 -2.47 113.70 120.19 1xca s SER 55 Ca 0.09 -0.29 0.00 0.00 0.70 0.00 0.00 55.95 56.45 1xca s SER 55 Cb -0.20 -0.98 0.00 0.00 -1.71 0.00 0.00 66.02 63.12 1xca s SER 55 CO -0.06 0.19 0.00 0.35 1.20 0.00 0.00 173.24 174.91 1xca n THR 56 N 0.74 0.00 -3.11 6.45 -2.24 -0.24 0.49 114.28 116.37 1xca n THR 56 Ca -0.13 0.00 -0.34 0.00 -2.27 0.00 0.00 64.05 61.32 1xca n THR 56 Cb 0.52 0.00 -0.06 0.00 -2.10 0.00 0.00 70.33 68.69 1xca n THR 56 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 1xca s THR 57 N -1.58 4.62 0.00 4.28 -4.23 -1.26 -3.86 115.64 113.61 1xca s THR 57 Ca 0.00 1.10 0.00 0.00 -1.18 0.00 0.00 61.69 61.61 1xca s THR 57 Cb 0.00 -3.70 0.00 0.00 1.34 0.00 0.00 72.50 70.14 1xca s THR 57 CO 0.00 -0.05 0.00 1.33 -0.54 0.00 0.00 174.62 175.36 1xca n VAL 58 N 0.02 0.00 -3.77 2.29 0.24 -1.26 -4.91 118.33 110.93 1xca n VAL 58 Ca 0.02 0.00 -0.13 0.00 -2.04 0.00 0.00 64.34 62.19 1xca n VAL 58 Cb 0.52 -0.43 -0.11 0.00 -1.47 0.00 0.00 33.84 32.36 1xca n VAL 58 CO 0.00 0.00 0.00 -0.60 -2.14 0.00 0.00 176.83 174.09 1xca s ARG 59 N -0.86 0.40 -0.22 7.34 3.52 -1.25 -5.14 118.95 122.74 1xca s ARG 59 Ca 0.00 0.30 -0.06 0.00 -0.13 0.00 0.00 55.73 55.83 1xca s ARG 59 Cb 0.00 0.19 0.11 0.00 -1.56 0.00 0.00 34.95 33.69 1xca s ARG 59 CO 0.00 -0.07 0.45 0.99 -0.81 0.00 0.00 175.30 175.86 1xca s THR 60 N -0.12 -0.70 0.09 4.11 2.01 -1.26 -1.08 115.64 118.69 1xca s THR 60 Ca -0.03 0.11 0.08 0.00 0.31 0.00 0.00 61.69 62.16 1xca s THR 60 Cb -0.03 -0.74 -0.03 0.00 0.01 0.00 0.00 72.50 71.70 1xca s THR 60 CO 0.01 0.03 -0.21 0.42 -0.69 0.00 0.00 174.62 174.18 1xca s THR 61 N 2.65 1.76 -0.01 -0.82 -4.23 -1.03 -5.01 115.64 108.94 1xca s THR 61 Ca 0.01 -1.50 0.02 0.00 -1.18 0.00 0.00 61.69 59.04 1xca s THR 61 Cb -0.13 -1.58 -0.00 0.00 1.34 0.00 0.00 72.50 72.13 1xca s THR 61 CO -0.14 0.00 -0.07 -1.61 -0.54 0.00 0.00 174.62 172.26 1xca s GLU 62 N -1.78 0.65 0.07 3.99 2.02 -1.26 -0.91 118.70 121.48 1xca s GLU 62 Ca 0.07 -0.24 0.07 0.00 0.02 0.00 0.00 54.97 54.89 1xca s GLU 62 Cb -0.10 -0.64 -0.03 0.00 0.10 0.00 0.00 34.13 33.47 1xca s GLU 62 CO 0.04 0.11 -0.18 0.96 0.02 0.00 0.00 175.26 176.21 1xca s ILE 63 N 0.03 1.46 -0.05 -1.63 -4.36 -0.03 -5.00 121.20 111.62 1xca s ILE 63 Ca -0.00 -1.34 0.01 0.00 -0.26 0.00 0.00 60.65 59.05 1xca s ILE 63 Cb -0.05 -1.33 0.02 0.00 1.25 0.00 0.00 42.46 42.35 1xca s ILE 63 CO -0.00 -0.05 -0.03 0.20 0.24 0.00 0.00 174.94 175.30 1xca s ASN 64 N -1.63 0.99 0.24 4.36 0.01 -1.26 -1.58 114.94 116.07 1xca s ASN 64 Ca 0.04 -0.11 -0.18 0.00 -0.71 0.00 0.00 52.86 51.89 1xca s ASN 64 Cb -0.09 -0.43 0.02 0.00 0.41 0.00 0.00 41.25 41.16 1xca s ASN 64 CO 0.03 -0.08 0.59 0.72 -1.51 0.00 0.00 177.10 176.85 1xca s PHE 65 N 1.07 -0.05 -0.06 2.20 -0.71 -0.95 -5.00 117.98 114.49 1xca s PHE 65 Ca -0.09 -0.34 0.03 0.00 -1.04 0.00 0.00 56.93 55.50 1xca s PHE 65 Cb -0.14 0.46 0.00 0.00 -1.21 0.00 0.00 43.02 42.14 1xca s PHE 65 CO -0.01 -1.05 -0.15 0.21 -1.34 0.00 0.00 175.22 172.88 1xca s LYS 66 N -3.92 1.81 -0.12 1.99 2.20 -1.26 -0.98 119.74 119.47 1xca s LYS 66 Ca 0.13 -0.54 -0.36 0.00 -0.36 0.00 0.00 55.97 54.84 1xca s LYS 66 Cb -0.03 -1.52 -0.13 0.00 -1.51 0.00 0.00 37.83 34.64 1xca s LYS 66 CO 0.03 0.14 1.80 0.28 -0.36 0.00 0.00 175.35 177.25 1xca n VAL 67 N 3.45 0.44 0.00 4.02 0.31 -0.08 -1.24 118.33 125.24 1xca n VAL 67 Ca -0.20 -0.08 0.00 0.00 -0.01 0.00 0.00 64.34 64.05 1xca n VAL 67 Cb 0.53 -1.63 0.00 0.00 -0.91 0.00 0.00 33.84 31.82 1xca n VAL 67 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1xca n GLY 68 N 4.21 0.62 3.37 2.92 0.00 -0.15 -5.01 105.19 111.15 1xca n GLY 68 Ca 0.23 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.90 1xca n GLY 68 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1xca s GLU 69 N -0.94 3.49 0.78 1.61 2.02 -0.37 -4.94 118.70 120.36 1xca s GLU 69 Ca 0.00 -0.58 -0.14 0.00 0.02 0.00 0.00 54.97 54.27 1xca s GLU 69 Cb 0.00 -3.05 0.05 0.00 0.10 0.00 0.00 34.13 31.23 1xca s GLU 69 CO 0.00 -0.11 1.11 0.39 0.02 0.00 0.00 175.26 176.67 1xca n GLU 70 N 4.57 0.30 -3.48 1.61 1.02 -1.26 -4.47 120.64 118.93 1xca n GLU 70 Ca -0.18 0.17 -0.12 0.00 -0.02 0.00 0.00 57.16 57.01 1xca n GLU 70 Cb 0.51 -2.36 -0.03 0.00 -0.02 0.00 0.00 31.44 29.54 1xca n GLU 70 CO 0.00 0.00 0.00 -0.59 1.18 0.00 0.00 177.13 177.72 1xca s PHE 71 N -2.01 -0.50 0.12 -0.32 -0.71 -0.61 -4.97 117.98 108.98 1xca s PHE 71 Ca 0.73 0.53 0.01 0.00 -1.04 0.00 0.00 56.93 57.16 1xca s PHE 71 Cb -0.31 0.51 -0.04 0.00 -1.21 0.00 0.00 43.02 41.97 1xca s PHE 71 CO 0.51 -0.65 0.27 -1.83 -1.34 0.00 0.00 175.22 172.17 1xca s GLU 72 N -2.66 3.45 0.00 1.99 -1.05 -1.26 0.63 118.70 119.79 1xca s GLU 72 Ca -0.01 -0.52 0.00 0.00 -0.15 0.00 0.00 54.97 54.29 1xca s GLU 72 Cb -0.01 -2.98 0.00 0.00 -0.44 0.00 0.00 34.13 30.70 1xca s GLU 72 CO -0.05 0.54 0.00 -0.85 0.95 0.00 0.00 175.26 175.86 1xca n GLU 73 N -0.24 0.00 -3.67 -4.83 0.28 0.12 -4.92 120.64 107.38 1xca n GLU 73 Ca -0.06 0.00 -0.14 0.00 -0.16 0.00 0.00 57.16 56.80 1xca n GLU 73 Cb 0.53 0.00 -0.08 0.00 1.43 0.00 0.00 31.44 33.32 1xca n GLU 73 CO 0.00 0.00 0.00 -0.65 -0.16 0.00 0.00 177.13 176.32 1xca s GLN 74 N 4.09 0.70 0.76 3.44 -0.21 -1.26 -3.06 119.66 124.13 1xca s GLN 74 Ca 0.00 0.53 -0.12 0.00 0.02 0.00 0.00 55.36 55.79 1xca s GLN 74 Cb 0.00 0.34 0.05 0.00 1.00 0.00 0.00 33.01 34.40 1xca s GLN 74 CO 0.00 -0.13 1.12 0.95 -2.12 0.00 0.00 175.29 175.11 1xca s THR 75 N -0.19 2.92 0.55 -0.19 -4.23 0.10 -4.87 115.64 109.72 1xca s THR 75 Ca -0.04 0.30 0.22 0.00 -1.18 0.00 0.00 61.69 60.99 1xca s THR 75 Cb -0.03 -3.23 0.22 0.00 1.34 0.00 0.00 72.50 70.79 1xca s THR 75 CO 0.03 -0.39 1.65 0.58 -0.54 0.00 0.00 174.62 175.95 1xca h VAL 76 N -0.90 0.00 -0.08 2.29 2.07 -2.00 0.21 116.25 117.84 1xca h VAL 76 Ca -0.46 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.06 1xca h VAL 76 Cb 1.28 0.49 0.00 0.00 -1.52 0.00 0.00 31.29 31.54 1xca h VAL 76 CO 0.63 0.00 0.00 -0.90 0.02 0.00 0.00 177.57 177.32 1xca n ASP 77 N -2.66 2.86 0.00 0.57 5.75 -1.26 -4.97 116.55 116.84 1xca n ASP 77 Ca -0.01 -1.90 0.00 0.00 -0.01 0.00 0.00 54.79 52.87 1xca n ASP 77 Cb 0.47 -0.04 0.00 0.00 -1.03 0.00 0.00 41.12 40.52 1xca n ASP 77 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1xca n GLY 78 N 1.22 0.65 3.71 6.12 0.00 0.73 -5.07 105.19 112.55 1xca n GLY 78 Ca 0.13 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.74 1xca n GLY 78 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1xca s ARG 79 N -0.94 4.56 0.32 1.61 0.52 -1.25 -4.74 118.95 119.02 1xca s ARG 79 Ca 0.00 1.36 -0.29 0.00 -0.52 0.00 0.00 55.73 56.29 1xca s ARG 79 Cb 0.00 -3.45 -0.10 0.00 0.52 0.00 0.00 34.95 31.92 1xca s ARG 79 CO 0.00 -0.01 1.33 -1.25 0.02 0.00 0.00 175.30 175.39 1xca s PRO 80 N 0.87 4.34 0.01 3.54 0.04 -1.26 0.03 135.00 142.56 1xca s PRO 80 Ca 0.50 2.23 -0.14 0.00 0.04 0.00 0.00 61.00 63.63 1xca s PRO 80 Cb -0.21 -3.08 0.02 0.00 0.04 0.00 0.00 34.50 31.27 1xca s PRO 80 CO 0.27 -0.23 0.30 0.00 0.04 0.00 0.00 177.00 177.38 1xca s LYS 82 N -1.88 4.37 0.16 0.00 2.47 0.47 -0.70 119.74 124.63 1xca s LYS 82 Ca -0.10 0.62 0.10 0.00 -1.56 0.00 0.00 55.97 55.03 1xca s LYS 82 Cb -0.03 -3.45 -0.04 0.00 -1.46 0.00 0.00 37.83 32.85 1xca s LYS 82 CO 0.01 0.10 -0.22 -1.12 0.16 0.00 0.00 175.35 174.27 1xca s SER 83 N 0.73 3.04 -0.03 1.43 0.01 0.20 -0.92 113.70 118.16 1xca s SER 83 Ca 0.30 -0.83 -0.01 0.00 1.31 0.00 0.00 55.95 56.72 1xca s SER 83 Cb -0.16 -0.20 0.03 0.00 0.21 0.00 0.00 66.02 65.90 1xca s SER 83 CO 0.13 0.07 0.04 -0.22 0.41 0.00 0.00 173.24 173.67 1xca s LEU 84 N -2.50 0.59 -0.22 2.44 2.96 -0.26 -1.57 118.68 120.11 1xca s LEU 84 Ca 0.16 0.05 -0.09 0.00 -0.22 0.00 0.00 54.13 54.03 1xca s LEU 84 Cb -0.08 -0.14 -0.04 0.00 0.50 0.00 0.00 46.19 46.43 1xca s LEU 84 CO 0.08 -0.19 0.11 -0.69 -1.32 0.00 0.00 176.35 174.34 1xca s VAL 85 N 1.67 5.05 0.19 1.68 1.01 -1.26 -1.53 120.40 127.21 1xca s VAL 85 Ca -0.01 0.07 0.11 0.00 0.00 0.00 0.00 61.98 62.15 1xca s VAL 85 Cb -0.13 -3.33 -0.04 0.00 0.00 0.00 0.00 36.38 32.88 1xca s VAL 85 CO -0.03 0.39 -0.23 -0.54 0.00 0.00 0.00 175.10 174.69 1xca s LYS 86 N 0.85 1.48 -0.23 2.72 -0.14 -0.64 -0.98 119.74 122.81 1xca s LYS 86 Ca 0.06 -1.51 -0.17 0.00 -1.36 0.00 0.00 55.97 52.99 1xca s LYS 86 Cb -0.13 -1.77 -0.03 0.00 -1.68 0.00 0.00 37.83 34.21 1xca s LYS 86 CO 0.03 0.38 0.46 -1.58 -0.76 0.00 0.00 175.35 173.87 1xca s TRP 87 N -1.72 3.32 -0.12 3.18 0.52 -1.26 -0.59 118.94 122.28 1xca s TRP 87 Ca 0.20 0.63 -0.28 0.00 0.02 0.00 0.00 56.10 56.67 1xca s TRP 87 Cb -0.08 -2.62 -0.24 0.00 -1.15 0.00 0.00 33.47 29.38 1xca s TRP 87 CO 0.09 -0.14 0.82 0.93 0.02 0.00 0.00 176.95 178.67 1xca h GLU 88 N 7.69 -0.00 0.00 4.98 4.39 -0.76 -3.48 114.58 127.39 1xca h GLU 88 Ca -0.33 0.00 -0.18 0.00 0.34 0.00 0.00 59.36 59.19 1xca h GLU 88 Cb 1.15 0.00 -0.04 0.00 -0.10 0.00 0.00 28.75 29.76 1xca h GLU 88 CO 0.71 0.89 -0.11 -1.13 -1.16 0.00 0.00 179.01 178.21 1xca n SER 89 N -4.65 -0.75 0.11 1.42 3.41 -1.00 -4.99 113.62 107.17 1xca n SER 89 Ca -0.09 -2.14 0.09 0.00 -0.26 0.00 0.00 58.87 56.46 1xca n SER 89 Cb 0.43 1.44 0.42 0.00 -0.26 0.00 0.00 64.21 66.24 1xca n SER 89 CO 0.00 0.00 0.00 -1.84 -0.16 0.00 0.00 175.04 173.04 1xca n GLU 90 N -0.35 0.11 -0.23 4.33 0.28 -1.26 -2.64 120.64 120.88 1xca n GLU 90 Ca 0.01 0.53 0.02 0.00 -0.16 0.00 0.00 57.16 57.56 1xca n GLU 90 Cb 0.35 -1.81 0.03 0.00 1.43 0.00 0.00 31.44 31.44 1xca n GLU 90 CO 0.00 0.00 0.00 0.27 -0.16 0.00 0.00 177.13 177.24 1xca n ASN 91 N -2.03 0.74 -3.75 -1.84 0.23 -1.26 -4.52 115.26 102.83 1xca n ASN 91 Ca 0.00 -2.01 -0.18 0.00 -0.53 0.00 0.00 54.58 51.86 1xca n ASN 91 Cb 0.08 -0.18 -0.17 0.00 -2.08 0.00 0.00 39.78 37.43 1xca n ASN 91 CO 0.00 0.00 0.00 -0.75 -0.93 0.00 0.00 177.26 175.58 1xca s LYS 92 N -0.75 0.13 0.20 -3.83 2.20 -1.08 -1.31 119.74 115.30 1xca s LYS 92 Ca 0.07 0.21 0.11 0.00 -0.36 0.00 0.00 55.97 56.01 1xca s LYS 92 Cb 0.06 -0.50 -0.04 0.00 -1.51 0.00 0.00 37.83 35.84 1xca s LYS 92 CO 0.01 -0.23 -0.24 0.00 -0.36 0.00 0.00 175.35 174.53 1xca s MET 93 N 1.55 1.52 -0.07 4.03 0.23 0.25 -0.01 119.30 126.81 1xca s MET 93 Ca -0.03 -1.54 0.00 0.00 -1.03 0.00 0.00 55.69 53.10 1xca s MET 93 Cb -0.13 -1.83 0.02 0.00 -1.53 0.00 0.00 34.83 31.36 1xca s MET 93 CO -0.03 0.39 -0.06 0.08 -2.03 0.00 0.00 175.02 173.38 1xca s VAL 94 N -1.73 0.72 -0.24 5.16 1.01 0.24 -1.10 120.40 124.46 1xca s VAL 94 Ca 0.21 -0.17 -0.09 0.00 0.00 0.00 0.00 61.98 61.93 1xca s VAL 94 Cb -0.08 -0.75 -0.04 0.00 0.00 0.00 0.00 36.38 35.51 1xca s VAL 94 CO 0.10 0.29 0.12 0.00 0.00 0.00 0.00 175.10 175.61 1xca s GLU 96 N 1.32 3.80 0.08 0.00 -1.05 -0.58 -1.97 118.70 120.30 1xca s GLU 96 Ca 0.06 -0.34 0.05 0.00 -0.15 0.00 0.00 54.97 54.59 1xca s GLU 96 Cb -0.15 -3.15 -0.03 0.00 -0.44 0.00 0.00 34.13 30.36 1xca s GLU 96 CO 0.05 0.37 -0.13 1.14 0.95 0.00 0.00 175.26 177.64 1xca s GLN 97 N 0.09 0.83 -0.02 -4.83 -2.07 -1.24 -1.10 119.66 111.33 1xca s GLN 97 Ca 0.05 -1.00 0.00 0.00 -1.82 0.00 0.00 55.36 52.59 1xca s GLN 97 Cb -0.12 -0.77 0.02 0.00 -1.09 0.00 0.00 33.01 31.05 1xca s GLN 97 CO 0.01 0.16 0.01 0.15 -1.32 0.00 0.00 175.29 174.30 1xca s LYS 98 N -1.97 0.10 0.24 9.60 -0.14 -0.10 -4.49 119.74 122.98 1xca s LYS 98 Ca -0.00 0.07 -0.31 0.00 -1.36 0.00 0.00 55.97 54.37 1xca s LYS 98 Cb -0.08 -0.25 -0.13 0.00 -1.68 0.00 0.00 37.83 35.68 1xca s LYS 98 CO 0.02 -0.09 1.47 1.28 -0.76 0.00 0.00 175.35 177.28 1xca n LEU 99 N 3.74 3.36 0.07 3.17 4.77 -1.26 -0.40 117.00 130.45 1xca n LEU 99 Ca -0.22 1.13 -0.03 0.00 -0.03 0.00 0.00 56.01 56.87 1xca n LEU 99 Cb 0.54 -1.46 -0.01 0.00 -2.33 0.00 0.00 43.42 40.15 1xca n LEU 99 CO 0.24 -0.33 0.31 -0.07 -1.33 0.00 0.00 177.39 176.21 1xca h LEU 100 N 4.62 -0.15 -7.65 2.23 3.38 -1.80 -3.44 115.31 112.50 1xca h LEU 100 Ca -0.45 0.01 -0.60 0.00 0.09 0.00 0.00 57.88 56.92 1xca h LEU 100 Cb 1.26 0.04 -0.38 0.00 0.09 0.00 0.00 40.66 41.67 1xca h LEU 100 CO 0.79 -0.07 -0.79 -0.75 0.09 0.00 0.00 178.44 177.71 1xca s LYS 101 N -2.65 1.65 0.00 1.13 2.47 -1.26 -5.06 119.74 116.02 1xca s LYS 101 Ca -0.03 -0.90 0.00 0.00 -1.56 0.00 0.00 55.97 53.48 1xca s LYS 101 Cb 0.00 -2.49 0.00 0.00 -1.46 0.00 0.00 37.83 33.89 1xca s LYS 101 CO 0.08 -0.55 0.00 0.41 0.16 0.00 0.00 175.35 175.45 1xca n GLY 102 N 4.70 0.56 3.53 5.54 0.00 -1.26 -5.00 105.19 113.26 1xca n GLY 102 Ca -0.12 -1.59 -0.17 0.00 0.00 0.00 0.00 46.02 44.14 1xca n GLY 102 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1xca s GLU 103 N -2.00 1.01 0.00 1.61 2.12 -1.26 -4.99 118.70 115.18 1xca s GLU 103 Ca 0.00 0.38 0.00 0.00 0.36 0.00 0.00 54.97 55.71 1xca s GLU 103 Cb 0.00 0.48 0.00 0.00 0.26 0.00 0.00 34.13 34.87 1xca s GLU 103 CO 0.00 -0.28 0.00 0.41 -0.54 0.00 0.00 175.26 174.85 1xca n GLY 104 N 1.25 -1.52 3.77 -1.50 0.00 -1.26 -5.14 105.19 100.79 1xca n GLY 104 Ca -0.18 -1.04 -0.40 0.00 0.00 0.00 0.00 46.02 44.40 1xca n GLY 104 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1xca s PRO 105 N -1.39 4.02 0.06 1.61 0.04 -1.26 -4.94 135.00 133.13 1xca s PRO 105 Ca 0.00 2.38 -0.31 0.00 0.04 0.00 0.00 61.00 63.11 1xca s PRO 105 Cb 0.00 -2.87 -0.07 0.00 0.04 0.00 0.00 34.50 31.61 1xca s PRO 105 CO 0.00 -0.53 1.39 0.21 0.04 0.00 0.00 177.00 178.11 1xca s LYS 106 N -2.16 4.31 0.43 4.56 2.47 -1.26 -4.82 119.74 123.27 1xca s LYS 106 Ca 0.55 2.01 0.05 0.00 -1.56 0.00 0.00 55.97 57.01 1xca s LYS 106 Cb -0.43 -3.42 -0.06 0.00 -1.46 0.00 0.00 37.83 32.47 1xca s LYS 106 CO 0.57 -0.49 0.02 0.95 0.16 0.00 0.00 175.35 176.55 1xca s THR 107 N 1.73 1.67 0.01 3.43 -4.23 -1.26 0.21 115.64 117.19 1xca s THR 107 Ca 0.64 -2.00 -0.29 0.00 -1.18 0.00 0.00 61.69 58.86 1xca s THR 107 Cb -0.34 -2.74 0.11 0.00 1.34 0.00 0.00 72.50 70.88 1xca s THR 107 CO 0.29 0.00 1.25 -0.94 -0.54 0.00 0.00 174.62 174.68 1xca s SER 108 N -3.73 -0.05 -0.19 3.99 1.04 -1.12 -3.61 113.70 110.03 1xca s SER 108 Ca 0.27 -0.20 -0.14 0.00 0.48 0.00 0.00 55.95 56.36 1xca s SER 108 Cb 0.07 0.20 0.06 0.00 0.10 0.00 0.00 66.02 66.45 1xca s SER 108 CO 0.14 -0.37 0.49 -1.66 0.98 0.00 0.00 173.24 172.82 1xca s TRP 109 N -2.38 -0.64 0.21 5.02 1.48 -0.83 -2.40 118.94 119.40 1xca s TRP 109 Ca 0.18 1.43 0.08 0.00 -1.06 0.00 0.00 56.10 56.73 1xca s TRP 109 Cb 0.03 0.28 -0.04 0.00 -1.16 0.00 0.00 33.47 32.57 1xca s TRP 109 CO -0.02 -0.33 -0.02 0.95 -4.06 0.00 0.00 176.95 173.47 1xca s THR 110 N 0.84 3.53 -0.08 0.66 -4.23 -0.47 -0.12 115.64 115.78 1xca s THR 110 Ca -0.05 -1.63 -0.04 0.00 -1.18 0.00 0.00 61.69 58.80 1xca s THR 110 Cb -0.05 -2.81 0.04 0.00 1.34 0.00 0.00 72.50 71.02 1xca s THR 110 CO -0.07 -0.20 0.19 -0.32 -0.54 0.00 0.00 174.62 173.68 1xca s MET 111 N -3.17 0.14 0.03 3.99 1.75 -0.26 -2.38 119.30 119.40 1xca s MET 111 Ca 0.28 0.44 -0.15 0.00 -1.25 0.00 0.00 55.69 55.02 1xca s MET 111 Cb -0.08 -0.16 0.02 0.00 2.84 0.00 0.00 34.83 37.45 1xca s MET 111 CO 0.18 -0.17 0.32 -1.83 -0.65 0.00 0.00 175.02 172.87 1xca s GLU 112 N 1.23 0.79 0.07 4.11 -1.05 -0.29 -0.58 118.70 122.98 1xca s GLU 112 Ca -0.09 -0.41 0.03 0.00 -0.15 0.00 0.00 54.97 54.35 1xca s GLU 112 Cb -0.11 0.34 -0.04 0.00 -0.44 0.00 0.00 34.13 33.88 1xca s GLU 112 CO -0.07 -0.25 0.04 -1.17 0.95 0.00 0.00 175.26 174.76 1xca s LEU 113 N -1.88 3.65 0.35 1.83 2.96 -0.43 -0.21 118.68 124.96 1xca s LEU 113 Ca -0.07 -0.06 0.08 0.00 -0.22 0.00 0.00 54.13 53.85 1xca s LEU 113 Cb -0.02 -2.32 -0.03 0.00 0.50 0.00 0.00 46.19 44.33 1xca s LEU 113 CO -0.01 0.19 0.26 0.42 -1.32 0.00 0.00 176.35 175.89 1xca s THR 114 N -1.32 3.25 0.45 3.68 -4.23 -0.54 -4.88 115.64 112.05 1xca s THR 114 Ca 0.27 -1.46 0.12 0.00 -1.18 0.00 0.00 61.69 59.43 1xca s THR 114 Cb -0.12 -3.10 0.23 0.00 1.34 0.00 0.00 72.50 70.85 1xca s THR 114 CO 0.19 -0.15 2.05 -1.13 -0.54 0.00 0.00 174.62 175.04 1xca h ASN 115 N 1.30 0.18 0.35 3.99 -0.73 -2.00 -0.74 115.58 117.93 1xca h ASN 115 Ca -0.44 -0.02 0.00 0.00 1.87 0.00 0.00 56.30 57.72 1xca h ASN 115 Cb 1.25 -0.05 0.00 0.00 0.27 0.00 0.00 38.32 39.80 1xca h ASN 115 CO 0.60 0.21 0.00 0.47 -0.37 0.00 0.00 177.43 178.34 1xca n ASP 116 N -4.43 0.00 -0.36 1.15 8.00 -1.26 -4.87 116.55 114.78 1xca n ASP 116 Ca -0.01 0.17 0.00 0.00 0.71 0.00 0.00 54.79 55.66 1xca n ASP 116 Cb 0.14 -0.34 0.00 0.00 -0.02 0.00 0.00 41.12 40.90 1xca n ASP 116 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1xca n GLY 117 N 0.04 0.81 3.47 0.44 0.00 -0.28 -5.06 105.19 104.60 1xca n GLY 117 Ca 0.06 -0.73 -0.31 0.00 0.00 0.00 0.00 46.02 45.05 1xca n GLY 117 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1xca s GLU 118 N -4.66 2.11 -0.40 1.61 2.02 -1.26 -4.20 118.70 113.92 1xca s GLU 118 Ca 0.00 -0.96 -0.14 0.00 0.02 0.00 0.00 54.97 53.89 1xca s GLU 118 Cb 0.00 -2.21 0.03 0.00 0.10 0.00 0.00 34.13 32.05 1xca s GLU 118 CO 0.00 0.54 0.28 -1.17 0.02 0.00 0.00 175.26 174.93 1xca s LEU 119 N -1.44 5.03 -0.27 1.80 2.96 -0.60 -1.47 118.68 124.69 1xca s LEU 119 Ca 0.15 -0.99 -0.13 0.00 -0.22 0.00 0.00 54.13 52.94 1xca s LEU 119 Cb -0.11 -2.11 -0.04 0.00 0.50 0.00 0.00 46.19 44.43 1xca s LEU 119 CO 0.05 -0.45 0.28 -0.63 -1.32 0.00 0.00 176.35 174.29 1xca s ILE 120 N 1.63 5.25 -0.23 6.68 1.01 0.71 -0.47 121.20 135.77 1xca s ILE 120 Ca 0.04 0.37 0.02 0.00 0.00 0.00 0.00 60.65 61.08 1xca s ILE 120 Cb -0.20 -3.61 0.05 0.00 0.01 0.00 0.00 42.46 38.71 1xca s ILE 120 CO 0.08 0.21 -0.12 -0.22 0.00 0.00 0.00 174.94 174.90 1xca s LEU 121 N 1.85 2.82 0.19 2.97 2.96 -0.69 -1.14 118.68 127.64 1xca s LEU 121 Ca 0.11 -1.11 0.08 0.00 -0.22 0.00 0.00 54.13 52.99 1xca s LEU 121 Cb -0.16 -1.41 -0.04 0.00 0.50 0.00 0.00 46.19 45.08 1xca s LEU 121 CO 0.10 -0.15 -0.01 0.42 -1.32 0.00 0.00 176.35 175.39 1xca s THR 122 N 1.24 3.64 -0.06 3.68 -4.23 -1.00 -1.25 115.64 117.66 1xca s THR 122 Ca -0.04 -1.50 -0.01 0.00 -1.18 0.00 0.00 61.69 58.95 1xca s THR 122 Cb -0.18 -2.84 0.03 0.00 1.34 0.00 0.00 72.50 70.85 1xca s THR 122 CO -0.07 -0.14 0.01 -0.04 -0.54 0.00 0.00 174.62 173.83 1xca s MET 123 N -3.02 0.48 -0.28 3.99 -1.94 0.32 -1.36 119.30 117.49 1xca s MET 123 Ca 0.28 0.14 0.03 0.00 -1.71 0.00 0.00 55.69 54.42 1xca s MET 123 Cb -0.09 -0.84 0.07 0.00 2.01 0.00 0.00 34.83 35.97 1xca s MET 123 CO 0.18 -0.28 -0.07 -0.08 -0.01 0.00 0.00 175.02 174.76 1xca s THR 124 N 1.87 2.26 -0.68 2.05 -1.32 -1.01 -0.92 115.64 117.89 1xca s THR 124 Ca 0.03 -1.74 -0.18 0.00 -1.21 0.00 0.00 61.69 58.58 1xca s THR 124 Cb -0.12 -2.39 0.12 0.00 -1.51 0.00 0.00 72.50 68.60 1xca s THR 124 CO -0.04 -0.13 0.79 0.00 -2.21 0.00 0.00 174.62 173.02 1xca s ALA 125 N 1.08 3.47 0.00 11.08 0.00 -0.76 -2.79 121.76 133.84 1xca s ALA 125 Ca -0.05 -2.42 0.00 0.00 0.00 0.00 0.00 51.96 49.48 1xca s ALA 125 Cb -0.20 -3.62 0.00 0.00 0.00 0.00 0.00 23.12 19.30 1xca s ALA 125 CO -0.05 -2.46 0.00 -0.25 0.00 0.00 0.00 175.76 173.00 1xca n ASP 126 N 6.15 0.00 -0.01 0.00 8.00 0.13 -2.66 116.55 128.17 1xca n ASP 126 Ca -0.01 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.49 1xca n ASP 126 Cb 0.44 0.00 -0.00 0.00 -0.02 0.00 0.00 41.12 41.54 1xca n ASP 126 CO 0.00 0.00 0.00 -0.90 -0.39 0.00 0.00 177.20 175.91 1xca n ASP 127 N 6.95 0.37 -4.63 -2.24 5.68 -1.26 -4.99 116.55 116.43 1xca n ASP 127 Ca 0.00 -0.68 -0.41 0.00 -0.50 0.00 0.00 54.79 53.19 1xca n ASP 127 Cb 0.00 0.66 -0.05 0.00 -1.14 0.00 0.00 41.12 40.59 1xca n ASP 127 CO 0.00 0.00 0.00 -0.69 -1.33 0.00 0.00 177.20 175.18 1xca s VAL 128 N -0.71 4.88 -0.03 2.12 1.01 -1.09 -5.05 120.40 121.53 1xca s VAL 128 Ca 0.00 1.39 -0.03 0.00 0.00 0.00 0.00 61.98 63.35 1xca s VAL 128 Cb 0.00 -4.06 -0.04 0.00 0.00 0.00 0.00 36.38 32.29 1xca s VAL 128 CO 0.02 -0.06 0.13 -0.69 0.00 0.00 0.00 175.10 174.49 1xca s VAL 129 N 2.74 5.12 -0.13 2.92 1.01 -1.26 -1.83 120.40 128.97 1xca s VAL 129 Ca 0.32 -0.18 -0.01 0.00 0.00 0.00 0.00 61.98 62.11 1xca s VAL 129 Cb -0.15 -3.33 0.03 0.00 0.00 0.00 0.00 36.38 32.93 1xca s VAL 129 CO 0.08 0.41 -0.06 0.00 0.00 0.00 0.00 175.10 175.53 1xca s THR 131 N 1.70 3.20 -0.04 0.00 2.01 -0.77 -0.52 115.64 121.21 1xca s THR 131 Ca 0.03 -0.63 0.06 0.00 0.31 0.00 0.00 61.69 61.47 1xca s THR 131 Cb -0.14 -2.33 -0.01 0.00 0.01 0.00 0.00 72.50 70.03 1xca s THR 131 CO -0.08 0.54 -0.23 -0.60 -0.69 0.00 0.00 174.62 173.56 1xca s ARG 132 N 0.05 2.13 -0.06 4.92 6.06 -0.38 -0.03 118.95 131.64 1xca s ARG 132 Ca -0.04 -0.81 0.05 0.00 -2.50 0.00 0.00 55.73 52.43 1xca s ARG 132 Cb -0.14 -1.90 -0.01 0.00 0.06 0.00 0.00 34.95 32.96 1xca s ARG 132 CO 0.04 0.39 -0.23 0.08 -2.50 0.00 0.00 175.30 173.09 1xca s VAL 133 N -0.26 1.90 0.37 7.11 1.01 -0.46 -1.70 120.40 128.38 1xca s VAL 133 Ca 0.01 -0.97 0.08 0.00 0.00 0.00 0.00 61.98 61.11 1xca s VAL 133 Cb -0.11 -1.62 -0.07 0.00 0.00 0.00 0.00 36.38 34.58 1xca s VAL 133 CO 0.02 0.53 -0.04 -0.31 0.00 0.00 0.00 175.10 175.29 1xca s TYR 134 N 0.01 2.46 -0.09 5.22 1.51 0.38 -0.84 117.35 126.00 1xca s TYR 134 Ca -0.07 -0.56 -0.07 0.00 -1.01 0.00 0.00 57.07 55.36 1xca s TYR 134 Cb -0.14 -1.55 0.03 0.00 -0.11 0.00 0.00 41.96 40.19 1xca s TYR 134 CO 0.04 0.52 0.23 0.54 -1.11 0.00 0.00 175.55 175.77 1xca s VAL 135 N -2.64 -0.02 -0.10 0.71 0.11 0.64 -1.56 120.40 117.54 1xca s VAL 135 Ca 0.34 0.06 -0.32 0.00 -2.93 0.00 0.00 61.98 59.13 1xca s VAL 135 Cb 0.05 -0.34 -0.10 0.00 -1.53 0.00 0.00 36.38 34.46 1xca s VAL 135 CO 0.17 0.03 2.01 0.54 -3.33 0.00 0.00 175.10 174.52 1xca n ARG 136 N 3.48 2.25 0.00 1.54 1.74 -1.26 -0.99 116.66 123.42 1xca n ARG 136 Ca -0.18 0.78 0.09 0.00 -0.77 0.00 0.00 57.85 57.77 1xca n ARG 136 Cb 0.56 -2.85 0.07 0.00 -1.02 0.00 0.00 32.46 29.22 1xca n ARG 136 CO 0.00 0.00 0.00 -1.91 -1.52 0.00 0.00 177.63 174.20