#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 4.32 0.00 2.55 2.47 -1.26 -4.95 114.94 118.07 1xca s ASN 2 Ca 0.00 -1.74 0.27 0.00 0.42 0.00 0.00 52.86 51.81 1xca s ASN 2 Cb 0.00 -1.30 0.80 0.00 -1.45 0.00 0.00 41.25 39.30 1xca s ASN 2 CO 0.00 -0.35 1.62 0.49 -3.72 0.00 0.00 177.10 175.14 1xca n PHE 3 N 4.53 0.00 -1.59 0.43 3.01 -1.26 -4.94 117.46 117.63 1xca n PHE 3 Ca -0.02 0.00 -0.49 0.00 1.01 0.00 0.00 57.45 57.95 1xca n PHE 3 Cb 0.42 -0.32 -0.04 0.00 -0.01 0.00 0.00 39.48 39.54 1xca n PHE 3 CO 0.00 0.00 0.00 0.43 1.01 0.00 0.00 176.76 178.20 1xca n SER 4 N -1.42 1.63 0.00 4.37 7.64 -1.26 -4.66 113.62 119.93 1xca n SER 4 Ca 0.07 1.13 0.00 0.00 1.01 0.00 0.00 58.87 61.08 1xca n SER 4 Cb 0.33 -1.24 0.00 0.00 -1.01 0.00 0.00 64.21 62.29 1xca n SER 4 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1xca n GLY 5 N 2.21 0.20 3.11 0.23 0.00 0.45 -4.96 105.19 106.44 1xca n GLY 5 Ca 0.15 -1.64 -0.33 0.00 0.00 0.00 0.00 46.02 44.20 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 -4.00 3.51 -0.13 1.61 0.01 -1.26 -0.67 114.94 114.01 1xca s ASN 6 Ca 0.00 -0.84 -0.04 0.00 -0.71 0.00 0.00 52.86 51.27 1xca s ASN 6 Cb 0.00 -1.51 -0.04 0.00 0.41 0.00 0.00 41.25 40.12 1xca s ASN 6 CO 0.00 -0.05 0.03 0.26 -1.51 0.00 0.00 177.10 175.83 1xca s TRP 7 N 1.25 3.23 -0.23 2.20 0.52 0.66 -0.70 118.94 125.87 1xca s TRP 7 Ca 0.01 0.14 -0.06 0.00 0.02 0.00 0.00 56.10 56.22 1xca s TRP 7 Cb -0.15 -1.92 -0.02 0.00 -1.15 0.00 0.00 33.47 30.23 1xca s TRP 7 CO -0.11 0.35 0.02 0.21 0.02 0.00 0.00 176.95 177.45 1xca s LYS 8 N -0.38 3.59 0.10 4.98 2.20 -0.28 -2.52 119.74 127.43 1xca s LYS 8 Ca 0.08 -0.52 -0.31 0.00 -0.36 0.00 0.00 55.97 54.86 1xca s LYS 8 Cb -0.12 -3.18 -0.08 0.00 -1.51 0.00 0.00 37.83 32.94 1xca s LYS 8 CO 0.02 -0.12 1.41 -1.50 -0.36 0.00 0.00 175.35 174.80 1xca s ILE 9 N 1.37 3.32 -0.14 5.43 2.07 -1.26 -1.55 121.20 130.45 1xca s ILE 9 Ca 0.05 0.91 0.12 0.00 -1.41 0.00 0.00 60.65 60.32 1xca s ILE 9 Cb -0.15 -3.59 -0.17 0.00 0.13 0.00 0.00 42.46 38.69 1xca s ILE 9 CO 0.01 0.06 0.04 2.30 -1.91 0.00 0.00 174.94 175.44 1xca n ILE 10 N 4.08 0.93 -3.67 2.00 -5.35 0.38 -4.96 119.36 112.78 1xca n ILE 10 Ca 0.12 -0.57 -0.15 0.00 -0.27 0.00 0.00 62.75 61.88 1xca n ILE 10 Cb 0.42 -0.66 -0.08 0.00 -1.74 0.00 0.00 39.64 37.59 1xca n ILE 10 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1xca s ARG 11 N -2.33 0.78 0.09 6.28 1.70 -1.13 -5.00 118.95 119.34 1xca s ARG 11 Ca -0.07 0.14 0.03 0.00 -0.47 0.00 0.00 55.73 55.35 1xca s ARG 11 Cb 0.04 0.36 -0.04 0.00 -0.57 0.00 0.00 34.95 34.74 1xca s ARG 11 CO 0.55 -0.21 -0.08 0.45 -1.08 0.00 0.00 175.30 174.93 1xca s SER 12 N -0.95 1.25 -0.28 -2.89 0.15 -1.26 -0.08 113.70 109.64 1xca s SER 12 Ca -0.10 -0.85 -0.22 0.00 0.70 0.00 0.00 55.95 55.49 1xca s SER 12 Cb -0.03 0.04 0.09 0.00 -1.71 0.00 0.00 66.02 64.41 1xca s SER 12 CO 0.05 -0.33 0.78 -0.70 1.20 0.00 0.00 173.24 174.24 1xca s GLU 13 N -3.00 0.72 -1.39 5.44 2.12 0.16 -4.95 118.70 117.79 1xca s GLU 13 Ca 0.06 0.98 0.00 0.00 0.36 0.00 0.00 54.97 56.36 1xca s GLU 13 Cb -0.01 0.28 0.00 0.00 0.26 0.00 0.00 34.13 34.66 1xca s GLU 13 CO -0.02 -0.11 0.00 0.09 -0.54 0.00 0.00 175.26 174.69 1xca n ASN 14 N 3.15 -4.55 0.45 -1.70 5.03 -1.26 -0.79 115.26 115.60 1xca n ASN 14 Ca -0.16 0.23 -0.19 0.00 0.87 0.00 0.00 54.58 55.33 1xca n ASN 14 Cb 0.56 -3.42 -0.09 0.00 -1.02 0.00 0.00 39.78 35.82 1xca n ASN 14 CO 0.00 0.00 0.00 0.15 -1.83 0.00 0.00 177.26 175.58 1xca h PHE 15 N 0.00 -1.06 -0.47 3.10 3.57 -1.91 -2.07 116.94 118.09 1xca h PHE 15 Ca -0.30 -0.02 -0.03 0.00 3.53 0.00 0.00 57.97 61.15 1xca h PHE 15 Cb 1.01 0.35 -0.02 0.00 2.79 0.00 0.00 35.95 40.08 1xca h PHE 15 CO 0.38 -0.65 0.19 1.49 -2.23 0.00 0.00 178.31 177.49 1xca h GLU 16 N -1.18 0.68 -0.17 1.11 4.81 -1.94 -1.70 114.58 116.18 1xca h GLU 16 Ca -0.12 -0.09 -0.03 0.00 -0.13 0.00 0.00 59.36 58.98 1xca h GLU 16 Cb 0.88 -0.12 -0.01 0.00 0.63 0.00 0.00 28.75 30.12 1xca h GLU 16 CO 0.19 0.56 -0.05 1.49 -0.73 0.00 0.00 179.01 180.47 1xca h GLU 17 N 0.67 0.25 -0.58 1.92 4.57 -1.95 -1.30 114.58 118.16 1xca h GLU 17 Ca 0.16 -0.04 -0.09 0.00 -1.18 0.00 0.00 59.36 58.21 1xca h GLU 17 Cb 0.14 -0.04 -0.02 0.00 -0.16 0.00 0.00 28.75 28.67 1xca h GLU 17 CO -0.02 0.32 0.02 1.25 -1.18 0.00 0.00 179.01 179.40 1xca h LEU 18 N 0.24 0.99 -0.88 1.64 5.85 -0.58 -2.70 115.31 119.87 1xca h LEU 18 Ca 0.06 -0.30 -0.10 0.00 0.84 0.00 0.00 57.88 58.37 1xca h LEU 18 Cb 0.26 -0.27 -0.01 0.00 0.37 0.00 0.00 40.66 41.00 1xca h LEU 18 CO 0.01 1.05 -0.48 -0.07 -0.34 0.00 0.00 178.44 178.61 1xca h LEU 19 N 0.91 0.00 -0.37 2.25 3.38 -1.18 -3.16 115.31 117.14 1xca h LEU 19 Ca 0.17 0.00 -0.09 0.00 0.09 0.00 0.00 57.88 58.05 1xca h LEU 19 Cb 0.53 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.27 1xca h LEU 19 CO 0.03 0.48 -0.12 0.50 0.09 0.00 0.00 178.44 179.42 1xca h LYS 20 N 0.00 0.73 0.00 1.13 3.64 -0.96 -2.10 116.57 119.00 1xca h LYS 20 Ca -0.00 -0.29 0.00 0.00 -1.27 0.00 0.00 60.65 59.08 1xca h LYS 20 Cb 0.97 -0.03 0.00 0.00 -0.41 0.00 0.00 32.23 32.76 1xca h LYS 20 CO 0.06 0.89 0.00 1.33 -2.27 0.00 0.00 179.45 179.47 1xca n VAL 21 N -4.35 0.69 0.41 2.00 0.24 -1.05 -2.12 118.33 114.14 1xca n VAL 21 Ca -0.02 0.14 0.09 0.00 -2.04 0.00 0.00 64.34 62.51 1xca n VAL 21 Cb 0.37 -0.87 0.25 0.00 -1.47 0.00 0.00 33.84 32.12 1xca n VAL 21 CO 0.00 0.00 0.00 0.18 -2.14 0.00 0.00 176.83 174.87 1xca n LEU 22 N -1.71 2.78 0.00 1.34 4.77 -1.01 -4.94 117.00 118.23 1xca n LEU 22 Ca 0.04 -1.35 0.00 0.00 -0.03 0.00 0.00 56.01 54.67 1xca n LEU 22 Cb 0.25 -0.32 0.00 0.00 -2.33 0.00 0.00 43.42 41.02 1xca n LEU 22 CO 0.19 0.68 0.00 0.61 -1.33 0.00 0.00 177.39 177.54 1xca n GLY 23 N 1.34 1.02 3.76 -0.72 0.00 -0.90 -5.03 105.19 104.67 1xca n GLY 23 Ca 0.18 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.79 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 -3.50 2.71 0.78 1.61 1.01 -0.82 -5.00 120.40 117.19 1xca s VAL 24 Ca 0.00 0.68 -0.12 0.00 0.00 0.00 0.00 61.98 62.54 1xca s VAL 24 Cb 0.00 -3.43 0.06 0.00 0.00 0.00 0.00 36.38 33.01 1xca s VAL 24 CO 0.00 0.15 1.12 0.54 0.00 0.00 0.00 175.10 176.90 1xca s ASN 25 N -0.25 4.68 0.17 3.32 2.20 -1.26 -4.57 114.94 119.23 1xca s ASN 25 Ca 0.52 1.11 -0.21 0.00 -0.94 0.00 0.00 52.86 53.33 1xca s ASN 25 Cb -0.40 -1.80 0.09 0.00 -2.00 0.00 0.00 41.25 37.14 1xca s ASN 25 CO 0.51 -1.83 1.60 -0.37 -2.94 0.00 0.00 177.10 174.07 1xca h VAL 26 N -0.99 0.26 0.01 3.54 -1.51 -1.99 -1.29 116.25 114.28 1xca h VAL 26 Ca -0.47 0.00 0.01 0.00 -1.23 0.00 0.00 66.70 65.01 1xca h VAL 26 Cb 1.28 0.26 -0.03 0.00 -2.13 0.00 0.00 31.29 30.67 1xca h VAL 26 CO 0.62 0.00 -0.29 -0.03 -1.23 0.00 0.00 177.57 176.65 1xca h MET 27 N -0.20 -0.35 -0.21 5.19 1.85 -2.00 -1.82 114.93 117.38 1xca h MET 27 Ca 0.20 0.02 0.06 0.00 -0.61 0.00 0.00 59.70 59.37 1xca h MET 27 Cb 0.52 0.08 -0.01 0.00 0.43 0.00 0.00 31.60 32.62 1xca h MET 27 CO -0.57 -0.24 0.17 -0.07 -0.40 0.00 0.00 176.91 175.81 1xca h LEU 28 N -0.37 0.00 -0.64 3.39 4.07 -1.90 -0.69 115.31 119.17 1xca h LEU 28 Ca 0.00 0.00 -0.14 0.00 0.08 0.00 0.00 57.88 57.82 1xca h LEU 28 Cb 0.39 0.00 -0.01 0.00 1.08 0.00 0.00 40.66 42.12 1xca h LEU 28 CO -0.18 0.00 -0.51 0.03 -1.08 0.00 0.00 178.44 176.69 1xca h ARG 29 N 0.00 0.43 -0.30 1.13 3.08 -0.57 -2.43 114.38 115.73 1xca h ARG 29 Ca 0.10 -0.26 -0.15 0.00 0.07 0.00 0.00 59.98 59.74 1xca h ARG 29 Cb 0.44 0.02 -0.00 0.00 0.08 0.00 0.00 29.97 30.51 1xca h ARG 29 CO -0.00 0.84 -0.41 0.87 -1.07 0.00 0.00 179.97 180.21 1xca h LYS 30 N 0.34 0.80 -0.39 0.04 1.79 -0.33 -1.29 116.57 117.53 1xca h LYS 30 Ca 0.01 -0.46 -0.07 0.00 -2.18 0.00 0.00 60.65 57.95 1xca h LYS 30 Cb 1.02 0.04 -0.02 0.00 -1.58 0.00 0.00 32.23 31.68 1xca h LYS 30 CO 0.09 1.10 -0.05 0.82 -1.08 0.00 0.00 179.45 180.33 1xca h ILE 31 N 0.57 1.23 -0.50 1.86 1.08 -1.46 -1.45 117.51 118.84 1xca h ILE 31 Ca 0.03 -0.98 -0.10 0.00 -0.39 0.00 0.00 64.86 63.42 1xca h ILE 31 Cb 1.00 0.99 -0.02 0.00 -3.07 0.00 0.00 36.82 35.72 1xca h ILE 31 CO 0.10 0.33 -0.09 0.00 -0.69 0.00 0.00 178.15 177.80 1xca h ALA 32 N 1.35 0.68 -0.57 1.87 0.00 -1.30 0.73 119.26 122.02 1xca h ALA 32 Ca 0.12 -0.33 -0.11 0.00 0.00 0.00 0.00 54.91 54.59 1xca h ALA 32 Cb 0.45 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 18.04 1xca h ALA 32 CO 0.02 0.58 -0.06 0.28 0.00 0.00 0.00 179.25 180.07 1xca h VAL 33 N 0.80 1.27 -0.15 0.00 2.07 -0.94 -1.74 116.25 117.56 1xca h VAL 33 Ca 0.13 -1.22 -0.11 0.00 0.82 0.00 0.00 66.70 66.32 1xca h VAL 33 Cb 0.64 0.88 0.00 0.00 -1.52 0.00 0.00 31.29 31.30 1xca h VAL 33 CO 0.04 0.44 -0.33 0.00 0.02 0.00 0.00 177.57 177.74 1xca h ALA 34 N 0.97 0.24 0.00 1.67 0.00 -1.17 -3.18 119.26 117.79 1xca h ALA 34 Ca 0.16 -0.42 -0.01 0.00 0.00 0.00 0.00 54.91 54.63 1xca h ALA 34 Cb 0.63 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 18.38 1xca h ALA 34 CO 0.04 0.28 -0.05 0.00 0.00 0.00 0.00 179.25 179.53 1xca h ALA 35 N 0.55 1.14 -0.86 0.00 0.00 -0.81 -2.20 119.26 117.09 1xca h ALA 35 Ca 0.00 -0.04 -0.37 0.00 0.00 0.00 0.00 54.91 54.50 1xca h ALA 35 Cb 0.93 -0.01 -0.22 0.00 0.00 0.00 0.00 17.79 18.49 1xca h ALA 35 CO 0.07 0.06 0.46 0.00 0.00 0.00 0.00 179.25 179.84 1xca n ALA 36 N -2.18 5.11 -0.45 0.00 0.00 -0.66 -4.31 120.51 118.02 1xca n ALA 36 Ca -0.02 -2.66 0.00 0.00 0.00 0.00 0.00 53.44 50.76 1xca n ALA 36 Cb 0.19 -1.34 0.00 0.00 0.00 0.00 0.00 19.45 18.31 1xca n ALA 36 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 1xca n SER 37 N -0.70 0.00 -4.08 0.00 7.64 -0.83 -4.09 113.62 111.57 1xca n SER 37 Ca 0.51 0.77 -0.35 0.00 1.01 0.00 0.00 58.87 60.81 1xca n SER 37 Cb 1.53 -0.27 -0.07 0.00 -1.01 0.00 0.00 64.21 64.38 1xca n SER 37 CO 0.00 0.00 0.00 -0.54 -3.01 0.00 0.00 175.04 171.49 1xca s LYS 38 N -2.09 3.11 0.08 1.43 1.02 -1.26 -4.95 119.74 117.09 1xca s LYS 38 Ca 0.00 -3.24 -0.30 0.00 0.02 0.00 0.00 55.97 52.44 1xca s LYS 38 Cb 0.00 -3.86 -0.06 0.00 -0.52 0.00 0.00 37.83 33.39 1xca s LYS 38 CO 0.00 -1.26 1.17 -1.25 -0.92 0.00 0.00 175.35 173.09 1xca s PRO 39 N -1.28 4.47 0.02 -1.68 0.04 -1.25 -3.98 135.00 131.34 1xca s PRO 39 Ca 0.26 1.75 0.04 0.00 0.04 0.00 0.00 61.00 63.09 1xca s PRO 39 Cb -0.08 -3.33 -0.02 0.00 0.04 0.00 0.00 34.50 31.11 1xca s PRO 39 CO -0.12 -0.18 -0.12 0.00 0.04 0.00 0.00 177.00 176.61 1xca s ALA 40 N 0.78 1.03 -0.24 8.56 0.00 0.15 -4.06 121.76 127.98 1xca s ALA 40 Ca 0.56 -0.68 -0.01 0.00 0.00 0.00 0.00 51.96 51.84 1xca s ALA 40 Cb -0.29 -0.19 0.03 0.00 0.00 0.00 0.00 23.12 22.67 1xca s ALA 40 CO 0.31 0.21 -0.09 0.08 0.00 0.00 0.00 175.76 176.26 1xca s VAL 41 N -0.64 2.63 -0.57 0.00 1.01 -1.05 -1.65 120.40 120.14 1xca s VAL 41 Ca 0.02 -1.09 -0.14 0.00 0.00 0.00 0.00 61.98 60.77 1xca s VAL 41 Cb -0.07 -2.32 0.14 0.00 0.00 0.00 0.00 36.38 34.13 1xca s VAL 41 CO 0.01 0.23 0.51 -0.70 0.00 0.00 0.00 175.10 175.15 1xca s GLU 42 N 1.29 2.98 -0.20 2.72 2.12 -0.79 -0.24 118.70 126.58 1xca s GLU 42 Ca -0.00 -1.84 -0.09 0.00 0.36 0.00 0.00 54.97 53.40 1xca s GLU 42 Cb -0.16 -4.25 -0.05 0.00 0.26 0.00 0.00 34.13 29.93 1xca s GLU 42 CO -0.06 -1.30 0.12 0.42 -0.54 0.00 0.00 175.26 173.89 1xca s ILE 43 N 1.34 5.27 -0.24 -3.70 1.01 0.15 -2.34 121.20 122.69 1xca s ILE 43 Ca 0.06 0.14 0.02 0.00 0.00 0.00 0.00 60.65 60.87 1xca s ILE 43 Cb -0.27 -3.40 0.05 0.00 0.01 0.00 0.00 42.46 38.85 1xca s ILE 43 CO 0.01 0.44 -0.12 -0.54 0.00 0.00 0.00 174.94 174.72 1xca s LYS 44 N 0.39 2.51 -0.20 2.79 3.01 -0.36 -0.41 119.74 127.47 1xca s LYS 44 Ca 0.07 -1.17 -0.01 0.00 -1.01 0.00 0.00 55.97 53.84 1xca s LYS 44 Cb -0.11 -2.83 0.00 0.00 -1.01 0.00 0.00 37.83 33.88 1xca s LYS 44 CO -0.01 -0.46 -0.12 -1.14 0.51 0.00 0.00 175.35 174.13 1xca s GLN 45 N 1.18 3.21 -0.79 1.68 0.74 -1.26 -1.58 119.66 122.84 1xca s GLN 45 Ca -0.04 -0.72 0.02 0.00 0.05 0.00 0.00 55.36 54.67 1xca s GLN 45 Cb -0.18 -2.79 0.21 0.00 1.10 0.00 0.00 33.01 31.35 1xca s GLN 45 CO -0.07 -0.17 0.69 0.39 -0.55 0.00 0.00 175.29 175.58 1xca n GLU 46 N 4.62 2.37 0.00 1.67 1.02 0.04 -4.89 120.64 125.46 1xca n GLU 46 Ca -0.19 -4.52 0.00 0.00 -0.02 0.00 0.00 57.16 52.42 1xca n GLU 46 Cb 0.51 -2.34 0.00 0.00 -0.02 0.00 0.00 31.44 29.59 1xca n GLU 46 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1xca n GLY 47 N 1.87 1.53 0.98 0.62 0.00 -1.26 -1.94 105.19 106.99 1xca n GLY 47 Ca 0.23 0.03 0.12 0.00 0.00 0.00 0.00 46.02 46.39 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 9.49 3.07 -4.66 1.61 9.92 -1.26 -4.90 116.55 129.82 1xca n ASP 48 Ca 0.00 -1.97 -0.38 0.00 -0.53 0.00 0.00 54.79 51.91 1xca n ASP 48 Cb 0.00 -0.07 -0.08 0.00 -0.64 0.00 0.00 41.12 40.33 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 -1.80 5.25 -0.03 -3.53 2.01 -0.82 -1.13 115.64 115.60 1xca s THR 49 Ca 0.30 0.51 0.06 0.00 0.31 0.00 0.00 61.69 62.87 1xca s THR 49 Cb 0.20 -3.65 -0.01 0.00 0.01 0.00 0.00 72.50 69.05 1xca s THR 49 CO 0.29 0.28 -0.21 -0.36 -0.69 0.00 0.00 174.62 173.93 1xca s PHE 50 N 1.27 1.96 -0.14 4.92 0.40 0.58 -0.78 117.98 126.18 1xca s PHE 50 Ca 0.15 -0.43 -0.00 0.00 -0.60 0.00 0.00 56.93 56.04 1xca s PHE 50 Cb -0.14 -1.27 0.03 0.00 0.51 0.00 0.00 43.02 42.14 1xca s PHE 50 CO 0.07 -0.08 -0.09 -0.47 0.70 0.00 0.00 175.22 175.35 1xca s TYR 51 N -0.37 1.82 -0.21 0.36 5.04 -0.62 -0.71 117.35 122.66 1xca s TYR 51 Ca 0.05 -1.04 -0.00 0.00 -2.44 0.00 0.00 57.07 53.64 1xca s TYR 51 Cb -0.10 -1.39 0.06 0.00 0.35 0.00 0.00 41.96 40.88 1xca s TYR 51 CO 0.00 -0.60 -0.04 0.42 -1.34 0.00 0.00 175.55 173.99 1xca s ILE 52 N 1.60 1.30 -0.39 3.14 1.01 -0.14 -1.22 121.20 126.49 1xca s ILE 52 Ca 0.03 -0.99 -0.13 0.00 0.00 0.00 0.00 60.65 59.56 1xca s ILE 52 Cb -0.14 -1.57 0.02 0.00 0.01 0.00 0.00 42.46 40.78 1xca s ILE 52 CO -0.09 -0.06 0.25 -0.75 0.00 0.00 0.00 174.94 174.30 1xca s LYS 53 N 1.51 2.89 -0.44 2.79 2.20 -0.99 -1.23 119.74 126.48 1xca s LYS 53 Ca -0.04 -1.05 -0.16 0.00 -0.36 0.00 0.00 55.97 54.36 1xca s LYS 53 Cb -0.18 -3.86 0.04 0.00 -1.51 0.00 0.00 37.83 32.32 1xca s LYS 53 CO -0.07 -0.73 0.39 0.99 -0.36 0.00 0.00 175.35 175.57 1xca s THR 54 N 1.62 5.18 0.21 3.43 2.01 0.21 -1.88 115.64 126.41 1xca s THR 54 Ca 0.03 -0.69 0.10 0.00 0.31 0.00 0.00 61.69 61.44 1xca s THR 54 Cb -0.19 -4.05 -0.04 0.00 0.01 0.00 0.00 72.50 68.23 1xca s THR 54 CO 0.08 -0.46 -0.10 -0.44 -0.69 0.00 0.00 174.62 173.01 1xca s SER 55 N 2.07 4.16 0.04 3.53 0.01 -0.66 -0.37 113.70 122.48 1xca s SER 55 Ca 0.07 -0.67 -0.00 0.00 1.31 0.00 0.00 55.95 56.66 1xca s SER 55 Cb -0.20 -0.65 0.00 0.00 0.21 0.00 0.00 66.02 65.38 1xca s SER 55 CO 0.10 0.07 0.05 0.35 0.41 0.00 0.00 173.24 174.22 1xca n THR 56 N -0.22 0.00 -2.83 1.44 -2.24 -0.30 0.31 114.28 110.43 1xca n THR 56 Ca -0.09 -0.18 -0.41 0.00 -2.27 0.00 0.00 64.05 61.10 1xca n THR 56 Cb 0.57 0.11 -0.04 0.00 -2.10 0.00 0.00 70.33 68.86 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 -2.47 4.71 -0.76 4.28 -4.23 -1.26 -3.37 115.64 112.55 1xca s THR 57 Ca 0.03 1.87 0.00 0.00 -1.18 0.00 0.00 61.69 62.41 1xca s THR 57 Cb -0.00 -4.23 0.00 0.00 1.34 0.00 0.00 72.50 69.61 1xca s THR 57 CO 0.02 0.29 0.00 1.33 -0.54 0.00 0.00 174.62 175.72 1xca n VAL 58 N 3.16 0.00 -3.53 2.29 0.24 -1.26 -4.65 118.33 114.58 1xca n VAL 58 Ca 0.01 0.00 -0.18 0.00 -2.04 0.00 0.00 64.34 62.14 1xca n VAL 58 Cb 0.50 -1.01 -0.06 0.00 -1.47 0.00 0.00 33.84 31.80 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 -2.29 1.04 -0.29 7.34 3.52 -1.22 -5.05 118.95 122.01 1xca s ARG 59 Ca 0.00 0.31 -0.06 0.00 -0.13 0.00 0.00 55.73 55.85 1xca s ARG 59 Cb 0.00 0.49 0.15 0.00 -1.56 0.00 0.00 34.95 34.04 1xca s ARG 59 CO 0.00 -0.31 0.60 0.99 -0.81 0.00 0.00 175.30 175.76 1xca s THR 60 N -1.08 -0.95 0.22 4.11 2.01 -1.26 -1.15 115.64 117.54 1xca s THR 60 Ca -0.10 0.01 0.11 0.00 0.31 0.00 0.00 61.69 62.01 1xca s THR 60 Cb -0.00 -0.97 -0.05 0.00 0.01 0.00 0.00 72.50 71.49 1xca s THR 60 CO 0.09 -0.00 -0.18 -0.89 -0.69 0.00 0.00 174.62 172.95 1xca s THR 61 N 2.84 2.64 -0.25 -0.82 2.01 0.50 -4.97 115.64 117.59 1xca s THR 61 Ca 0.07 -2.06 -0.10 0.00 0.31 0.00 0.00 61.69 59.91 1xca s THR 61 Cb -0.13 -2.32 0.10 0.00 0.01 0.00 0.00 72.50 70.16 1xca s THR 61 CO -0.19 -0.22 0.55 -1.83 -0.69 0.00 0.00 174.62 172.25 1xca s GLU 62 N -3.02 0.50 -0.01 4.92 -1.05 -1.26 0.64 118.70 119.41 1xca s GLU 62 Ca 0.25 1.21 0.08 0.00 -0.15 0.00 0.00 54.97 56.36 1xca s GLU 62 Cb -0.07 0.48 -0.02 0.00 -0.44 0.00 0.00 34.13 34.08 1xca s GLU 62 CO 0.13 -0.20 -0.26 0.96 0.95 0.00 0.00 175.26 176.84 1xca s ILE 63 N 2.42 2.05 -0.06 1.83 -4.36 -0.36 -4.96 121.20 117.76 1xca s ILE 63 Ca -0.06 -1.14 0.03 0.00 -0.26 0.00 0.00 60.65 59.23 1xca s ILE 63 Cb -0.10 -1.71 -0.02 0.00 1.25 0.00 0.00 42.46 41.87 1xca s ILE 63 CO -0.16 0.56 -0.15 0.20 0.24 0.00 0.00 174.94 175.62 1xca s ASN 64 N -0.67 3.93 0.24 4.36 0.01 -1.26 -0.97 114.94 120.58 1xca s ASN 64 Ca 0.10 -0.24 -0.21 0.00 -0.71 0.00 0.00 52.86 51.80 1xca s ASN 64 Cb -0.10 -0.92 0.06 0.00 0.41 0.00 0.00 41.25 40.70 1xca s ASN 64 CO -0.01 0.32 0.92 0.72 -1.51 0.00 0.00 177.10 177.54 1xca s PHE 65 N -0.56 0.01 -0.01 2.20 -0.12 0.12 -4.98 117.98 114.65 1xca s PHE 65 Ca 0.08 -0.47 0.00 0.00 -0.05 0.00 0.00 56.93 56.49 1xca s PHE 65 Cb -0.11 0.73 0.01 0.00 -0.63 0.00 0.00 43.02 43.01 1xca s PHE 65 CO 0.01 -1.11 -0.00 0.21 -0.05 0.00 0.00 175.22 174.28 1xca s LYS 66 N -2.65 0.07 0.23 1.99 2.20 -1.26 -0.31 119.74 120.01 1xca s LYS 66 Ca 0.17 0.01 -0.32 0.00 -0.36 0.00 0.00 55.97 55.47 1xca s LYS 66 Cb -0.03 -0.12 -0.13 0.00 -1.51 0.00 0.00 37.83 36.04 1xca s LYS 66 CO 0.06 -0.02 1.59 0.28 -0.36 0.00 0.00 175.35 176.91 1xca n VAL 67 N 3.29 0.49 0.00 4.02 0.31 -0.29 -1.86 118.33 124.30 1xca n VAL 67 Ca -0.15 -0.12 0.00 0.00 -0.01 0.00 0.00 64.34 64.05 1xca n VAL 67 Cb 0.58 -1.78 0.00 0.00 -0.91 0.00 0.00 33.84 31.72 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 2.95 2.60 3.63 2.92 0.00 0.12 -5.00 105.19 112.40 1xca n GLY 68 Ca 0.13 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.81 1xca n GLY 68 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1xca s GLU 69 N -0.42 3.97 0.36 1.61 2.12 -0.78 -4.92 118.70 120.65 1xca s GLU 69 Ca 0.00 -0.35 -0.28 0.00 0.36 0.00 0.00 54.97 54.71 1xca s GLU 69 Cb 0.00 -3.22 -0.10 0.00 0.26 0.00 0.00 34.13 31.07 1xca s GLU 69 CO 0.00 0.27 1.36 -1.21 -0.54 0.00 0.00 175.26 175.13 1xca s GLU 70 N 0.39 4.19 0.03 4.30 2.02 -1.26 -4.55 118.70 123.83 1xca s GLU 70 Ca 0.03 2.30 -0.14 0.00 0.02 0.00 0.00 54.97 57.18 1xca s GLU 70 Cb -0.12 -2.97 0.02 0.00 0.10 0.00 0.00 34.13 31.16 1xca s GLU 70 CO 0.00 -0.36 0.31 -0.59 0.02 0.00 0.00 175.26 174.64 1xca s PHE 71 N -1.16 -0.12 -0.11 1.61 -0.71 -0.29 -5.00 117.98 112.19 1xca s PHE 71 Ca 0.52 0.04 -0.01 0.00 -1.04 0.00 0.00 56.93 56.44 1xca s PHE 71 Cb -0.41 0.10 -0.03 0.00 -1.21 0.00 0.00 43.02 41.47 1xca s PHE 71 CO 0.55 -0.48 -0.05 -1.83 -1.34 0.00 0.00 175.22 172.07 1xca s GLU 72 N -2.26 3.20 0.00 1.99 -1.05 -1.26 0.73 118.70 120.06 1xca s GLU 72 Ca -0.07 -0.52 0.00 0.00 -0.15 0.00 0.00 54.97 54.23 1xca s GLU 72 Cb -0.02 -2.76 0.00 0.00 -0.44 0.00 0.00 34.13 30.92 1xca s GLU 72 CO -0.01 0.47 0.00 -0.85 0.95 0.00 0.00 175.26 175.81 1xca n GLU 73 N 2.83 0.88 -3.87 -4.83 0.28 0.02 -4.94 120.64 111.02 1xca n GLU 73 Ca -0.18 0.00 -0.10 0.00 -0.16 0.00 0.00 57.16 56.72 1xca n GLU 73 Cb 0.53 0.00 -0.09 0.00 1.43 0.00 0.00 31.44 33.31 1xca n GLU 73 CO 0.00 0.00 0.00 -1.14 -0.16 0.00 0.00 177.13 175.83 1xca s GLN 74 N 4.65 0.67 0.71 3.44 0.74 -1.26 -2.40 119.66 126.21 1xca s GLN 74 Ca 0.00 -0.67 -0.10 0.00 0.05 0.00 0.00 55.36 54.65 1xca s GLN 74 Cb 0.00 0.27 0.04 0.00 1.10 0.00 0.00 33.01 34.43 1xca s GLN 74 CO 0.00 -0.19 1.07 0.95 -0.55 0.00 0.00 175.29 176.57 1xca s THR 75 N -2.60 2.87 0.40 -0.34 -4.23 0.33 -4.88 115.64 107.19 1xca s THR 75 Ca -0.05 0.12 0.15 0.00 -1.18 0.00 0.00 61.69 60.74 1xca s THR 75 Cb -0.01 -3.25 0.37 0.00 1.34 0.00 0.00 72.50 70.95 1xca s THR 75 CO -0.04 -0.30 1.85 0.58 -0.54 0.00 0.00 174.62 176.16 1xca h VAL 76 N -0.67 0.70 -0.29 2.29 2.07 -2.00 0.18 116.25 118.53 1xca h VAL 76 Ca -0.45 -0.16 0.00 0.00 0.82 0.00 0.00 66.70 66.91 1xca h VAL 76 Cb 1.29 0.19 0.00 0.00 -1.52 0.00 0.00 31.29 31.25 1xca h VAL 76 CO 0.63 0.09 0.00 -0.90 0.02 0.00 0.00 177.57 177.41 1xca n ASP 77 N -4.54 2.45 0.00 0.57 5.75 -1.26 -4.96 116.55 114.57 1xca n ASP 77 Ca 0.19 -1.86 0.00 0.00 -0.01 0.00 0.00 54.79 53.12 1xca n ASP 77 Cb 0.66 -0.18 0.00 0.00 -1.03 0.00 0.00 41.12 40.56 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 1.29 0.84 3.70 6.12 0.00 0.64 -5.07 105.19 112.71 1xca n GLY 78 Ca 0.17 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.80 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 -0.96 4.34 0.34 1.61 0.52 -1.26 -4.68 118.95 118.86 1xca s ARG 79 Ca 0.00 0.73 -0.29 0.00 -0.52 0.00 0.00 55.73 55.65 1xca s ARG 79 Cb 0.00 -3.49 -0.11 0.00 0.52 0.00 0.00 34.95 31.87 1xca s ARG 79 CO 0.00 -0.04 1.48 -1.25 0.02 0.00 0.00 175.30 175.52 1xca s PRO 80 N 1.20 4.16 0.18 3.54 0.04 -1.26 -0.51 135.00 142.34 1xca s PRO 80 Ca 0.33 2.51 -0.15 0.00 0.04 0.00 0.00 61.00 63.72 1xca s PRO 80 Cb -0.17 -3.00 0.02 0.00 0.04 0.00 0.00 34.50 31.39 1xca s PRO 80 CO 0.14 -0.50 0.44 0.00 0.04 0.00 0.00 177.00 177.12 1xca s LYS 82 N -3.89 4.13 0.11 0.00 2.47 0.10 -0.80 119.74 121.86 1xca s LYS 82 Ca 0.10 -0.01 0.10 0.00 -1.56 0.00 0.00 55.97 54.61 1xca s LYS 82 Cb 0.00 -3.54 -0.04 0.00 -1.46 0.00 0.00 37.83 32.80 1xca s LYS 82 CO -0.03 0.01 -0.26 -1.12 0.16 0.00 0.00 175.35 174.11 1xca s SER 83 N 1.04 3.35 -0.03 1.43 0.01 0.23 0.05 113.70 119.77 1xca s SER 83 Ca 0.14 -0.69 0.02 0.00 1.31 0.00 0.00 55.95 56.72 1xca s SER 83 Cb -0.14 -0.27 0.01 0.00 0.21 0.00 0.00 66.02 65.83 1xca s SER 83 CO 0.06 0.20 -0.06 -0.22 0.41 0.00 0.00 173.24 173.63 1xca s LEU 84 N -1.87 1.61 -0.00 2.44 2.96 -0.64 -1.14 118.68 122.03 1xca s LEU 84 Ca 0.14 -0.14 0.04 0.00 -0.22 0.00 0.00 54.13 53.95 1xca s LEU 84 Cb -0.10 -0.44 -0.03 0.00 0.50 0.00 0.00 46.19 46.11 1xca s LEU 84 CO 0.05 0.01 -0.10 -0.69 -1.32 0.00 0.00 176.35 174.31 1xca s VAL 85 N 0.47 3.43 -0.01 1.68 1.01 -1.26 -1.25 120.40 124.47 1xca s VAL 85 Ca -0.06 -0.81 -0.08 0.00 0.00 0.00 0.00 61.98 61.03 1xca s VAL 85 Cb -0.10 -2.46 0.01 0.00 0.00 0.00 0.00 36.38 33.83 1xca s VAL 85 CO 0.00 0.43 0.16 -0.54 0.00 0.00 0.00 175.10 175.16 1xca s LYS 86 N -1.27 0.47 0.05 2.72 1.02 0.07 0.10 119.74 122.91 1xca s LYS 86 Ca 0.15 -0.30 -0.30 0.00 0.02 0.00 0.00 55.97 55.54 1xca s LYS 86 Cb -0.11 0.20 -0.05 0.00 -0.52 0.00 0.00 37.83 37.36 1xca s LYS 86 CO 0.06 -0.11 1.09 -1.58 -0.92 0.00 0.00 175.35 173.88 1xca s TRP 87 N -1.20 3.56 -0.29 3.18 0.52 -1.26 -0.63 118.94 122.82 1xca s TRP 87 Ca -0.13 1.51 0.19 0.00 0.02 0.00 0.00 56.10 57.69 1xca s TRP 87 Cb -0.07 -3.27 -0.27 0.00 -1.15 0.00 0.00 33.47 28.72 1xca s TRP 87 CO 0.02 -0.63 0.54 -1.91 0.02 0.00 0.00 176.95 174.98 1xca n GLU 88 N 3.76 0.66 -2.96 4.98 2.13 -0.06 -4.91 120.64 124.23 1xca n GLU 88 Ca 0.07 -0.12 -0.04 0.00 0.66 0.00 0.00 57.16 57.73 1xca n GLU 88 Cb 0.48 -1.44 0.02 0.00 0.27 0.00 0.00 31.44 30.78 1xca n GLU 88 CO 0.00 0.00 0.00 0.45 -0.41 0.00 0.00 177.13 177.17 1xca n SER 89 N -1.95 -1.38 0.16 4.31 2.88 -1.10 -4.96 113.62 111.59 1xca n SER 89 Ca -0.01 -1.86 0.13 0.00 -1.33 0.00 0.00 58.87 55.80 1xca n SER 89 Cb 0.44 2.27 0.40 0.00 -0.75 0.00 0.00 64.21 66.57 1xca n SER 89 CO 0.00 0.00 0.00 1.05 -1.23 0.00 0.00 175.04 174.86 1xca h GLU 90 N 0.00 0.00 0.00 -1.46 4.11 -2.02 -3.27 114.58 111.94 1xca h GLU 90 Ca -0.21 0.00 -0.04 0.00 0.07 0.00 0.00 59.36 59.18 1xca h GLU 90 Cb 0.82 0.00 -0.09 0.00 0.50 0.00 0.00 28.75 29.98 1xca h GLU 90 CO 0.27 0.00 -0.50 0.09 0.07 0.00 0.00 179.01 178.94 1xca n ASN 91 N -2.58 1.27 -3.69 3.06 3.02 -1.26 -4.53 115.26 110.54 1xca n ASN 91 Ca 0.04 -2.74 -0.11 0.00 -0.03 0.00 0.00 54.58 51.73 1xca n ASN 91 Cb 0.40 -0.36 -0.12 0.00 -0.61 0.00 0.00 39.78 39.09 1xca n ASN 91 CO 0.00 0.00 0.00 -0.75 -2.62 0.00 0.00 177.26 173.89 1xca s LYS 92 N -1.53 0.29 0.03 3.52 2.20 -1.23 -1.45 119.74 121.56 1xca s LYS 92 Ca 0.26 0.74 0.05 0.00 -0.36 0.00 0.00 55.97 56.65 1xca s LYS 92 Cb 0.25 -0.00 -0.03 0.00 -1.51 0.00 0.00 37.83 36.54 1xca s LYS 92 CO -0.05 -0.19 -0.10 -1.64 -0.36 0.00 0.00 175.35 173.01 1xca s MET 93 N 1.69 2.38 -0.03 4.03 -1.94 0.44 -0.88 119.30 124.98 1xca s MET 93 Ca -0.07 -0.83 0.06 0.00 -1.71 0.00 0.00 55.69 53.14 1xca s MET 93 Cb -0.10 -2.40 -0.01 0.00 2.01 0.00 0.00 34.83 34.33 1xca s MET 93 CO -0.11 0.57 -0.20 0.08 -0.01 0.00 0.00 175.02 175.35 1xca s VAL 94 N -1.01 1.65 -0.19 -6.03 1.01 0.20 -1.85 120.40 114.19 1xca s VAL 94 Ca 0.17 -0.86 0.00 0.00 0.00 0.00 0.00 61.98 61.29 1xca s VAL 94 Cb -0.11 -1.39 0.04 0.00 0.00 0.00 0.00 36.38 34.92 1xca s VAL 94 CO 0.08 0.47 -0.09 0.00 0.00 0.00 0.00 175.10 175.56 1xca s GLU 96 N 1.47 4.26 -0.09 0.00 1.03 -0.38 -2.53 118.70 122.47 1xca s GLU 96 Ca -0.00 0.43 -0.02 0.00 0.03 0.00 0.00 54.97 55.41 1xca s GLU 96 Cb -0.16 -3.50 -0.03 0.00 -0.80 0.00 0.00 34.13 29.64 1xca s GLU 96 CO -0.08 -0.00 0.02 -0.65 -1.33 0.00 0.00 175.26 173.21 1xca s GLN 97 N 1.15 3.03 -0.08 -4.83 -0.21 -1.23 -1.63 119.66 115.87 1xca s GLN 97 Ca 0.25 -0.38 -0.01 0.00 0.02 0.00 0.00 55.36 55.24 1xca s GLN 97 Cb -0.15 -2.83 0.03 0.00 1.00 0.00 0.00 33.01 31.05 1xca s GLN 97 CO 0.10 0.71 -0.02 0.21 -2.12 0.00 0.00 175.29 174.17 1xca s LYS 98 N -0.92 0.84 0.20 2.91 2.47 0.11 -4.66 119.74 120.69 1xca s LYS 98 Ca 0.14 0.01 -0.33 0.00 -1.56 0.00 0.00 55.97 54.23 1xca s LYS 98 Cb -0.11 -1.11 -0.13 0.00 -1.46 0.00 0.00 37.83 35.01 1xca s LYS 98 CO 0.03 -0.28 1.55 1.28 0.16 0.00 0.00 175.35 178.08 1xca n LEU 99 N 5.05 3.32 0.00 5.43 4.77 -1.26 0.01 117.00 134.31 1xca n LEU 99 Ca -0.09 1.10 0.00 0.00 -0.03 0.00 0.00 56.01 56.99 1xca n LEU 99 Cb 0.50 -1.46 0.00 0.00 -2.33 0.00 0.00 43.42 40.13 1xca n LEU 99 CO 0.13 -0.25 0.30 0.18 -1.33 0.00 0.00 177.39 176.41 1xca n LEU 100 N 3.03 0.04 -4.26 2.23 4.77 -1.20 -4.56 117.00 117.05 1xca n LEU 100 Ca 0.15 0.59 -0.40 0.00 -0.03 0.00 0.00 56.01 56.32 1xca n LEU 100 Cb 0.31 -0.10 -0.10 0.00 -2.33 0.00 0.00 43.42 41.20 1xca n LEU 100 CO 0.63 -0.10 -0.09 -0.54 -1.33 0.00 0.00 177.39 175.96 1xca s LYS 101 N -1.39 2.59 0.00 3.23 3.01 -1.26 -4.99 119.74 120.93 1xca s LYS 101 Ca 0.00 -1.50 0.00 0.00 -1.01 0.00 0.00 55.97 53.46 1xca s LYS 101 Cb 0.00 -3.80 0.00 0.00 -1.01 0.00 0.00 37.83 33.02 1xca s LYS 101 CO 0.00 -0.99 0.00 0.41 0.51 0.00 0.00 175.35 175.28 1xca n GLY 102 N 4.92 3.46 3.66 -3.33 0.00 -1.26 -5.11 105.19 107.52 1xca n GLY 102 Ca -0.10 -1.87 -0.21 0.00 0.00 0.00 0.00 46.02 43.84 1xca n GLY 102 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1xca n GLU 103 N -1.16 0.09 -2.16 1.61 4.71 -1.26 -4.69 120.64 117.77 1xca n GLU 103 Ca 0.00 -2.65 0.00 0.00 -0.01 0.00 0.00 57.16 54.50 1xca n GLU 103 Cb 0.00 -0.53 0.00 0.00 -1.01 0.00 0.00 31.44 29.90 1xca n GLU 103 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 1xca n GLY 104 N -2.09 -0.66 3.64 0.62 0.00 -1.26 -5.05 105.19 100.39 1xca n GLY 104 Ca 0.16 -1.57 -0.48 0.00 0.00 0.00 0.00 46.02 44.12 1xca n GLY 104 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1xca n PRO 105 N -0.64 1.74 -2.59 1.61 -0.02 -1.26 -4.93 135.00 128.91 1xca n PRO 105 Ca 0.00 0.63 -0.42 0.00 -2.02 0.00 0.00 63.50 61.69 1xca n PRO 105 Cb 0.00 -2.34 -0.03 0.00 -0.02 0.00 0.00 33.50 31.11 1xca n PRO 105 CO 0.00 0.00 0.00 0.21 1.98 0.00 0.00 175.50 177.69 1xca s LYS 106 N 0.72 3.41 0.25 -0.52 2.20 -1.26 -4.98 119.74 119.55 1xca s LYS 106 Ca 0.81 0.07 0.07 0.00 -0.36 0.00 0.00 55.97 56.56 1xca s LYS 106 Cb -0.79 -4.07 -0.04 0.00 -1.51 0.00 0.00 37.83 31.43 1xca s LYS 106 CO 0.42 -1.81 0.20 0.95 -0.36 0.00 0.00 175.35 174.75 1xca s THR 107 N 5.12 4.50 0.10 3.43 -4.23 -1.26 -2.33 115.64 120.96 1xca s THR 107 Ca 0.40 -1.37 -0.26 0.00 -1.18 0.00 0.00 61.69 59.27 1xca s THR 107 Cb -0.08 -3.43 0.08 0.00 1.34 0.00 0.00 72.50 70.41 1xca s THR 107 CO 0.22 -0.34 0.97 -0.94 -0.54 0.00 0.00 174.62 173.98 1xca s SER 108 N -3.83 -0.22 0.00 3.99 1.04 -0.14 -3.52 113.70 111.03 1xca s SER 108 Ca 0.33 -0.28 -0.12 0.00 0.48 0.00 0.00 55.95 56.36 1xca s SER 108 Cb -0.08 0.43 0.01 0.00 0.10 0.00 0.00 66.02 66.49 1xca s SER 108 CO 0.25 -0.78 0.25 -1.66 0.98 0.00 0.00 173.24 172.28 1xca s TRP 109 N -3.17 -0.08 0.20 5.02 1.48 -1.05 -0.78 118.94 120.55 1xca s TRP 109 Ca 0.10 0.06 0.05 0.00 -1.06 0.00 0.00 56.10 55.25 1xca s TRP 109 Cb -0.01 0.04 -0.05 0.00 -1.16 0.00 0.00 33.47 32.30 1xca s TRP 109 CO -0.01 -0.38 -0.08 0.95 -4.06 0.00 0.00 176.95 173.36 1xca s THR 110 N -1.66 1.32 -0.14 0.66 -4.23 -0.47 -1.27 115.64 109.86 1xca s THR 110 Ca -0.12 -2.10 -0.09 0.00 -1.18 0.00 0.00 61.69 58.21 1xca s THR 110 Cb -0.05 -2.08 0.05 0.00 1.34 0.00 0.00 72.50 71.76 1xca s THR 110 CO 0.02 -0.56 0.34 -0.32 -0.54 0.00 0.00 174.62 173.56 1xca s MET 111 N -3.75 0.33 0.27 3.99 0.00 -0.77 -2.54 119.30 116.83 1xca s MET 111 Ca 0.22 0.63 -0.10 0.00 0.00 0.00 0.00 55.69 56.44 1xca s MET 111 Cb 0.03 -0.00 -0.00 0.00 0.00 0.00 0.00 34.83 34.85 1xca s MET 111 CO 0.05 -0.13 0.46 -1.83 0.00 0.00 0.00 175.02 173.57 1xca s GLU 112 N 1.07 1.62 -0.16 4.11 -1.05 -0.97 -0.42 118.70 122.91 1xca s GLU 112 Ca -0.07 -1.39 0.00 0.00 -0.15 0.00 0.00 54.97 53.36 1xca s GLU 112 Cb -0.08 0.46 0.03 0.00 -0.44 0.00 0.00 34.13 34.10 1xca s GLU 112 CO -0.08 -0.67 -0.13 -0.51 0.95 0.00 0.00 175.26 174.82 1xca s LEU 113 N -3.07 1.76 0.50 1.83 1.43 -0.53 -2.17 118.68 118.43 1xca s LEU 113 Ca 0.25 -0.55 -0.13 0.00 -1.03 0.00 0.00 54.13 52.66 1xca s LEU 113 Cb -0.00 -1.16 -0.07 0.00 0.03 0.00 0.00 46.19 44.99 1xca s LEU 113 CO 0.12 -0.08 0.92 0.42 0.23 0.00 0.00 176.35 177.96 1xca s THR 114 N 1.49 4.65 0.47 5.49 -4.23 0.51 -4.91 115.64 119.11 1xca s THR 114 Ca 0.04 0.94 0.25 0.00 -1.18 0.00 0.00 61.69 61.74 1xca s THR 114 Cb -0.13 -3.76 0.44 0.00 1.34 0.00 0.00 72.50 70.38 1xca s THR 114 CO -0.10 -0.73 1.85 -1.13 -0.54 0.00 0.00 174.62 173.97 1xca h ASN 115 N 0.76 0.23 -1.48 3.99 -0.00 -2.00 -2.21 115.58 114.87 1xca h ASN 115 Ca -0.46 0.03 -0.64 0.00 -0.00 0.00 0.00 56.30 55.23 1xca h ASN 115 Cb 1.19 -0.01 -0.23 0.00 -0.00 0.00 0.00 38.32 39.27 1xca h ASN 115 CO 0.62 0.07 0.76 -0.90 -0.00 0.00 0.00 177.43 177.99 1xca n ASP 116 N -4.41 7.10 -3.25 1.15 5.68 -1.26 -4.86 116.55 116.70 1xca n ASP 116 Ca 0.21 -3.56 -0.23 0.00 -0.50 0.00 0.00 54.79 50.71 1xca n ASP 116 Cb 0.88 -1.12 0.02 0.00 -1.14 0.00 0.00 41.12 39.75 1xca n ASP 116 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1xca n GLY 117 N -0.00 -0.50 3.44 6.12 0.00 -0.83 -4.99 105.19 108.41 1xca n GLY 117 Ca 0.52 0.12 -0.33 0.00 0.00 0.00 0.00 46.02 46.32 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 -5.92 3.43 -0.35 1.61 2.02 -1.23 -4.18 118.70 114.08 1xca s GLU 118 Ca 0.38 -0.61 -0.16 0.00 0.02 0.00 0.00 54.97 54.60 1xca s GLU 118 Cb -0.19 -2.73 -0.01 0.00 0.10 0.00 0.00 34.13 31.31 1xca s GLU 118 CO 0.46 0.27 0.38 -1.17 0.02 0.00 0.00 175.26 175.23 1xca s LEU 119 N 0.24 4.49 -0.26 1.80 2.96 -0.41 -0.36 118.68 127.13 1xca s LEU 119 Ca -0.06 -0.27 -0.10 0.00 -0.22 0.00 0.00 54.13 53.48 1xca s LEU 119 Cb -0.15 -2.36 -0.05 0.00 0.50 0.00 0.00 46.19 44.13 1xca s LEU 119 CO 0.04 -0.38 0.16 -0.63 -1.32 0.00 0.00 176.35 174.22 1xca s ILE 120 N 2.06 5.13 -0.25 6.68 -1.09 -0.92 -0.19 121.20 132.61 1xca s ILE 120 Ca 0.12 0.11 -0.02 0.00 -2.23 0.00 0.00 60.65 58.63 1xca s ILE 120 Cb -0.17 -3.42 0.03 0.00 -1.58 0.00 0.00 42.46 37.32 1xca s ILE 120 CO 0.12 0.29 -0.05 -0.76 -1.23 0.00 0.00 174.94 173.32 1xca s LEU 121 N 1.52 3.28 -0.14 2.97 2.01 0.95 -2.28 118.68 126.99 1xca s LEU 121 Ca 0.07 -0.89 0.02 0.00 0.01 0.00 0.00 54.13 53.34 1xca s LEU 121 Cb -0.15 -1.68 0.01 0.00 0.01 0.00 0.00 46.19 44.38 1xca s LEU 121 CO 0.08 -0.14 -0.21 0.42 1.01 0.00 0.00 176.35 177.51 1xca s THR 122 N 1.33 1.96 -0.17 5.49 -4.23 -1.05 0.18 115.64 119.15 1xca s THR 122 Ca -0.00 -0.92 -0.06 0.00 -1.18 0.00 0.00 61.69 59.53 1xca s THR 122 Cb -0.17 -1.74 -0.04 0.00 1.34 0.00 0.00 72.50 71.89 1xca s THR 122 CO -0.04 0.53 0.03 -0.04 -0.54 0.00 0.00 174.62 174.57 1xca s MET 123 N 0.86 3.86 0.00 3.99 1.00 0.59 -1.36 119.30 128.24 1xca s MET 123 Ca -0.06 -0.39 0.02 0.00 0.00 0.00 0.00 55.69 55.26 1xca s MET 123 Cb -0.15 -3.12 -0.01 0.00 0.00 0.00 0.00 34.83 31.55 1xca s MET 123 CO -0.02 0.29 -0.06 -0.08 0.00 0.00 0.00 175.02 175.14 1xca s THR 124 N 0.29 0.49 -0.20 2.05 -1.32 0.04 -0.29 115.64 116.70 1xca s THR 124 Ca 0.02 -0.40 -0.03 0.00 -1.21 0.00 0.00 61.69 60.06 1xca s THR 124 Cb -0.13 -0.44 0.07 0.00 -1.51 0.00 0.00 72.50 70.49 1xca s THR 124 CO 0.01 0.05 0.06 0.00 -2.21 0.00 0.00 174.62 172.53 1xca s ALA 125 N -0.35 0.89 0.00 11.08 0.00 -0.62 -0.96 121.76 131.80 1xca s ALA 125 Ca 0.00 -0.72 0.00 0.00 0.00 0.00 0.00 51.96 51.25 1xca s ALA 125 Cb -0.04 -1.20 0.00 0.00 0.00 0.00 0.00 23.12 21.89 1xca s ALA 125 CO -0.00 -1.25 0.00 -0.25 0.00 0.00 0.00 175.76 174.26 1xca n ASP 126 N 5.10 0.00 -1.04 0.00 8.00 -0.98 -2.21 116.55 125.41 1xca n ASP 126 Ca -0.08 0.00 0.07 0.00 0.71 0.00 0.00 54.79 55.50 1xca n ASP 126 Cb 0.47 0.00 0.23 0.00 -0.02 0.00 0.00 41.12 41.80 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 5.93 3.01 -4.57 -2.24 5.75 -1.26 -4.86 116.55 118.32 1xca n ASP 127 Ca 0.00 -2.12 -0.36 0.00 -0.01 0.00 0.00 54.79 52.30 1xca n ASP 127 Cb 0.00 -0.40 -0.11 0.00 -1.03 0.00 0.00 41.12 39.59 1xca n ASP 127 CO 0.00 0.00 0.00 -0.69 -0.11 0.00 0.00 177.20 176.40 1xca s VAL 128 N -1.49 4.70 -0.17 2.12 1.01 -0.94 -5.09 120.40 120.54 1xca s VAL 128 Ca 0.35 -0.05 0.01 0.00 0.00 0.00 0.00 61.98 62.28 1xca s VAL 128 Cb 0.20 -3.16 0.02 0.00 0.00 0.00 0.00 36.38 33.44 1xca s VAL 128 CO 0.21 0.39 -0.20 -0.69 0.00 0.00 0.00 175.10 174.81 1xca s VAL 129 N 0.96 2.01 -0.30 2.92 1.01 -1.26 -1.59 120.40 124.15 1xca s VAL 129 Ca 0.04 -0.91 -0.11 0.00 0.00 0.00 0.00 61.98 61.01 1xca s VAL 129 Cb -0.14 -1.81 -0.03 0.00 0.00 0.00 0.00 36.38 34.40 1xca s VAL 129 CO 0.03 0.53 0.18 0.00 0.00 0.00 0.00 175.10 175.84 1xca s THR 131 N 1.69 4.00 -0.05 0.00 2.01 0.03 -0.30 115.64 123.03 1xca s THR 131 Ca 0.06 -0.73 -0.02 0.00 0.31 0.00 0.00 61.69 61.31 1xca s THR 131 Cb -0.17 -2.80 0.03 0.00 0.01 0.00 0.00 72.50 69.57 1xca s THR 131 CO 0.09 0.32 0.05 -0.13 -0.69 0.00 0.00 174.62 174.26 1xca s ARG 132 N -1.69 0.07 -0.13 4.92 0.52 0.13 0.38 118.95 123.15 1xca s ARG 132 Ca 0.20 0.31 -0.05 0.00 -0.52 0.00 0.00 55.73 55.68 1xca s ARG 132 Cb -0.11 -0.63 -0.04 0.00 0.52 0.00 0.00 34.95 34.69 1xca s ARG 132 CO 0.11 -0.33 0.05 0.08 0.02 0.00 0.00 175.30 175.23 1xca s VAL 133 N 2.13 4.68 0.22 3.52 1.01 0.89 -0.04 120.40 132.80 1xca s VAL 133 Ca 0.05 -0.09 0.08 0.00 0.00 0.00 0.00 61.98 62.01 1xca s VAL 133 Cb -0.12 -3.03 -0.05 0.00 0.00 0.00 0.00 36.38 33.18 1xca s VAL 133 CO -0.04 0.55 -0.14 -0.31 0.00 0.00 0.00 175.10 175.17 1xca s TYR 134 N -0.40 1.78 -0.01 5.22 1.51 0.73 -0.47 117.35 125.71 1xca s TYR 134 Ca 0.09 -0.57 0.01 0.00 -1.01 0.00 0.00 57.07 55.58 1xca s TYR 134 Cb -0.12 -0.85 0.01 0.00 -0.11 0.00 0.00 41.96 40.89 1xca s TYR 134 CO 0.02 0.37 -0.02 0.08 -1.11 0.00 0.00 175.55 174.89 1xca s VAL 135 N -2.95 0.19 0.16 0.71 1.01 -0.59 -1.28 120.40 117.65 1xca s VAL 135 Ca 0.24 -0.03 -0.34 0.00 0.00 0.00 0.00 61.98 61.85 1xca s VAL 135 Cb -0.00 -0.21 -0.14 0.00 0.00 0.00 0.00 36.38 36.03 1xca s VAL 135 CO 0.08 0.09 1.60 0.54 0.00 0.00 0.00 175.10 177.41 1xca n ARG 136 N 3.45 2.21 0.00 2.72 1.74 -1.26 -1.13 116.66 124.38 1xca n ARG 136 Ca -0.18 0.80 0.16 0.00 -0.77 0.00 0.00 57.85 57.85 1xca n ARG 136 Cb 0.56 -2.57 0.91 0.00 -1.02 0.00 0.00 32.46 30.34 1xca n ARG 136 CO 0.00 0.00 0.00 -1.91 -1.52 0.00 0.00 177.63 174.20