#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kpo s LEU 2 N 0.00 3.27 -0.10 -0.89 1.02 -0.31 -5.03 118.68 116.63 2kpo s LEU 2 Ca 0.00 -0.01 -0.01 0.00 0.02 0.00 0.00 54.13 54.13 2kpo s LEU 2 Cb 0.00 -1.73 0.03 0.00 0.02 0.00 0.00 46.19 44.51 2kpo s LEU 2 CO 0.00 0.32 -0.02 -0.76 0.02 0.00 0.00 176.35 175.92 2kpo s LEU 3 N -0.57 0.88 0.24 1.79 1.43 -1.26 -0.40 118.68 120.79 2kpo s LEU 3 Ca 0.09 -0.27 0.12 0.00 -1.03 0.00 0.00 54.13 53.03 2kpo s LEU 3 Cb -0.12 -0.59 -0.05 0.00 0.03 0.00 0.00 46.19 45.46 2kpo s LEU 3 CO 0.02 -0.19 -0.20 -0.31 0.23 0.00 0.00 176.35 175.90 2kpo s TYR 4 N 1.87 2.33 -0.04 0.29 1.51 0.06 -3.16 117.35 120.21 2kpo s TYR 4 Ca 0.04 -0.33 0.02 0.00 -1.01 0.00 0.00 57.07 55.79 2kpo s TYR 4 Cb -0.13 -1.08 0.01 0.00 -0.11 0.00 0.00 41.96 40.65 2kpo s TYR 4 CO -0.07 0.61 -0.10 0.08 -1.11 0.00 0.00 175.55 174.97 2kpo s VAL 5 N -2.11 0.90 -0.23 0.71 1.01 -0.20 -0.42 120.40 120.05 2kpo s VAL 5 Ca 0.26 -0.37 -0.03 0.00 0.00 0.00 0.00 61.98 61.84 2kpo s VAL 5 Cb -0.06 -0.82 0.01 0.00 0.00 0.00 0.00 36.38 35.50 2kpo s VAL 5 CO 0.13 0.29 -0.06 -0.76 0.00 0.00 0.00 175.10 174.70 2kpo s LEU 6 N 0.50 2.96 -0.20 3.92 1.43 0.91 -0.20 118.68 128.00 2kpo s LEU 6 Ca -0.09 -0.58 -0.05 0.00 -1.03 0.00 0.00 54.13 52.38 2kpo s LEU 6 Cb -0.13 -1.70 -0.02 0.00 0.03 0.00 0.00 46.19 44.37 2kpo s LEU 6 CO 0.02 -0.06 0.00 -0.51 0.23 0.00 0.00 176.35 176.03 2kpo s ILE 7 N 1.42 3.96 -0.34 -0.59 2.07 -0.27 -0.57 121.20 126.88 2kpo s ILE 7 Ca 0.04 -0.31 0.01 0.00 -1.41 0.00 0.00 60.65 58.98 2kpo s ILE 7 Cb -0.15 -2.79 0.09 0.00 0.13 0.00 0.00 42.46 39.74 2kpo s ILE 7 CO -0.04 0.43 0.07 -0.63 -1.91 0.00 0.00 174.94 172.85 2kpo s ILE 8 N 1.00 2.68 0.22 2.00 1.01 0.75 -1.14 121.20 127.71 2kpo s ILE 8 Ca 0.02 -2.01 -0.23 0.00 0.00 0.00 0.00 60.65 58.43 2kpo s ILE 8 Cb -0.14 -2.81 0.04 0.00 0.01 0.00 0.00 42.46 39.56 2kpo s ILE 8 CO 0.02 -0.47 0.75 -0.55 0.00 0.00 0.00 174.94 174.69 2kpo s SER 9 N 1.26 -0.31 0.00 3.58 0.15 -1.26 -2.38 113.70 114.74 2kpo s SER 9 Ca 0.05 -0.41 0.00 0.00 0.70 0.00 0.00 55.95 56.28 2kpo s SER 9 Cb -0.20 0.64 0.00 0.00 -1.71 0.00 0.00 66.02 64.75 2kpo s SER 9 CO -0.05 -1.15 0.62 0.59 1.20 0.00 0.00 173.24 174.44 2kpo n ASN 10 N -0.43 1.23 -4.62 5.45 3.02 -1.26 -5.00 115.26 113.64 2kpo n ASN 10 Ca -0.07 -1.24 -0.41 0.00 -0.03 0.00 0.00 54.58 52.83 2kpo n ASN 10 Cb 0.61 0.00 -0.06 0.00 -0.61 0.00 0.00 39.78 39.71 2kpo n ASN 10 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 2kpo s ASP 11 N -0.24 6.55 0.19 6.41 -1.08 -1.26 -4.97 116.67 122.27 2kpo s ASP 11 Ca 0.00 0.64 -0.10 0.00 -0.52 0.00 0.00 52.55 52.56 2kpo s ASP 11 Cb 0.00 -2.33 0.11 0.00 -1.46 0.00 0.00 42.92 39.23 2kpo s ASP 11 CO 0.00 -0.39 1.75 0.11 0.52 0.00 0.00 175.17 177.16 2kpo h LYS 12 N 7.97 1.00 -0.54 4.34 1.79 -2.00 -2.12 116.57 127.00 2kpo h LYS 12 Ca -0.27 -0.18 -0.04 0.00 -2.18 0.00 0.00 60.65 57.99 2kpo h LYS 12 Cb 1.12 -0.16 -0.02 0.00 -1.58 0.00 0.00 32.23 31.59 2kpo h LYS 12 CO 0.77 0.83 0.20 0.87 -1.08 0.00 0.00 179.45 181.04 2kpo h LYS 13 N 0.95 0.83 -0.46 3.15 1.79 -1.99 -1.23 116.57 119.60 2kpo h LYS 13 Ca 0.22 -0.16 0.00 0.00 -2.18 0.00 0.00 60.65 58.53 2kpo h LYS 13 Cb 0.20 -0.13 -0.02 0.00 -1.58 0.00 0.00 32.23 30.70 2kpo h LYS 13 CO -0.02 0.73 0.29 1.25 -1.08 0.00 0.00 179.45 180.62 2kpo h LEU 14 N 0.75 0.54 0.08 2.94 6.46 -1.86 -0.49 115.31 123.72 2kpo h LEU 14 Ca 0.18 -0.04 -0.00 0.00 -0.12 0.00 0.00 57.88 57.90 2kpo h LEU 14 Cb 0.23 -0.14 0.00 0.00 -0.73 0.00 0.00 40.66 40.03 2kpo h LEU 14 CO -0.01 0.42 -0.04 0.40 -0.62 0.00 0.00 178.44 178.59 2kpo h ILE 15 N 0.62 0.96 0.27 4.05 2.04 -1.19 -1.53 117.51 122.73 2kpo h ILE 15 Ca 0.17 -0.16 -0.01 0.00 1.00 0.00 0.00 64.86 65.86 2kpo h ILE 15 Cb -0.03 1.07 0.00 0.00 -0.74 0.00 0.00 36.82 37.11 2kpo h ILE 15 CO -0.03 0.04 -0.13 -0.33 0.00 0.00 0.00 178.15 177.70 2kpo h GLU 16 N -0.18 -0.35 -0.86 2.37 5.08 -1.08 -1.36 114.58 118.19 2kpo h GLU 16 Ca -0.01 0.02 0.09 0.00 -1.00 0.00 0.00 59.36 58.46 2kpo h GLU 16 Cb 0.15 0.08 -0.06 0.00 0.50 0.00 0.00 28.75 29.42 2kpo h GLU 16 CO 0.02 -0.21 0.56 0.93 -1.00 0.00 0.00 179.01 179.30 2kpo h GLU 17 N -0.39 0.85 -0.06 2.33 4.39 -1.12 -1.53 114.58 119.04 2kpo h GLU 17 Ca -0.04 -0.05 -0.00 0.00 0.34 0.00 0.00 59.36 59.61 2kpo h GLU 17 Cb 0.30 -0.19 -0.00 0.00 -0.10 0.00 0.00 28.75 28.76 2kpo h GLU 17 CO 0.06 0.56 0.02 0.00 -1.16 0.00 0.00 179.01 178.49 2kpo h ALA 18 N 1.56 0.08 -0.69 3.43 0.00 -0.98 -2.79 119.26 119.86 2kpo h ALA 18 Ca 0.39 -0.11 0.04 0.00 0.00 0.00 0.00 54.91 55.23 2kpo h ALA 18 Cb 0.36 -0.02 -0.05 0.00 0.00 0.00 0.00 17.79 18.08 2kpo h ALA 18 CO -0.16 -0.32 0.41 0.00 0.00 0.00 0.00 179.25 179.19 2kpo h ARG 19 N -0.09 0.77 -0.14 0.00 3.08 -0.68 -1.39 114.38 115.93 2kpo h ARG 19 Ca 0.02 -0.05 0.04 0.00 0.07 0.00 0.00 59.98 60.06 2kpo h ARG 19 Cb 0.20 -0.17 -0.04 0.00 0.08 0.00 0.00 29.97 30.03 2kpo h ARG 19 CO -0.00 0.51 -0.13 0.87 -1.07 0.00 0.00 179.97 180.15 2kpo h LYS 20 N 0.79 -0.14 -0.78 0.04 1.57 -1.24 0.17 116.57 116.98 2kpo h LYS 20 Ca 0.29 0.01 0.03 0.00 -1.87 0.00 0.00 60.65 59.11 2kpo h LYS 20 Cb 0.09 0.03 -0.05 0.00 0.08 0.00 0.00 32.23 32.38 2kpo h LYS 20 CO -0.14 -0.09 0.50 0.52 -0.57 0.00 0.00 179.45 179.67 2kpo h MET 21 N -0.15 0.96 -0.58 3.15 2.86 -1.22 -2.09 114.93 117.86 2kpo h MET 21 Ca 0.09 -0.06 -0.01 0.00 -2.06 0.00 0.00 59.70 57.67 2kpo h MET 21 Cb 0.28 -0.22 -0.03 0.00 0.06 0.00 0.00 31.60 31.70 2kpo h MET 21 CO -0.23 0.63 0.33 0.00 1.06 0.00 0.00 176.91 178.70 2kpo h ALA 22 N 1.32 0.74 -0.43 6.32 0.00 -0.43 -1.50 119.26 125.29 2kpo h ALA 22 Ca 0.31 -0.09 -0.01 0.00 0.00 0.00 0.00 54.91 55.12 2kpo h ALA 22 Cb -0.01 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.53 2kpo h ALA 22 CO -0.10 0.25 0.23 0.93 0.00 0.00 0.00 179.25 180.56 2kpo h GLU 23 N 0.78 0.60 -0.92 0.00 4.39 -0.35 0.55 114.58 119.62 2kpo h GLU 23 Ca 0.20 -0.07 -0.01 0.00 0.34 0.00 0.00 59.36 59.82 2kpo h GLU 23 Cb 0.03 -0.12 -0.04 0.00 -0.10 0.00 0.00 28.75 28.52 2kpo h GLU 23 CO -0.03 0.48 0.53 0.87 -1.16 0.00 0.00 179.01 179.69 2kpo h LYS 24 N 0.56 1.27 -0.07 2.33 6.56 -1.24 -1.96 116.57 124.01 2kpo h LYS 24 Ca 0.15 -0.13 0.00 0.00 -1.06 0.00 0.00 60.65 59.61 2kpo h LYS 24 Cb 0.06 -0.26 0.00 0.00 -0.57 0.00 0.00 32.23 31.46 2kpo h LYS 24 CO -0.02 0.91 0.00 0.00 -2.06 0.00 0.00 179.45 178.28 2kpo n ALA 25 N -2.40 2.56 -1.83 3.86 0.00 -0.58 -4.93 120.51 117.20 2kpo n ALA 25 Ca 0.10 -0.43 -0.19 0.00 0.00 0.00 0.00 53.44 52.92 2kpo n ALA 25 Cb 0.08 -1.17 -0.06 0.00 0.00 0.00 0.00 19.45 18.30 2kpo n ALA 25 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 2kpo n ASN 26 N 0.07 -5.36 -4.75 0.00 5.03 0.15 -4.97 115.26 105.42 2kpo n ASN 26 Ca 0.18 0.30 -0.40 0.00 0.87 0.00 0.00 54.58 55.53 2kpo n ASN 26 Cb 0.30 -4.49 -0.05 0.00 -1.02 0.00 0.00 39.78 34.52 2kpo n ASN 26 CO 0.00 0.00 0.00 -0.76 -1.83 0.00 0.00 177.26 174.67 2kpo s LEU 27 N -4.72 4.56 -0.55 3.41 1.43 0.12 -4.97 118.68 117.96 2kpo s LEU 27 Ca 0.00 1.74 -0.25 0.00 -1.03 0.00 0.00 54.13 54.58 2kpo s LEU 27 Cb 0.00 -3.44 0.04 0.00 0.03 0.00 0.00 46.19 42.81 2kpo s LEU 27 CO 0.00 0.10 1.01 -1.61 0.23 0.00 0.00 176.35 176.07 2kpo s GLU 28 N -0.71 3.40 -0.16 1.70 2.02 -1.19 -4.46 118.70 119.30 2kpo s GLU 28 Ca 0.40 -0.10 -0.08 0.00 0.02 0.00 0.00 54.97 55.22 2kpo s GLU 28 Cb -0.24 -4.03 -0.04 0.00 0.10 0.00 0.00 34.13 29.92 2kpo s GLU 28 CO 0.28 -1.51 0.12 -1.17 0.02 0.00 0.00 175.26 173.00 2kpo s LEU 29 N 4.19 4.22 0.12 1.80 0.20 -1.26 -1.03 118.68 126.92 2kpo s LEU 29 Ca 0.34 0.31 0.09 0.00 0.69 0.00 0.00 54.13 55.56 2kpo s LEU 29 Cb -0.11 -2.06 -0.04 0.00 -0.43 0.00 0.00 46.19 43.56 2kpo s LEU 29 CO 0.21 0.29 -0.21 -0.13 -0.29 0.00 0.00 176.35 176.22 2kpo s ARG 30 N -0.28 1.20 -0.16 1.98 1.81 0.72 -4.96 118.95 119.25 2kpo s ARG 30 Ca 0.11 -1.24 -0.08 0.00 -1.72 0.00 0.00 55.73 52.80 2kpo s ARG 30 Cb -0.12 -1.46 -0.04 0.00 -0.45 0.00 0.00 34.95 32.88 2kpo s ARG 30 CO 0.01 0.33 0.12 0.95 -0.68 0.00 0.00 175.30 176.03 2kpo s THR 31 N -1.32 5.31 0.01 0.02 -4.23 -1.26 -1.12 115.64 113.05 2kpo s THR 31 Ca 0.09 0.15 0.06 0.00 -1.18 0.00 0.00 61.69 60.81 2kpo s THR 31 Cb -0.09 -3.37 -0.02 0.00 1.34 0.00 0.00 72.50 70.36 2kpo s THR 31 CO 0.05 0.51 -0.18 -0.69 -0.54 0.00 0.00 174.62 173.78 2kpo s VAL 32 N -0.18 1.39 0.05 2.29 1.01 -0.30 -4.92 120.40 119.75 2kpo s VAL 32 Ca 0.10 -0.88 -0.02 0.00 0.00 0.00 0.00 61.98 61.18 2kpo s VAL 32 Cb -0.12 -1.18 -0.01 0.00 0.00 0.00 0.00 36.38 35.07 2kpo s VAL 32 CO 0.01 0.29 -0.03 0.29 0.00 0.00 0.00 175.10 175.65 2kpo n LYS 33 N 2.36 0.05 -3.17 2.72 5.02 -1.26 -4.17 118.16 119.71 2kpo n LYS 33 Ca -0.16 0.02 -0.20 0.00 -2.02 0.00 0.00 58.31 55.95 2kpo n LYS 33 Cb 0.54 -0.59 0.04 0.00 -0.02 0.00 0.00 35.03 35.00 2kpo n LYS 33 CO 0.00 0.00 0.00 0.95 -0.52 0.00 0.00 177.40 177.83 2kpo s THR 34 N -2.08 2.29 0.09 -0.18 -4.23 -1.26 -5.00 115.64 105.27 2kpo s THR 34 Ca -0.03 -1.08 -0.25 0.00 -1.18 0.00 0.00 61.69 59.15 2kpo s THR 34 Cb 0.01 -2.38 -0.13 0.00 1.34 0.00 0.00 72.50 71.34 2kpo s THR 34 CO 0.04 0.00 1.70 -0.08 -0.54 0.00 0.00 174.62 175.74 2kpo h GLU 35 N 0.40 -0.22 -0.36 3.99 4.57 -2.01 -2.76 114.58 118.19 2kpo h GLU 35 Ca -0.33 0.01 -0.06 0.00 -1.18 0.00 0.00 59.36 57.80 2kpo h GLU 35 Cb 1.29 0.05 -0.02 0.00 -0.16 0.00 0.00 28.75 29.91 2kpo h GLU 35 CO 0.45 -0.15 -0.05 0.22 -1.18 0.00 0.00 179.01 178.31 2kpo h ASP 36 N -0.23 0.56 -0.32 1.04 -0.00 -2.00 -2.75 116.42 112.72 2kpo h ASP 36 Ca 0.00 -0.13 -0.00 0.00 -0.00 0.00 0.00 57.03 56.90 2kpo h ASP 36 Cb 0.21 -0.15 -0.02 0.00 -0.00 0.00 0.00 39.33 39.38 2kpo h ASP 36 CO -0.02 0.66 0.20 -0.33 -0.00 0.00 0.00 179.24 179.75 2kpo h GLU 37 N 0.55 0.44 -0.37 0.28 5.08 -1.93 0.13 114.58 118.76 2kpo h GLU 37 Ca 0.11 -0.04 0.08 0.00 -1.00 0.00 0.00 59.36 58.51 2kpo h GLU 37 Cb 0.42 -0.09 -0.08 0.00 0.50 0.00 0.00 28.75 29.50 2kpo h GLU 37 CO 0.02 0.32 -0.16 1.25 -1.00 0.00 0.00 179.01 179.44 2kpo h LEU 38 N 0.42 -0.55 -0.53 1.33 7.12 -1.20 -0.33 115.31 121.57 2kpo h LEU 38 Ca 0.12 0.14 -0.02 0.00 0.13 0.00 0.00 57.88 58.25 2kpo h LEU 38 Cb -0.01 0.31 -0.02 0.00 -0.53 0.00 0.00 40.66 40.41 2kpo h LEU 38 CO -0.02 -0.20 0.27 0.50 -0.13 0.00 0.00 178.44 178.86 2kpo h LYS 39 N -0.09 0.75 -0.98 1.25 3.64 -1.44 -2.32 116.57 117.37 2kpo h LYS 39 Ca 0.18 -0.10 0.12 0.00 -1.27 0.00 0.00 60.65 59.58 2kpo h LYS 39 Cb 0.37 -0.14 -0.08 0.00 -0.41 0.00 0.00 32.23 31.97 2kpo h LYS 39 CO -0.43 0.61 0.62 -0.22 -2.27 0.00 0.00 179.45 177.76 2kpo h LYS 40 N 0.71 0.93 0.12 1.90 3.64 0.84 0.37 116.57 125.08 2kpo h LYS 40 Ca 0.18 -0.06 -0.28 0.00 -1.27 0.00 0.00 60.65 59.22 2kpo h LYS 40 Cb 0.10 -0.21 0.02 0.00 -0.41 0.00 0.00 32.23 31.72 2kpo h LYS 40 CO -0.03 0.62 -1.22 1.88 -2.27 0.00 0.00 179.45 178.43 2kpo h TYR 41 N 0.96 0.76 -0.26 1.91 0.05 -1.09 -3.24 116.97 116.06 2kpo h TYR 41 Ca 0.48 -0.50 0.03 0.00 0.05 0.00 0.00 58.73 58.80 2kpo h TYR 41 Cb 0.49 -0.05 -0.01 0.00 1.01 0.00 0.00 36.73 38.17 2kpo h TYR 41 CO -0.00 1.36 0.18 -0.07 -1.05 0.00 0.00 178.16 178.57 2kpo h LEU 42 N 0.18 0.18 -1.22 3.88 3.38 -0.68 -1.30 115.31 119.73 2kpo h LEU 42 Ca -0.16 -0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.81 2kpo h LEU 42 Cb 1.91 -0.04 -0.03 0.00 0.09 0.00 0.00 40.66 42.58 2kpo h LEU 42 CO 0.22 0.12 0.43 -0.33 0.09 0.00 0.00 178.44 178.97 2kpo h GLU 43 N 0.21 0.96 -0.63 1.13 5.08 -0.99 0.72 114.58 121.05 2kpo h GLU 43 Ca 0.11 -0.08 -0.08 0.00 -1.00 0.00 0.00 59.36 58.30 2kpo h GLU 43 Cb 0.18 -0.21 -0.02 0.00 0.50 0.00 0.00 28.75 29.20 2kpo h GLU 43 CO -0.02 0.67 0.06 1.49 -1.00 0.00 0.00 179.01 180.22 2kpo h GLU 44 N 0.98 1.07 0.00 2.33 4.81 -1.35 -3.07 114.58 119.35 2kpo h GLU 44 Ca 0.26 -0.30 -0.08 0.00 -0.13 0.00 0.00 59.36 59.10 2kpo h GLU 44 Cb -0.04 -0.12 -0.01 0.00 0.63 0.00 0.00 28.75 29.21 2kpo h GLU 44 CO -0.05 1.00 -0.39 0.74 -0.73 0.00 0.00 179.01 179.58 2kpo h PHE 45 N 0.99 0.00 0.00 0.92 0.05 -0.85 -2.91 116.94 115.14 2kpo h PHE 45 Ca 0.19 0.00 -0.00 0.00 3.82 0.00 0.00 57.97 61.98 2kpo h PHE 45 Cb 0.48 0.00 -0.00 0.00 2.00 0.00 0.00 35.95 38.43 2kpo h PHE 45 CO 0.03 0.39 -0.01 0.00 -0.18 0.00 0.00 178.31 178.55 2kpo h ARG 46 N 0.00 0.00 -0.12 1.51 3.08 -0.80 -2.59 114.38 115.46 2kpo h ARG 46 Ca -0.00 0.00 0.03 0.00 0.07 0.00 0.00 59.98 60.08 2kpo h ARG 46 Cb 0.77 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 30.79 2kpo h ARG 46 CO 0.05 0.01 -0.07 0.87 -1.07 0.00 0.00 179.97 179.76 2kpo h LYS 47 N 0.00 -0.07 -0.85 0.04 1.57 -1.64 -2.76 116.57 112.86 2kpo h LYS 47 Ca -0.00 0.00 -0.29 0.00 -1.87 0.00 0.00 60.65 58.50 2kpo h LYS 47 Cb 0.04 0.02 -0.17 0.00 0.08 0.00 0.00 32.23 32.20 2kpo h LYS 47 CO 0.00 -0.05 0.37 0.39 -0.57 0.00 0.00 179.45 179.59 2kpo n GLU 48 N -5.21 3.10 0.31 3.15 -0.58 -0.98 -4.65 120.64 115.78 2kpo n GLU 48 Ca -0.04 -2.80 0.10 0.00 -0.42 0.00 0.00 57.16 54.00 2kpo n GLU 48 Cb 0.14 -2.13 0.53 0.00 -0.57 0.00 0.00 31.44 29.41 2kpo n GLU 48 CO 0.00 0.00 0.00 0.66 -0.48 0.00 0.00 177.13 177.31 2kpo h SER 49 N 1.99 0.00 -0.15 1.62 4.64 -1.40 -1.13 113.55 119.13 2kpo h SER 49 Ca 0.35 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.66 2kpo h SER 49 Cb 2.38 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 64.46 2kpo h SER 49 CO 0.79 0.00 0.04 1.56 -0.87 0.00 0.00 176.83 178.35 2kpo h GLN 50 N 0.00 0.23 0.00 4.77 1.08 -1.86 -3.36 115.11 115.97 2kpo h GLN 50 Ca 0.00 -0.05 0.00 0.00 -1.45 0.00 0.00 58.65 57.15 2kpo h GLN 50 Cb 1.05 -0.03 0.00 0.00 -0.05 0.00 0.00 27.48 28.45 2kpo h GLN 50 CO 0.00 0.38 -0.15 0.09 -0.95 0.00 0.00 178.83 178.20 2kpo n ASN 51 N -4.83 1.25 -4.87 1.46 3.02 -0.53 -5.08 115.26 105.68 2kpo n ASN 51 Ca -0.05 -2.28 -0.34 0.00 -0.03 0.00 0.00 54.58 51.88 2kpo n ASN 51 Cb 0.15 -0.23 -0.05 0.00 -0.61 0.00 0.00 39.78 39.04 2kpo n ASN 51 CO 0.00 0.00 0.00 -0.51 -2.62 0.00 0.00 177.26 174.13 2kpo s ILE 52 N -1.28 5.01 -0.02 2.41 2.07 -0.57 -1.16 121.20 127.66 2kpo s ILE 52 Ca 0.12 0.50 0.01 0.00 -1.41 0.00 0.00 60.65 59.87 2kpo s ILE 52 Cb 0.11 -3.66 0.01 0.00 0.13 0.00 0.00 42.46 39.05 2kpo s ILE 52 CO 0.01 0.17 -0.04 -0.54 -1.91 0.00 0.00 174.94 172.63 2kpo s LYS 53 N -2.21 0.55 -0.02 3.50 -0.14 0.46 -4.82 119.74 117.06 2kpo s LYS 53 Ca 0.38 -0.12 0.04 0.00 -1.36 0.00 0.00 55.97 54.91 2kpo s LYS 53 Cb -0.13 -0.58 -0.03 0.00 -1.68 0.00 0.00 37.83 35.41 2kpo s LYS 53 CO 0.20 0.01 -0.12 0.08 -0.76 0.00 0.00 175.35 174.76 2kpo s VAL 54 N 0.40 3.22 -0.20 3.17 1.01 -0.96 -0.76 120.40 126.28 2kpo s VAL 54 Ca -0.05 -0.79 -0.00 0.00 0.00 0.00 0.00 61.98 61.14 2kpo s VAL 54 Cb -0.08 -2.32 0.02 0.00 0.00 0.00 0.00 36.38 33.99 2kpo s VAL 54 CO -0.00 0.50 -0.15 -0.22 0.00 0.00 0.00 175.10 175.23 2kpo s LEU 55 N -1.04 2.49 -0.16 3.92 2.96 0.44 -0.21 118.68 127.07 2kpo s LEU 55 Ca 0.14 -0.68 -0.02 0.00 -0.22 0.00 0.00 54.13 53.35 2kpo s LEU 55 Cb -0.11 -1.56 -0.02 0.00 0.50 0.00 0.00 46.19 45.01 2kpo s LEU 55 CO 0.03 -0.03 -0.08 -0.63 -1.32 0.00 0.00 176.35 174.32 2kpo s ILE 56 N 1.32 3.34 -0.27 6.68 1.01 -0.00 -0.06 121.20 133.21 2kpo s ILE 56 Ca 0.04 -0.54 -0.04 0.00 0.00 0.00 0.00 60.65 60.11 2kpo s ILE 56 Cb -0.14 -2.45 0.02 0.00 0.01 0.00 0.00 42.46 39.89 2kpo s ILE 56 CO -0.10 0.49 0.00 -0.76 0.00 0.00 0.00 174.94 174.57 2kpo s LEU 57 N 0.69 3.46 0.23 2.97 2.01 0.27 -0.29 118.68 128.02 2kpo s LEU 57 Ca -0.04 -0.77 0.08 0.00 0.01 0.00 0.00 54.13 53.41 2kpo s LEU 57 Cb -0.15 -1.76 -0.04 0.00 0.01 0.00 0.00 46.19 44.25 2kpo s LEU 57 CO 0.02 -0.15 0.01 0.68 1.01 0.00 0.00 176.35 177.93 2kpo s VAL 58 N 1.41 3.64 0.01 -1.59 -7.23 0.15 -0.18 120.40 116.60 2kpo s VAL 58 Ca 0.01 -1.67 -0.13 0.00 -1.81 0.00 0.00 61.98 58.38 2kpo s VAL 58 Cb -0.17 -2.90 -0.34 0.00 0.56 0.00 0.00 36.38 33.54 2kpo s VAL 58 CO -0.01 -0.26 0.90 -1.28 -0.31 0.00 0.00 175.10 174.13 2kpo h SER 59 N 2.20 0.75 -3.66 4.85 0.87 -1.64 0.26 113.55 117.18 2kpo h SER 59 Ca -0.46 -0.89 -0.48 0.00 -1.23 0.00 0.00 61.79 58.73 2kpo h SER 59 Cb 1.23 -0.24 -0.14 0.00 -0.44 0.00 0.00 62.40 62.81 2kpo h SER 59 CO 0.59 1.71 -0.56 0.20 -0.53 0.00 0.00 176.83 178.24 2kpo s ASN 60 N -7.46 2.23 0.45 6.23 0.01 -1.26 -4.58 114.94 110.56 2kpo s ASN 60 Ca -0.11 -1.54 0.24 0.00 -0.71 0.00 0.00 52.86 50.74 2kpo s ASN 60 Cb 0.05 0.28 1.02 0.00 0.41 0.00 0.00 41.25 43.01 2kpo s ASN 60 CO 0.91 -0.81 1.88 0.44 -1.51 0.00 0.00 177.10 178.01 2kpo h ASP 61 N 2.03 0.00 0.22 -1.22 3.32 -1.99 -2.40 116.42 116.38 2kpo h ASP 61 Ca -0.37 0.00 -0.01 0.00 0.02 0.00 0.00 57.03 56.67 2kpo h ASP 61 Cb 1.26 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.81 2kpo h ASP 61 CO 0.60 0.22 -0.10 -0.08 -1.72 0.00 0.00 179.24 178.15 2kpo h GLU 62 N 0.00 -0.28 -0.15 3.56 4.22 -2.01 -2.42 114.58 117.50 2kpo h GLU 62 Ca -0.00 0.02 -0.03 0.00 0.08 0.00 0.00 59.36 59.42 2kpo h GLU 62 Cb 0.66 0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.96 2kpo h GLU 62 CO 0.03 0.09 -0.06 1.05 -2.18 0.00 0.00 179.01 177.93 2kpo h GLU 63 N -0.74 0.23 -0.03 1.92 9.09 -1.99 -2.79 114.58 120.27 2kpo h GLU 63 Ca -0.03 -0.04 0.03 0.00 0.05 0.00 0.00 59.36 59.38 2kpo h GLU 63 Cb 0.50 -0.04 -0.05 0.00 -1.65 0.00 0.00 28.75 27.51 2kpo h GLU 63 CO 0.05 0.30 -0.25 1.25 0.05 0.00 0.00 179.01 180.41 2kpo h LEU 64 N 0.22 -0.75 -0.75 3.06 5.85 -1.31 0.11 115.31 121.73 2kpo h LEU 64 Ca 0.05 0.11 -0.09 0.00 0.84 0.00 0.00 57.88 58.79 2kpo h LEU 64 Cb 0.26 0.31 -0.02 0.00 0.37 0.00 0.00 40.66 41.58 2kpo h LEU 64 CO 0.01 -0.31 -0.03 -0.78 -0.34 0.00 0.00 178.44 176.99 2kpo h ASP 65 N -0.37 0.90 -0.39 1.25 1.82 -1.27 -2.83 116.42 115.53 2kpo h ASP 65 Ca 0.07 -0.25 -0.07 0.00 -0.39 0.00 0.00 57.03 56.39 2kpo h ASP 65 Cb 0.47 -0.24 -0.01 0.00 0.68 0.00 0.00 39.33 40.23 2kpo h ASP 65 CO -0.24 0.98 -0.04 0.11 -1.61 0.00 0.00 179.24 178.44 2kpo h LYS 66 N 0.85 0.72 -0.58 0.28 1.79 -1.26 -1.54 116.57 116.83 2kpo h LYS 66 Ca 0.15 -0.25 0.06 0.00 -2.18 0.00 0.00 60.65 58.43 2kpo h LYS 66 Cb 0.54 -0.06 -0.05 0.00 -1.58 0.00 0.00 32.23 31.08 2kpo h LYS 66 CO 0.03 0.83 0.30 0.00 -1.08 0.00 0.00 179.45 179.53 2kpo h ALA 67 N 0.86 0.76 0.00 3.86 0.00 -0.67 -1.63 119.26 122.44 2kpo h ALA 67 Ca 0.11 0.03 -0.13 0.00 0.00 0.00 0.00 54.91 54.92 2kpo h ALA 67 Cb 0.53 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.23 2kpo h ALA 67 CO 0.03 -0.05 -0.61 1.57 0.00 0.00 0.00 179.25 180.19 2kpo h LYS 68 N 0.56 0.00 0.62 0.00 2.10 -1.47 -2.94 116.57 115.45 2kpo h LYS 68 Ca 0.26 0.00 -0.03 0.00 -2.00 0.00 0.00 60.65 58.89 2kpo h LYS 68 Cb 0.18 0.00 -0.00 0.00 -0.90 0.00 0.00 32.23 31.51 2kpo h LYS 68 CO -0.19 0.61 -0.39 0.93 -2.00 0.00 0.00 179.45 178.42 2kpo h GLU 69 N 0.00 -0.92 -0.82 0.07 4.39 -0.37 -0.84 114.58 116.09 2kpo h GLU 69 Ca -0.01 0.06 0.12 0.00 0.34 0.00 0.00 59.36 59.88 2kpo h GLU 69 Cb 1.11 0.21 -0.08 0.00 -0.10 0.00 0.00 28.75 29.88 2kpo h GLU 69 CO 0.08 -0.61 0.44 -0.07 -1.16 0.00 0.00 179.01 177.69 2kpo h LEU 70 N -0.95 0.58 -0.06 1.33 3.38 -1.45 -0.58 115.31 117.55 2kpo h LEU 70 Ca -0.08 0.07 0.03 0.00 0.09 0.00 0.00 57.88 57.98 2kpo h LEU 70 Cb 0.77 -0.03 -0.03 0.00 0.09 0.00 0.00 40.66 41.46 2kpo h LEU 70 CO 0.08 0.29 -0.09 0.00 0.09 0.00 0.00 178.44 178.80 2kpo h ALA 71 N 1.50 -0.05 -0.37 1.53 0.00 -1.44 0.54 119.26 120.98 2kpo h ALA 71 Ca 0.42 0.03 0.02 0.00 0.00 0.00 0.00 54.91 55.38 2kpo h ALA 71 Cb 0.50 0.18 -0.03 0.00 0.00 0.00 0.00 17.79 18.45 2kpo h ALA 71 CO -0.31 -0.56 0.21 1.96 0.00 0.00 0.00 179.25 180.55 2kpo h GLN 72 N -0.13 0.41 -0.75 0.00 4.20 -0.33 0.17 115.11 118.68 2kpo h GLN 72 Ca 0.06 -0.02 -0.04 0.00 0.06 0.00 0.00 58.65 58.70 2kpo h GLN 72 Cb 0.21 -0.09 -0.03 0.00 0.30 0.00 0.00 27.48 27.86 2kpo h GLN 72 CO -0.14 0.27 0.30 0.87 -0.67 0.00 0.00 178.83 179.47 2kpo h LYS 73 N 0.42 1.11 -0.13 1.46 1.57 -0.88 -2.15 116.57 117.97 2kpo h LYS 73 Ca 0.15 -0.19 0.00 0.00 -1.87 0.00 0.00 60.65 58.74 2kpo h LYS 73 Cb 0.02 -0.19 0.00 0.00 0.08 0.00 0.00 32.23 32.14 2kpo h LYS 73 CO -0.08 0.89 0.00 -1.33 -0.57 0.00 0.00 179.45 178.37 2kpo n MET 74 N -4.29 1.69 -1.77 3.15 2.81 0.16 -4.93 117.12 113.94 2kpo n MET 74 Ca 0.07 -1.03 -0.15 0.00 -1.81 0.00 0.00 57.70 54.78 2kpo n MET 74 Cb 0.18 -1.41 -0.04 0.00 -0.71 0.00 0.00 33.22 31.24 2kpo n MET 74 CO 0.00 0.00 0.00 0.39 1.51 0.00 0.00 175.97 177.87 2kpo n GLU 75 N 0.26 -1.08 -3.71 0.03 -0.58 0.35 -5.00 120.64 110.91 2kpo n GLU 75 Ca 0.17 0.89 -0.37 0.00 -0.42 0.00 0.00 57.16 57.42 2kpo n GLU 75 Cb 0.33 -5.09 -0.06 0.00 -0.57 0.00 0.00 31.44 26.05 2kpo n GLU 75 CO 0.00 0.00 0.00 0.42 -0.48 0.00 0.00 177.13 177.07 2kpo s ILE 76 N -2.62 5.30 -0.48 -3.67 1.01 0.20 -5.00 121.20 115.95 2kpo s ILE 76 Ca 0.00 0.49 -0.29 0.00 0.00 0.00 0.00 60.65 60.85 2kpo s ILE 76 Cb 0.00 -3.54 0.03 0.00 0.01 0.00 0.00 42.46 38.96 2kpo s ILE 76 CO 0.00 0.60 1.13 -1.81 0.00 0.00 0.00 174.94 174.86 2kpo s ASP 77 N -1.01 6.61 -0.01 3.58 1.11 -1.26 -4.40 116.67 121.29 2kpo s ASP 77 Ca 0.19 0.42 0.07 0.00 0.18 0.00 0.00 52.55 53.41 2kpo s ASP 77 Cb -0.14 -2.54 -0.02 0.00 1.07 0.00 0.00 42.92 41.29 2kpo s ASP 77 CO 0.08 -1.26 -0.21 0.68 1.18 0.00 0.00 175.17 175.64 2kpo s VAL 78 N 4.45 1.69 -0.84 -1.27 -7.23 -1.26 -2.28 120.40 113.67 2kpo s VAL 78 Ca 0.47 -0.94 -0.12 0.00 -1.81 0.00 0.00 61.98 59.59 2kpo s VAL 78 Cb -0.07 -1.41 0.22 0.00 0.56 0.00 0.00 36.38 35.68 2kpo s VAL 78 CO 0.31 0.46 0.77 -0.13 -0.31 0.00 0.00 175.10 176.20 2kpo s ARG 79 N -0.55 3.54 -0.27 4.82 0.52 0.70 -4.95 118.95 122.76 2kpo s ARG 79 Ca 0.08 -2.57 -0.17 0.00 -0.52 0.00 0.00 55.73 52.54 2kpo s ARG 79 Cb -0.08 -4.35 -0.03 0.00 0.52 0.00 0.00 34.95 31.01 2kpo s ARG 79 CO -0.01 -1.27 0.50 0.99 0.02 0.00 0.00 175.30 175.53 2kpo s THR 80 N -0.06 5.08 0.18 0.02 2.01 -1.26 -0.82 115.64 120.79 2kpo s THR 80 Ca 0.19 0.81 0.08 0.00 0.31 0.00 0.00 61.69 63.08 2kpo s THR 80 Cb -0.11 -3.82 -0.04 0.00 0.01 0.00 0.00 72.50 68.54 2kpo s THR 80 CO -0.08 0.08 -0.15 -0.13 -0.69 0.00 0.00 174.62 173.64 2kpo s ARG 81 N 2.28 1.27 -0.29 4.92 1.81 0.60 -4.96 118.95 124.59 2kpo s ARG 81 Ca 0.20 -1.50 -0.09 0.00 -1.72 0.00 0.00 55.73 52.62 2kpo s ARG 81 Cb -0.16 -1.14 -0.02 0.00 -0.45 0.00 0.00 34.95 33.18 2kpo s ARG 81 CO 0.09 0.20 0.14 0.21 -0.68 0.00 0.00 175.30 175.27 2kpo s LYS 82 N -3.30 3.53 -0.05 3.54 2.20 -1.26 -0.68 119.74 123.72 2kpo s LYS 82 Ca 0.19 -0.58 0.05 0.00 -0.36 0.00 0.00 55.97 55.26 2kpo s LYS 82 Cb -0.02 -3.52 -0.01 0.00 -1.51 0.00 0.00 37.83 32.77 2kpo s LYS 82 CO 0.06 -0.32 -0.20 0.14 -0.36 0.00 0.00 175.35 174.68 2kpo s VAL 83 N 1.64 1.63 -0.09 4.02 -7.23 0.90 -4.93 120.40 116.34 2kpo s VAL 83 Ca 0.06 -0.83 -0.00 0.00 -1.81 0.00 0.00 61.98 59.39 2kpo s VAL 83 Cb -0.16 -1.39 -0.06 0.00 0.56 0.00 0.00 36.38 35.32 2kpo s VAL 83 CO 0.06 0.46 -0.09 0.35 -0.31 0.00 0.00 175.10 175.58 2kpo n THR 84 N 3.08 0.54 -3.21 5.32 -2.24 -1.26 -4.19 114.28 112.30 2kpo n THR 84 Ca -0.18 -0.19 -0.39 0.00 -2.27 0.00 0.00 64.05 61.02 2kpo n THR 84 Cb 0.53 -0.97 -0.06 0.00 -2.10 0.00 0.00 70.33 67.73 2kpo n THR 84 CO 0.00 0.00 0.00 -0.44 -0.57 0.00 0.00 175.07 174.06 2kpo s SER 85 N -5.07 7.05 0.31 3.42 0.01 -1.26 -4.99 113.70 113.17 2kpo s SER 85 Ca -0.13 1.24 0.05 0.00 1.31 0.00 0.00 55.95 58.42 2kpo s SER 85 Cb 0.04 -2.37 0.67 0.00 0.21 0.00 0.00 66.02 64.56 2kpo s SER 85 CO 0.21 0.18 1.85 1.55 0.41 0.00 0.00 173.24 177.44 2kpo h PRO 86 N 5.08 0.84 -0.05 12.44 0.13 -1.92 -1.08 132.00 147.44 2kpo h PRO 86 Ca -0.47 -0.05 -0.01 0.00 -0.87 0.00 0.00 66.00 64.60 2kpo h PRO 86 Cb 1.21 -0.19 -0.00 0.00 0.13 0.00 0.00 31.00 32.15 2kpo h PRO 86 CO 0.67 0.55 0.00 -0.44 -0.23 0.00 0.00 178.00 178.55 2kpo h ASP 87 N 0.86 0.06 -0.31 1.44 3.32 -1.95 -1.92 116.42 117.91 2kpo h ASP 87 Ca 0.48 -0.00 -0.12 0.00 0.02 0.00 0.00 57.03 57.41 2kpo h ASP 87 Cb 0.59 -0.01 -0.01 0.00 0.22 0.00 0.00 39.33 40.12 2kpo h ASP 87 CO -0.24 0.07 -0.26 -0.33 -1.72 0.00 0.00 179.24 176.75 2kpo h GLU 88 N 0.06 0.73 -0.43 3.56 4.39 -1.60 0.26 114.58 121.56 2kpo h GLU 88 Ca 0.02 -0.37 0.04 0.00 0.34 0.00 0.00 59.36 59.39 2kpo h GLU 88 Cb 0.04 0.00 -0.04 0.00 -0.10 0.00 0.00 28.75 28.65 2kpo h GLU 88 CO -0.00 0.99 0.19 0.00 -1.16 0.00 0.00 179.01 179.02 2kpo h ALA 89 N 0.73 0.53 -0.63 3.43 0.00 -1.38 0.11 119.26 122.05 2kpo h ALA 89 Ca 0.06 0.03 0.01 0.00 0.00 0.00 0.00 54.91 55.01 2kpo h ALA 89 Cb 0.83 -0.02 -0.03 0.00 0.00 0.00 0.00 17.79 18.56 2kpo h ALA 89 CO 0.07 -0.19 0.41 0.87 0.00 0.00 0.00 179.25 180.41 2kpo h LYS 90 N 0.38 0.80 0.21 0.00 1.57 -1.26 -2.46 116.57 115.80 2kpo h LYS 90 Ca 0.19 -0.05 -0.00 0.00 -1.87 0.00 0.00 60.65 58.92 2kpo h LYS 90 Cb 0.14 -0.18 -0.01 0.00 0.08 0.00 0.00 32.23 32.26 2kpo h LYS 90 CO -0.16 0.53 -0.17 -0.09 -0.57 0.00 0.00 179.45 178.98 2kpo h ARG 91 N 0.82 -0.38 -0.29 3.15 2.43 0.37 -1.45 114.38 119.03 2kpo h ARG 91 Ca 0.24 0.03 -0.12 0.00 -0.81 0.00 0.00 59.98 59.31 2kpo h ARG 91 Cb -0.06 0.09 -0.01 0.00 -0.42 0.00 0.00 29.97 29.56 2kpo h ARG 91 CO -0.07 -0.25 -0.33 -1.49 -1.51 0.00 0.00 179.97 176.33 2kpo h TRP 92 N -0.39 0.73 -0.79 2.20 4.06 -0.79 0.17 115.95 121.14 2kpo h TRP 92 Ca -0.01 -0.19 -0.03 0.00 2.06 0.00 0.00 58.89 60.72 2kpo h TRP 92 Cb 0.35 -0.17 -0.04 0.00 -1.00 0.00 0.00 29.16 28.31 2kpo h TRP 92 CO -0.12 0.88 0.37 0.82 -3.56 0.00 0.00 178.44 176.82 2kpo h ILE 93 N 0.53 1.25 0.69 1.49 2.04 -1.41 0.22 117.51 122.32 2kpo h ILE 93 Ca 0.06 -0.71 -0.03 0.00 1.00 0.00 0.00 64.86 65.17 2kpo h ILE 93 Cb 0.82 0.25 0.01 0.00 -0.74 0.00 0.00 36.82 37.16 2kpo h ILE 93 CO 0.07 0.30 -0.33 0.50 0.00 0.00 0.00 178.15 178.69 2kpo h LYS 94 N 1.13 -0.89 -0.97 2.37 3.64 -0.60 -2.66 116.57 118.59 2kpo h LYS 94 Ca 0.27 0.06 0.15 0.00 -1.27 0.00 0.00 60.65 59.87 2kpo h LYS 94 Cb 0.13 0.20 -0.10 0.00 -0.41 0.00 0.00 32.23 32.06 2kpo h LYS 94 CO -0.03 -0.57 0.58 0.93 -2.27 0.00 0.00 179.45 178.08 2kpo h GLU 95 N -0.99 0.79 -0.44 1.90 4.39 -0.54 0.25 114.58 119.94 2kpo h GLU 95 Ca -0.09 -0.05 0.03 0.00 0.34 0.00 0.00 59.36 59.59 2kpo h GLU 95 Cb 0.73 -0.18 -0.03 0.00 -0.10 0.00 0.00 28.75 29.16 2kpo h GLU 95 CO 0.16 0.52 0.23 0.35 -1.16 0.00 0.00 179.01 179.11 2kpo h PHE 96 N 0.82 0.43 -0.13 4.33 -0.00 -0.90 -0.92 116.94 120.57 2kpo h PHE 96 Ca 0.52 0.02 -0.15 0.00 -0.00 0.00 0.00 57.97 58.35 2kpo h PHE 96 Cb 0.69 -0.13 -0.01 0.00 -0.00 0.00 0.00 35.95 36.50 2kpo h PHE 96 CO -0.02 0.23 -0.57 0.66 -0.00 0.00 0.00 178.31 178.60 2kpo h SER 97 N 0.47 0.46 -0.30 0.41 4.64 -0.88 -2.99 113.55 115.35 2kpo h SER 97 Ca 0.18 -0.25 0.02 0.00 -0.47 0.00 0.00 61.79 61.27 2kpo h SER 97 Cb 0.06 -0.13 -0.02 0.00 -0.31 0.00 0.00 62.40 62.00 2kpo h SER 97 CO -0.11 0.93 0.15 -0.33 -0.87 0.00 0.00 176.83 176.60 2kpo h GLU 98 N 0.31 0.31 0.00 4.77 4.39 -0.51 -1.74 114.58 122.10 2kpo h GLU 98 Ca 0.00 -0.02 0.00 0.00 0.34 0.00 0.00 59.36 59.68 2kpo h GLU 98 Cb 1.10 -0.07 0.00 0.00 -0.10 0.00 0.00 28.75 29.68 2kpo h GLU 98 CO 0.10 0.20 0.00 0.39 -1.16 0.00 0.00 179.01 178.54 2kpo n GLU 99 N -4.96 0.33 0.00 2.33 1.02 -0.39 -4.90 120.64 114.06 2kpo n GLU 99 Ca -0.01 0.09 0.00 0.00 -0.02 0.00 0.00 57.16 57.22 2kpo n GLU 99 Cb 0.07 -1.50 0.00 0.00 -0.02 0.00 0.00 31.44 29.99 2kpo n GLU 99 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2kpo n GLY 100 N 0.35 1.56 0.00 0.62 0.00 -0.66 -4.34 105.19 102.71 2kpo n GLY 100 Ca 0.10 -0.03 0.00 0.00 0.00 0.00 0.00 46.02 46.09 2kpo n GLY 100 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2kpo n GLY 101 N 0.00 2.55 3.30 -0.02 0.00 -1.26 -4.87 105.19 104.88 2kpo n GLY 101 Ca 0.00 -0.89 -0.40 0.00 0.00 0.00 0.00 46.02 44.73 2kpo n GLY 101 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2kpo n SER 102 N 0.00 2.15 -0.18 1.61 7.64 -1.26 -4.48 113.62 119.10 2kpo n SER 102 Ca 0.00 -2.63 0.09 0.00 1.01 0.00 0.00 58.87 57.34 2kpo n SER 102 Cb 0.00 -1.09 0.13 0.00 -1.01 0.00 0.00 64.21 62.25 2kpo n SER 102 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 2kpo n LEU 103 N 9.61 2.17 -4.66 -3.43 4.77 -1.26 -5.06 117.00 119.13 2kpo n LEU 103 Ca 0.48 -2.98 -0.51 0.00 -0.03 0.00 0.00 56.01 52.97 2kpo n LEU 103 Cb 0.42 -0.40 -0.05 0.00 -2.33 0.00 0.00 43.42 41.06 2kpo n LEU 103 CO 1.00 0.74 1.23 -1.84 -1.33 0.00 0.00 177.39 177.19 2kpo n GLU 104 N -1.26 1.67 -2.09 3.23 0.28 -1.26 -4.80 120.64 116.41 2kpo n GLU 104 Ca 0.15 0.61 -0.40 0.00 -0.16 0.00 0.00 57.16 57.36 2kpo n GLU 104 Cb 0.66 -2.35 -0.03 0.00 1.43 0.00 0.00 31.44 31.15 2kpo n GLU 104 CO 0.00 0.00 0.00 -1.58 -0.16 0.00 0.00 177.13 175.39 2kpo s HIS 105 N 2.27 1.79 0.72 -1.84 5.65 -1.26 -4.98 115.29 117.64 2kpo s HIS 105 Ca 0.89 0.70 -0.00 0.00 0.25 0.00 0.00 55.06 56.90 2kpo s HIS 105 Cb -0.84 -4.15 0.14 0.00 -1.18 0.00 0.00 32.58 26.55 2kpo s HIS 105 CO 0.50 -2.38 0.99 0.72 -0.65 0.00 0.00 174.74 173.92 2kpo n HIS 106 N 11.74 -2.94 -3.10 3.88 8.25 -1.26 -5.14 115.22 126.66 2kpo n HIS 106 Ca 0.20 -1.75 -0.11 0.00 -0.26 0.00 0.00 57.72 55.79 2kpo n HIS 106 Cb 0.51 -0.72 0.03 0.00 1.12 0.00 0.00 29.99 30.92 2kpo n HIS 106 CO 0.00 0.00 0.00 0.72 0.64 0.00 0.00 176.34 177.70 2kpo n HIS 107 N -2.84 -2.43 -0.35 4.41 8.25 -1.26 -4.97 115.22 116.03 2kpo n HIS 107 Ca 0.16 -1.18 -0.01 0.00 -0.26 0.00 0.00 57.72 56.43 2kpo n HIS 107 Cb 0.59 -0.30 0.00 0.00 1.12 0.00 0.00 29.99 31.40 2kpo n HIS 107 CO 0.00 0.00 0.00 0.72 0.64 0.00 0.00 176.34 177.70 2kpo n HIS 108 N -1.64 0.10 0.00 4.41 8.25 -1.26 -4.71 115.22 120.36 2kpo n HIS 108 Ca 0.08 -1.00 0.00 0.00 -0.26 0.00 0.00 57.72 56.54 2kpo n HIS 108 Cb 0.33 -0.50 0.00 0.00 1.12 0.00 0.00 29.99 30.94 2kpo n HIS 108 CO 0.00 0.00 0.00 1.58 0.64 0.00 0.00 176.34 178.56 2kpo n HIS 109 N 1.31 0.00 0.83 4.41 -0.00 -1.26 -5.39 115.22 115.11 2kpo n HIS 109 Ca 0.02 0.00 0.07 0.00 -0.00 0.00 0.00 57.72 57.81 2kpo n HIS 109 Cb 0.51 0.00 0.39 0.00 -0.00 0.00 0.00 29.99 30.89 2kpo n HIS 109 CO 0.00 0.00 0.00 1.58 -0.00 0.00 0.00 176.34 177.92