#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 4.16 -0.14 -0.89 1.02 0.21 -5.01 118.68 118.03 2kpo s LEU 2 Ca 0.00 1.48 -0.03 0.00 0.02 0.00 0.00 54.13 55.60 2kpo s LEU 2 Cb 0.00 -3.55 0.05 0.00 0.02 0.00 0.00 46.19 42.71 2kpo s LEU 2 CO 0.00 -0.61 0.04 -0.76 0.02 0.00 0.00 176.35 175.04 2kpo s LEU 3 N 2.81 0.78 0.21 1.79 1.43 -1.26 -0.62 118.68 123.83 2kpo s LEU 3 Ca 0.47 -0.51 0.11 0.00 -1.03 0.00 0.00 54.13 53.17 2kpo s LEU 3 Cb -0.17 -0.45 -0.05 0.00 0.03 0.00 0.00 46.19 45.55 2kpo s LEU 3 CO 0.11 -0.28 -0.22 -0.31 0.23 0.00 0.00 176.35 175.89 2kpo s TYR 4 N 1.97 2.33 -0.09 0.29 1.51 -0.63 -4.11 117.35 118.62 2kpo s TYR 4 Ca 0.02 -0.34 0.03 0.00 -1.01 0.00 0.00 57.07 55.77 2kpo s TYR 4 Cb -0.15 -1.12 0.01 0.00 -0.11 0.00 0.00 41.96 40.59 2kpo s TYR 4 CO -0.07 0.56 -0.18 0.08 -1.11 0.00 0.00 175.55 174.82 2kpo s VAL 5 N -1.88 1.62 -0.16 0.71 1.01 -0.14 -0.69 120.40 120.87 2kpo s VAL 5 Ca 0.23 -0.75 -0.00 0.00 0.00 0.00 0.00 61.98 61.46 2kpo s VAL 5 Cb -0.07 -1.43 -0.00 0.00 0.00 0.00 0.00 36.38 34.87 2kpo s VAL 5 CO 0.12 0.46 -0.13 -0.76 0.00 0.00 0.00 175.10 174.79 2kpo s LEU 6 N 0.57 2.58 -0.16 3.92 1.43 0.47 -0.77 118.68 126.73 2kpo s LEU 6 Ca -0.15 -0.43 -0.00 0.00 -1.03 0.00 0.00 54.13 52.51 2kpo s LEU 6 Cb -0.17 -1.60 -0.00 0.00 0.03 0.00 0.00 46.19 44.45 2kpo s LEU 6 CO 0.05 0.08 -0.14 -0.51 0.23 0.00 0.00 176.35 176.07 2kpo s ILE 7 N 0.83 2.81 -0.34 -0.59 2.07 -0.74 -0.63 121.20 124.60 2kpo s ILE 7 Ca -0.04 -0.72 -0.01 0.00 -1.41 0.00 0.00 60.65 58.46 2kpo s ILE 7 Cb -0.15 -2.20 0.08 0.00 0.13 0.00 0.00 42.46 40.32 2kpo s ILE 7 CO 0.00 0.51 0.08 -0.63 -1.91 0.00 0.00 174.94 172.99 2kpo s ILE 8 N 0.78 2.94 -0.03 2.00 1.01 0.36 -0.92 121.20 127.34 2kpo s ILE 8 Ca -0.05 -1.80 -0.29 0.00 0.00 0.00 0.00 60.65 58.51 2kpo s ILE 8 Cb -0.15 -2.89 0.07 0.00 0.01 0.00 0.00 42.46 39.49 2kpo s ILE 8 CO 0.01 -0.40 0.64 -0.55 0.00 0.00 0.00 174.94 174.63 2kpo s SER 9 N 1.40 -0.61 0.00 3.58 0.15 -1.26 -2.20 113.70 114.76 2kpo s SER 9 Ca 0.02 0.61 0.24 0.00 0.70 0.00 0.00 55.95 57.52 2kpo s SER 9 Cb -0.21 0.52 0.24 0.00 -1.71 0.00 0.00 66.02 64.86 2kpo s SER 9 CO -0.04 -0.62 1.24 0.59 1.20 0.00 0.00 173.24 175.62 2kpo n ASN 10 N 0.86 1.52 -4.58 5.45 3.02 -1.26 -4.89 115.26 115.38 2kpo n ASN 10 Ca -0.19 -1.20 -0.40 0.00 -0.03 0.00 0.00 54.58 52.76 2kpo n ASN 10 Cb 0.57 0.41 -0.08 0.00 -0.61 0.00 0.00 39.78 40.07 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 -2.57 6.31 0.23 6.41 2.15 -1.26 -4.97 116.67 122.97 2kpo s ASP 11 Ca 0.19 0.18 -0.05 0.00 0.43 0.00 0.00 52.55 53.30 2kpo s ASP 11 Cb 0.18 -2.25 0.23 0.00 -0.30 0.00 0.00 42.92 40.78 2kpo s ASP 11 CO 0.59 -0.33 1.76 0.11 -0.17 0.00 0.00 175.17 177.13 2kpo h LYS 12 N 8.27 1.02 -0.19 4.34 1.79 -2.00 -2.61 116.57 127.19 2kpo h LYS 12 Ca -0.29 -0.23 -0.01 0.00 -2.18 0.00 0.00 60.65 57.93 2kpo h LYS 12 Cb 1.14 -0.14 -0.01 0.00 -1.58 0.00 0.00 32.23 31.64 2kpo h LYS 12 CO 0.71 0.90 0.06 0.87 -1.08 0.00 0.00 179.45 180.92 2kpo h LYS 13 N 0.97 0.29 -0.80 3.15 1.79 -1.99 0.11 116.57 120.09 2kpo h LYS 13 Ca 0.21 -0.06 0.12 0.00 -2.18 0.00 0.00 60.65 58.74 2kpo h LYS 13 Cb 0.35 -0.04 -0.06 0.00 -1.58 0.00 0.00 32.23 30.90 2kpo h LYS 13 CO 0.00 0.39 0.52 1.25 -1.08 0.00 0.00 179.45 180.53 2kpo h LEU 14 N 0.13 0.58 -0.06 2.94 6.46 -1.91 -0.57 115.31 122.88 2kpo h LEU 14 Ca 0.06 0.02 -0.02 0.00 -0.12 0.00 0.00 57.88 57.83 2kpo h LEU 14 Cb 0.22 -0.09 -0.00 0.00 -0.73 0.00 0.00 40.66 40.05 2kpo h LEU 14 CO -0.00 0.32 -0.02 0.40 -0.62 0.00 0.00 178.44 178.52 2kpo h ILE 15 N 0.63 1.32 0.16 4.05 2.04 -1.01 -2.56 117.51 122.14 2kpo h ILE 15 Ca 0.39 -1.00 0.00 0.00 1.00 0.00 0.00 64.86 65.25 2kpo h ILE 15 Cb 0.62 1.86 -0.01 0.00 -0.74 0.00 0.00 36.82 38.55 2kpo h ILE 15 CO -0.15 0.27 -0.15 -0.33 0.00 0.00 0.00 178.15 177.79 2kpo h GLU 16 N -0.25 -0.32 -0.78 2.37 5.08 0.10 -0.70 114.58 120.08 2kpo h GLU 16 Ca 0.01 0.02 0.02 0.00 -1.00 0.00 0.00 59.36 58.41 2kpo h GLU 16 Cb 0.45 0.07 -0.04 0.00 0.50 0.00 0.00 28.75 29.73 2kpo h GLU 16 CO 0.01 -0.21 0.52 0.93 -1.00 0.00 0.00 179.01 179.25 2kpo h GLU 17 N -0.33 1.00 -0.26 2.33 4.39 -1.24 -1.11 114.58 119.36 2kpo h GLU 17 Ca -0.00 -0.06 -0.02 0.00 0.34 0.00 0.00 59.36 59.61 2kpo h GLU 17 Cb 0.31 -0.23 -0.01 0.00 -0.10 0.00 0.00 28.75 28.72 2kpo h GLU 17 CO -0.03 0.66 0.07 0.00 -1.16 0.00 0.00 179.01 178.55 2kpo h ALA 18 N 1.52 0.34 -0.89 3.43 0.00 -1.14 -2.70 119.26 119.82 2kpo h ALA 18 Ca 0.29 -0.16 0.01 0.00 0.00 0.00 0.00 54.91 55.05 2kpo h ALA 18 Cb -0.08 -0.10 -0.04 0.00 0.00 0.00 0.00 17.79 17.57 2kpo h ALA 18 CO -0.07 -0.01 0.58 0.00 0.00 0.00 0.00 179.25 179.75 2kpo h ARG 19 N 0.25 1.17 0.19 0.00 3.08 -0.60 -0.80 114.38 117.67 2kpo h ARG 19 Ca 0.08 -0.08 0.01 0.00 0.07 0.00 0.00 59.98 60.07 2kpo h ARG 19 Cb 0.28 -0.26 -0.04 0.00 0.08 0.00 0.00 29.97 30.03 2kpo h ARG 19 CO 0.00 0.79 -0.37 0.87 -1.07 0.00 0.00 179.97 180.19 2kpo h LYS 20 N 1.21 -0.62 -0.98 0.04 1.57 -1.08 -1.27 116.57 115.44 2kpo h LYS 20 Ca 0.32 0.04 0.00 0.00 -1.87 0.00 0.00 60.65 59.15 2kpo h LYS 20 Cb -0.12 0.14 -0.05 0.00 0.08 0.00 0.00 32.23 32.28 2kpo h LYS 20 CO -0.07 -0.41 0.62 0.52 -0.57 0.00 0.00 179.45 179.54 2kpo h MET 21 N -0.65 1.31 -0.70 3.15 2.86 -1.19 -0.47 114.93 119.24 2kpo h MET 21 Ca 0.01 -0.10 0.08 0.00 -2.06 0.00 0.00 59.70 57.64 2kpo h MET 21 Cb 0.64 -0.28 -0.07 0.00 0.06 0.00 0.00 31.60 31.95 2kpo h MET 21 CO -0.17 0.89 0.36 0.00 1.06 0.00 0.00 176.91 179.05 2kpo h ALA 22 N 1.34 0.96 -0.33 6.32 0.00 -0.86 0.33 119.26 127.03 2kpo h ALA 22 Ca 0.35 0.04 -0.05 0.00 0.00 0.00 0.00 54.91 55.26 2kpo h ALA 22 Cb -0.11 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 17.60 2kpo h ALA 22 CO -0.07 -0.01 0.00 0.93 0.00 0.00 0.00 179.25 180.10 2kpo h GLU 23 N 0.63 0.58 0.00 0.00 5.08 -0.51 0.83 114.58 121.19 2kpo h GLU 23 Ca 0.34 -0.18 0.00 0.00 -1.00 0.00 0.00 59.36 58.52 2kpo h GLU 23 Cb 0.32 -0.05 0.00 0.00 0.50 0.00 0.00 28.75 29.51 2kpo h GLU 23 CO -0.24 0.70 0.00 0.87 -1.00 0.00 0.00 179.01 179.34 2kpo h LYS 24 N 0.38 0.00 -0.01 2.33 6.56 -0.39 -1.89 116.57 123.55 2kpo h LYS 24 Ca 0.09 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.68 2kpo h LYS 24 Cb 0.44 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 32.10 2kpo h LYS 24 CO 0.02 0.00 -0.51 0.00 -2.06 0.00 0.00 179.45 176.90 2kpo n ALA 25 N -2.00 3.63 -2.00 3.86 0.00 0.11 -4.98 120.51 119.13 2kpo n ALA 25 Ca 0.00 -0.63 -0.15 0.00 0.00 0.00 0.00 53.44 52.66 2kpo n ALA 25 Cb 0.23 -0.81 -0.03 0.00 0.00 0.00 0.00 19.45 18.84 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 -0.17 -4.70 -4.75 0.00 4.13 -0.32 -5.02 115.26 104.43 2kpo n ASN 26 Ca 0.09 0.12 -0.31 0.00 1.68 0.00 0.00 54.58 56.16 2kpo n ASN 26 Cb 0.45 -3.74 -0.07 0.00 -1.54 0.00 0.00 39.78 34.88 2kpo n ASN 26 CO 0.00 0.00 0.00 -0.76 0.28 0.00 0.00 177.26 176.78 2kpo s LEU 27 N -4.10 3.72 -0.12 3.41 1.43 0.14 -5.01 118.68 118.14 2kpo s LEU 27 Ca 0.00 -0.02 -0.25 0.00 -1.03 0.00 0.00 54.13 52.83 2kpo s LEU 27 Cb 0.00 -2.35 -0.02 0.00 0.03 0.00 0.00 46.19 43.85 2kpo s LEU 27 CO 0.00 0.20 0.81 -1.61 0.23 0.00 0.00 176.35 175.98 2kpo s GLU 28 N -2.19 4.37 -0.06 1.70 8.01 -1.26 -4.33 118.70 124.95 2kpo s GLU 28 Ca 0.27 1.03 0.02 0.00 0.01 0.00 0.00 54.97 56.30 2kpo s GLU 28 Cb -0.12 -3.52 -0.03 0.00 -4.31 0.00 0.00 34.13 26.15 2kpo s GLU 28 CO 0.19 -0.18 -0.12 -1.17 0.01 0.00 0.00 175.26 173.99 2kpo s LEU 29 N 1.62 2.87 -0.08 1.80 0.20 -1.26 -0.97 118.68 122.87 2kpo s LEU 29 Ca 0.40 -0.15 0.03 0.00 0.69 0.00 0.00 54.13 55.10 2kpo s LEU 29 Cb -0.17 -1.60 0.01 0.00 -0.43 0.00 0.00 46.19 43.99 2kpo s LEU 29 CO 0.16 0.34 -0.16 -0.13 -0.29 0.00 0.00 176.35 176.27 2kpo s ARG 30 N -0.69 2.15 -0.07 1.98 1.81 0.05 -4.98 118.95 119.20 2kpo s ARG 30 Ca 0.10 -0.57 -0.27 0.00 -1.72 0.00 0.00 55.73 53.28 2kpo s ARG 30 Cb -0.11 -1.72 -0.02 0.00 -0.45 0.00 0.00 34.95 32.65 2kpo s ARG 30 CO 0.01 0.07 0.88 0.95 -0.68 0.00 0.00 175.30 176.53 2kpo s THR 31 N 0.59 4.90 -0.12 0.02 -4.23 -1.26 -1.80 115.64 113.74 2kpo s THR 31 Ca -0.15 1.80 0.02 0.00 -1.18 0.00 0.00 61.69 62.18 2kpo s THR 31 Cb -0.16 -4.21 -0.00 0.00 1.34 0.00 0.00 72.50 69.47 2kpo s THR 31 CO 0.05 0.13 -0.19 -0.69 -0.54 0.00 0.00 174.62 173.37 2kpo s VAL 32 N 1.39 2.47 -0.26 2.29 1.01 -0.10 -4.96 120.40 122.24 2kpo s VAL 32 Ca 0.45 -0.87 -0.09 0.00 0.00 0.00 0.00 61.98 61.47 2kpo s VAL 32 Cb -0.19 -1.99 -0.13 0.00 0.00 0.00 0.00 36.38 34.07 2kpo s VAL 32 CO 0.20 0.54 -0.31 0.29 0.00 0.00 0.00 175.10 175.82 2kpo n LYS 33 N 3.64 0.57 -4.42 2.72 5.02 -1.26 -4.07 118.16 120.35 2kpo n LYS 33 Ca -0.19 0.22 -0.26 0.00 -2.02 0.00 0.00 58.31 56.06 2kpo n LYS 33 Cb 0.53 -1.45 -0.09 0.00 -0.02 0.00 0.00 35.03 33.99 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 -2.48 2.34 0.11 -0.18 -4.23 -1.26 -4.98 115.64 104.95 2kpo s THR 34 Ca -0.36 -2.00 -0.23 0.00 -1.18 0.00 0.00 61.69 57.93 2kpo s THR 34 Cb 0.13 -2.83 -0.09 0.00 1.34 0.00 0.00 72.50 71.04 2kpo s THR 34 CO 0.49 -0.13 1.71 -0.08 -0.54 0.00 0.00 174.62 176.07 2kpo h GLU 35 N 1.80 -0.11 -0.92 3.99 4.81 -1.99 -2.04 114.58 120.12 2kpo h GLU 35 Ca -0.43 0.01 0.19 0.00 -0.13 0.00 0.00 59.36 59.00 2kpo h GLU 35 Cb 1.25 0.02 -0.07 0.00 0.63 0.00 0.00 28.75 30.58 2kpo h GLU 35 CO 0.71 -0.07 0.60 0.22 -0.73 0.00 0.00 179.01 179.74 2kpo h ASP 36 N -0.11 0.51 0.21 1.04 1.82 -1.98 0.52 116.42 118.43 2kpo h ASP 36 Ca 0.04 0.05 -0.01 0.00 -0.39 0.00 0.00 57.03 56.72 2kpo h ASP 36 Cb 0.16 -0.04 0.00 0.00 0.68 0.00 0.00 39.33 40.13 2kpo h ASP 36 CO -0.10 0.21 -0.10 -0.33 -1.61 0.00 0.00 179.24 177.31 2kpo h GLU 37 N 0.51 -0.28 -0.65 0.28 5.08 -1.84 -0.12 114.58 117.57 2kpo h GLU 37 Ca 0.49 0.02 0.13 0.00 -1.00 0.00 0.00 59.36 58.99 2kpo h GLU 37 Cb 1.06 0.06 -0.10 0.00 0.50 0.00 0.00 28.75 30.27 2kpo h GLU 37 CO -0.22 0.05 0.13 1.25 -1.00 0.00 0.00 179.01 179.22 2kpo h LEU 38 N -0.63 -0.02 -0.39 1.33 7.12 -0.61 0.92 115.31 123.04 2kpo h LEU 38 Ca -0.03 0.13 0.05 0.00 0.13 0.00 0.00 57.88 58.16 2kpo h LEU 38 Cb 0.45 0.18 -0.05 0.00 -0.53 0.00 0.00 40.66 40.71 2kpo h LEU 38 CO 0.05 -0.02 0.12 0.50 -0.13 0.00 0.00 178.44 178.97 2kpo h LYS 39 N 0.25 0.27 -0.28 1.25 3.64 -0.92 -1.86 116.57 118.93 2kpo h LYS 39 Ca 0.35 -0.02 0.02 0.00 -1.27 0.00 0.00 60.65 59.73 2kpo h LYS 39 Cb 0.54 -0.06 -0.03 0.00 -0.41 0.00 0.00 32.23 32.28 2kpo h LYS 39 CO -0.45 0.18 0.12 -0.22 -2.27 0.00 0.00 179.45 176.81 2kpo h LYS 40 N 0.28 0.26 -0.76 1.90 3.64 0.11 -0.88 116.57 121.10 2kpo h LYS 40 Ca 0.18 -0.02 -0.06 0.00 -1.27 0.00 0.00 60.65 59.49 2kpo h LYS 40 Cb 0.18 -0.06 -0.03 0.00 -0.41 0.00 0.00 32.23 31.91 2kpo h LYS 40 CO -0.20 0.17 0.25 1.88 -2.27 0.00 0.00 179.45 179.28 2kpo h TYR 41 N 0.26 1.21 -0.50 1.91 0.05 -0.99 -2.16 116.97 116.75 2kpo h TYR 41 Ca 0.12 -0.12 0.01 0.00 0.05 0.00 0.00 58.73 58.79 2kpo h TYR 41 Cb 0.06 -0.35 -0.03 0.00 1.01 0.00 0.00 36.73 37.42 2kpo h TYR 41 CO -0.11 0.94 0.33 -0.07 -1.05 0.00 0.00 178.16 178.21 2kpo h LEU 42 N 1.13 0.56 -1.71 3.88 3.38 -0.95 -1.75 115.31 119.85 2kpo h LEU 42 Ca 0.25 -0.01 -0.02 0.00 0.09 0.00 0.00 57.88 58.19 2kpo h LEU 42 Cb 0.29 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 40.89 2kpo h LEU 42 CO -0.01 0.41 0.01 -0.33 0.09 0.00 0.00 178.44 178.61 2kpo h GLU 43 N 0.67 0.19 -0.51 1.13 5.08 -0.86 -0.08 114.58 120.21 2kpo h GLU 43 Ca 0.19 -0.02 -0.04 0.00 -1.00 0.00 0.00 59.36 58.48 2kpo h GLU 43 Cb -0.06 -0.04 -0.02 0.00 0.50 0.00 0.00 28.75 29.13 2kpo h GLU 43 CO -0.05 0.20 0.15 1.49 -1.00 0.00 0.00 179.01 179.80 2kpo h GLU 44 N 0.19 0.80 0.00 2.33 4.81 -0.83 -2.87 114.58 119.01 2kpo h GLU 44 Ca 0.05 -0.18 0.00 0.00 -0.13 0.00 0.00 59.36 59.10 2kpo h GLU 44 Cb 0.12 -0.11 0.00 0.00 0.63 0.00 0.00 28.75 29.38 2kpo h GLU 44 CO 0.00 0.75 0.00 0.74 -0.73 0.00 0.00 179.01 179.77 2kpo h PHE 45 N 0.69 0.00 0.00 0.92 0.05 -0.25 -2.53 116.94 115.83 2kpo h PHE 45 Ca 0.16 0.00 0.00 0.00 3.82 0.00 0.00 57.97 61.95 2kpo h PHE 45 Cb 0.30 0.00 0.00 0.00 2.00 0.00 0.00 35.95 38.25 2kpo h PHE 45 CO 0.02 0.00 0.00 0.54 -0.18 0.00 0.00 178.31 178.69 2kpo n ARG 46 N -3.04 0.07 0.00 1.51 1.74 -0.21 -3.46 116.66 113.28 2kpo n ARG 46 Ca 0.00 0.35 0.00 0.00 -0.77 0.00 0.00 57.85 57.43 2kpo n ARG 46 Cb 0.28 -1.65 0.00 0.00 -1.02 0.00 0.00 32.46 30.08 2kpo n ARG 46 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 2kpo n LYS 47 N -1.78 0.00 -1.62 5.56 5.02 -0.95 -3.45 118.16 120.94 2kpo n LYS 47 Ca 0.02 0.51 -0.33 0.00 -2.02 0.00 0.00 58.31 56.50 2kpo n LYS 47 Cb 0.17 -1.49 -0.04 0.00 -0.02 0.00 0.00 35.03 33.64 2kpo n LYS 47 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27 2kpo n GLU 48 N -2.02 3.53 -0.90 1.97 4.71 -1.22 -4.80 120.64 121.91 2kpo n GLU 48 Ca 0.00 -2.64 -0.12 0.00 -0.01 0.00 0.00 57.16 54.39 2kpo n GLU 48 Cb 0.00 -2.45 -0.14 0.00 -1.01 0.00 0.00 31.44 27.84 2kpo n GLU 48 CO 0.00 0.00 0.00 -1.13 0.09 0.00 0.00 177.13 176.09 2kpo n SER 49 N 1.89 4.83 0.03 1.62 3.41 -1.22 -3.95 113.62 120.23 2kpo n SER 49 Ca 0.59 -2.37 0.00 0.00 -0.26 0.00 0.00 58.87 56.83 2kpo n SER 49 Cb 0.41 -1.26 0.00 0.00 -0.26 0.00 0.00 64.21 63.10 2kpo n SER 49 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2kpo n GLN 50 N 2.66 0.00 -1.46 4.33 1.13 -1.26 -4.89 117.38 117.89 2kpo n GLN 50 Ca 0.40 0.00 -0.20 0.00 -1.94 0.00 0.00 57.00 55.26 2kpo n GLN 50 Cb 0.76 -0.23 0.09 0.00 0.11 0.00 0.00 30.24 30.98 2kpo n GLN 50 CO 0.00 0.00 0.00 0.09 -1.44 0.00 0.00 177.06 175.71 2kpo n ASN 51 N -2.99 4.78 -4.47 1.08 3.02 -1.25 -5.02 115.26 110.40 2kpo n ASN 51 Ca 0.00 -3.78 -0.33 0.00 -0.03 0.00 0.00 54.58 50.44 2kpo n ASN 51 Cb 0.00 -0.59 -0.13 0.00 -0.61 0.00 0.00 39.78 38.44 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 -4.21 3.16 -0.02 2.41 2.07 -1.26 -0.62 121.20 122.74 2kpo s ILE 52 Ca 0.52 -0.67 0.02 0.00 -1.41 0.00 0.00 60.65 59.12 2kpo s ILE 52 Cb 0.43 -2.27 0.00 0.00 0.13 0.00 0.00 42.46 40.76 2kpo s ILE 52 CO 0.01 0.58 -0.08 -0.54 -1.91 0.00 0.00 174.94 173.00 2kpo s LYS 53 N -0.47 0.82 -0.06 3.50 1.02 0.21 -4.74 119.74 120.02 2kpo s LYS 53 Ca 0.06 -0.28 0.06 0.00 0.02 0.00 0.00 55.97 55.83 2kpo s LYS 53 Cb -0.12 -0.78 -0.01 0.00 -0.52 0.00 0.00 37.83 36.40 2kpo s LYS 53 CO 0.02 0.12 -0.25 0.08 -0.92 0.00 0.00 175.35 174.40 2kpo s VAL 54 N 0.09 2.04 -0.22 3.17 1.01 -1.09 -1.61 120.40 123.80 2kpo s VAL 54 Ca -0.01 -1.06 -0.08 0.00 0.00 0.00 0.00 61.98 60.82 2kpo s VAL 54 Cb -0.07 -1.73 -0.04 0.00 0.00 0.00 0.00 36.38 34.55 2kpo s VAL 54 CO 0.00 0.57 0.09 -0.22 0.00 0.00 0.00 175.10 175.54 2kpo s LEU 55 N -0.17 3.74 -0.21 3.92 2.96 0.14 -0.53 118.68 128.53 2kpo s LEU 55 Ca -0.03 -0.02 -0.02 0.00 -0.22 0.00 0.00 54.13 53.83 2kpo s LEU 55 Cb -0.14 -1.98 0.00 0.00 0.50 0.00 0.00 46.19 44.57 2kpo s LEU 55 CO 0.04 0.07 -0.09 -0.63 -1.32 0.00 0.00 176.35 174.41 2kpo s ILE 56 N 1.03 2.96 -0.29 6.68 1.01 -0.51 -0.39 121.20 131.67 2kpo s ILE 56 Ca 0.05 -0.66 -0.09 0.00 0.00 0.00 0.00 60.65 59.95 2kpo s ILE 56 Cb -0.14 -2.33 -0.02 0.00 0.01 0.00 0.00 42.46 39.98 2kpo s ILE 56 CO 0.03 0.44 0.14 -0.76 0.00 0.00 0.00 174.94 174.79 2kpo s LEU 57 N 1.41 3.94 -0.06 2.97 2.01 0.20 -0.35 118.68 128.80 2kpo s LEU 57 Ca 0.05 -0.40 0.05 0.00 0.01 0.00 0.00 54.13 53.85 2kpo s LEU 57 Cb -0.14 -1.99 -0.01 0.00 0.01 0.00 0.00 46.19 44.05 2kpo s LEU 57 CO -0.06 -0.14 -0.22 0.68 1.01 0.00 0.00 176.35 177.61 2kpo s VAL 58 N 1.63 2.31 0.14 -1.59 -7.23 -0.40 -0.49 120.40 114.77 2kpo s VAL 58 Ca 0.05 -0.98 0.01 0.00 -1.81 0.00 0.00 61.98 59.26 2kpo s VAL 58 Cb -0.16 -1.86 -0.18 0.00 0.56 0.00 0.00 36.38 34.73 2kpo s VAL 58 CO 0.06 0.57 1.32 0.28 -0.31 0.00 0.00 175.10 177.02 2kpo h SER 59 N 5.91 0.27 -2.81 4.85 0.02 -1.60 0.26 113.55 120.45 2kpo h SER 59 Ca -0.35 -0.24 -0.61 0.00 -0.84 0.00 0.00 61.79 59.74 2kpo h SER 59 Cb 1.17 -0.08 -0.13 0.00 0.14 0.00 0.00 62.40 63.49 2kpo h SER 59 CO 0.48 1.08 -0.71 0.20 -1.14 0.00 0.00 176.83 176.74 2kpo s ASN 60 N -6.95 4.24 0.33 3.07 0.01 -1.26 -4.67 114.94 109.71 2kpo s ASN 60 Ca -0.03 -0.63 0.07 0.00 -0.71 0.00 0.00 52.86 51.57 2kpo s ASN 60 Cb 0.09 -0.70 0.57 0.00 0.41 0.00 0.00 41.25 41.62 2kpo s ASN 60 CO 0.84 0.08 1.78 -0.78 -1.51 0.00 0.00 177.10 177.52 2kpo h ASP 61 N 2.69 0.27 -0.61 -1.22 1.82 -1.97 -2.23 116.42 115.18 2kpo h ASP 61 Ca -0.46 -0.09 -0.03 0.00 -0.39 0.00 0.00 57.03 56.06 2kpo h ASP 61 Cb 1.22 -0.07 -0.03 0.00 0.68 0.00 0.00 39.33 41.12 2kpo h ASP 61 CO 0.55 0.56 0.26 -0.08 -1.61 0.00 0.00 179.24 178.92 2kpo h GLU 62 N 0.25 0.90 -0.39 0.28 4.22 -2.00 -2.55 114.58 115.29 2kpo h GLU 62 Ca 0.04 -0.15 -0.07 0.00 0.08 0.00 0.00 59.36 59.26 2kpo h GLU 62 Cb 0.63 -0.15 -0.02 0.00 0.50 0.00 0.00 28.75 29.71 2kpo h GLU 62 CO 0.05 0.75 -0.05 0.93 -2.18 0.00 0.00 179.01 178.51 2kpo h GLU 63 N 0.84 0.64 -0.37 1.92 4.39 -1.88 -1.84 114.58 118.28 2kpo h GLU 63 Ca 0.21 -0.17 0.08 0.00 0.34 0.00 0.00 59.36 59.81 2kpo h GLU 63 Cb 0.17 -0.08 -0.07 0.00 -0.10 0.00 0.00 28.75 28.67 2kpo h GLU 63 CO -0.02 0.70 -0.11 1.25 -1.16 0.00 0.00 179.01 179.67 2kpo h LEU 64 N 0.60 -0.39 0.60 1.33 5.85 -1.02 0.11 115.31 122.39 2kpo h LEU 64 Ca 0.12 0.12 -0.03 0.00 0.84 0.00 0.00 57.88 58.93 2kpo h LEU 64 Cb 0.45 0.25 0.01 0.00 0.37 0.00 0.00 40.66 41.73 2kpo h LEU 64 CO 0.02 -0.14 -0.29 0.44 -0.34 0.00 0.00 178.44 178.14 2kpo h ASP 65 N -0.02 -0.68 -0.33 1.25 3.32 -1.13 -2.71 116.42 116.12 2kpo h ASP 65 Ca 0.18 0.02 0.05 0.00 0.02 0.00 0.00 57.03 57.30 2kpo h ASP 65 Cb 0.30 0.18 -0.04 0.00 0.22 0.00 0.00 39.33 39.98 2kpo h ASP 65 CO -0.40 -0.48 0.07 0.11 -1.72 0.00 0.00 179.24 176.82 2kpo h LYS 66 N -0.81 0.18 -0.52 3.56 1.79 -0.99 -0.98 116.57 118.80 2kpo h LYS 66 Ca -0.08 -0.01 -0.03 0.00 -2.18 0.00 0.00 60.65 58.35 2kpo h LYS 66 Cb 0.62 -0.04 -0.02 0.00 -1.58 0.00 0.00 32.23 31.20 2kpo h LYS 66 CO 0.13 0.12 0.23 0.00 -1.08 0.00 0.00 179.45 178.85 2kpo h ALA 67 N 1.25 0.68 -0.14 3.86 0.00 -0.85 -2.74 119.26 121.31 2kpo h ALA 67 Ca 0.16 -0.14 -0.15 0.00 0.00 0.00 0.00 54.91 54.77 2kpo h ALA 67 Cb 0.17 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.75 2kpo h ALA 67 CO -0.20 0.27 -0.56 1.57 0.00 0.00 0.00 179.25 180.33 2kpo h LYS 68 N 0.71 0.44 -0.65 0.00 2.10 -1.22 -3.14 116.57 114.81 2kpo h LYS 68 Ca 0.18 -0.28 -0.03 0.00 -2.00 0.00 0.00 60.65 58.52 2kpo h LYS 68 Cb 0.16 0.03 -0.03 0.00 -0.90 0.00 0.00 32.23 31.50 2kpo h LYS 68 CO -0.02 0.89 0.30 0.93 -2.00 0.00 0.00 179.45 179.55 2kpo h GLU 69 N 0.34 0.94 0.32 0.07 4.39 -1.03 -1.82 114.58 117.79 2kpo h GLU 69 Ca 0.00 -0.14 -0.00 0.00 0.34 0.00 0.00 59.36 59.55 2kpo h GLU 69 Cb 1.09 -0.17 -0.01 0.00 -0.10 0.00 0.00 28.75 29.56 2kpo h GLU 69 CO 0.10 0.76 -0.26 -0.07 -1.16 0.00 0.00 179.01 178.38 2kpo h LEU 70 N 0.90 -0.68 -0.42 1.33 3.38 -1.48 -2.64 115.31 115.70 2kpo h LEU 70 Ca 0.22 0.05 0.00 0.00 0.09 0.00 0.00 57.88 58.25 2kpo h LEU 70 Cb 0.14 0.22 -0.02 0.00 0.09 0.00 0.00 40.66 41.08 2kpo h LEU 70 CO -0.03 -0.39 0.27 0.00 0.09 0.00 0.00 178.44 178.39 2kpo h ALA 71 N 0.01 0.54 -0.75 1.53 0.00 -1.49 -2.43 119.26 116.67 2kpo h ALA 71 Ca -0.02 -0.04 0.09 0.00 0.00 0.00 0.00 54.91 54.94 2kpo h ALA 71 Cb 0.52 -0.17 -0.07 0.00 0.00 0.00 0.00 17.79 18.07 2kpo h ALA 71 CO -0.01 -0.00 0.40 1.96 0.00 0.00 0.00 179.25 181.60 2kpo h GLN 72 N 0.57 0.67 -0.17 0.00 4.20 -1.32 0.01 115.11 119.08 2kpo h GLN 72 Ca 0.15 -0.04 -0.07 0.00 0.06 0.00 0.00 58.65 58.75 2kpo h GLN 72 Cb -0.05 -0.15 -0.01 0.00 0.30 0.00 0.00 27.48 27.56 2kpo h GLN 72 CO -0.03 0.44 -0.22 0.87 -0.67 0.00 0.00 178.83 179.22 2kpo h LYS 73 N 0.69 0.30 -0.62 1.46 1.57 -1.11 -2.60 116.57 116.25 2kpo h LYS 73 Ca 0.36 -0.09 0.00 0.00 -1.87 0.00 0.00 60.65 59.04 2kpo h LYS 73 Cb 0.33 -0.03 0.00 0.00 0.08 0.00 0.00 32.23 32.61 2kpo h LYS 73 CO -0.24 0.51 0.00 -1.33 -0.57 0.00 0.00 179.45 177.82 2kpo n MET 74 N -4.17 2.59 -1.81 3.15 2.81 -0.71 -4.95 117.12 114.03 2kpo n MET 74 Ca -0.01 -2.26 -0.15 0.00 -1.81 0.00 0.00 57.70 53.47 2kpo n MET 74 Cb 0.35 -1.54 -0.04 0.00 -0.71 0.00 0.00 33.22 31.29 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 1.25 -1.11 -3.21 0.03 1.02 -0.17 -4.98 120.64 113.47 2kpo n GLU 75 Ca 0.21 0.89 -0.39 0.00 -0.02 0.00 0.00 57.16 57.85 2kpo n GLU 75 Cb 0.57 -5.11 -0.06 0.00 -0.02 0.00 0.00 31.44 26.81 2kpo n GLU 75 CO 0.00 0.00 0.00 0.42 1.18 0.00 0.00 177.13 178.73 2kpo s ILE 76 N -2.64 5.10 -0.89 -3.67 1.01 -0.31 -5.00 121.20 114.80 2kpo s ILE 76 Ca 0.00 1.05 -0.25 0.00 0.00 0.00 0.00 60.65 61.45 2kpo s ILE 76 Cb 0.00 -3.88 0.01 0.00 0.01 0.00 0.00 42.46 38.60 2kpo s ILE 76 CO 0.00 0.20 1.64 -0.62 0.00 0.00 0.00 174.94 176.17 2kpo s ASP 77 N 1.01 5.84 0.10 3.58 -1.08 -1.26 -4.48 116.67 120.38 2kpo s ASP 77 Ca 0.27 -0.81 0.10 0.00 -0.52 0.00 0.00 52.55 51.59 2kpo s ASP 77 Cb -0.16 -2.56 -0.04 0.00 -1.46 0.00 0.00 42.92 38.71 2kpo s ASP 77 CO 0.11 -2.08 -0.27 0.68 0.52 0.00 0.00 175.17 174.13 2kpo s VAL 78 N 7.33 2.24 -0.66 1.11 -7.23 -1.26 -2.66 120.40 119.27 2kpo s VAL 78 Ca 0.55 -1.64 -0.09 0.00 -1.81 0.00 0.00 61.98 58.99 2kpo s VAL 78 Cb -0.05 -1.95 0.17 0.00 0.56 0.00 0.00 36.38 35.11 2kpo s VAL 78 CO 0.01 0.18 0.54 -0.13 -0.31 0.00 0.00 175.10 175.39 2kpo s ARG 79 N -1.80 2.95 -0.35 4.82 3.00 0.31 -4.98 118.95 122.91 2kpo s ARG 79 Ca 0.13 -2.29 -0.23 0.00 0.00 0.00 0.00 55.73 53.34 2kpo s ARG 79 Cb -0.10 -4.07 0.01 0.00 0.00 0.00 0.00 34.95 30.79 2kpo s ARG 79 CO 0.05 -1.23 0.80 0.99 0.00 0.00 0.00 175.30 175.91 2kpo s THR 80 N 0.43 4.74 0.02 0.02 2.01 -1.26 -1.43 115.64 120.17 2kpo s THR 80 Ca 0.14 1.00 0.08 0.00 0.31 0.00 0.00 61.69 63.21 2kpo s THR 80 Cb -0.18 -4.20 -0.02 0.00 0.01 0.00 0.00 72.50 68.10 2kpo s THR 80 CO -0.05 -0.39 -0.23 -0.13 -0.69 0.00 0.00 174.62 173.14 2kpo s ARG 81 N 3.09 1.62 -0.32 4.92 1.81 0.52 -4.96 118.95 125.63 2kpo s ARG 81 Ca 0.32 -0.93 -0.20 0.00 -1.72 0.00 0.00 55.73 53.20 2kpo s ARG 81 Cb -0.13 -1.69 -0.01 0.00 -0.45 0.00 0.00 34.95 32.67 2kpo s ARG 81 CO 0.16 0.44 0.60 0.21 -0.68 0.00 0.00 175.30 176.03 2kpo s LYS 82 N -0.98 3.80 0.14 3.54 2.20 -1.26 -1.28 119.74 125.91 2kpo s LYS 82 Ca 0.09 0.15 0.05 0.00 -0.36 0.00 0.00 55.97 55.89 2kpo s LYS 82 Cb -0.09 -3.76 -0.04 0.00 -1.51 0.00 0.00 37.83 32.43 2kpo s LYS 82 CO 0.01 -0.61 0.12 0.14 -0.36 0.00 0.00 175.35 174.65 2kpo s VAL 83 N 2.57 4.48 0.01 4.02 -7.23 0.93 -4.93 120.40 120.24 2kpo s VAL 83 Ca 0.23 -1.01 -0.04 0.00 -1.81 0.00 0.00 61.98 59.35 2kpo s VAL 83 Cb -0.15 -3.25 -0.02 0.00 0.56 0.00 0.00 36.38 33.52 2kpo s VAL 83 CO 0.13 -0.05 -0.09 0.35 -0.31 0.00 0.00 175.10 175.13 2kpo n THR 84 N -0.13 1.11 -3.75 5.32 -2.24 -1.26 -4.17 114.28 109.16 2kpo n THR 84 Ca -0.08 0.25 -0.28 0.00 -2.27 0.00 0.00 64.05 61.66 2kpo n THR 84 Cb 0.54 -1.75 -0.03 0.00 -2.10 0.00 0.00 70.33 66.99 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 -5.91 6.39 0.50 3.42 0.01 -1.26 -5.00 113.70 111.85 2kpo s SER 85 Ca -0.08 0.39 0.21 0.00 1.31 0.00 0.00 55.95 57.78 2kpo s SER 85 Cb 0.02 -2.00 1.27 0.00 0.21 0.00 0.00 66.02 65.51 2kpo s SER 85 CO 0.11 0.01 1.99 1.55 0.41 0.00 0.00 173.24 177.32 2kpo h PRO 86 N 2.28 0.13 -0.87 12.44 0.13 -1.92 -0.07 132.00 144.11 2kpo h PRO 86 Ca -0.47 -0.01 0.03 0.00 -0.87 0.00 0.00 66.00 64.68 2kpo h PRO 86 Cb 1.18 -0.03 -0.05 0.00 0.13 0.00 0.00 31.00 32.23 2kpo h PRO 86 CO 0.70 0.09 0.58 0.22 -0.23 0.00 0.00 178.00 179.35 2kpo h ASP 87 N 0.14 0.95 0.04 1.44 1.82 -1.95 -1.89 116.42 116.96 2kpo h ASP 87 Ca 0.26 -0.01 0.01 0.00 -0.39 0.00 0.00 57.03 56.90 2kpo h ASP 87 Cb 0.83 -0.22 -0.02 0.00 0.68 0.00 0.00 39.33 40.60 2kpo h ASP 87 CO -0.03 0.65 -0.12 -0.33 -1.61 0.00 0.00 179.24 177.80 2kpo h GLU 88 N 1.10 -0.21 -0.96 0.28 4.39 -1.40 0.14 114.58 117.92 2kpo h GLU 88 Ca 0.34 0.01 0.16 0.00 0.34 0.00 0.00 59.36 60.22 2kpo h GLU 88 Cb 0.01 0.05 -0.10 0.00 -0.10 0.00 0.00 28.75 28.61 2kpo h GLU 88 CO -0.10 -0.14 0.57 0.00 -1.16 0.00 0.00 179.01 178.17 2kpo h ALA 89 N 0.71 1.51 -0.39 3.43 0.00 -1.41 0.64 119.26 123.75 2kpo h ALA 89 Ca 0.03 0.06 -0.03 0.00 0.00 0.00 0.00 54.91 54.98 2kpo h ALA 89 Cb 0.25 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 17.93 2kpo h ALA 89 CO -0.09 0.02 0.13 0.87 0.00 0.00 0.00 179.25 180.18 2kpo h LYS 90 N 0.79 0.61 0.37 0.00 1.57 -0.67 -2.72 116.57 116.51 2kpo h LYS 90 Ca 0.52 -0.13 -0.02 0.00 -1.87 0.00 0.00 60.65 59.16 2kpo h LYS 90 Cb 0.71 -0.09 0.00 0.00 0.08 0.00 0.00 32.23 32.93 2kpo h LYS 90 CO -0.34 0.60 -0.18 -0.09 -0.57 0.00 0.00 179.45 178.88 2kpo h ARG 91 N 0.49 -0.47 -0.65 3.15 2.43 0.75 -2.65 114.38 117.42 2kpo h ARG 91 Ca 0.13 0.03 -0.09 0.00 -0.81 0.00 0.00 59.98 59.24 2kpo h ARG 91 Cb 0.24 0.11 -0.02 0.00 -0.42 0.00 0.00 29.97 29.87 2kpo h ARG 91 CO -0.01 -0.26 0.07 -1.49 -1.51 0.00 0.00 179.97 176.77 2kpo h TRP 92 N -0.57 1.19 -0.63 2.20 4.06 -0.99 0.39 115.95 121.60 2kpo h TRP 92 Ca -0.05 -0.18 -0.04 0.00 2.06 0.00 0.00 58.89 60.68 2kpo h TRP 92 Cb 0.43 -0.32 -0.03 0.00 -1.00 0.00 0.00 29.16 28.24 2kpo h TRP 92 CO -0.03 1.01 0.24 0.82 -3.56 0.00 0.00 178.44 176.92 2kpo h ILE 93 N 1.03 1.23 0.50 1.49 2.04 -1.56 -0.38 117.51 121.85 2kpo h ILE 93 Ca 0.19 -0.72 -0.02 0.00 1.00 0.00 0.00 64.86 65.31 2kpo h ILE 93 Cb 0.49 0.49 0.00 0.00 -0.74 0.00 0.00 36.82 37.07 2kpo h ILE 93 CO 0.02 0.29 -0.24 0.50 0.00 0.00 0.00 178.15 178.72 2kpo h LYS 94 N 0.91 -0.64 -0.84 2.37 3.64 -0.96 -2.44 116.57 118.62 2kpo h LYS 94 Ca 0.21 0.04 0.07 0.00 -1.27 0.00 0.00 60.65 59.71 2kpo h LYS 94 Cb 0.20 0.15 -0.07 0.00 -0.41 0.00 0.00 32.23 32.10 2kpo h LYS 94 CO -0.02 -0.35 0.50 0.93 -2.27 0.00 0.00 179.45 178.24 2kpo h GLU 95 N -0.87 0.86 -0.89 1.90 5.08 -0.87 -1.48 114.58 118.31 2kpo h GLU 95 Ca -0.07 -0.05 0.03 0.00 -1.00 0.00 0.00 59.36 58.27 2kpo h GLU 95 Cb 0.59 -0.19 -0.05 0.00 0.50 0.00 0.00 28.75 29.60 2kpo h GLU 95 CO 0.11 0.57 0.58 0.35 -1.00 0.00 0.00 179.01 179.62 2kpo h PHE 96 N 0.89 1.09 0.00 4.33 3.04 -1.07 0.53 116.94 125.75 2kpo h PHE 96 Ca 0.38 0.03 0.00 0.00 3.98 0.00 0.00 57.97 62.36 2kpo h PHE 96 Cb 0.25 -0.36 0.00 0.00 2.56 0.00 0.00 35.95 38.39 2kpo h PHE 96 CO -0.04 0.64 0.00 0.66 -2.02 0.00 0.00 178.31 177.54 2kpo h SER 97 N 1.13 0.00 0.17 0.41 4.64 -0.83 0.77 113.55 119.85 2kpo h SER 97 Ca 0.35 0.00 -0.23 0.00 -0.47 0.00 0.00 61.79 61.44 2kpo h SER 97 Cb -0.02 0.00 0.03 0.00 -0.31 0.00 0.00 62.40 62.09 2kpo h SER 97 CO -0.11 0.00 -1.00 -0.33 -0.87 0.00 0.00 176.83 174.52 2kpo h GLU 98 N 0.00 0.38 0.33 4.77 4.39 -0.20 -3.33 114.58 120.93 2kpo h GLU 98 Ca 0.00 -0.64 -0.02 0.00 0.34 0.00 0.00 59.36 59.05 2kpo h GLU 98 Cb 0.64 0.23 0.00 0.00 -0.10 0.00 0.00 28.75 29.53 2kpo h GLU 98 CO 0.00 1.30 -0.16 0.93 -1.16 0.00 0.00 179.01 179.92 2kpo h GLU 99 N -0.20 -0.43 0.00 2.33 5.08 -0.88 -3.46 114.58 117.02 2kpo h GLU 99 Ca -0.17 0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.22 2kpo h GLU 99 Cb 1.78 0.10 0.00 0.00 0.50 0.00 0.00 28.75 31.13 2kpo h GLU 99 CO 0.19 -0.22 0.00 0.41 -1.00 0.00 0.00 179.01 178.38 2kpo n GLY 100 N -1.00 1.23 3.70 -3.84 0.00 0.26 -4.67 105.19 100.87 2kpo n GLY 100 Ca -0.10 0.27 -0.36 0.00 0.00 0.00 0.00 46.02 45.83 2kpo n GLY 100 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2kpo s GLY 101 N 0.00 2.03 -0.79 -0.02 0.00 -1.26 -4.97 107.32 102.31 2kpo s GLY 101 Ca 0.00 -0.74 -0.22 0.00 0.00 0.00 0.00 44.72 43.76 2kpo s GLY 101 CO 0.00 0.32 1.10 -1.35 0.00 0.00 0.00 173.10 173.18 2kpo s SER 102 N 0.72 6.34 0.20 1.64 1.04 -1.26 -4.88 113.70 117.51 2kpo s SER 102 Ca 0.09 -1.29 -0.10 0.00 0.48 0.00 0.00 55.95 55.13 2kpo s SER 102 Cb -0.13 -2.45 0.17 0.00 0.10 0.00 0.00 66.02 63.72 2kpo s SER 102 CO 0.02 -1.39 1.86 -0.07 0.98 0.00 0.00 173.24 174.64 2kpo h LEU 103 N 11.44 0.75 -9.62 2.42 3.38 -1.96 -3.41 115.31 118.32 2kpo h LEU 103 Ca -0.10 -0.01 -0.62 0.00 0.09 0.00 0.00 57.88 57.24 2kpo h LEU 103 Cb 1.05 -0.17 -0.06 0.00 0.09 0.00 0.00 40.66 41.56 2kpo h LEU 103 CO 1.20 0.53 -0.29 -1.61 0.09 0.00 0.00 178.44 178.36 2kpo s GLU 104 N -6.13 3.83 -0.42 1.13 0.41 -1.26 -5.06 118.70 111.21 2kpo s GLU 104 Ca -0.13 0.24 -0.23 0.00 -0.41 0.00 0.00 54.97 54.44 2kpo s GLU 104 Cb 0.15 -3.24 0.02 0.00 -1.78 0.00 0.00 34.13 29.28 2kpo s GLU 104 CO 0.77 0.66 0.77 -1.01 -0.49 0.00 0.00 175.26 175.95 2kpo s HIS 105 N -0.88 3.04 -0.79 1.61 3.76 -1.26 -4.98 115.29 115.79 2kpo s HIS 105 Ca 0.21 0.28 -0.25 0.00 -0.15 0.00 0.00 55.06 55.14 2kpo s HIS 105 Cb -0.15 -3.53 -0.05 0.00 1.11 0.00 0.00 32.58 29.96 2kpo s HIS 105 CO 0.10 -0.88 2.00 -1.01 -0.85 0.00 0.00 174.74 174.10 2kpo s HIS 106 N 3.17 1.65 -0.03 1.40 3.76 -1.26 -4.97 115.29 119.01 2kpo s HIS 106 Ca 0.29 0.88 -0.02 0.00 -0.15 0.00 0.00 55.06 56.06 2kpo s HIS 106 Cb -0.13 -3.96 -0.04 0.00 1.11 0.00 0.00 32.58 29.56 2kpo s HIS 106 CO 0.20 -1.91 0.12 -3.38 -0.85 0.00 0.00 174.74 168.92 2kpo s HIS 107 N 10.49 3.40 -0.10 1.40 -3.43 -1.26 -5.05 115.29 120.75 2kpo s HIS 107 Ca 0.73 0.30 -0.37 0.00 -0.80 0.00 0.00 55.06 54.92 2kpo s HIS 107 Cb -0.09 -1.80 -0.14 0.00 -1.43 0.00 0.00 32.58 29.11 2kpo s HIS 107 CO 0.07 0.60 1.69 1.58 -2.00 0.00 0.00 174.74 176.68 2kpo n HIS 108 N 1.29 2.06 -3.91 0.38 -0.00 -1.26 -4.95 115.22 108.84 2kpo n HIS 108 Ca -0.14 0.36 -0.11 0.00 -0.00 0.00 0.00 57.72 57.84 2kpo n HIS 108 Cb 0.53 -2.51 -0.00 0.00 -0.00 0.00 0.00 29.99 28.01 2kpo n HIS 108 CO 0.00 0.00 0.00 -3.38 -0.00 0.00 0.00 176.34 172.96 2kpo s HIS 109 N 2.80 0.43 -2.15 1.57 -0.00 -1.26 -5.32 115.29 111.36 2kpo s HIS 109 Ca 0.92 -0.93 0.31 0.00 -0.00 0.00 0.00 55.06 55.35 2kpo s HIS 109 Cb -0.89 0.50 1.66 0.00 -0.00 0.00 0.00 32.58 33.85 2kpo s HIS 109 CO 0.55 -1.39 2.09 0.72 -0.00 0.00 0.00 174.74 176.71