#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 4.59 -0.06 -0.89 1.02 0.16 -4.96 118.68 118.54 2kpo s LEU 2 Ca 0.00 2.13 -0.00 0.00 0.02 0.00 0.00 54.13 56.28 2kpo s LEU 2 Cb 0.00 -3.63 0.03 0.00 0.02 0.00 0.00 46.19 42.61 2kpo s LEU 2 CO 0.00 -0.02 -0.02 -0.76 0.02 0.00 0.00 176.35 175.57 2kpo s LEU 3 N -1.35 0.94 0.09 1.79 1.43 -1.26 -0.72 118.68 119.60 2kpo s LEU 3 Ca 0.43 -0.10 0.02 0.00 -1.03 0.00 0.00 54.13 53.46 2kpo s LEU 3 Cb -0.29 -0.43 -0.04 0.00 0.03 0.00 0.00 46.19 45.46 2kpo s LEU 3 CO 0.37 -0.13 -0.08 -0.31 0.23 0.00 0.00 176.35 176.43 2kpo s TYR 4 N 1.46 0.92 -0.05 0.29 1.51 -0.43 -4.10 117.35 116.96 2kpo s TYR 4 Ca -0.03 -0.79 0.02 0.00 -1.01 0.00 0.00 57.07 55.26 2kpo s TYR 4 Cb -0.13 -0.52 0.01 0.00 -0.11 0.00 0.00 41.96 41.21 2kpo s TYR 4 CO -0.03 -0.09 -0.10 0.08 -1.11 0.00 0.00 175.55 174.30 2kpo s VAL 5 N -3.04 0.96 -0.16 0.71 1.01 -0.07 -0.48 120.40 119.32 2kpo s VAL 5 Ca 0.08 -0.39 0.00 0.00 0.00 0.00 0.00 61.98 61.67 2kpo s VAL 5 Cb 0.01 -0.89 0.00 0.00 0.00 0.00 0.00 36.38 35.51 2kpo s VAL 5 CO -0.03 0.31 -0.16 -0.76 0.00 0.00 0.00 175.10 174.47 2kpo s LEU 6 N 0.62 2.41 -0.15 3.92 1.43 0.74 -0.58 118.68 127.08 2kpo s LEU 6 Ca -0.12 -0.51 -0.01 0.00 -1.03 0.00 0.00 54.13 52.46 2kpo s LEU 6 Cb -0.14 -1.55 -0.01 0.00 0.03 0.00 0.00 46.19 44.51 2kpo s LEU 6 CO 0.02 0.06 -0.11 -0.51 0.23 0.00 0.00 176.35 176.04 2kpo s ILE 7 N 0.97 3.13 -0.33 -0.59 2.07 -0.34 -0.43 121.20 125.69 2kpo s ILE 7 Ca -0.03 -0.62 0.01 0.00 -1.41 0.00 0.00 60.65 58.60 2kpo s ILE 7 Cb -0.15 -2.34 0.08 0.00 0.13 0.00 0.00 42.46 40.19 2kpo s ILE 7 CO -0.03 0.51 0.04 -0.63 -1.91 0.00 0.00 174.94 172.91 2kpo s ILE 8 N 0.56 2.62 0.11 2.00 1.01 0.50 -0.69 121.20 127.31 2kpo s ILE 8 Ca -0.07 -1.92 -0.25 0.00 0.00 0.00 0.00 60.65 58.41 2kpo s ILE 8 Cb -0.15 -2.72 0.07 0.00 0.01 0.00 0.00 42.46 39.67 2kpo s ILE 8 CO 0.03 -0.39 0.65 -0.55 0.00 0.00 0.00 174.94 174.69 2kpo s SER 9 N 1.22 -0.55 0.00 3.58 0.15 -1.26 -3.41 113.70 113.43 2kpo s SER 9 Ca 0.02 0.09 0.15 0.00 0.70 0.00 0.00 55.95 56.91 2kpo s SER 9 Cb -0.20 0.56 0.01 0.00 -1.71 0.00 0.00 66.02 64.68 2kpo s SER 9 CO -0.05 -0.88 0.84 0.59 1.20 0.00 0.00 173.24 174.94 2kpo n ASN 10 N -0.20 1.66 -4.49 5.45 3.02 -1.26 -4.91 115.26 114.52 2kpo n ASN 10 Ca -0.16 -1.33 -0.43 0.00 -0.03 0.00 0.00 54.58 52.63 2kpo n ASN 10 Cb 0.64 0.40 -0.05 0.00 -0.61 0.00 0.00 39.78 40.16 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 -1.73 6.29 0.57 6.41 -1.08 -1.26 -4.93 116.67 120.95 2kpo s ASP 11 Ca 0.13 -0.57 0.26 0.00 -0.52 0.00 0.00 52.55 51.86 2kpo s ASP 11 Cb 0.12 -2.39 1.67 0.00 -1.46 0.00 0.00 42.92 40.86 2kpo s ASP 11 CO 0.35 -1.14 2.22 0.11 0.52 0.00 0.00 175.17 177.23 2kpo h LYS 12 N 9.23 0.00 -0.13 4.34 1.79 -1.99 -0.97 116.57 128.84 2kpo h LYS 12 Ca -0.27 0.00 -0.10 0.00 -2.18 0.00 0.00 60.65 58.10 2kpo h LYS 12 Cb 1.08 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.73 2kpo h LYS 12 CO 1.06 0.00 -0.30 0.87 -1.08 0.00 0.00 179.45 179.99 2kpo h LYS 13 N 0.00 0.43 -0.66 3.15 6.56 -1.99 -0.90 116.57 123.16 2kpo h LYS 13 Ca 0.01 -0.29 -0.01 0.00 -1.06 0.00 0.00 60.65 59.29 2kpo h LYS 13 Cb 0.04 0.04 -0.03 0.00 -0.57 0.00 0.00 32.23 31.72 2kpo h LYS 13 CO -0.00 0.90 0.37 1.25 -2.06 0.00 0.00 179.45 179.91 2kpo h LEU 14 N 0.03 0.82 -0.29 2.94 6.46 -1.75 -0.66 115.31 122.86 2kpo h LEU 14 Ca -0.00 -0.09 0.00 0.00 -0.12 0.00 0.00 57.88 57.67 2kpo h LEU 14 Cb 0.91 -0.21 -0.01 0.00 -0.73 0.00 0.00 40.66 40.61 2kpo h LEU 14 CO 0.07 0.68 0.19 0.40 -0.62 0.00 0.00 178.44 179.15 2kpo h ILE 15 N 0.90 1.08 0.27 4.05 2.04 -1.15 -1.66 117.51 123.05 2kpo h ILE 15 Ca 0.23 -0.16 -0.01 0.00 1.00 0.00 0.00 64.86 65.92 2kpo h ILE 15 Cb 0.03 0.66 0.00 0.00 -0.74 0.00 0.00 36.82 36.78 2kpo h ILE 15 CO -0.04 0.08 -0.13 -0.33 0.00 0.00 0.00 178.15 177.73 2kpo h GLU 16 N 0.39 -0.35 -0.45 2.37 5.08 -0.95 -2.68 114.58 117.99 2kpo h GLU 16 Ca 0.11 0.02 0.07 0.00 -1.00 0.00 0.00 59.36 58.56 2kpo h GLU 16 Cb -0.03 0.08 -0.03 0.00 0.50 0.00 0.00 28.75 29.27 2kpo h GLU 16 CO -0.02 -0.13 0.31 0.93 -1.00 0.00 0.00 179.01 179.09 2kpo h GLU 17 N -0.51 0.33 -0.51 2.33 4.39 -1.07 0.83 114.58 120.37 2kpo h GLU 17 Ca -0.04 -0.02 -0.03 0.00 0.34 0.00 0.00 59.36 59.61 2kpo h GLU 17 Cb 0.38 -0.07 -0.02 0.00 -0.10 0.00 0.00 28.75 28.93 2kpo h GLU 17 CO 0.06 0.22 0.20 0.00 -1.16 0.00 0.00 179.01 178.33 2kpo h ALA 18 N 1.76 0.66 -0.60 3.43 0.00 -1.22 -3.00 119.26 120.29 2kpo h ALA 18 Ca 0.20 -0.15 0.05 0.00 0.00 0.00 0.00 54.91 55.01 2kpo h ALA 18 Cb 0.36 -0.20 -0.05 0.00 0.00 0.00 0.00 17.79 17.90 2kpo h ALA 18 CO -0.05 0.27 0.33 0.00 0.00 0.00 0.00 179.25 179.80 2kpo h ARG 19 N 0.68 0.60 -0.21 0.00 3.08 -0.51 -0.92 114.38 117.11 2kpo h ARG 19 Ca 0.17 -0.04 0.05 0.00 0.07 0.00 0.00 59.98 60.23 2kpo h ARG 19 Cb 0.20 -0.14 -0.05 0.00 0.08 0.00 0.00 29.97 30.06 2kpo h ARG 19 CO -0.01 0.40 -0.11 0.87 -1.07 0.00 0.00 179.97 180.04 2kpo h LYS 20 N 0.62 -0.09 -0.78 0.04 6.56 -1.28 -0.26 116.57 121.38 2kpo h LYS 20 Ca 0.27 0.01 -0.04 0.00 -1.06 0.00 0.00 60.65 59.82 2kpo h LYS 20 Cb 0.15 0.02 -0.04 0.00 -0.57 0.00 0.00 32.23 31.80 2kpo h LYS 20 CO -0.17 -0.06 0.32 0.52 -2.06 0.00 0.00 179.45 178.01 2kpo h MET 21 N -0.09 1.16 -0.36 3.15 2.86 -1.37 -0.81 114.93 119.47 2kpo h MET 21 Ca 0.12 -0.20 0.01 0.00 -2.06 0.00 0.00 59.70 57.56 2kpo h MET 21 Cb 0.27 -0.19 -0.02 0.00 0.06 0.00 0.00 31.60 31.72 2kpo h MET 21 CO -0.27 0.93 0.24 0.00 1.06 0.00 0.00 176.91 178.87 2kpo h ALA 22 N 1.21 1.76 -0.06 6.32 0.00 -0.47 0.55 119.26 128.57 2kpo h ALA 22 Ca 0.26 -0.02 -0.15 0.00 0.00 0.00 0.00 54.91 54.99 2kpo h ALA 22 Cb 0.20 -0.14 0.01 0.00 0.00 0.00 0.00 17.79 17.86 2kpo h ALA 22 CO -0.02 0.22 -0.57 0.93 0.00 0.00 0.00 179.25 179.80 2kpo h GLU 23 N 0.47 0.49 -0.01 0.00 4.39 -0.44 0.30 114.58 119.78 2kpo h GLU 23 Ca 0.14 -0.45 -0.03 0.00 0.34 0.00 0.00 59.36 59.36 2kpo h GLU 23 Cb -0.03 0.11 -0.00 0.00 -0.10 0.00 0.00 28.75 28.72 2kpo h GLU 23 CO -0.03 1.09 -0.15 0.87 -1.16 0.00 0.00 179.01 179.63 2kpo h LYS 24 N 0.04 0.01 0.00 2.33 1.79 -0.64 -0.99 116.57 119.11 2kpo h LYS 24 Ca -0.06 -0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.41 2kpo h LYS 24 Cb 1.24 -0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.89 2kpo h LYS 24 CO 0.12 0.16 -0.74 0.00 -1.08 0.00 0.00 179.45 177.90 2kpo n ALA 25 N -2.51 3.95 -1.54 3.86 0.00 0.14 -4.97 120.51 119.44 2kpo n ALA 25 Ca -0.02 -0.44 -0.17 0.00 0.00 0.00 0.00 53.44 52.80 2kpo n ALA 25 Cb 0.22 -0.98 -0.07 0.00 0.00 0.00 0.00 19.45 18.62 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 -1.56 -5.09 -4.89 0.00 4.13 0.74 -4.99 115.26 103.61 2kpo n ASN 26 Ca 0.04 0.41 -0.29 0.00 1.68 0.00 0.00 54.58 56.42 2kpo n ASN 26 Cb 0.35 -4.12 -0.03 0.00 -1.54 0.00 0.00 39.78 34.45 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 -3.99 3.84 -0.34 3.41 1.43 0.57 -4.97 118.68 118.62 2kpo s LEU 27 Ca 0.00 1.01 -0.25 0.00 -1.03 0.00 0.00 54.13 53.86 2kpo s LEU 27 Cb 0.00 -3.89 0.01 0.00 0.03 0.00 0.00 46.19 42.34 2kpo s LEU 27 CO 0.00 -0.39 0.89 -1.61 0.23 0.00 0.00 176.35 175.47 2kpo s GLU 28 N -3.96 3.89 -0.15 1.70 2.02 -1.26 -4.60 118.70 116.34 2kpo s GLU 28 Ca 0.49 0.61 -0.02 0.00 0.02 0.00 0.00 54.97 56.07 2kpo s GLU 28 Cb -0.10 -3.77 -0.02 0.00 0.10 0.00 0.00 34.13 30.33 2kpo s GLU 28 CO 0.33 -0.86 -0.08 -1.17 0.02 0.00 0.00 175.26 173.51 2kpo s LEU 29 N 3.30 2.93 0.14 1.80 0.20 -1.26 -0.89 118.68 124.90 2kpo s LEU 29 Ca 0.37 -0.27 0.10 0.00 0.69 0.00 0.00 54.13 55.01 2kpo s LEU 29 Cb -0.13 -1.69 -0.04 0.00 -0.43 0.00 0.00 46.19 43.90 2kpo s LEU 29 CO 0.16 0.13 -0.24 -0.13 -0.29 0.00 0.00 176.35 175.99 2kpo s ARG 30 N 0.55 1.33 -0.11 1.98 1.81 0.25 -4.99 118.95 119.77 2kpo s ARG 30 Ca -0.06 -1.34 -0.08 0.00 -1.72 0.00 0.00 55.73 52.53 2kpo s ARG 30 Cb -0.15 -1.67 -0.04 0.00 -0.45 0.00 0.00 34.95 32.64 2kpo s ARG 30 CO 0.03 0.38 0.17 0.95 -0.68 0.00 0.00 175.30 176.16 2kpo s THR 31 N -1.33 5.44 0.02 0.02 -4.23 -1.26 -1.20 115.64 113.11 2kpo s THR 31 Ca 0.13 0.29 0.04 0.00 -1.18 0.00 0.00 61.69 60.97 2kpo s THR 31 Cb -0.09 -3.45 -0.02 0.00 1.34 0.00 0.00 72.50 70.28 2kpo s THR 31 CO 0.06 0.59 -0.13 -0.69 -0.54 0.00 0.00 174.62 173.92 2kpo s VAL 32 N -0.87 1.01 0.09 2.29 1.01 0.13 -4.91 120.40 119.16 2kpo s VAL 32 Ca 0.15 -0.82 0.00 0.00 0.00 0.00 0.00 61.98 61.31 2kpo s VAL 32 Cb -0.12 -0.90 0.00 0.00 0.00 0.00 0.00 36.38 35.36 2kpo s VAL 32 CO 0.04 0.08 0.00 0.29 0.00 0.00 0.00 175.10 175.51 2kpo n LYS 33 N 2.20 0.00 -2.57 2.72 5.02 -1.26 -4.12 118.16 120.15 2kpo n LYS 33 Ca -0.17 0.00 -0.22 0.00 -2.02 0.00 0.00 58.31 55.90 2kpo n LYS 33 Cb 0.55 -0.37 0.06 0.00 -0.02 0.00 0.00 35.03 35.25 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 -1.79 2.48 0.09 -0.18 -4.23 -1.26 -4.98 115.64 105.77 2kpo s THR 34 Ca 0.00 -0.59 -0.25 0.00 -1.18 0.00 0.00 61.69 59.66 2kpo s THR 34 Cb 0.00 -2.88 -0.16 0.00 1.34 0.00 0.00 72.50 70.80 2kpo s THR 34 CO 0.00 0.00 1.72 -0.08 -0.54 0.00 0.00 174.62 175.72 2kpo h GLU 35 N -0.17 -0.19 -0.93 3.99 4.81 -2.00 -2.63 114.58 117.48 2kpo h GLU 35 Ca -0.41 0.01 0.07 0.00 -0.13 0.00 0.00 59.36 58.90 2kpo h GLU 35 Cb 1.29 0.04 -0.06 0.00 0.63 0.00 0.00 28.75 30.65 2kpo h GLU 35 CO 0.50 -0.12 0.60 0.22 -0.73 0.00 0.00 179.01 179.48 2kpo h ASP 36 N -0.19 0.93 0.15 1.04 1.82 -1.99 -1.86 116.42 116.32 2kpo h ASP 36 Ca -0.02 0.01 -0.01 0.00 -0.39 0.00 0.00 57.03 56.62 2kpo h ASP 36 Cb 0.15 -0.19 0.00 0.00 0.68 0.00 0.00 39.33 39.97 2kpo h ASP 36 CO 0.03 0.60 -0.07 -0.33 -1.61 0.00 0.00 179.24 177.85 2kpo h GLU 37 N 1.06 -0.20 -0.24 0.28 5.08 -1.93 0.24 114.58 118.88 2kpo h GLU 37 Ca 0.40 0.01 0.06 0.00 -1.00 0.00 0.00 59.36 58.83 2kpo h GLU 37 Cb 0.20 0.05 -0.06 0.00 0.50 0.00 0.00 28.75 29.43 2kpo h GLU 37 CO -0.15 -0.10 -0.19 1.25 -1.00 0.00 0.00 179.01 178.82 2kpo h LEU 38 N -0.25 -0.61 -1.08 1.33 7.12 -1.03 -0.55 115.31 120.25 2kpo h LEU 38 Ca -0.02 0.12 -0.02 0.00 0.13 0.00 0.00 57.88 58.09 2kpo h LEU 38 Cb 0.19 0.30 -0.03 0.00 -0.53 0.00 0.00 40.66 40.59 2kpo h LEU 38 CO 0.03 -0.23 0.34 0.50 -0.13 0.00 0.00 178.44 178.96 2kpo h LYS 39 N -0.19 0.99 -0.89 1.25 3.64 -1.30 -2.04 116.57 118.03 2kpo h LYS 39 Ca 0.13 -0.13 0.03 0.00 -1.27 0.00 0.00 60.65 59.41 2kpo h LYS 39 Cb 0.39 -0.19 -0.05 0.00 -0.41 0.00 0.00 32.23 31.97 2kpo h LYS 39 CO -0.35 0.76 0.58 -0.22 -2.27 0.00 0.00 179.45 177.96 2kpo h LYS 40 N 0.99 1.11 -0.21 1.90 3.64 0.96 0.20 116.57 125.16 2kpo h LYS 40 Ca 0.24 -0.07 -0.08 0.00 -1.27 0.00 0.00 60.65 59.48 2kpo h LYS 40 Cb 0.09 -0.25 -0.00 0.00 -0.41 0.00 0.00 32.23 31.66 2kpo h LYS 40 CO -0.03 0.73 -0.18 1.88 -2.27 0.00 0.00 179.45 179.58 2kpo h TYR 41 N 1.14 0.59 -0.14 1.91 0.05 -1.02 -3.12 116.97 116.39 2kpo h TYR 41 Ca 0.35 -0.17 0.04 0.00 0.05 0.00 0.00 58.73 59.00 2kpo h TYR 41 Cb -0.03 -0.13 -0.01 0.00 1.01 0.00 0.00 36.73 37.58 2kpo h TYR 41 CO -0.01 0.83 0.10 -0.07 -1.05 0.00 0.00 178.16 177.96 2kpo h LEU 42 N 0.19 0.00 -0.65 3.88 3.38 -0.63 -1.77 115.31 119.71 2kpo h LEU 42 Ca 0.04 0.00 0.11 0.00 0.09 0.00 0.00 57.88 58.12 2kpo h LEU 42 Cb 0.72 0.00 -0.08 0.00 0.09 0.00 0.00 40.66 41.39 2kpo h LEU 42 CO 0.05 0.00 0.24 -0.33 0.09 0.00 0.00 178.44 178.48 2kpo h GLU 43 N 0.00 0.39 -0.07 1.13 4.39 -0.56 0.37 114.58 120.24 2kpo h GLU 43 Ca 0.06 -0.02 -0.04 0.00 0.34 0.00 0.00 59.36 59.70 2kpo h GLU 43 Cb 0.27 -0.09 0.00 0.00 -0.10 0.00 0.00 28.75 28.83 2kpo h GLU 43 CO -0.00 0.26 -0.13 1.49 -1.16 0.00 0.00 179.01 179.47 2kpo h GLU 44 N 0.40 0.20 0.00 2.33 4.57 -1.45 -3.23 114.58 117.41 2kpo h GLU 44 Ca 0.34 -0.13 -0.02 0.00 -1.18 0.00 0.00 59.36 58.37 2kpo h GLU 44 Cb 0.46 0.02 -0.00 0.00 -0.16 0.00 0.00 28.75 29.07 2kpo h GLU 44 CO -0.35 0.71 -0.10 0.74 -1.18 0.00 0.00 179.01 178.83 2kpo h PHE 45 N -0.29 0.00 -0.60 0.92 0.05 -1.05 -1.32 116.94 114.66 2kpo h PHE 45 Ca 0.00 0.00 -0.06 0.00 3.82 0.00 0.00 57.97 61.74 2kpo h PHE 45 Cb 0.70 0.00 -0.03 0.00 2.00 0.00 0.00 35.95 38.63 2kpo h PHE 45 CO 0.11 0.10 0.15 -0.09 -0.18 0.00 0.00 178.31 178.40 2kpo h ARG 46 N 0.00 0.94 -0.71 1.51 2.43 -0.30 -1.34 114.38 116.91 2kpo h ARG 46 Ca -0.00 -0.21 0.02 0.00 -0.81 0.00 0.00 59.98 58.99 2kpo h ARG 46 Cb 0.19 -0.13 -0.04 0.00 -0.42 0.00 0.00 29.97 29.57 2kpo h ARG 46 CO 0.01 0.84 0.47 0.87 -1.51 0.00 0.00 179.97 180.66 2kpo h LYS 47 N 0.90 0.88 -0.66 0.20 1.57 -1.25 -1.77 116.57 116.43 2kpo h LYS 47 Ca 0.19 -0.05 0.00 0.00 -1.87 0.00 0.00 60.65 58.92 2kpo h LYS 47 Cb 0.32 -0.20 0.00 0.00 0.08 0.00 0.00 32.23 32.44 2kpo h LYS 47 CO -0.00 0.58 0.00 0.39 -0.57 0.00 0.00 179.45 179.85 2kpo n GLU 48 N -4.45 3.27 0.25 3.15 -0.58 -0.96 -4.66 120.64 116.66 2kpo n GLU 48 Ca 0.08 -2.62 0.17 0.00 -0.42 0.00 0.00 57.16 54.37 2kpo n GLU 48 Cb 0.09 -1.76 0.78 0.00 -0.57 0.00 0.00 31.44 29.98 2kpo n GLU 48 CO 0.00 0.00 0.00 1.03 -0.48 0.00 0.00 177.13 177.68 2kpo h SER 49 N 3.91 0.00 -0.10 1.62 0.87 -0.32 -2.81 113.55 116.71 2kpo h SER 49 Ca 0.00 0.00 -0.02 0.00 -1.23 0.00 0.00 61.79 60.54 2kpo h SER 49 Cb 1.24 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 63.19 2kpo h SER 49 CO 0.15 0.00 0.02 1.56 -0.53 0.00 0.00 176.83 178.03 2kpo h GLN 50 N 0.00 0.25 -0.62 2.24 4.20 -1.83 -3.26 115.11 116.09 2kpo h GLN 50 Ca 0.07 -0.03 -0.28 0.00 0.06 0.00 0.00 58.65 58.46 2kpo h GLN 50 Cb 0.83 -0.05 -0.38 0.00 0.30 0.00 0.00 27.48 28.19 2kpo h GLN 50 CO -0.00 0.27 -1.08 0.09 -0.67 0.00 0.00 178.83 177.44 2kpo n ASN 51 N -4.40 1.21 -4.38 1.46 3.02 -1.06 -5.11 115.26 105.99 2kpo n ASN 51 Ca -0.00 -2.33 -0.28 0.00 -0.03 0.00 0.00 54.58 51.94 2kpo n ASN 51 Cb 0.16 -0.38 -0.13 0.00 -0.61 0.00 0.00 39.78 38.83 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 -3.16 2.21 -0.09 2.41 2.07 -1.23 0.40 121.20 123.81 2kpo s ILE 52 Ca 0.26 -1.78 -0.01 0.00 -1.41 0.00 0.00 60.65 57.71 2kpo s ILE 52 Cb 0.39 -1.97 0.03 0.00 0.13 0.00 0.00 42.46 41.03 2kpo s ILE 52 CO -0.01 0.04 -0.04 -0.54 -1.91 0.00 0.00 174.94 172.48 2kpo s LYS 53 N -2.13 1.05 -0.27 3.50 1.02 0.10 -4.78 119.74 118.22 2kpo s LYS 53 Ca 0.14 -0.07 -0.06 0.00 0.02 0.00 0.00 55.97 56.00 2kpo s LYS 53 Cb -0.10 -1.28 0.01 0.00 -0.52 0.00 0.00 37.83 35.94 2kpo s LYS 53 CO 0.06 -0.29 0.04 0.08 -0.92 0.00 0.00 175.35 174.32 2kpo s VAL 54 N 1.84 3.72 -0.34 3.17 1.01 -1.20 -1.31 120.40 127.30 2kpo s VAL 54 Ca 0.05 -0.67 -0.20 0.00 0.00 0.00 0.00 61.98 61.15 2kpo s VAL 54 Cb -0.12 -2.87 -0.00 0.00 0.00 0.00 0.00 36.38 33.39 2kpo s VAL 54 CO -0.07 0.17 0.64 -0.22 0.00 0.00 0.00 175.10 175.63 2kpo s LEU 55 N 1.48 4.22 -0.24 3.92 2.96 0.37 -0.01 118.68 131.36 2kpo s LEU 55 Ca 0.03 0.24 -0.06 0.00 -0.22 0.00 0.00 54.13 54.12 2kpo s LEU 55 Cb -0.16 -2.80 -0.02 0.00 0.50 0.00 0.00 46.19 43.71 2kpo s LEU 55 CO 0.01 -0.56 0.03 -0.63 -1.32 0.00 0.00 176.35 173.88 2kpo s ILE 56 N 2.69 3.94 -0.24 6.68 1.01 -0.18 -0.18 121.20 134.92 2kpo s ILE 56 Ca 0.25 -0.35 -0.08 0.00 0.00 0.00 0.00 60.65 60.47 2kpo s ILE 56 Cb -0.15 -2.85 -0.04 0.00 0.01 0.00 0.00 42.46 39.43 2kpo s ILE 56 CO 0.14 0.34 0.10 -0.76 0.00 0.00 0.00 174.94 174.76 2kpo s LEU 57 N 1.55 3.73 0.30 2.97 2.01 0.43 0.07 118.68 129.75 2kpo s LEU 57 Ca 0.06 -0.05 0.10 0.00 0.01 0.00 0.00 54.13 54.24 2kpo s LEU 57 Cb -0.15 -1.99 -0.06 0.00 0.01 0.00 0.00 46.19 44.00 2kpo s LEU 57 CO 0.01 0.03 -0.13 0.68 1.01 0.00 0.00 176.35 177.95 2kpo s VAL 58 N 1.24 2.19 -0.14 -1.59 -7.23 -0.08 -0.37 120.40 114.42 2kpo s VAL 58 Ca 0.06 -2.27 -0.14 0.00 -1.81 0.00 0.00 61.98 57.82 2kpo s VAL 58 Cb -0.14 -2.43 -0.12 0.00 0.56 0.00 0.00 36.38 34.25 2kpo s VAL 58 CO 0.05 -0.33 0.23 0.77 -0.31 0.00 0.00 175.10 175.51 2kpo h SER 59 N 2.21 0.00 -0.70 4.85 4.64 -1.77 0.20 113.55 122.98 2kpo h SER 59 Ca -0.41 -0.38 -0.65 0.00 -0.47 0.00 0.00 61.79 59.88 2kpo h SER 59 Cb 1.25 0.00 -0.12 0.00 -0.31 0.00 0.00 62.40 63.22 2kpo h SER 59 CO 0.65 0.86 -0.50 0.20 -0.87 0.00 0.00 176.83 177.17 2kpo s ASN 60 N -6.00 4.17 0.46 4.97 0.01 -1.26 -4.22 114.94 113.07 2kpo s ASN 60 Ca -0.13 -1.51 0.25 0.00 -0.71 0.00 0.00 52.86 50.75 2kpo s ASN 60 Cb 0.00 0.28 1.07 0.00 0.41 0.00 0.00 41.25 43.02 2kpo s ASN 60 CO 0.35 -0.79 1.90 0.44 -1.51 0.00 0.00 177.10 177.48 2kpo h ASP 61 N 1.35 0.00 0.17 -1.22 3.32 -1.98 -2.11 116.42 115.96 2kpo h ASP 61 Ca -0.43 0.00 -0.01 0.00 0.02 0.00 0.00 57.03 56.61 2kpo h ASP 61 Cb 1.30 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.85 2kpo h ASP 61 CO 0.73 0.21 -0.08 -0.08 -1.72 0.00 0.00 179.24 178.29 2kpo h GLU 62 N 0.00 -0.22 -0.14 3.56 4.81 -1.99 0.11 114.58 120.71 2kpo h GLU 62 Ca -0.00 0.02 -0.03 0.00 -0.13 0.00 0.00 59.36 59.21 2kpo h GLU 62 Cb 0.62 0.05 -0.01 0.00 0.63 0.00 0.00 28.75 30.05 2kpo h GLU 62 CO 0.03 0.16 -0.05 1.05 -0.73 0.00 0.00 179.01 179.46 2kpo h GLU 63 N -0.66 0.21 -0.27 1.92 9.09 -1.98 0.33 114.58 123.21 2kpo h GLU 63 Ca -0.02 -0.03 0.02 0.00 0.05 0.00 0.00 59.36 59.37 2kpo h GLU 63 Cb 0.48 -0.04 -0.02 0.00 -1.65 0.00 0.00 28.75 27.52 2kpo h GLU 63 CO 0.04 0.27 0.13 1.25 0.05 0.00 0.00 179.01 180.75 2kpo h LEU 64 N 0.20 0.19 0.39 3.06 5.85 -1.25 -0.18 115.31 123.58 2kpo h LEU 64 Ca 0.05 0.01 -0.02 0.00 0.84 0.00 0.00 57.88 58.76 2kpo h LEU 64 Cb 0.23 -0.02 0.00 0.00 0.37 0.00 0.00 40.66 41.24 2kpo h LEU 64 CO 0.01 0.15 -0.19 -0.78 -0.34 0.00 0.00 178.44 177.29 2kpo h ASP 65 N 0.28 -0.45 -0.38 1.25 1.82 0.11 -2.63 116.42 116.43 2kpo h ASP 65 Ca 0.11 -0.05 0.04 0.00 -0.39 0.00 0.00 57.03 56.74 2kpo h ASP 65 Cb 0.04 0.12 -0.04 0.00 0.68 0.00 0.00 39.33 40.12 2kpo h ASP 65 CO -0.08 -0.22 0.13 0.11 -1.61 0.00 0.00 179.24 177.57 2kpo h LYS 66 N -0.65 0.27 -0.33 0.28 1.79 -0.94 0.37 116.57 117.36 2kpo h LYS 66 Ca -0.05 -0.02 0.03 0.00 -2.18 0.00 0.00 60.65 58.43 2kpo h LYS 66 Cb 0.47 -0.06 -0.03 0.00 -1.58 0.00 0.00 32.23 31.03 2kpo h LYS 66 CO 0.09 0.18 0.13 0.00 -1.08 0.00 0.00 179.45 178.77 2kpo h ALA 67 N 1.24 0.39 -0.15 3.86 0.00 -1.05 -1.77 119.26 121.78 2kpo h ALA 67 Ca 0.17 0.03 -0.15 0.00 0.00 0.00 0.00 54.91 54.96 2kpo h ALA 67 Cb 0.15 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 17.93 2kpo h ALA 67 CO -0.18 -0.26 -0.56 1.57 0.00 0.00 0.00 179.25 179.82 2kpo h LYS 68 N 0.28 0.45 0.27 0.00 2.10 -1.22 -2.94 116.57 115.51 2kpo h LYS 68 Ca 0.14 -0.29 0.00 0.00 -2.00 0.00 0.00 60.65 58.51 2kpo h LYS 68 Cb 0.10 0.03 -0.02 0.00 -0.90 0.00 0.00 32.23 31.44 2kpo h LYS 68 CO -0.13 0.89 -0.28 0.93 -2.00 0.00 0.00 179.45 178.85 2kpo h GLU 69 N 0.34 -0.57 -0.29 0.07 4.39 -0.58 0.44 114.58 118.38 2kpo h GLU 69 Ca 0.00 0.04 0.06 0.00 0.34 0.00 0.00 59.36 59.81 2kpo h GLU 69 Cb 1.09 0.13 -0.06 0.00 -0.10 0.00 0.00 28.75 29.80 2kpo h GLU 69 CO 0.10 -0.38 -0.13 -0.07 -1.16 0.00 0.00 179.01 177.37 2kpo h LEU 70 N -0.59 -0.43 -0.74 1.33 3.38 -1.36 -0.73 115.31 116.17 2kpo h LEU 70 Ca -0.01 0.11 0.03 0.00 0.09 0.00 0.00 57.88 58.10 2kpo h LEU 70 Cb 0.55 0.25 -0.04 0.00 0.09 0.00 0.00 40.66 41.50 2kpo h LEU 70 CO -0.07 -0.16 0.47 0.00 0.09 0.00 0.00 178.44 178.77 2kpo h ALA 71 N 1.17 0.97 -0.88 1.53 0.00 -1.34 -0.49 119.26 120.21 2kpo h ALA 71 Ca 0.15 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 55.02 2kpo h ALA 71 Cb 0.31 -0.25 -0.04 0.00 0.00 0.00 0.00 17.79 17.81 2kpo h ALA 71 CO -0.35 0.27 0.51 1.96 0.00 0.00 0.00 179.25 181.65 2kpo h GLN 72 N 0.93 1.21 -0.53 0.00 4.20 -0.26 0.23 115.11 120.88 2kpo h GLN 72 Ca 0.29 -0.12 -0.04 0.00 0.06 0.00 0.00 58.65 58.84 2kpo h GLN 72 Cb -0.00 -0.25 -0.02 0.00 0.30 0.00 0.00 27.48 27.51 2kpo h GLN 72 CO -0.10 0.87 0.17 0.87 -0.67 0.00 0.00 178.83 179.96 2kpo h LYS 73 N 1.22 0.83 -0.01 1.46 1.79 -0.54 -2.98 116.57 118.34 2kpo h LYS 73 Ca 0.31 -0.18 0.00 0.00 -2.18 0.00 0.00 60.65 58.61 2kpo h LYS 73 Cb -0.01 -0.12 0.00 0.00 -1.58 0.00 0.00 32.23 30.51 2kpo h LYS 73 CO -0.06 0.76 -0.03 -1.33 -1.08 0.00 0.00 179.45 177.71 2kpo n MET 74 N -4.47 1.18 -2.31 3.15 2.81 -0.25 -4.93 117.12 112.29 2kpo n MET 74 Ca 0.02 -0.45 -0.17 0.00 -1.81 0.00 0.00 57.70 55.30 2kpo n MET 74 Cb 0.20 -1.49 -0.01 0.00 -0.71 0.00 0.00 33.22 31.21 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 -0.52 -1.34 -3.70 0.03 1.02 0.73 -4.99 120.64 111.87 2kpo n GLU 75 Ca 0.19 0.82 -0.36 0.00 -0.02 0.00 0.00 57.16 57.79 2kpo n GLU 75 Cb 0.25 -5.25 -0.07 0.00 -0.02 0.00 0.00 31.44 26.35 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 -2.84 5.39 -0.73 -3.67 1.01 -0.73 -5.03 121.20 114.60 2kpo s ILE 76 Ca 0.00 0.31 -0.26 0.00 0.00 0.00 0.00 60.65 60.70 2kpo s ILE 76 Cb 0.00 -3.51 -0.03 0.00 0.01 0.00 0.00 42.46 38.94 2kpo s ILE 76 CO 0.00 0.47 1.87 -1.81 0.00 0.00 0.00 174.94 175.47 2kpo s ASP 77 N 0.06 5.26 0.36 3.58 1.11 -1.26 -4.70 116.67 121.07 2kpo s ASP 77 Ca 0.12 -0.10 0.09 0.00 0.18 0.00 0.00 52.55 52.84 2kpo s ASP 77 Cb -0.12 -2.54 -0.06 0.00 1.07 0.00 0.00 42.92 41.26 2kpo s ASP 77 CO 0.01 -2.49 -0.05 0.68 1.18 0.00 0.00 175.17 174.50 2kpo s VAL 78 N 9.32 2.27 -0.45 -1.27 -7.23 -1.26 -3.22 120.40 118.55 2kpo s VAL 78 Ca 0.67 -2.11 0.02 0.00 -1.81 0.00 0.00 61.98 58.75 2kpo s VAL 78 Cb -0.10 -2.74 0.14 0.00 0.56 0.00 0.00 36.38 34.23 2kpo s VAL 78 CO 0.12 -0.16 0.25 -0.60 -0.31 0.00 0.00 175.10 174.39 2kpo s ARG 79 N -3.65 1.38 -0.42 4.82 3.52 0.98 -4.91 118.95 120.67 2kpo s ARG 79 Ca 0.34 -2.10 -0.22 0.00 -0.13 0.00 0.00 55.73 53.62 2kpo s ARG 79 Cb 0.03 -2.45 0.02 0.00 -1.56 0.00 0.00 34.95 30.99 2kpo s ARG 79 CO 0.17 -1.16 0.73 0.99 -0.81 0.00 0.00 175.30 175.23 2kpo s THR 80 N 0.25 4.74 0.16 4.11 2.01 -1.26 -1.01 115.64 124.64 2kpo s THR 80 Ca 0.18 0.48 0.09 0.00 0.31 0.00 0.00 61.69 62.75 2kpo s THR 80 Cb -0.24 -4.24 -0.04 0.00 0.01 0.00 0.00 72.50 67.99 2kpo s THR 80 CO -0.00 -0.57 -0.13 -0.13 -0.69 0.00 0.00 174.62 173.09 2kpo s ARG 81 N 3.07 1.95 -0.10 4.92 1.81 0.11 -4.96 118.95 125.75 2kpo s ARG 81 Ca 0.28 -1.24 -0.04 0.00 -1.72 0.00 0.00 55.73 53.01 2kpo s ARG 81 Cb -0.13 -2.14 -0.04 0.00 -0.45 0.00 0.00 34.95 32.20 2kpo s ARG 81 CO 0.20 0.45 0.04 0.21 -0.68 0.00 0.00 175.30 175.52 2kpo s LYS 82 N -2.59 3.18 0.11 3.54 2.20 -1.26 -0.90 119.74 124.01 2kpo s LYS 82 Ca 0.22 -0.33 0.07 0.00 -0.36 0.00 0.00 55.97 55.57 2kpo s LYS 82 Cb -0.09 -2.92 -0.04 0.00 -1.51 0.00 0.00 37.83 33.27 2kpo s LYS 82 CO 0.13 0.69 -0.17 0.14 -0.36 0.00 0.00 175.35 175.78 2kpo s VAL 83 N -0.81 1.45 -0.03 4.02 -7.23 0.70 -4.91 120.40 113.59 2kpo s VAL 83 Ca 0.13 -1.58 -0.06 0.00 -1.81 0.00 0.00 61.98 58.65 2kpo s VAL 83 Cb -0.12 -1.46 -0.03 0.00 0.56 0.00 0.00 36.38 35.34 2kpo s VAL 83 CO 0.03 -0.24 -0.13 0.35 -0.31 0.00 0.00 175.10 174.79 2kpo n THR 84 N 0.86 1.10 -4.08 5.32 -2.24 -1.26 -4.43 114.28 109.54 2kpo n THR 84 Ca -0.18 0.17 -0.26 0.00 -2.27 0.00 0.00 64.05 61.52 2kpo n THR 84 Cb 0.55 -1.80 -0.05 0.00 -2.10 0.00 0.00 70.33 66.93 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 -5.95 5.54 0.42 3.42 0.01 -1.26 -5.02 113.70 110.87 2kpo s SER 85 Ca -0.12 -0.13 0.19 0.00 1.31 0.00 0.00 55.95 57.20 2kpo s SER 85 Cb 0.03 -1.45 1.12 0.00 0.21 0.00 0.00 66.02 65.92 2kpo s SER 85 CO 0.16 0.06 1.83 1.55 0.41 0.00 0.00 173.24 177.25 2kpo h PRO 86 N 2.32 0.37 -0.74 12.44 0.13 -1.92 0.02 132.00 144.62 2kpo h PRO 86 Ca -0.48 -0.02 0.05 0.00 -0.87 0.00 0.00 66.00 64.68 2kpo h PRO 86 Cb 1.20 -0.08 -0.04 0.00 0.13 0.00 0.00 31.00 32.21 2kpo h PRO 86 CO 0.63 0.24 0.49 0.22 -0.23 0.00 0.00 178.00 179.35 2kpo h ASP 87 N 0.38 0.72 0.41 1.44 3.58 -1.96 -2.72 116.42 118.28 2kpo h ASP 87 Ca 0.52 -0.00 -0.02 0.00 0.42 0.00 0.00 57.03 57.94 2kpo h ASP 87 Cb 1.34 -0.16 0.00 0.00 1.72 0.00 0.00 39.33 42.24 2kpo h ASP 87 CO -0.21 0.48 -0.20 -0.33 -2.88 0.00 0.00 179.24 176.11 2kpo h GLU 88 N 0.83 -0.54 -0.75 0.28 4.39 -1.38 -2.06 114.58 115.35 2kpo h GLU 88 Ca 0.31 0.04 0.11 0.00 0.34 0.00 0.00 59.36 60.15 2kpo h GLU 88 Cb 0.17 0.12 -0.08 0.00 -0.10 0.00 0.00 28.75 28.86 2kpo h GLU 88 CO -0.10 -0.35 0.38 0.00 -1.16 0.00 0.00 179.01 177.77 2kpo h ALA 89 N 0.03 1.06 -0.92 3.43 0.00 -1.54 -0.17 119.26 121.14 2kpo h ALA 89 Ca -0.06 0.06 0.07 0.00 0.00 0.00 0.00 54.91 54.98 2kpo h ALA 89 Cb 0.43 -0.03 -0.07 0.00 0.00 0.00 0.00 17.79 18.12 2kpo h ALA 89 CO 0.09 -0.06 0.58 0.87 0.00 0.00 0.00 179.25 180.74 2kpo h LYS 90 N 0.61 1.02 -0.39 0.00 1.57 -1.31 -1.50 116.57 116.57 2kpo h LYS 90 Ca 0.38 -0.06 -0.15 0.00 -1.87 0.00 0.00 60.65 58.95 2kpo h LYS 90 Cb 0.45 -0.23 -0.01 0.00 0.08 0.00 0.00 32.23 32.52 2kpo h LYS 90 CO -0.30 0.67 -0.35 -0.09 -0.57 0.00 0.00 179.45 178.81 2kpo h ARG 91 N 1.05 0.90 -0.27 3.15 2.43 -0.36 -2.37 114.38 118.90 2kpo h ARG 91 Ca 0.40 -0.45 -0.06 0.00 -0.81 0.00 0.00 59.98 59.07 2kpo h ARG 91 Cb 0.19 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 29.74 2kpo h ARG 91 CO -0.18 1.10 -0.06 -1.49 -1.51 0.00 0.00 179.97 177.84 2kpo h TRP 92 N 0.74 0.58 -0.25 2.20 4.06 -0.81 -1.90 115.95 120.57 2kpo h TRP 92 Ca 0.07 -0.12 0.01 0.00 2.06 0.00 0.00 58.89 60.90 2kpo h TRP 92 Cb 0.93 -0.14 -0.01 0.00 -1.00 0.00 0.00 29.16 28.94 2kpo h TRP 92 CO 0.06 0.71 0.17 0.82 -3.56 0.00 0.00 178.44 176.64 2kpo h ILE 93 N 0.27 1.05 0.67 1.49 2.04 -1.31 -1.88 117.51 119.85 2kpo h ILE 93 Ca 0.07 -0.11 -0.03 0.00 1.00 0.00 0.00 64.86 65.78 2kpo h ILE 93 Cb 0.52 0.70 0.01 0.00 -0.74 0.00 0.00 36.82 37.31 2kpo h ILE 93 CO 0.02 0.06 -0.32 0.50 0.00 0.00 0.00 178.15 178.41 2kpo h LYS 94 N 0.33 -0.87 -0.37 2.37 1.63 -1.03 -1.48 116.57 117.15 2kpo h LYS 94 Ca 0.09 0.06 -0.06 0.00 -0.85 0.00 0.00 60.65 59.89 2kpo h LYS 94 Cb -0.01 0.20 -0.02 0.00 -0.60 0.00 0.00 32.23 31.80 2kpo h LYS 94 CO -0.02 -0.55 -0.03 1.05 -3.45 0.00 0.00 179.45 176.45 2kpo h GLU 95 N -1.03 0.60 0.02 1.90 -0.00 -1.16 -2.33 114.58 112.59 2kpo h GLU 95 Ca -0.09 -0.15 -0.00 0.00 -0.00 0.00 0.00 59.36 59.12 2kpo h GLU 95 Cb 0.72 -0.08 0.00 0.00 -0.00 0.00 0.00 28.75 29.39 2kpo h GLU 95 CO 0.15 0.65 -0.01 0.35 -0.00 0.00 0.00 179.01 180.15 2kpo h PHE 96 N 0.57 -0.03 -1.00 2.06 3.04 -1.39 -3.24 116.94 116.94 2kpo h PHE 96 Ca 0.11 -0.00 0.07 0.00 3.98 0.00 0.00 57.97 62.13 2kpo h PHE 96 Cb 0.41 0.01 -0.07 0.00 2.56 0.00 0.00 35.95 38.86 2kpo h PHE 96 CO 0.02 0.33 0.65 1.03 -2.02 0.00 0.00 178.31 178.32 2kpo h SER 97 N -0.40 1.04 0.31 0.41 0.87 -1.07 -1.88 113.55 112.82 2kpo h SER 97 Ca -0.00 0.01 -0.01 0.00 -1.23 0.00 0.00 61.79 60.56 2kpo h SER 97 Cb 0.38 -0.21 -0.00 0.00 -0.44 0.00 0.00 62.40 62.12 2kpo h SER 97 CO 0.01 0.66 -0.04 -0.33 -0.53 0.00 0.00 176.83 176.59 2kpo h GLU 98 N 1.18 0.00 -0.10 2.24 5.08 -1.45 -2.92 114.58 118.61 2kpo h GLU 98 Ca 0.43 0.00 -0.12 0.00 -1.00 0.00 0.00 59.36 58.67 2kpo h GLU 98 Cb 0.17 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.42 2kpo h GLU 98 CO -0.17 0.04 -0.43 0.93 -1.00 0.00 0.00 179.01 178.38 2kpo h GLU 99 N 0.00 0.46 0.00 2.33 5.08 -1.37 -3.47 114.58 117.61 2kpo h GLU 99 Ca -0.00 -0.37 0.00 0.00 -1.00 0.00 0.00 59.36 57.99 2kpo h GLU 99 Cb 0.21 0.07 0.00 0.00 0.50 0.00 0.00 28.75 29.53 2kpo h GLU 99 CO 0.01 1.00 0.00 0.41 -1.00 0.00 0.00 179.01 179.42 2kpo n GLY 100 N 0.68 1.97 0.60 -3.84 0.00 -1.10 -3.59 105.19 99.91 2kpo n GLY 100 Ca -0.08 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.94 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 0.82 1.30 -0.02 0.00 -1.26 -4.82 105.19 101.21 2kpo n GLY 101 Ca 0.00 -0.31 -0.08 0.00 0.00 0.00 0.00 46.02 45.63 2kpo n GLY 101 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2kpo n SER 102 N 0.56 3.16 0.00 1.61 3.41 -1.24 -4.83 113.62 116.30 2kpo n SER 102 Ca 0.00 -3.77 0.00 0.00 -0.26 0.00 0.00 58.87 54.84 2kpo n SER 102 Cb 0.00 -0.44 0.00 0.00 -0.26 0.00 0.00 64.21 63.51 2kpo n SER 102 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 2kpo n LEU 103 N -0.90 2.35 -0.10 1.04 4.77 -1.26 -4.29 117.00 118.62 2kpo n LEU 103 Ca 0.30 0.11 -0.04 0.00 -0.03 0.00 0.00 56.01 56.35 2kpo n LEU 103 Cb 0.83 -0.01 0.18 0.00 -2.33 0.00 0.00 43.42 42.09 2kpo n LEU 103 CO 0.16 -0.01 0.90 -0.33 -1.33 0.00 0.00 177.39 176.78 2kpo h GLU 104 N 0.00 0.76 -5.26 3.23 4.39 -2.00 -3.34 114.58 112.36 2kpo h GLU 104 Ca 0.00 -0.19 -0.66 0.00 0.34 0.00 0.00 59.36 58.85 2kpo h GLU 104 Cb 0.00 -0.09 -0.16 0.00 -0.10 0.00 0.00 28.75 28.40 2kpo h GLU 104 CO 0.00 0.76 0.76 -1.01 -1.16 0.00 0.00 179.01 178.37 2kpo s HIS 105 N -5.01 2.91 -0.62 4.33 3.76 -1.26 -5.00 115.29 114.40 2kpo s HIS 105 Ca -0.09 -1.03 -0.28 0.00 -0.15 0.00 0.00 55.06 53.51 2kpo s HIS 105 Cb 0.15 -4.31 0.02 0.00 1.11 0.00 0.00 32.58 29.54 2kpo s HIS 105 CO 0.80 -1.58 1.35 -1.01 -0.85 0.00 0.00 174.74 173.45 2kpo s HIS 106 N 3.37 2.33 -0.27 1.40 3.76 -1.26 -4.63 115.29 120.00 2kpo s HIS 106 Ca 0.29 0.34 0.22 0.00 -0.15 0.00 0.00 55.06 55.76 2kpo s HIS 106 Cb -0.09 -4.47 -0.25 0.00 1.11 0.00 0.00 32.58 28.87 2kpo s HIS 106 CO -0.02 -1.92 0.65 1.58 -0.85 0.00 0.00 174.74 174.18 2kpo n HIS 107 N 9.41 0.11 0.05 1.40 -0.00 -1.26 -4.20 115.22 120.73 2kpo n HIS 107 Ca 0.09 0.03 -0.20 0.00 0.46 0.00 0.00 57.72 58.11 2kpo n HIS 107 Cb 0.49 -0.45 -0.14 0.00 -0.12 0.00 0.00 29.99 29.77 2kpo n HIS 107 CO 0.00 0.00 0.00 1.25 0.46 0.00 0.00 176.34 178.05 2kpo h HIS 108 N 0.00 0.58 -3.31 1.57 6.17 -1.90 -3.45 115.15 114.81 2kpo h HIS 108 Ca 0.00 -0.41 -0.30 0.00 0.71 0.00 0.00 60.37 60.37 2kpo h HIS 108 Cb 0.89 -0.03 -0.35 0.00 2.52 0.00 0.00 27.41 30.44 2kpo h HIS 108 CO 0.00 1.30 -0.68 -1.01 0.71 0.00 0.00 177.93 178.26 2kpo s HIS 109 N -2.53 -0.06 -1.04 5.26 3.76 -1.26 -5.33 115.29 114.09 2kpo s HIS 109 Ca -0.13 0.36 0.08 0.00 -0.15 0.00 0.00 55.06 55.22 2kpo s HIS 109 Cb 0.01 -0.26 0.07 0.00 1.11 0.00 0.00 32.58 33.51 2kpo s HIS 109 CO 0.84 -0.17 0.76 1.58 -0.85 0.00 0.00 174.74 176.90