#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 4.29 -0.05 -0.89 1.02 0.02 -4.97 118.68 118.11 2kpo s LEU 2 Ca 0.00 0.58 0.02 0.00 0.02 0.00 0.00 54.13 54.75 2kpo s LEU 2 Cb 0.00 -3.17 0.01 0.00 0.02 0.00 0.00 46.19 43.05 2kpo s LEU 2 CO 0.00 0.10 -0.09 -0.76 0.02 0.00 0.00 176.35 175.62 2kpo s LEU 3 N -2.46 1.59 0.07 1.79 1.43 -1.26 -1.96 118.68 117.88 2kpo s LEU 3 Ca 0.38 -0.22 0.06 0.00 -1.03 0.00 0.00 54.13 53.32 2kpo s LEU 3 Cb -0.12 -0.64 -0.03 0.00 0.03 0.00 0.00 46.19 45.43 2kpo s LEU 3 CO 0.23 0.02 -0.16 -0.31 0.23 0.00 0.00 176.35 176.36 2kpo s TYR 4 N 0.59 1.34 -0.00 0.29 1.51 -0.64 -4.15 117.35 116.30 2kpo s TYR 4 Ca -0.10 -0.43 0.07 0.00 -1.01 0.00 0.00 57.07 55.60 2kpo s TYR 4 Cb -0.13 -0.76 -0.02 0.00 -0.11 0.00 0.00 41.96 40.94 2kpo s TYR 4 CO 0.02 0.08 -0.23 0.08 -1.11 0.00 0.00 175.55 174.39 2kpo s VAL 5 N -1.14 1.79 -0.04 0.71 1.01 -0.79 -1.29 120.40 120.65 2kpo s VAL 5 Ca 0.01 -1.03 0.06 0.00 0.00 0.00 0.00 61.98 61.01 2kpo s VAL 5 Cb -0.09 -1.50 -0.01 0.00 0.00 0.00 0.00 36.38 34.77 2kpo s VAL 5 CO 0.02 0.45 -0.23 -0.76 0.00 0.00 0.00 175.10 174.58 2kpo s LEU 6 N -0.69 2.03 -0.00 3.92 1.43 0.14 -0.33 118.68 125.19 2kpo s LEU 6 Ca 0.09 -0.45 0.04 0.00 -1.03 0.00 0.00 54.13 52.78 2kpo s LEU 6 Cb -0.09 -1.23 -0.01 0.00 0.03 0.00 0.00 46.19 44.89 2kpo s LEU 6 CO -0.00 0.24 -0.12 -0.51 0.23 0.00 0.00 176.35 176.19 2kpo s ILE 7 N -0.26 0.97 -0.29 -0.59 2.07 -0.55 -0.33 121.20 122.22 2kpo s ILE 7 Ca 0.01 -0.59 0.01 0.00 -1.41 0.00 0.00 60.65 58.67 2kpo s ILE 7 Cb -0.12 -0.82 0.08 0.00 0.13 0.00 0.00 42.46 41.73 2kpo s ILE 7 CO 0.02 0.22 0.02 -0.63 -1.91 0.00 0.00 174.94 172.66 2kpo s ILE 8 N -0.38 1.62 0.12 2.00 1.01 0.72 -0.45 121.20 125.83 2kpo s ILE 8 Ca 0.04 -1.65 -0.24 0.00 0.00 0.00 0.00 60.65 58.80 2kpo s ILE 8 Cb -0.05 -2.07 0.08 0.00 0.01 0.00 0.00 42.46 40.43 2kpo s ILE 8 CO -0.00 -0.42 0.65 -0.55 0.00 0.00 0.00 174.94 174.62 2kpo s SER 9 N 1.29 -0.54 -0.01 3.58 0.15 -1.23 -2.50 113.70 114.43 2kpo s SER 9 Ca 0.04 0.05 0.20 0.00 0.70 0.00 0.00 55.95 56.94 2kpo s SER 9 Cb -0.18 0.56 -0.24 0.00 -1.71 0.00 0.00 66.02 64.44 2kpo s SER 9 CO -0.12 -0.89 0.78 0.59 1.20 0.00 0.00 173.24 174.80 2kpo n ASN 10 N -0.27 0.80 -4.44 5.45 3.02 -1.26 -4.88 115.26 113.68 2kpo n ASN 10 Ca -0.16 -0.78 -0.44 0.00 -0.03 0.00 0.00 54.58 53.18 2kpo n ASN 10 Cb 0.64 1.20 -0.06 0.00 -0.61 0.00 0.00 39.78 40.95 2kpo n ASN 10 CO 0.00 0.00 0.00 -1.81 -2.62 0.00 0.00 177.26 172.83 2kpo s ASP 11 N -3.24 6.22 0.54 6.41 1.11 -1.26 -4.93 116.67 121.52 2kpo s ASP 11 Ca 0.04 -0.95 0.23 0.00 0.18 0.00 0.00 52.55 52.05 2kpo s ASP 11 Cb 0.15 -2.29 1.44 0.00 1.07 0.00 0.00 42.92 43.29 2kpo s ASP 11 CO 0.85 -0.89 2.09 0.11 1.18 0.00 0.00 175.17 178.51 2kpo h LYS 12 N 8.99 0.00 -0.47 8.23 1.79 -1.99 -1.91 116.57 131.21 2kpo h LYS 12 Ca -0.28 0.00 0.05 0.00 -2.18 0.00 0.00 60.65 58.24 2kpo h LYS 12 Cb 1.10 0.00 -0.04 0.00 -1.58 0.00 0.00 32.23 31.70 2kpo h LYS 12 CO 0.97 0.00 0.21 0.87 -1.08 0.00 0.00 179.45 180.42 2kpo h LYS 13 N 0.00 0.41 -0.08 3.15 1.79 -1.99 0.29 116.57 120.14 2kpo h LYS 13 Ca 0.10 -0.02 -0.17 0.00 -2.18 0.00 0.00 60.65 58.38 2kpo h LYS 13 Cb 0.45 -0.09 -0.01 0.00 -1.58 0.00 0.00 32.23 30.99 2kpo h LYS 13 CO -0.00 0.27 -0.67 1.25 -1.08 0.00 0.00 179.45 179.22 2kpo h LEU 14 N 0.42 0.39 0.03 2.94 6.46 -1.79 -2.95 115.31 120.81 2kpo h LEU 14 Ca 0.21 -0.24 -0.00 0.00 -0.12 0.00 0.00 57.88 57.73 2kpo h LEU 14 Cb 0.15 -0.11 0.00 0.00 -0.73 0.00 0.00 40.66 39.97 2kpo h LEU 14 CO -0.17 0.95 -0.01 0.40 -0.62 0.00 0.00 178.44 178.98 2kpo h ILE 15 N 0.24 1.35 0.08 4.05 2.04 -1.13 -3.06 117.51 121.09 2kpo h ILE 15 Ca -0.02 -1.23 0.01 0.00 1.00 0.00 0.00 64.86 64.63 2kpo h ILE 15 Cb 1.22 2.17 -0.02 0.00 -0.74 0.00 0.00 36.82 39.45 2kpo h ILE 15 CO 0.11 0.31 -0.14 -0.33 0.00 0.00 0.00 178.15 178.10 2kpo h GLU 16 N -0.57 -0.27 -0.70 2.37 5.08 -0.50 -0.59 114.58 119.40 2kpo h GLU 16 Ca -0.00 0.02 0.09 0.00 -1.00 0.00 0.00 59.36 58.46 2kpo h GLU 16 Cb 0.54 0.06 -0.05 0.00 0.50 0.00 0.00 28.75 29.80 2kpo h GLU 16 CO 0.01 -0.18 0.46 0.93 -1.00 0.00 0.00 179.01 179.23 2kpo h GLU 17 N -0.28 0.60 -0.22 2.33 4.39 -1.64 0.18 114.58 119.94 2kpo h GLU 17 Ca 0.02 -0.04 -0.05 0.00 0.34 0.00 0.00 59.36 59.63 2kpo h GLU 17 Cb 0.29 -0.13 -0.01 0.00 -0.10 0.00 0.00 28.75 28.80 2kpo h GLU 17 CO -0.08 0.39 -0.07 0.00 -1.16 0.00 0.00 179.01 178.09 2kpo h ALA 18 N 1.64 0.31 -0.88 3.43 0.00 -1.33 -3.10 119.26 119.33 2kpo h ALA 18 Ca 0.32 -0.27 -0.02 0.00 0.00 0.00 0.00 54.91 54.93 2kpo h ALA 18 Cb 0.43 -0.08 -0.04 0.00 0.00 0.00 0.00 17.79 18.10 2kpo h ALA 18 CO -0.11 0.12 0.46 0.00 0.00 0.00 0.00 179.25 179.72 2kpo h ARG 19 N 0.16 1.23 -0.01 0.00 3.08 0.23 -0.56 114.38 118.52 2kpo h ARG 19 Ca 0.05 -0.15 0.00 0.00 0.07 0.00 0.00 59.98 59.95 2kpo h ARG 19 Cb 0.55 -0.24 -0.00 0.00 0.08 0.00 0.00 29.97 30.36 2kpo h ARG 19 CO 0.03 0.91 0.01 0.87 -1.07 0.00 0.00 179.97 180.72 2kpo h LYS 20 N 1.23 0.00 0.00 0.04 1.57 -0.70 0.99 116.57 119.71 2kpo h LYS 20 Ca 0.31 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 59.08 2kpo h LYS 20 Cb 0.05 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.37 2kpo h LYS 20 CO -0.05 0.00 -0.03 0.52 -0.57 0.00 0.00 179.45 179.32 2kpo h MET 21 N 0.00 0.01 -0.50 3.15 2.86 -1.37 -3.36 114.93 115.72 2kpo h MET 21 Ca 0.00 -0.02 0.09 0.00 -2.06 0.00 0.00 59.70 57.71 2kpo h MET 21 Cb 0.02 0.01 -0.07 0.00 0.06 0.00 0.00 31.60 31.62 2kpo h MET 21 CO -0.00 0.94 0.10 0.00 1.06 0.00 0.00 176.91 179.01 2kpo h ALA 22 N 0.08 0.57 -0.66 6.32 0.00 -0.06 0.15 119.26 125.65 2kpo h ALA 22 Ca -0.01 0.11 0.12 0.00 0.00 0.00 0.00 54.91 55.13 2kpo h ALA 22 Cb 0.95 0.14 -0.09 0.00 0.00 0.00 0.00 17.79 18.80 2kpo h ALA 22 CO 0.01 -0.31 0.20 0.93 0.00 0.00 0.00 179.25 180.08 2kpo h GLU 23 N 0.24 0.33 0.00 0.00 4.39 -0.97 0.13 114.58 118.69 2kpo h GLU 23 Ca 0.25 -0.02 -0.10 0.00 0.34 0.00 0.00 59.36 59.83 2kpo h GLU 23 Cb 0.34 -0.08 -0.01 0.00 -0.10 0.00 0.00 28.75 28.90 2kpo h GLU 23 CO -0.33 0.22 -0.50 0.87 -1.16 0.00 0.00 179.01 178.11 2kpo h LYS 24 N 0.34 0.00 -0.05 2.33 6.56 -1.33 -2.20 116.57 122.22 2kpo h LYS 24 Ca 0.35 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.94 2kpo h LYS 24 Cb 0.52 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 32.18 2kpo h LYS 24 CO -0.39 0.50 0.00 0.00 -2.06 0.00 0.00 179.45 177.49 2kpo n ALA 25 N -2.33 2.59 -1.92 3.86 0.00 0.38 -4.91 120.51 118.19 2kpo n ALA 25 Ca -0.00 -0.30 -0.17 0.00 0.00 0.00 0.00 53.44 52.97 2kpo n ALA 25 Cb 0.59 -1.26 -0.04 0.00 0.00 0.00 0.00 19.45 18.74 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 -0.37 -5.07 -4.52 0.00 3.02 -0.03 -4.99 115.26 103.29 2kpo n ASN 26 Ca 0.17 0.20 -0.34 0.00 -0.03 0.00 0.00 54.58 54.58 2kpo n ASN 26 Cb 0.19 -4.13 -0.12 0.00 -0.61 0.00 0.00 39.78 35.11 2kpo n ASN 26 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 2kpo s LEU 27 N -4.45 3.39 -0.40 3.41 1.43 0.24 -4.97 118.68 117.33 2kpo s LEU 27 Ca 0.00 -0.10 -0.29 0.00 -1.03 0.00 0.00 54.13 52.71 2kpo s LEU 27 Cb 0.00 -1.84 0.01 0.00 0.03 0.00 0.00 46.19 44.39 2kpo s LEU 27 CO 0.00 0.14 1.34 -1.61 0.23 0.00 0.00 176.35 176.45 2kpo s GLU 28 N 0.56 3.68 -0.22 1.70 0.41 -1.26 -3.96 118.70 119.61 2kpo s GLU 28 Ca -0.01 0.94 -0.17 0.00 -0.41 0.00 0.00 54.97 55.33 2kpo s GLU 28 Cb -0.14 -3.97 -0.03 0.00 -1.78 0.00 0.00 34.13 28.21 2kpo s GLU 28 CO 0.02 -1.43 0.46 -1.17 -0.49 0.00 0.00 175.26 172.65 2kpo s LEU 29 N 5.02 4.11 -0.11 1.80 0.20 -1.26 -1.89 118.68 126.55 2kpo s LEU 29 Ca 0.58 0.53 -0.04 0.00 0.69 0.00 0.00 54.13 55.89 2kpo s LEU 29 Cb -0.13 -2.59 -0.04 0.00 -0.43 0.00 0.00 46.19 43.00 2kpo s LEU 29 CO 0.30 -0.17 0.05 -0.13 -0.29 0.00 0.00 176.35 176.11 2kpo s ARG 30 N 1.75 3.27 -0.23 1.98 1.81 0.55 -4.99 118.95 123.09 2kpo s ARG 30 Ca 0.20 -0.31 -0.15 0.00 -1.72 0.00 0.00 55.73 53.75 2kpo s ARG 30 Cb -0.15 -2.98 -0.04 0.00 -0.45 0.00 0.00 34.95 31.33 2kpo s ARG 30 CO 0.09 0.67 0.36 0.95 -0.68 0.00 0.00 175.30 176.69 2kpo s THR 31 N -0.76 5.21 0.08 0.02 -4.23 -1.26 -1.48 115.64 113.23 2kpo s THR 31 Ca 0.12 0.61 0.09 0.00 -1.18 0.00 0.00 61.69 61.33 2kpo s THR 31 Cb -0.12 -3.69 -0.03 0.00 1.34 0.00 0.00 72.50 70.00 2kpo s THR 31 CO 0.03 0.23 -0.25 -0.69 -0.54 0.00 0.00 174.62 173.40 2kpo s VAL 32 N 1.52 2.02 0.00 2.29 1.01 0.40 -4.97 120.40 122.68 2kpo s VAL 32 Ca 0.16 -1.51 0.00 0.00 0.00 0.00 0.00 61.98 60.63 2kpo s VAL 32 Cb -0.15 -1.77 0.00 0.00 0.00 0.00 0.00 36.38 34.46 2kpo s VAL 32 CO 0.08 0.17 0.00 0.29 0.00 0.00 0.00 175.10 175.64 2kpo n LYS 33 N 1.36 0.81 -4.53 2.72 5.02 -1.26 -3.56 118.16 118.72 2kpo n LYS 33 Ca -0.18 0.00 -0.25 0.00 -2.02 0.00 0.00 58.31 55.86 2kpo n LYS 33 Cb 0.53 -0.80 -0.09 0.00 -0.02 0.00 0.00 35.03 34.65 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 -1.59 0.96 0.11 -0.18 -4.23 -1.26 -4.97 115.64 104.48 2kpo s THR 34 Ca 0.00 -2.00 -0.23 0.00 -1.18 0.00 0.00 61.69 58.28 2kpo s THR 34 Cb 0.00 -2.52 -0.09 0.00 1.34 0.00 0.00 72.50 71.24 2kpo s THR 34 CO 0.00 0.00 1.70 -0.08 -0.54 0.00 0.00 174.62 175.70 2kpo h GLU 35 N 1.84 -0.14 -0.90 3.99 4.81 -2.00 -2.11 114.58 120.07 2kpo h GLU 35 Ca -0.39 0.01 0.11 0.00 -0.13 0.00 0.00 59.36 58.96 2kpo h GLU 35 Cb 1.27 0.03 -0.07 0.00 0.63 0.00 0.00 28.75 30.61 2kpo h GLU 35 CO 0.65 -0.09 0.58 0.22 -0.73 0.00 0.00 179.01 179.64 2kpo h ASP 36 N -0.14 0.77 0.36 1.04 1.82 -1.98 0.10 116.42 118.38 2kpo h ASP 36 Ca 0.04 0.03 -0.02 0.00 -0.39 0.00 0.00 57.03 56.70 2kpo h ASP 36 Cb 0.20 -0.13 0.00 0.00 0.68 0.00 0.00 39.33 40.09 2kpo h ASP 36 CO -0.11 0.43 -0.17 -0.33 -1.61 0.00 0.00 179.24 177.45 2kpo h GLU 37 N 0.84 -0.46 -0.42 0.28 5.08 -1.88 0.22 114.58 118.24 2kpo h GLU 37 Ca 0.43 0.03 0.07 0.00 -1.00 0.00 0.00 59.36 58.90 2kpo h GLU 37 Cb 0.50 0.10 -0.06 0.00 0.50 0.00 0.00 28.75 29.80 2kpo h GLU 37 CO -0.19 -0.22 0.04 1.25 -1.00 0.00 0.00 179.01 178.89 2kpo h LEU 38 N -0.63 -0.09 -0.97 1.33 7.12 -0.70 -0.05 115.31 121.32 2kpo h LEU 38 Ca -0.05 0.09 0.06 0.00 0.13 0.00 0.00 57.88 58.11 2kpo h LEU 38 Cb 0.46 0.14 -0.06 0.00 -0.53 0.00 0.00 40.66 40.66 2kpo h LEU 38 CO 0.08 -0.01 0.62 0.50 -0.13 0.00 0.00 178.44 179.50 2kpo h LYS 39 N 0.16 1.10 -0.23 1.25 3.64 -0.97 -2.75 116.57 118.77 2kpo h LYS 39 Ca 0.21 -0.07 0.06 0.00 -1.27 0.00 0.00 60.65 59.58 2kpo h LYS 39 Cb 0.28 -0.25 -0.07 0.00 -0.41 0.00 0.00 32.23 31.78 2kpo h LYS 39 CO -0.31 0.73 -0.23 -0.22 -2.27 0.00 0.00 179.45 177.15 2kpo h LYS 40 N 1.14 -0.23 -0.35 1.90 1.63 0.14 0.06 116.57 120.86 2kpo h LYS 40 Ca 0.41 0.02 -0.12 0.00 -0.85 0.00 0.00 60.65 60.11 2kpo h LYS 40 Cb 0.15 0.05 -0.01 0.00 -0.60 0.00 0.00 32.23 31.82 2kpo h LYS 40 CO -0.17 -0.16 -0.28 1.88 -3.45 0.00 0.00 179.45 177.28 2kpo h TYR 41 N -0.24 0.84 -0.97 1.91 0.05 -1.40 -2.66 116.97 114.50 2kpo h TYR 41 Ca 0.13 -0.21 0.02 0.00 0.05 0.00 0.00 58.73 58.72 2kpo h TYR 41 Cb 0.45 -0.19 -0.05 0.00 1.01 0.00 0.00 36.73 37.94 2kpo h TYR 41 CO -0.38 0.93 0.64 -0.07 -1.05 0.00 0.00 178.16 178.22 2kpo h LEU 42 N 0.63 1.09 -0.96 3.88 3.38 -1.09 0.11 115.31 122.35 2kpo h LEU 42 Ca 0.08 -0.02 0.03 0.00 0.09 0.00 0.00 57.88 58.05 2kpo h LEU 42 Cb 0.79 -0.27 -0.05 0.00 0.09 0.00 0.00 40.66 41.22 2kpo h LEU 42 CO 0.07 0.78 0.63 -0.33 0.09 0.00 0.00 178.44 179.67 2kpo h GLU 43 N 1.28 1.19 -0.47 1.13 5.08 -0.67 0.40 114.58 122.53 2kpo h GLU 43 Ca 0.36 -0.07 -0.13 0.00 -1.00 0.00 0.00 59.36 58.52 2kpo h GLU 43 Cb -0.11 -0.27 -0.01 0.00 0.50 0.00 0.00 28.75 28.86 2kpo h GLU 43 CO -0.09 0.79 -0.21 1.49 -1.00 0.00 0.00 179.01 179.99 2kpo h GLU 44 N 1.23 0.95 0.00 2.33 4.81 -1.10 -2.85 114.58 119.95 2kpo h GLU 44 Ca 0.38 -0.40 -0.02 0.00 -0.13 0.00 0.00 59.36 59.19 2kpo h GLU 44 Cb -0.03 -0.04 -0.00 0.00 0.63 0.00 0.00 28.75 29.31 2kpo h GLU 44 CO -0.11 1.06 -0.10 0.74 -0.73 0.00 0.00 179.01 179.87 2kpo h PHE 45 N 0.82 0.00 0.00 0.92 0.05 -0.01 -0.30 116.94 118.43 2kpo h PHE 45 Ca 0.11 0.00 -0.03 0.00 3.82 0.00 0.00 57.97 61.87 2kpo h PHE 45 Cb 0.77 0.00 -0.00 0.00 2.00 0.00 0.00 35.95 38.72 2kpo h PHE 45 CO 0.05 0.10 -0.12 0.00 -0.18 0.00 0.00 178.31 178.16 2kpo h ARG 46 N 0.00 0.00 0.12 1.51 2.47 -0.70 -0.79 114.38 116.99 2kpo h ARG 46 Ca -0.00 0.00 -0.28 0.00 -1.26 0.00 0.00 59.98 58.44 2kpo h ARG 46 Cb 0.39 0.00 0.02 0.00 -1.65 0.00 0.00 29.97 28.72 2kpo h ARG 46 CO 0.01 0.12 -1.21 0.87 0.56 0.00 0.00 179.97 180.32 2kpo h LYS 47 N 0.00 0.44 -0.55 0.04 1.57 -1.10 -3.14 116.57 113.83 2kpo h LYS 47 Ca -0.00 -0.63 0.00 0.00 -1.87 0.00 0.00 60.65 58.15 2kpo h LYS 47 Cb 0.28 0.22 0.00 0.00 0.08 0.00 0.00 32.23 32.81 2kpo h LYS 47 CO 0.02 1.27 0.00 0.39 -0.57 0.00 0.00 179.45 180.56 2kpo n GLU 48 N -3.68 2.36 0.29 3.15 4.71 -1.06 -4.51 120.64 121.91 2kpo n GLU 48 Ca -0.11 -1.50 0.16 0.00 -0.01 0.00 0.00 57.16 55.70 2kpo n GLU 48 Cb 0.98 -1.54 0.78 0.00 -1.01 0.00 0.00 31.44 30.65 2kpo n GLU 48 CO 0.00 0.00 0.00 0.66 0.09 0.00 0.00 177.13 177.88 2kpo h SER 49 N 2.20 0.00 -0.40 1.62 4.64 -1.10 -2.40 113.55 118.12 2kpo h SER 49 Ca 0.00 0.00 0.02 0.00 -0.47 0.00 0.00 61.79 61.34 2kpo h SER 49 Cb 0.82 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 62.88 2kpo h SER 49 CO 0.10 0.00 0.21 1.56 -0.87 0.00 0.00 176.83 177.84 2kpo h GLN 50 N 0.00 0.42 -2.28 4.77 1.08 -1.86 -3.38 115.11 113.86 2kpo h GLN 50 Ca 0.03 -0.03 -0.42 0.00 -1.45 0.00 0.00 58.65 56.79 2kpo h GLN 50 Cb 0.78 -0.09 -0.35 0.00 -0.05 0.00 0.00 27.48 27.77 2kpo h GLN 50 CO -0.00 0.28 -0.71 -0.80 -0.95 0.00 0.00 178.83 176.65 2kpo s ASN 51 N -5.47 2.07 -0.23 1.46 0.01 -0.90 -5.09 114.94 106.80 2kpo s ASN 51 Ca -0.13 -1.32 -0.25 0.00 -0.71 0.00 0.00 52.86 50.45 2kpo s ASN 51 Cb 0.12 0.22 0.07 0.00 0.41 0.00 0.00 41.25 42.07 2kpo s ASN 51 CO 0.72 -0.35 0.69 -0.51 -1.51 0.00 0.00 177.10 176.14 2kpo s ILE 52 N 1.84 0.00 -0.04 0.60 2.07 -1.25 -0.80 121.20 123.63 2kpo s ILE 52 Ca 0.13 -0.00 0.05 0.00 -1.41 0.00 0.00 60.65 59.41 2kpo s ILE 52 Cb -0.16 -0.97 -0.01 0.00 0.13 0.00 0.00 42.46 41.45 2kpo s ILE 52 CO -0.20 -0.00 -0.18 -0.54 -1.91 0.00 0.00 174.94 172.11 2kpo s LYS 53 N 0.13 1.81 -0.09 3.50 1.02 -0.83 -4.75 119.74 120.53 2kpo s LYS 53 Ca -0.02 -0.66 0.01 0.00 0.02 0.00 0.00 55.97 55.33 2kpo s LYS 53 Cb -0.04 -1.60 -0.02 0.00 -0.52 0.00 0.00 37.83 35.64 2kpo s LYS 53 CO 0.02 0.30 -0.12 0.08 -0.92 0.00 0.00 175.35 174.71 2kpo s VAL 54 N -0.10 3.21 -0.09 3.17 1.01 -0.08 -1.61 120.40 125.91 2kpo s VAL 54 Ca -0.01 -0.64 -0.00 0.00 0.00 0.00 0.00 61.98 61.33 2kpo s VAL 54 Cb -0.11 -2.31 -0.03 0.00 0.00 0.00 0.00 36.38 33.94 2kpo s VAL 54 CO 0.02 0.56 -0.07 -0.22 0.00 0.00 0.00 175.10 175.39 2kpo s LEU 55 N -0.31 3.12 -0.13 3.92 2.96 -0.41 -1.82 118.68 126.00 2kpo s LEU 55 Ca 0.03 -0.08 0.01 0.00 -0.22 0.00 0.00 54.13 53.87 2kpo s LEU 55 Cb -0.13 -1.69 0.02 0.00 0.50 0.00 0.00 46.19 44.89 2kpo s LEU 55 CO 0.03 0.30 -0.15 -0.63 -1.32 0.00 0.00 176.35 174.58 2kpo s ILE 56 N -0.45 1.56 -0.24 6.68 1.01 -0.15 0.28 121.20 129.89 2kpo s ILE 56 Ca 0.07 -0.65 -0.01 0.00 0.00 0.00 0.00 60.65 60.06 2kpo s ILE 56 Cb -0.12 -1.44 0.03 0.00 0.01 0.00 0.00 42.46 40.94 2kpo s ILE 56 CO 0.02 0.45 -0.09 -0.76 0.00 0.00 0.00 174.94 174.56 2kpo s LEU 57 N 1.21 3.02 0.18 2.97 2.01 0.55 -0.49 118.68 128.13 2kpo s LEU 57 Ca -0.01 -0.88 0.09 0.00 0.01 0.00 0.00 54.13 53.34 2kpo s LEU 57 Cb -0.14 -1.62 -0.04 0.00 0.01 0.00 0.00 46.19 44.40 2kpo s LEU 57 CO -0.06 -0.11 -0.12 0.68 1.01 0.00 0.00 176.35 177.75 2kpo s VAL 58 N 1.29 3.03 -0.15 -1.59 -7.23 0.15 -0.20 120.40 115.70 2kpo s VAL 58 Ca 0.00 -1.73 -0.25 0.00 -1.81 0.00 0.00 61.98 58.19 2kpo s VAL 58 Cb -0.16 -2.49 -0.22 0.00 0.56 0.00 0.00 36.38 34.06 2kpo s VAL 58 CO -0.06 -0.11 0.57 0.77 -0.31 0.00 0.00 175.10 175.96 2kpo h SER 59 N 2.96 0.00 -2.31 4.85 4.64 -1.71 0.92 113.55 122.91 2kpo h SER 59 Ca -0.47 -0.79 -0.58 0.00 -0.47 0.00 0.00 61.79 59.48 2kpo h SER 59 Cb 1.21 0.00 -0.11 0.00 -0.31 0.00 0.00 62.40 63.19 2kpo h SER 59 CO 0.53 1.06 -0.68 0.20 -0.87 0.00 0.00 176.83 177.07 2kpo s ASN 60 N -6.29 4.31 0.26 4.97 0.01 -1.26 -4.62 114.94 112.32 2kpo s ASN 60 Ca -0.20 -0.72 -0.03 0.00 -0.71 0.00 0.00 52.86 51.21 2kpo s ASN 60 Cb -0.01 -0.71 0.40 0.00 0.41 0.00 0.00 41.25 41.34 2kpo s ASN 60 CO 0.60 0.02 1.88 -2.24 -1.51 0.00 0.00 177.10 175.85 2kpo h ASP 61 N 2.10 1.01 -0.26 -1.22 2.03 -1.99 -0.98 116.42 117.11 2kpo h ASP 61 Ca -0.44 0.01 0.05 0.00 -0.73 0.00 0.00 57.03 55.93 2kpo h ASP 61 Cb 1.25 -0.20 -0.05 0.00 -0.83 0.00 0.00 39.33 39.49 2kpo h ASP 61 CO 0.59 0.64 -0.07 -0.08 -1.03 0.00 0.00 179.24 179.30 2kpo h GLU 62 N 1.15 -0.01 -0.67 4.15 4.81 -1.99 -0.21 114.58 121.81 2kpo h GLU 62 Ca 0.43 0.00 0.02 0.00 -0.13 0.00 0.00 59.36 59.68 2kpo h GLU 62 Cb 0.18 0.00 -0.04 0.00 0.63 0.00 0.00 28.75 29.52 2kpo h GLU 62 CO -0.18 -0.00 0.44 0.93 -0.73 0.00 0.00 179.01 179.47 2kpo h GLU 63 N -0.01 0.83 0.14 1.92 4.39 -1.79 -1.74 114.58 118.32 2kpo h GLU 63 Ca 0.13 -0.05 -0.01 0.00 0.34 0.00 0.00 59.36 59.77 2kpo h GLU 63 Cb 0.20 -0.19 0.00 0.00 -0.10 0.00 0.00 28.75 28.67 2kpo h GLU 63 CO -0.28 0.55 -0.07 1.25 -1.16 0.00 0.00 179.01 179.31 2kpo h LEU 64 N 0.85 -0.15 -0.96 1.33 5.85 -0.04 -1.68 115.31 120.50 2kpo h LEU 64 Ca 0.26 -0.05 -0.10 0.00 0.84 0.00 0.00 57.88 58.82 2kpo h LEU 64 Cb -0.01 0.04 -0.01 0.00 0.37 0.00 0.00 40.66 41.04 2kpo h LEU 64 CO -0.06 -0.05 -0.39 -0.78 -0.34 0.00 0.00 178.44 176.82 2kpo h ASP 65 N -0.25 0.26 -0.44 1.25 3.58 -0.84 -2.59 116.42 117.39 2kpo h ASP 65 Ca -0.02 -0.11 -0.03 0.00 0.42 0.00 0.00 57.03 57.29 2kpo h ASP 65 Cb 0.20 -0.07 -0.02 0.00 1.72 0.00 0.00 39.33 41.16 2kpo h ASP 65 CO 0.03 0.63 0.14 0.11 -2.88 0.00 0.00 179.24 177.28 2kpo h LYS 66 N 0.22 0.68 -0.56 0.28 1.79 -1.24 -2.29 116.57 115.45 2kpo h LYS 66 Ca 0.02 -0.14 0.02 0.00 -2.18 0.00 0.00 60.65 58.37 2kpo h LYS 66 Cb 0.79 -0.10 -0.03 0.00 -1.58 0.00 0.00 32.23 31.30 2kpo h LYS 66 CO 0.06 0.66 0.34 0.00 -1.08 0.00 0.00 179.45 179.43 2kpo h ALA 67 N 0.99 0.72 0.00 3.86 0.00 -1.00 -2.60 119.26 121.24 2kpo h ALA 67 Ca 0.14 -0.02 -0.10 0.00 0.00 0.00 0.00 54.91 54.94 2kpo h ALA 67 Cb 0.25 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.85 2kpo h ALA 67 CO -0.01 0.08 -0.47 1.57 0.00 0.00 0.00 179.25 180.42 2kpo h LYS 68 N 0.69 0.00 0.64 0.00 2.10 -1.43 -1.83 116.57 116.73 2kpo h LYS 68 Ca 0.22 0.00 -0.02 0.00 -2.00 0.00 0.00 60.65 58.85 2kpo h LYS 68 Cb -0.00 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 31.32 2kpo h LYS 68 CO -0.09 0.47 -0.46 0.93 -2.00 0.00 0.00 179.45 178.30 2kpo h GLU 69 N 0.00 -1.01 -0.21 0.07 5.08 -1.03 -0.80 114.58 116.67 2kpo h GLU 69 Ca -0.00 0.07 0.04 0.00 -1.00 0.00 0.00 59.36 58.46 2kpo h GLU 69 Cb 0.90 0.23 -0.04 0.00 0.50 0.00 0.00 28.75 30.34 2kpo h GLU 69 CO 0.06 -0.68 -0.04 -0.07 -1.00 0.00 0.00 179.01 177.29 2kpo h LEU 70 N -1.05 -0.16 -0.57 1.33 3.38 -1.43 -1.93 115.31 114.88 2kpo h LEU 70 Ca -0.08 0.06 0.05 0.00 0.09 0.00 0.00 57.88 58.00 2kpo h LEU 70 Cb 0.87 0.12 -0.05 0.00 0.09 0.00 0.00 40.66 41.69 2kpo h LEU 70 CO 0.04 -0.05 0.30 0.00 0.09 0.00 0.00 178.44 178.82 2kpo h ALA 71 N 1.20 0.74 0.07 1.53 0.00 -1.31 -0.48 119.26 121.00 2kpo h ALA 71 Ca 0.10 0.02 -0.00 0.00 0.00 0.00 0.00 54.91 55.03 2kpo h ALA 71 Cb 0.15 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.84 2kpo h ALA 71 CO -0.20 -0.03 -0.03 1.96 0.00 0.00 0.00 179.25 180.95 2kpo h GLN 72 N 0.58 -0.08 -0.81 0.00 4.20 -0.89 0.12 115.11 118.23 2kpo h GLN 72 Ca 0.25 0.01 -0.04 0.00 0.06 0.00 0.00 58.65 58.93 2kpo h GLN 72 Cb 0.14 0.02 -0.04 0.00 0.30 0.00 0.00 27.48 27.90 2kpo h GLN 72 CO -0.16 0.05 0.36 0.87 -0.67 0.00 0.00 178.83 179.28 2kpo h LYS 73 N -0.21 1.18 -0.00 1.46 1.57 -1.14 -2.79 116.57 116.64 2kpo h LYS 73 Ca -0.01 -0.19 0.00 0.00 -1.87 0.00 0.00 60.65 58.58 2kpo h LYS 73 Cb 0.18 -0.20 0.00 0.00 0.08 0.00 0.00 32.23 32.28 2kpo h LYS 73 CO 0.01 0.93 -0.33 -1.33 -0.57 0.00 0.00 179.45 178.17 2kpo n MET 74 N -4.31 0.25 -3.03 3.15 2.81 -0.21 -5.00 117.12 110.78 2kpo n MET 74 Ca 0.08 -0.12 -0.06 0.00 -1.81 0.00 0.00 57.70 55.78 2kpo n MET 74 Cb 0.16 -1.50 0.01 0.00 -0.71 0.00 0.00 33.22 31.18 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 -1.27 -1.78 -4.30 0.03 1.02 0.41 -5.04 120.64 109.70 2kpo n GLU 75 Ca 0.08 1.72 -0.18 0.00 -0.02 0.00 0.00 57.16 58.76 2kpo n GLU 75 Cb 0.33 -5.44 -0.15 0.00 -0.02 0.00 0.00 31.44 26.16 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 -2.79 0.62 -0.57 -3.67 1.01 -1.07 -5.06 121.20 109.68 2kpo s ILE 76 Ca 0.11 -0.33 -0.26 0.00 0.00 0.00 0.00 60.65 60.17 2kpo s ILE 76 Cb -0.03 -0.53 -0.04 0.00 0.01 0.00 0.00 42.46 41.87 2kpo s ILE 76 CO 0.77 0.18 2.05 -0.62 0.00 0.00 0.00 174.94 177.32 2kpo s ASP 77 N -0.13 4.99 0.19 3.58 -1.08 -1.26 -4.86 116.67 118.10 2kpo s ASP 77 Ca 0.02 0.61 0.07 0.00 -0.52 0.00 0.00 52.55 52.73 2kpo s ASP 77 Cb -0.04 -2.52 -0.05 0.00 -1.46 0.00 0.00 42.92 38.86 2kpo s ASP 77 CO -0.00 -2.55 -0.13 0.68 0.52 0.00 0.00 175.17 173.69 2kpo s VAL 78 N 10.15 1.61 -0.28 1.11 -7.23 -1.26 -0.90 120.40 123.60 2kpo s VAL 78 Ca 0.78 -2.18 0.00 0.00 -1.81 0.00 0.00 61.98 58.77 2kpo s VAL 78 Cb -0.14 -2.00 0.09 0.00 0.56 0.00 0.00 36.38 34.88 2kpo s VAL 78 CO 0.23 -0.63 0.04 -0.13 -0.31 0.00 0.00 175.10 174.30 2kpo s ARG 79 N -3.67 1.08 -0.39 4.82 0.52 -0.76 -4.97 118.95 115.58 2kpo s ARG 79 Ca 0.21 -1.13 -0.27 0.00 -0.52 0.00 0.00 55.73 54.02 2kpo s ARG 79 Cb 0.00 -2.39 0.02 0.00 0.52 0.00 0.00 34.95 33.10 2kpo s ARG 79 CO 0.05 -0.84 0.98 0.95 0.02 0.00 0.00 175.30 176.46 2kpo s THR 80 N 1.45 4.49 -0.01 0.02 -4.23 -1.26 -0.98 115.64 115.12 2kpo s THR 80 Ca 0.05 1.20 0.04 0.00 -1.18 0.00 0.00 61.69 61.80 2kpo s THR 80 Cb -0.18 -4.41 -0.01 0.00 1.34 0.00 0.00 72.50 69.25 2kpo s THR 80 CO -0.15 -0.65 -0.14 -0.13 -0.54 0.00 0.00 174.62 173.01 2kpo s ARG 81 N 3.70 1.12 -0.22 3.99 1.81 0.36 -5.00 118.95 124.71 2kpo s ARG 81 Ca 0.41 -0.48 -0.10 0.00 -1.72 0.00 0.00 55.73 53.83 2kpo s ARG 81 Cb -0.11 -1.08 -0.05 0.00 -0.45 0.00 0.00 34.95 33.26 2kpo s ARG 81 CO 0.22 0.28 0.14 0.21 -0.68 0.00 0.00 175.30 175.47 2kpo s LYS 82 N -0.28 4.10 -0.08 3.54 2.20 -1.26 -0.67 119.74 127.29 2kpo s LYS 82 Ca 0.05 -0.26 0.04 0.00 -0.36 0.00 0.00 55.97 55.43 2kpo s LYS 82 Cb -0.06 -3.47 -0.01 0.00 -1.51 0.00 0.00 37.83 32.78 2kpo s LYS 82 CO -0.00 0.16 -0.20 0.14 -0.36 0.00 0.00 175.35 175.09 2kpo s VAL 83 N 0.75 2.47 -0.27 4.02 -7.23 0.32 -4.91 120.40 115.55 2kpo s VAL 83 Ca 0.07 -0.91 -0.09 0.00 -1.81 0.00 0.00 61.98 59.25 2kpo s VAL 83 Cb -0.12 -1.95 -0.13 0.00 0.56 0.00 0.00 36.38 34.73 2kpo s VAL 83 CO 0.02 0.56 -0.31 0.35 -0.31 0.00 0.00 175.10 175.41 2kpo n THR 84 N 3.04 1.47 -4.16 5.32 -2.24 -1.26 -4.47 114.28 111.98 2kpo n THR 84 Ca -0.18 -0.43 -0.34 0.00 -2.27 0.00 0.00 64.05 60.83 2kpo n THR 84 Cb 0.52 -1.72 -0.08 0.00 -2.10 0.00 0.00 70.33 66.95 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 -7.13 5.62 0.34 3.42 0.01 -1.26 -5.02 113.70 109.69 2kpo s SER 85 Ca -0.37 0.19 0.09 0.00 1.31 0.00 0.00 55.95 57.17 2kpo s SER 85 Cb 0.13 -1.64 0.80 0.00 0.21 0.00 0.00 66.02 65.52 2kpo s SER 85 CO 0.51 0.33 1.84 -0.65 0.41 0.00 0.00 173.24 175.68 2kpo h PRO 86 N 4.59 0.69 -0.83 12.44 0.11 -1.94 -1.09 132.00 145.97 2kpo h PRO 86 Ca -0.51 -0.04 0.12 0.00 0.11 0.00 0.00 66.00 65.69 2kpo h PRO 86 Cb 1.19 -0.16 -0.06 0.00 0.11 0.00 0.00 31.00 32.09 2kpo h PRO 86 CO 0.59 0.46 0.54 -0.44 -0.21 0.00 0.00 178.00 178.93 2kpo h ASP 87 N 0.71 0.62 0.25 -2.05 3.32 -1.95 -0.76 116.42 116.56 2kpo h ASP 87 Ca 0.49 0.03 -0.01 0.00 0.02 0.00 0.00 57.03 57.56 2kpo h ASP 87 Cb 0.80 -0.10 -0.01 0.00 0.22 0.00 0.00 39.33 40.25 2kpo h ASP 87 CO -0.25 0.34 -0.17 -0.33 -1.72 0.00 0.00 179.24 177.11 2kpo h GLU 88 N 0.66 -0.40 -0.87 3.56 4.39 -1.61 0.70 114.58 121.02 2kpo h GLU 88 Ca 0.40 0.03 0.04 0.00 0.34 0.00 0.00 59.36 60.17 2kpo h GLU 88 Cb 0.63 0.09 -0.05 0.00 -0.10 0.00 0.00 28.75 29.31 2kpo h GLU 88 CO -0.17 -0.26 0.55 0.00 -1.16 0.00 0.00 179.01 177.97 2kpo h ALA 89 N 0.31 1.16 -0.56 3.43 0.00 -1.42 0.15 119.26 122.34 2kpo h ALA 89 Ca -0.02 -0.03 -0.03 0.00 0.00 0.00 0.00 54.91 54.83 2kpo h ALA 89 Cb 0.35 -0.28 -0.03 0.00 0.00 0.00 0.00 17.79 17.83 2kpo h ALA 89 CO 0.02 0.37 0.22 0.87 0.00 0.00 0.00 179.25 180.72 2kpo h LYS 90 N 1.06 0.80 -0.26 0.00 1.57 -0.88 -0.48 116.57 118.39 2kpo h LYS 90 Ca 0.35 -0.12 -0.10 0.00 -1.87 0.00 0.00 60.65 58.91 2kpo h LYS 90 Cb 0.05 -0.14 -0.00 0.00 0.08 0.00 0.00 32.23 32.21 2kpo h LYS 90 CO -0.13 0.67 -0.22 -0.09 -0.57 0.00 0.00 179.45 179.10 2kpo h ARG 91 N 0.79 0.61 -0.78 3.15 2.43 -0.03 -2.32 114.38 118.23 2kpo h ARG 91 Ca 0.19 -0.31 -0.01 0.00 -0.81 0.00 0.00 59.98 59.05 2kpo h ARG 91 Cb 0.17 0.01 -0.04 0.00 -0.42 0.00 0.00 29.97 29.68 2kpo h ARG 91 CO -0.02 0.90 0.47 -1.49 -1.51 0.00 0.00 179.97 178.32 2kpo h TRP 92 N 0.32 1.03 -0.76 2.20 4.06 -0.61 -1.17 115.95 121.03 2kpo h TRP 92 Ca 0.04 -0.00 -0.05 0.00 2.06 0.00 0.00 58.89 60.94 2kpo h TRP 92 Cb 0.77 -0.34 -0.03 0.00 -1.00 0.00 0.00 29.16 28.56 2kpo h TRP 92 CO 0.07 0.69 0.27 0.82 -3.56 0.00 0.00 178.44 176.74 2kpo h ILE 93 N 1.07 1.26 0.53 1.49 2.04 -1.13 -1.07 117.51 121.71 2kpo h ILE 93 Ca 0.28 -0.86 -0.02 0.00 1.00 0.00 0.00 64.86 65.26 2kpo h ILE 93 Cb -0.03 0.39 -0.01 0.00 -0.74 0.00 0.00 36.82 36.42 2kpo h ILE 93 CO -0.05 0.35 -0.35 0.50 0.00 0.00 0.00 178.15 178.60 2kpo h LYS 94 N 1.12 -0.81 0.11 2.37 3.64 -0.81 -1.01 116.57 121.17 2kpo h LYS 94 Ca 0.25 0.06 -0.00 0.00 -1.27 0.00 0.00 60.65 59.68 2kpo h LYS 94 Cb 0.26 0.19 -0.00 0.00 -0.41 0.00 0.00 32.23 32.27 2kpo h LYS 94 CO -0.01 -0.54 -0.06 0.93 -2.27 0.00 0.00 179.45 177.50 2kpo h GLU 95 N -0.84 -0.15 -0.90 1.90 4.39 -1.20 -1.70 114.58 116.08 2kpo h GLU 95 Ca -0.06 0.01 0.15 0.00 0.34 0.00 0.00 59.36 59.80 2kpo h GLU 95 Cb 0.70 0.03 -0.09 0.00 -0.10 0.00 0.00 28.75 29.29 2kpo h GLU 95 CO 0.05 -0.10 0.50 0.35 -1.16 0.00 0.00 179.01 178.65 2kpo h PHE 96 N -0.15 0.88 -0.36 4.33 3.04 -1.20 -0.82 116.94 122.66 2kpo h PHE 96 Ca -0.01 0.03 -0.11 0.00 3.98 0.00 0.00 57.97 61.86 2kpo h PHE 96 Cb 0.12 -0.26 -0.01 0.00 2.56 0.00 0.00 35.95 38.36 2kpo h PHE 96 CO -0.08 0.24 -0.23 1.03 -2.02 0.00 0.00 178.31 177.26 2kpo h SER 97 N 0.71 0.71 0.78 0.41 0.87 -0.84 -3.04 113.55 113.15 2kpo h SER 97 Ca 0.48 -0.25 -0.09 0.00 -1.23 0.00 0.00 61.79 60.70 2kpo h SER 97 Cb 0.66 -0.19 -0.01 0.00 -0.44 0.00 0.00 62.40 62.41 2kpo h SER 97 CO -0.34 0.92 -0.43 -0.33 -0.53 0.00 0.00 176.83 176.11 2kpo h GLU 98 N 0.61 0.00 -0.31 2.24 5.08 -0.26 -3.02 114.58 118.91 2kpo h GLU 98 Ca 0.09 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.42 2kpo h GLU 98 Cb 0.71 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.95 2kpo h GLU 98 CO 0.05 0.43 0.10 0.93 -1.00 0.00 0.00 179.01 179.53 2kpo h GLU 99 N 0.00 0.49 0.00 2.33 5.08 -1.16 -3.46 114.58 117.85 2kpo h GLU 99 Ca -0.00 -0.10 0.00 0.00 -1.00 0.00 0.00 59.36 58.25 2kpo h GLU 99 Cb 0.94 -0.07 0.00 0.00 0.50 0.00 0.00 28.75 30.12 2kpo h GLU 99 CO 0.06 0.52 0.00 0.41 -1.00 0.00 0.00 179.01 179.00 2kpo n GLY 100 N -0.65 1.54 3.24 -3.84 0.00 -1.15 -4.72 105.19 99.63 2kpo n GLY 100 Ca -0.02 0.04 -0.12 0.00 0.00 0.00 0.00 46.02 45.92 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 -0.28 -0.41 -0.02 0.00 -1.26 -4.92 107.32 100.43 2kpo s GLY 101 Ca 0.00 1.25 0.03 0.00 0.00 0.00 0.00 44.72 46.00 2kpo s GLY 101 CO 0.00 1.28 0.16 -0.56 0.00 0.00 0.00 173.10 173.99 2kpo s SER 102 N 0.84 4.22 -0.06 1.64 0.01 -1.26 -4.97 113.70 114.12 2kpo s SER 102 Ca -0.05 -2.41 -0.05 0.00 1.31 0.00 0.00 55.95 54.75 2kpo s SER 102 Cb -0.06 -1.33 -0.02 0.00 0.21 0.00 0.00 66.02 64.82 2kpo s SER 102 CO -0.06 -0.32 -0.10 0.18 0.41 0.00 0.00 173.24 173.35 2kpo n LEU 103 N 3.88 0.66 -4.63 2.44 4.77 -1.26 -4.89 117.00 117.97 2kpo n LEU 103 Ca 0.04 0.20 -0.43 0.00 -0.03 0.00 0.00 56.01 55.79 2kpo n LEU 103 Cb 0.37 -0.60 -0.03 0.00 -2.33 0.00 0.00 43.42 40.84 2kpo n LEU 103 CO 0.24 -0.44 1.60 -1.61 -1.33 0.00 0.00 177.39 175.85 2kpo s GLU 104 N -1.59 3.65 -0.03 3.23 0.41 -1.26 -4.87 118.70 118.24 2kpo s GLU 104 Ca -0.09 2.05 -0.06 0.00 -0.41 0.00 0.00 54.97 56.47 2kpo s GLU 104 Cb 0.01 -4.19 -0.25 0.00 -1.78 0.00 0.00 34.13 27.92 2kpo s GLU 104 CO 0.13 -1.49 3.54 0.72 -0.49 0.00 0.00 175.26 177.67 2kpo n HIS 105 N 9.34 0.09 0.53 1.61 8.25 -1.26 -4.41 115.22 129.37 2kpo n HIS 105 Ca 0.23 -1.51 0.00 0.00 -0.26 0.00 0.00 57.72 56.18 2kpo n HIS 105 Cb 0.44 -1.56 0.09 0.00 1.12 0.00 0.00 29.99 30.07 2kpo n HIS 105 CO 0.00 0.00 0.00 0.72 0.64 0.00 0.00 176.34 177.70 2kpo n HIS 106 N 2.39 0.55 -2.14 4.41 8.25 -1.26 -4.81 115.22 122.61 2kpo n HIS 106 Ca 0.42 -0.31 -0.38 0.00 -0.26 0.00 0.00 57.72 57.19 2kpo n HIS 106 Cb 0.89 -0.25 -0.03 0.00 1.12 0.00 0.00 29.99 31.73 2kpo n HIS 106 CO 0.00 0.00 0.00 1.58 0.64 0.00 0.00 176.34 178.56 2kpo n HIS 107 N 0.14 3.55 -0.02 4.41 -0.00 -1.26 -4.65 115.22 117.39 2kpo n HIS 107 Ca 0.08 -2.26 -0.17 0.00 0.46 0.00 0.00 57.72 55.84 2kpo n HIS 107 Cb 0.54 -2.52 -0.09 0.00 -0.12 0.00 0.00 29.99 27.80 2kpo n HIS 107 CO 0.00 0.00 0.00 0.45 0.46 0.00 0.00 176.34 177.25 2kpo h HIS 108 N 8.16 0.76 0.00 1.57 3.86 -1.99 -3.47 115.15 124.05 2kpo h HIS 108 Ca 0.38 -0.35 0.00 0.00 -1.16 0.00 0.00 60.37 59.24 2kpo h HIS 108 Cb 0.84 -0.11 0.00 0.00 1.06 0.00 0.00 27.41 29.20 2kpo h HIS 108 CO 1.34 1.15 0.00 1.58 0.86 0.00 0.00 177.93 182.86 2kpo n HIS 109 N -4.16 -3.59 -0.53 2.45 -0.00 -1.26 -5.33 115.22 102.80 2kpo n HIS 109 Ca -0.09 0.98 0.00 0.00 -0.00 0.00 0.00 57.72 58.62 2kpo n HIS 109 Cb 0.65 2.48 0.00 0.00 -0.00 0.00 0.00 29.99 33.12 2kpo n HIS 109 CO 0.00 0.00 0.00 1.58 -0.00 0.00 0.00 176.34 177.92