#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 4.37 -0.18 -0.89 1.02 0.58 -5.02 118.68 118.57 2kpo s LEU 2 Ca 0.00 0.71 -0.01 0.00 0.02 0.00 0.00 54.13 54.85 2kpo s LEU 2 Cb 0.00 -2.42 0.05 0.00 0.02 0.00 0.00 46.19 43.84 2kpo s LEU 2 CO 0.00 0.25 -0.04 -0.76 0.02 0.00 0.00 176.35 175.82 2kpo s LEU 3 N -0.48 1.71 0.12 1.79 1.43 -1.26 -0.99 118.68 121.00 2kpo s LEU 3 Ca 0.20 -0.76 0.09 0.00 -1.03 0.00 0.00 54.13 52.63 2kpo s LEU 3 Cb -0.14 -0.91 -0.04 0.00 0.03 0.00 0.00 46.19 45.13 2kpo s LEU 3 CO 0.08 -0.21 -0.21 -0.31 0.23 0.00 0.00 176.35 175.93 2kpo s TYR 4 N 1.63 2.46 -0.10 0.29 1.51 -0.56 -3.00 117.35 119.58 2kpo s TYR 4 Ca -0.01 -0.30 0.02 0.00 -1.01 0.00 0.00 57.07 55.77 2kpo s TYR 4 Cb -0.16 -1.32 0.01 0.00 -0.11 0.00 0.00 41.96 40.38 2kpo s TYR 4 CO -0.07 0.36 -0.14 0.08 -1.11 0.00 0.00 175.55 174.66 2kpo s VAL 5 N -1.10 1.43 -0.24 0.71 1.01 -0.36 -0.57 120.40 121.27 2kpo s VAL 5 Ca 0.16 -0.60 -0.06 0.00 0.00 0.00 0.00 61.98 61.48 2kpo s VAL 5 Cb -0.10 -1.31 -0.02 0.00 0.00 0.00 0.00 36.38 34.94 2kpo s VAL 5 CO 0.09 0.43 0.03 -0.76 0.00 0.00 0.00 175.10 174.88 2kpo s LEU 6 N 0.97 3.26 -0.13 3.92 1.43 1.00 -0.34 118.68 128.80 2kpo s LEU 6 Ca -0.07 -0.26 -0.02 0.00 -1.03 0.00 0.00 54.13 52.74 2kpo s LEU 6 Cb -0.15 -1.86 -0.03 0.00 0.03 0.00 0.00 46.19 44.18 2kpo s LEU 6 CO -0.01 -0.03 -0.05 -0.51 0.23 0.00 0.00 176.35 175.99 2kpo s ILE 7 N 1.54 3.82 -0.29 -0.59 2.07 -0.89 -0.60 121.20 126.26 2kpo s ILE 7 Ca 0.06 -0.40 0.02 0.00 -1.41 0.00 0.00 60.65 58.92 2kpo s ILE 7 Cb -0.15 -2.64 0.08 0.00 0.13 0.00 0.00 42.46 39.89 2kpo s ILE 7 CO 0.01 0.53 -0.00 -0.63 -1.91 0.00 0.00 174.94 172.94 2kpo s ILE 8 N -0.03 1.84 0.11 2.00 1.01 0.83 -0.89 121.20 126.08 2kpo s ILE 8 Ca 0.01 -1.76 -0.25 0.00 0.00 0.00 0.00 60.65 58.65 2kpo s ILE 8 Cb -0.13 -2.21 0.07 0.00 0.01 0.00 0.00 42.46 40.20 2kpo s ILE 8 CO 0.03 -0.37 0.63 -0.55 0.00 0.00 0.00 174.94 174.68 2kpo s SER 9 N 1.18 -0.58 0.02 3.58 0.15 -1.26 -1.99 113.70 114.80 2kpo s SER 9 Ca 0.02 0.15 0.22 0.00 0.70 0.00 0.00 55.95 57.05 2kpo s SER 9 Cb -0.19 0.58 -0.20 0.00 -1.71 0.00 0.00 66.02 64.50 2kpo s SER 9 CO -0.10 -0.88 0.74 -3.20 1.20 0.00 0.00 173.24 171.00 2kpo n ASN 10 N -0.10 0.40 -4.59 5.45 4.05 -1.26 -4.88 115.26 114.32 2kpo n ASN 10 Ca -0.17 -0.17 -0.43 0.00 0.45 0.00 0.00 54.58 54.26 2kpo n ASN 10 Cb 0.63 1.39 -0.04 0.00 1.23 0.00 0.00 39.78 42.99 2kpo n ASN 10 CO 0.00 0.00 0.00 -0.62 -3.05 0.00 0.00 177.26 173.59 2kpo s ASP 11 N -4.25 6.62 0.37 1.20 2.15 -1.26 -4.93 116.67 116.57 2kpo s ASP 11 Ca -0.02 0.42 0.07 0.00 0.43 0.00 0.00 52.55 53.45 2kpo s ASP 11 Cb 0.14 -2.46 0.73 0.00 -0.30 0.00 0.00 42.92 41.02 2kpo s ASP 11 CO 0.87 -0.94 1.93 0.11 -0.17 0.00 0.00 175.17 176.96 2kpo h LYS 12 N 8.71 0.41 -0.30 4.34 1.79 -2.00 -2.55 116.57 126.96 2kpo h LYS 12 Ca -0.23 -0.08 -0.14 0.00 -2.18 0.00 0.00 60.65 58.02 2kpo h LYS 12 Cb 1.08 -0.06 -0.00 0.00 -1.58 0.00 0.00 32.23 31.66 2kpo h LYS 12 CO 1.00 0.44 -0.36 0.87 -1.08 0.00 0.00 179.45 180.33 2kpo h LYS 13 N 0.40 0.78 -1.00 3.15 1.79 -1.99 -2.19 116.57 117.50 2kpo h LYS 13 Ca 0.09 -0.43 0.13 0.00 -2.18 0.00 0.00 60.65 58.26 2kpo h LYS 13 Cb 0.28 0.03 -0.09 0.00 -1.58 0.00 0.00 32.23 30.86 2kpo h LYS 13 CO 0.01 1.06 0.63 1.25 -1.08 0.00 0.00 179.45 181.32 2kpo h LEU 14 N 0.55 0.90 -0.89 2.94 6.46 -1.88 0.99 115.31 124.38 2kpo h LEU 14 Ca 0.04 0.06 -0.06 0.00 -0.12 0.00 0.00 57.88 57.80 2kpo h LEU 14 Cb 0.95 -0.12 -0.03 0.00 -0.73 0.00 0.00 40.66 40.73 2kpo h LEU 14 CO 0.09 0.45 0.18 0.40 -0.62 0.00 0.00 178.44 178.94 2kpo h ILE 15 N 0.95 1.25 0.18 4.05 2.04 -1.26 -1.35 117.51 123.36 2kpo h ILE 15 Ca 0.51 -0.87 -0.01 0.00 1.00 0.00 0.00 64.86 65.49 2kpo h ILE 15 Cb 0.57 0.55 0.00 0.00 -0.74 0.00 0.00 36.82 37.20 2kpo h ILE 15 CO -0.29 0.34 -0.08 -0.33 0.00 0.00 0.00 178.15 177.78 2kpo h GLU 16 N 0.97 -0.23 -0.73 2.37 5.08 -0.27 -0.42 114.58 121.36 2kpo h GLU 16 Ca 0.21 0.02 0.03 0.00 -1.00 0.00 0.00 59.36 58.61 2kpo h GLU 16 Cb 0.30 0.05 -0.04 0.00 0.50 0.00 0.00 28.75 29.57 2kpo h GLU 16 CO -0.00 0.08 0.48 0.93 -1.00 0.00 0.00 179.01 179.50 2kpo h GLU 17 N -0.55 0.89 -0.25 2.33 3.07 -0.95 0.26 114.58 119.37 2kpo h GLU 17 Ca -0.02 -0.05 -0.02 0.00 -0.50 0.00 0.00 59.36 58.77 2kpo h GLU 17 Cb 0.42 -0.20 -0.01 0.00 -0.84 0.00 0.00 28.75 28.12 2kpo h GLU 17 CO 0.04 0.59 0.10 0.00 -1.40 0.00 0.00 179.01 178.33 2kpo h ALA 18 N 1.57 0.33 -0.52 3.43 0.00 -1.20 -3.07 119.26 119.79 2kpo h ALA 18 Ca 0.28 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 55.08 2kpo h ALA 18 Cb 0.01 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 17.68 2kpo h ALA 18 CO -0.08 -0.07 0.34 0.00 0.00 0.00 0.00 179.25 179.44 2kpo h ARG 19 N 0.25 0.69 -0.75 0.00 3.08 -0.12 -2.63 114.38 114.90 2kpo h ARG 19 Ca 0.08 -0.05 0.17 0.00 0.07 0.00 0.00 59.98 60.25 2kpo h ARG 19 Cb 0.19 -0.15 -0.11 0.00 0.08 0.00 0.00 29.97 29.97 2kpo h ARG 19 CO -0.01 0.47 0.17 0.87 -1.07 0.00 0.00 179.97 180.41 2kpo h LYS 20 N 0.71 0.25 -0.20 0.04 1.57 -0.43 0.37 116.57 118.88 2kpo h LYS 20 Ca 0.19 -0.02 -0.03 0.00 -1.87 0.00 0.00 60.65 58.92 2kpo h LYS 20 Cb -0.07 -0.06 -0.01 0.00 0.08 0.00 0.00 32.23 32.18 2kpo h LYS 20 CO -0.04 0.17 -0.01 0.52 -0.57 0.00 0.00 179.45 179.52 2kpo h MET 21 N 0.26 0.35 -0.59 3.15 2.86 -1.44 -2.03 114.93 117.50 2kpo h MET 21 Ca 0.42 -0.12 0.02 0.00 -2.06 0.00 0.00 59.70 57.97 2kpo h MET 21 Cb 0.74 -0.03 -0.04 0.00 0.06 0.00 0.00 31.60 32.33 2kpo h MET 21 CO -0.53 0.57 0.36 0.00 1.06 0.00 0.00 176.91 178.37 2kpo h ALA 22 N 0.78 0.76 -0.58 6.32 0.00 -0.77 -0.72 119.26 125.05 2kpo h ALA 22 Ca 0.05 -0.02 -0.05 0.00 0.00 0.00 0.00 54.91 54.90 2kpo h ALA 22 Cb 0.41 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.99 2kpo h ALA 22 CO 0.01 0.11 0.18 0.93 0.00 0.00 0.00 179.25 180.48 2kpo h GLU 23 N 0.73 0.90 -0.74 0.00 4.39 -0.32 0.90 114.58 120.43 2kpo h GLU 23 Ca 0.23 -0.20 0.01 0.00 0.34 0.00 0.00 59.36 59.74 2kpo h GLU 23 Cb -0.00 -0.13 -0.04 0.00 -0.10 0.00 0.00 28.75 28.48 2kpo h GLU 23 CO -0.09 0.81 0.49 0.87 -1.16 0.00 0.00 179.01 179.93 2kpo h LYS 24 N 0.81 0.98 0.00 2.33 6.56 -1.08 -2.53 116.57 123.64 2kpo h LYS 24 Ca 0.19 -0.06 0.00 0.00 -1.06 0.00 0.00 60.65 59.72 2kpo h LYS 24 Cb 0.29 -0.22 0.00 0.00 -0.57 0.00 0.00 32.23 31.73 2kpo h LYS 24 CO -0.00 0.65 -0.14 0.00 -2.06 0.00 0.00 179.45 177.90 2kpo n ALA 25 N -2.30 2.54 -2.58 3.86 0.00 -0.30 -4.94 120.51 116.79 2kpo n ALA 25 Ca 0.07 -0.13 -0.14 0.00 0.00 0.00 0.00 53.44 53.25 2kpo n ALA 25 Cb 0.02 -1.39 0.01 0.00 0.00 0.00 0.00 19.45 18.09 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 -1.83 -4.30 -4.87 0.00 5.03 0.28 -4.86 115.26 104.71 2kpo n ASN 26 Ca 0.06 -0.13 -0.31 0.00 0.87 0.00 0.00 54.58 55.07 2kpo n ASN 26 Cb 0.38 -3.27 -0.05 0.00 -1.02 0.00 0.00 39.78 35.82 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 -4.16 4.06 -0.63 3.41 1.43 0.54 -3.75 118.68 119.58 2kpo s LEU 27 Ca 0.13 1.04 -0.23 0.00 -1.03 0.00 0.00 54.13 54.04 2kpo s LEU 27 Cb -0.06 -3.84 0.06 0.00 0.03 0.00 0.00 46.19 42.38 2kpo s LEU 27 CO 0.16 -0.19 0.96 -1.61 0.23 0.00 0.00 176.35 175.90 2kpo s GLU 28 N -3.15 3.17 -0.15 1.70 2.02 -1.16 -4.61 118.70 116.53 2kpo s GLU 28 Ca 0.50 -0.65 -0.07 0.00 0.02 0.00 0.00 54.97 54.76 2kpo s GLU 28 Cb -0.11 -4.17 -0.04 0.00 0.10 0.00 0.00 34.13 29.91 2kpo s GLU 28 CO 0.23 -1.72 0.10 -1.17 0.02 0.00 0.00 175.26 172.72 2kpo s LEU 29 N 4.04 4.07 -0.01 1.80 0.20 -1.26 -1.23 118.68 126.30 2kpo s LEU 29 Ca 0.25 0.26 0.08 0.00 0.69 0.00 0.00 54.13 55.40 2kpo s LEU 29 Cb -0.15 -2.01 -0.02 0.00 -0.43 0.00 0.00 46.19 43.57 2kpo s LEU 29 CO 0.13 0.29 -0.24 -0.13 -0.29 0.00 0.00 176.35 176.10 2kpo s ARG 30 N -0.29 2.10 -0.38 1.98 1.81 0.54 -4.94 118.95 119.75 2kpo s ARG 30 Ca 0.10 -0.94 -0.20 0.00 -1.72 0.00 0.00 55.73 52.97 2kpo s ARG 30 Cb -0.12 -2.07 0.01 0.00 -0.45 0.00 0.00 34.95 32.32 2kpo s ARG 30 CO 0.01 0.56 0.59 0.95 -0.68 0.00 0.00 175.30 176.73 2kpo s THR 31 N -0.68 4.92 -0.10 0.02 -4.23 -1.26 -2.09 115.64 112.22 2kpo s THR 31 Ca 0.11 0.31 -0.25 0.00 -1.18 0.00 0.00 61.69 60.67 2kpo s THR 31 Cb -0.10 -4.08 -0.03 0.00 1.34 0.00 0.00 72.50 69.63 2kpo s THR 31 CO 0.00 -0.38 0.80 -0.69 -0.54 0.00 0.00 174.62 173.81 2kpo s VAL 32 N 2.62 4.94 -0.08 2.29 1.01 -0.07 -4.93 120.40 126.19 2kpo s VAL 32 Ca 0.21 1.63 0.06 0.00 0.00 0.00 0.00 61.98 63.88 2kpo s VAL 32 Cb -0.15 -4.13 -0.09 0.00 0.00 0.00 0.00 36.38 32.02 2kpo s VAL 32 CO 0.16 0.14 0.00 0.29 0.00 0.00 0.00 175.10 175.69 2kpo n LYS 33 N 4.45 2.26 -4.17 2.72 5.02 -1.26 -4.51 118.16 122.67 2kpo n LYS 33 Ca 0.02 0.01 -0.12 0.00 -2.02 0.00 0.00 58.31 56.20 2kpo n LYS 33 Cb 0.50 -1.19 -0.09 0.00 -0.02 0.00 0.00 35.03 34.23 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 -2.18 0.00 0.37 -0.18 -4.23 -1.26 -4.99 115.64 103.16 2kpo s THR 34 Ca -0.06 -1.88 0.07 0.00 -1.18 0.00 0.00 61.69 58.64 2kpo s THR 34 Cb 0.02 -2.46 0.30 0.00 1.34 0.00 0.00 72.50 71.71 2kpo s THR 34 CO 0.29 0.00 1.95 -0.08 -0.54 0.00 0.00 174.62 176.25 2kpo h GLU 35 N 2.49 0.70 -0.49 3.99 4.57 -1.99 -1.25 114.58 122.60 2kpo h GLU 35 Ca -0.33 -0.04 -0.03 0.00 -1.18 0.00 0.00 59.36 57.78 2kpo h GLU 35 Cb 1.25 -0.16 -0.02 0.00 -0.16 0.00 0.00 28.75 29.66 2kpo h GLU 35 CO 0.48 0.47 0.19 0.22 -1.18 0.00 0.00 179.01 179.18 2kpo h ASP 36 N 0.72 0.68 0.07 1.04 1.82 -1.98 -1.23 116.42 117.54 2kpo h ASP 36 Ca 0.32 -0.17 0.01 0.00 -0.39 0.00 0.00 57.03 56.79 2kpo h ASP 36 Cb 0.32 -0.18 -0.01 0.00 0.68 0.00 0.00 39.33 40.14 2kpo h ASP 36 CO -0.11 0.67 -0.09 -0.33 -1.61 0.00 0.00 179.24 177.77 2kpo h GLU 37 N 0.65 -0.18 -0.15 0.28 4.39 -1.71 0.70 114.58 118.56 2kpo h GLU 37 Ca 0.16 0.01 0.05 0.00 0.34 0.00 0.00 59.36 59.92 2kpo h GLU 37 Cb 0.21 0.04 -0.06 0.00 -0.10 0.00 0.00 28.75 28.84 2kpo h GLU 37 CO -0.01 -0.12 -0.21 1.25 -1.16 0.00 0.00 179.01 178.75 2kpo h LEU 38 N -0.19 -0.66 -0.63 1.33 7.12 -1.20 -1.04 115.31 120.03 2kpo h LEU 38 Ca 0.01 0.11 0.06 0.00 0.13 0.00 0.00 57.88 58.20 2kpo h LEU 38 Cb 0.19 0.30 -0.06 0.00 -0.53 0.00 0.00 40.66 40.57 2kpo h LEU 38 CO -0.04 -0.26 0.33 0.50 -0.13 0.00 0.00 178.44 178.84 2kpo h LYS 39 N -0.26 0.59 -0.36 1.25 3.64 -1.05 -2.71 116.57 117.66 2kpo h LYS 39 Ca 0.11 -0.04 0.02 0.00 -1.27 0.00 0.00 60.65 59.47 2kpo h LYS 39 Cb 0.42 -0.13 -0.03 0.00 -0.41 0.00 0.00 32.23 32.08 2kpo h LYS 39 CO -0.30 0.39 0.19 -0.22 -2.27 0.00 0.00 179.45 177.24 2kpo h LYS 40 N 0.61 0.38 -0.63 1.90 3.64 0.15 0.90 116.57 123.51 2kpo h LYS 40 Ca 0.29 -0.02 -0.07 0.00 -1.27 0.00 0.00 60.65 59.57 2kpo h LYS 40 Cb 0.22 -0.08 -0.02 0.00 -0.41 0.00 0.00 32.23 31.93 2kpo h LYS 40 CO -0.20 0.25 0.11 1.88 -2.27 0.00 0.00 179.45 179.22 2kpo h TYR 41 N 0.39 1.11 -0.38 1.91 0.05 -1.18 -2.05 116.97 116.82 2kpo h TYR 41 Ca 0.15 -0.15 -0.00 0.00 0.05 0.00 0.00 58.73 58.78 2kpo h TYR 41 Cb 0.04 -0.30 -0.02 0.00 1.01 0.00 0.00 36.73 37.46 2kpo h TYR 41 CO -0.09 0.94 0.23 -0.07 -1.05 0.00 0.00 178.16 178.11 2kpo h LEU 42 N 0.95 0.45 -1.28 3.88 3.38 -1.05 0.23 115.31 121.88 2kpo h LEU 42 Ca 0.19 -0.05 0.11 0.00 0.09 0.00 0.00 57.88 58.21 2kpo h LEU 42 Cb 0.42 -0.11 -0.06 0.00 0.09 0.00 0.00 40.66 41.00 2kpo h LEU 42 CO 0.01 0.38 0.55 -0.33 0.09 0.00 0.00 178.44 179.14 2kpo h GLU 43 N 0.49 0.76 -0.29 1.13 5.08 -0.67 -0.71 114.58 120.38 2kpo h GLU 43 Ca 0.14 -0.05 -0.17 0.00 -1.00 0.00 0.00 59.36 58.28 2kpo h GLU 43 Cb 0.01 -0.17 -0.00 0.00 0.50 0.00 0.00 28.75 29.08 2kpo h GLU 43 CO -0.03 0.50 -0.49 1.49 -1.00 0.00 0.00 179.01 179.48 2kpo h GLU 44 N 0.78 0.85 0.00 2.33 4.81 -0.72 -3.09 114.58 119.55 2kpo h GLU 44 Ca 0.40 -0.52 -0.01 0.00 -0.13 0.00 0.00 59.36 59.10 2kpo h GLU 44 Cb 0.49 0.06 -0.00 0.00 0.63 0.00 0.00 28.75 29.92 2kpo h GLU 44 CO -0.17 1.16 -0.02 0.74 -0.73 0.00 0.00 179.01 179.99 2kpo h PHE 45 N 0.62 0.00 0.00 0.92 0.05 0.66 -1.34 116.94 117.86 2kpo h PHE 45 Ca 0.02 0.00 0.00 0.00 3.82 0.00 0.00 57.97 61.81 2kpo h PHE 45 Cb 1.10 0.00 0.00 0.00 2.00 0.00 0.00 35.95 39.05 2kpo h PHE 45 CO 0.07 0.02 0.00 0.00 -0.18 0.00 0.00 178.31 178.23 2kpo h ARG 46 N 0.00 0.00 0.00 1.51 2.47 -1.09 -2.17 114.38 115.10 2kpo h ARG 46 Ca -0.00 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.72 2kpo h ARG 46 Cb 0.22 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.54 2kpo h ARG 46 CO 0.00 0.00 0.00 1.63 0.56 0.00 0.00 179.97 182.16 2kpo n LYS 47 N -2.67 0.00 -0.73 0.04 5.02 -0.50 -3.91 118.16 115.41 2kpo n LYS 47 Ca -0.02 0.45 -0.14 0.00 -2.02 0.00 0.00 58.31 56.58 2kpo n LYS 47 Cb 0.06 -1.32 0.08 0.00 -0.02 0.00 0.00 35.03 33.83 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 -1.86 1.72 0.12 1.97 4.71 -1.17 -4.51 120.64 121.64 2kpo n GLU 48 Ca 0.00 -1.61 0.08 0.00 -0.01 0.00 0.00 57.16 55.61 2kpo n GLU 48 Cb 0.00 -1.63 0.42 0.00 -1.01 0.00 0.00 31.44 29.21 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 -0.18 0.40 -0.12 1.62 3.41 -0.82 -2.21 113.62 115.71 2kpo n SER 49 Ca 0.32 0.66 -0.08 0.00 -0.26 0.00 0.00 58.87 59.51 2kpo n SER 49 Cb 0.96 -0.70 0.00 0.00 -0.26 0.00 0.00 64.21 64.21 2kpo n SER 49 CO 0.00 0.00 0.00 1.56 -0.16 0.00 0.00 175.04 176.44 2kpo h GLN 50 N 0.00 0.47 -0.22 4.33 1.08 -1.88 -3.34 115.11 115.55 2kpo h GLN 50 Ca 0.00 -0.03 -0.21 0.00 -1.45 0.00 0.00 58.65 56.96 2kpo h GLN 50 Cb 0.10 -0.11 -0.32 0.00 -0.05 0.00 0.00 27.48 27.11 2kpo h GLN 50 CO 0.00 0.31 -0.92 0.09 -0.95 0.00 0.00 178.83 177.37 2kpo n ASN 51 N -4.85 1.87 -4.71 1.46 3.02 -0.94 -5.09 115.26 106.03 2kpo n ASN 51 Ca 0.01 -2.66 -0.32 0.00 -0.03 0.00 0.00 54.58 51.58 2kpo n ASN 51 Cb 0.04 -0.40 -0.08 0.00 -0.61 0.00 0.00 39.78 38.73 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 -2.36 4.25 -0.04 2.41 2.07 -1.15 -0.31 121.20 126.08 2kpo s ILE 52 Ca 0.35 -0.64 0.01 0.00 -1.41 0.00 0.00 60.65 58.97 2kpo s ILE 52 Cb 0.37 -2.93 0.02 0.00 0.13 0.00 0.00 42.46 40.05 2kpo s ILE 52 CO -0.08 0.32 -0.04 -0.54 -1.91 0.00 0.00 174.94 172.68 2kpo s LYS 53 N -1.75 0.81 -0.06 3.50 1.02 -0.16 -4.81 119.74 118.29 2kpo s LYS 53 Ca 0.22 -0.09 0.03 0.00 0.02 0.00 0.00 55.97 56.14 2kpo s LYS 53 Cb -0.12 -0.83 -0.02 0.00 -0.52 0.00 0.00 37.83 36.34 2kpo s LYS 53 CO 0.13 -0.09 -0.14 0.08 -0.92 0.00 0.00 175.35 174.41 2kpo s VAL 54 N 0.95 3.04 -0.18 3.17 1.01 -0.94 -1.49 120.40 125.95 2kpo s VAL 54 Ca -0.11 -0.72 -0.02 0.00 0.00 0.00 0.00 61.98 61.13 2kpo s VAL 54 Cb -0.14 -2.20 -0.01 0.00 0.00 0.00 0.00 36.38 34.03 2kpo s VAL 54 CO -0.00 0.58 -0.08 -0.22 0.00 0.00 0.00 175.10 175.38 2kpo s LEU 55 N -0.57 2.79 -0.16 3.92 2.96 0.26 0.05 118.68 127.93 2kpo s LEU 55 Ca 0.08 -0.38 -0.01 0.00 -0.22 0.00 0.00 54.13 53.60 2kpo s LEU 55 Cb -0.11 -1.68 -0.01 0.00 0.50 0.00 0.00 46.19 44.89 2kpo s LEU 55 CO 0.01 0.05 -0.10 -0.63 -1.32 0.00 0.00 176.35 174.36 2kpo s ILE 56 N 1.04 3.16 -0.26 6.68 1.01 -0.01 -0.00 121.20 132.82 2kpo s ILE 56 Ca -0.00 -0.60 -0.04 0.00 0.00 0.00 0.00 60.65 60.00 2kpo s ILE 56 Cb -0.15 -2.36 0.01 0.00 0.01 0.00 0.00 42.46 39.97 2kpo s ILE 56 CO -0.01 0.50 0.01 -0.76 0.00 0.00 0.00 174.94 174.67 2kpo s LEU 57 N 0.67 3.44 0.02 2.97 2.01 0.23 -0.34 118.68 127.68 2kpo s LEU 57 Ca -0.05 -0.72 0.06 0.00 0.01 0.00 0.00 54.13 53.43 2kpo s LEU 57 Cb -0.15 -1.77 -0.03 0.00 0.01 0.00 0.00 46.19 44.25 2kpo s LEU 57 CO 0.02 -0.14 -0.18 0.68 1.01 0.00 0.00 176.35 177.75 2kpo s VAL 58 N 1.43 2.80 0.10 -1.59 -7.23 0.45 -0.12 120.40 116.23 2kpo s VAL 58 Ca 0.02 -1.09 0.01 0.00 -1.81 0.00 0.00 61.98 59.11 2kpo s VAL 58 Cb -0.17 -2.15 -0.25 0.00 0.56 0.00 0.00 36.38 34.38 2kpo s VAL 58 CO -0.01 0.40 1.21 -1.28 -0.31 0.00 0.00 175.10 175.11 2kpo h SER 59 N 4.75 0.23 -3.14 4.85 0.87 -1.52 0.23 113.55 119.82 2kpo h SER 59 Ca -0.47 -0.24 -0.57 0.00 -1.23 0.00 0.00 61.79 59.28 2kpo h SER 59 Cb 1.15 -0.07 -0.17 0.00 -0.44 0.00 0.00 62.40 62.87 2kpo h SER 59 CO 0.48 1.19 -0.78 0.20 -0.53 0.00 0.00 176.83 177.39 2kpo s ASN 60 N -6.95 3.06 0.40 6.23 0.01 -1.26 -4.67 114.94 111.76 2kpo s ASN 60 Ca -0.02 -0.92 0.10 0.00 -0.71 0.00 0.00 52.86 51.32 2kpo s ASN 60 Cb 0.08 -0.21 0.85 0.00 0.41 0.00 0.00 41.25 42.38 2kpo s ASN 60 CO 0.85 0.01 1.96 0.44 -1.51 0.00 0.00 177.10 178.85 2kpo h ASP 61 N 2.96 0.24 0.05 -1.22 5.19 -1.99 -1.33 116.42 120.31 2kpo h ASP 61 Ca -0.42 -0.04 -0.00 0.00 -0.62 0.00 0.00 57.03 55.95 2kpo h ASP 61 Cb 1.22 -0.06 0.00 0.00 0.18 0.00 0.00 39.33 40.67 2kpo h ASP 61 CO 0.53 0.33 -0.02 -0.08 -3.12 0.00 0.00 179.24 176.88 2kpo h GLU 62 N 0.25 -0.06 -0.95 3.56 4.81 -1.99 -1.21 114.58 118.98 2kpo h GLU 62 Ca 0.06 0.00 0.14 0.00 -0.13 0.00 0.00 59.36 59.43 2kpo h GLU 62 Cb 0.27 0.01 -0.09 0.00 0.63 0.00 0.00 28.75 29.57 2kpo h GLU 62 CO 0.01 0.10 0.57 0.93 -0.73 0.00 0.00 179.01 179.89 2kpo h GLU 63 N -0.22 0.81 0.40 1.92 4.39 -1.88 -0.11 114.58 119.89 2kpo h GLU 63 Ca -0.01 -0.05 -0.01 0.00 0.34 0.00 0.00 59.36 59.64 2kpo h GLU 63 Cb 0.19 -0.18 -0.02 0.00 -0.10 0.00 0.00 28.75 28.64 2kpo h GLU 63 CO 0.01 0.53 -0.39 1.25 -1.16 0.00 0.00 179.01 179.25 2kpo h LEU 64 N 0.83 -1.06 -0.17 1.33 5.85 -0.90 -2.22 115.31 118.97 2kpo h LEU 64 Ca 0.50 0.09 -0.01 0.00 0.84 0.00 0.00 57.88 59.30 2kpo h LEU 64 Cb 0.63 0.36 -0.01 0.00 0.37 0.00 0.00 40.66 42.01 2kpo h LEU 64 CO -0.32 -0.54 0.05 -0.78 -0.34 0.00 0.00 178.44 176.51 2kpo h ASP 65 N -0.81 0.25 -0.59 1.25 1.82 -0.66 -2.83 116.42 114.85 2kpo h ASP 65 Ca -0.03 -0.21 0.07 0.00 -0.39 0.00 0.00 57.03 56.47 2kpo h ASP 65 Cb 0.72 -0.07 -0.06 0.00 0.68 0.00 0.00 39.33 40.61 2kpo h ASP 65 CO -0.06 0.39 0.28 0.11 -1.61 0.00 0.00 179.24 178.35 2kpo h LYS 66 N 0.10 0.50 0.15 0.28 1.79 -1.05 -0.36 116.57 117.98 2kpo h LYS 66 Ca 0.05 -0.03 0.01 0.00 -2.18 0.00 0.00 60.65 58.50 2kpo h LYS 66 Cb 0.23 -0.11 -0.02 0.00 -1.58 0.00 0.00 32.23 30.75 2kpo h LYS 66 CO -0.00 0.33 -0.20 0.00 -1.08 0.00 0.00 179.45 178.50 2kpo h ALA 67 N 1.35 -0.36 -0.13 3.86 0.00 -1.32 -2.45 119.26 120.21 2kpo h ALA 67 Ca 0.28 -0.04 -0.05 0.00 0.00 0.00 0.00 54.91 55.09 2kpo h ALA 67 Cb 0.25 0.29 -0.01 0.00 0.00 0.00 0.00 17.79 18.32 2kpo h ALA 67 CO -0.22 -0.74 -0.16 1.57 0.00 0.00 0.00 179.25 179.70 2kpo h LYS 68 N -0.40 0.21 -0.29 0.00 2.10 -1.21 -2.48 116.57 114.50 2kpo h LYS 68 Ca 0.01 -0.05 -0.01 0.00 -2.00 0.00 0.00 60.65 58.60 2kpo h LYS 68 Cb 0.40 -0.03 -0.01 0.00 -0.90 0.00 0.00 32.23 31.69 2kpo h LYS 68 CO -0.08 0.37 0.13 0.93 -2.00 0.00 0.00 179.45 178.81 2kpo h GLU 69 N 0.20 0.43 -0.43 0.07 4.39 -0.77 -0.43 114.58 118.04 2kpo h GLU 69 Ca 0.04 -0.07 -0.01 0.00 0.34 0.00 0.00 59.36 59.66 2kpo h GLU 69 Cb 0.40 -0.07 -0.02 0.00 -0.10 0.00 0.00 28.75 28.96 2kpo h GLU 69 CO 0.03 0.43 0.23 -0.07 -1.16 0.00 0.00 179.01 178.47 2kpo h LEU 70 N 0.33 0.54 -0.21 1.33 3.38 -1.25 -2.81 115.31 116.61 2kpo h LEU 70 Ca 0.10 -0.09 -0.01 0.00 0.09 0.00 0.00 57.88 57.97 2kpo h LEU 70 Cb 0.15 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 40.75 2kpo h LEU 70 CO -0.01 0.47 0.11 0.00 0.09 0.00 0.00 178.44 179.10 2kpo h ALA 71 N 1.09 0.28 -0.29 1.53 0.00 -1.30 -2.57 119.26 118.00 2kpo h ALA 71 Ca 0.15 -0.08 0.05 0.00 0.00 0.00 0.00 54.91 55.03 2kpo h ALA 71 Cb 0.06 -0.09 -0.05 0.00 0.00 0.00 0.00 17.79 17.71 2kpo h ALA 71 CO -0.02 -0.17 -0.00 1.96 0.00 0.00 0.00 179.25 181.02 2kpo h GLN 72 N 0.22 0.08 -0.44 0.00 4.20 -1.05 1.00 115.11 119.12 2kpo h GLN 72 Ca 0.07 -0.00 -0.03 0.00 0.06 0.00 0.00 58.65 58.75 2kpo h GLN 72 Cb 0.11 -0.02 -0.02 0.00 0.30 0.00 0.00 27.48 27.85 2kpo h GLN 72 CO -0.01 0.05 0.14 0.87 -0.67 0.00 0.00 178.83 179.21 2kpo h LYS 73 N 0.08 0.64 -0.68 1.46 1.57 -1.43 -2.32 116.57 115.90 2kpo h LYS 73 Ca 0.14 -0.10 0.00 0.00 -1.87 0.00 0.00 60.65 58.82 2kpo h LYS 73 Cb 0.18 -0.11 0.00 0.00 0.08 0.00 0.00 32.23 32.38 2kpo h LYS 73 CO -0.23 0.56 0.00 -1.33 -0.57 0.00 0.00 179.45 177.88 2kpo n MET 74 N -4.34 2.94 -3.62 3.15 2.81 -0.97 -4.97 117.12 112.12 2kpo n MET 74 Ca 0.03 -2.58 -0.23 0.00 -1.81 0.00 0.00 57.70 53.11 2kpo n MET 74 Cb 0.18 -1.65 0.07 0.00 -0.71 0.00 0.00 33.22 31.11 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 1.38 -7.03 -4.51 0.03 1.02 0.17 -5.00 120.64 106.71 2kpo n GLU 75 Ca 0.24 0.78 -0.34 0.00 -0.02 0.00 0.00 57.16 57.82 2kpo n GLU 75 Cb 0.68 -5.76 -0.12 0.00 -0.02 0.00 0.00 31.44 26.21 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 -3.36 3.72 -0.70 -3.67 1.01 -0.21 -5.03 121.20 112.96 2kpo s ILE 76 Ca 0.41 -0.43 -0.27 0.00 0.00 0.00 0.00 60.65 60.36 2kpo s ILE 76 Cb -0.19 -2.60 0.03 0.00 0.01 0.00 0.00 42.46 39.72 2kpo s ILE 76 CO 0.75 0.52 1.27 -1.81 0.00 0.00 0.00 174.94 175.67 2kpo s ASP 77 N 0.09 6.21 0.03 3.58 1.11 -1.26 -4.51 116.67 121.92 2kpo s ASP 77 Ca -0.02 -0.32 0.09 0.00 0.18 0.00 0.00 52.55 52.48 2kpo s ASP 77 Cb -0.14 -2.56 -0.03 0.00 1.07 0.00 0.00 42.92 41.27 2kpo s ASP 77 CO 0.03 -1.77 -0.25 0.68 1.18 0.00 0.00 175.17 175.04 2kpo s VAL 78 N 5.60 2.05 -0.69 -1.27 -7.23 -1.26 -2.23 120.40 115.38 2kpo s VAL 78 Ca 0.37 -1.30 -0.11 0.00 -1.81 0.00 0.00 61.98 59.14 2kpo s VAL 78 Cb -0.08 -1.74 0.18 0.00 0.56 0.00 0.00 36.38 35.30 2kpo s VAL 78 CO 0.17 0.39 0.59 -0.13 -0.31 0.00 0.00 175.10 175.82 2kpo s ARG 79 N -1.08 3.10 -0.29 4.82 0.52 0.11 -4.95 118.95 121.17 2kpo s ARG 79 Ca 0.11 -2.30 -0.29 0.00 -0.52 0.00 0.00 55.73 52.73 2kpo s ARG 79 Cb -0.10 -4.16 0.01 0.00 0.52 0.00 0.00 34.95 31.22 2kpo s ARG 79 CO 0.01 -1.25 1.12 0.95 0.02 0.00 0.00 175.30 176.16 2kpo s THR 80 N 0.44 4.46 0.05 0.02 -4.23 -1.26 -0.82 115.64 114.29 2kpo s THR 80 Ca 0.14 1.70 0.06 0.00 -1.18 0.00 0.00 61.69 62.41 2kpo s THR 80 Cb -0.17 -4.32 -0.02 0.00 1.34 0.00 0.00 72.50 69.32 2kpo s THR 80 CO -0.05 -0.40 -0.17 -0.13 -0.54 0.00 0.00 174.62 173.32 2kpo s ARG 81 N 3.65 1.12 -0.19 3.99 1.81 0.54 -4.98 118.95 124.89 2kpo s ARG 81 Ca 0.48 -0.89 -0.06 0.00 -1.72 0.00 0.00 55.73 53.54 2kpo s ARG 81 Cb -0.14 -1.21 -0.03 0.00 -0.45 0.00 0.00 34.95 33.12 2kpo s ARG 81 CO 0.15 0.30 0.02 0.21 -0.68 0.00 0.00 175.30 175.30 2kpo s LYS 82 N -1.29 3.73 -0.03 3.54 2.20 -1.26 -0.41 119.74 126.22 2kpo s LYS 82 Ca 0.04 -0.47 -0.02 0.00 -0.36 0.00 0.00 55.97 55.17 2kpo s LYS 82 Cb -0.09 -3.12 0.02 0.00 -1.51 0.00 0.00 37.83 33.13 2kpo s LYS 82 CO 0.02 0.10 0.07 0.14 -0.36 0.00 0.00 175.35 175.32 2kpo s VAL 83 N 0.80 -0.02 -0.10 4.02 -7.23 0.82 -4.91 120.40 113.78 2kpo s VAL 83 Ca 0.01 0.08 0.12 0.00 -1.81 0.00 0.00 61.98 60.38 2kpo s VAL 83 Cb -0.14 -0.12 -0.17 0.00 0.56 0.00 0.00 36.38 36.51 2kpo s VAL 83 CO 0.02 0.03 0.11 0.35 -0.31 0.00 0.00 175.10 175.30 2kpo n THR 84 N 3.51 0.65 -3.85 5.32 -2.24 -1.26 -3.96 114.28 112.45 2kpo n THR 84 Ca -0.18 -0.48 -0.37 0.00 -2.27 0.00 0.00 64.05 60.75 2kpo n THR 84 Cb 0.56 -0.45 -0.06 0.00 -2.10 0.00 0.00 70.33 68.28 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 -4.30 6.37 0.22 3.42 0.01 -1.26 -5.02 113.70 113.13 2kpo s SER 85 Ca -0.06 0.44 -0.09 0.00 1.31 0.00 0.00 55.95 57.55 2kpo s SER 85 Cb 0.05 -2.08 0.22 0.00 0.21 0.00 0.00 66.02 64.42 2kpo s SER 85 CO 0.53 0.37 1.86 1.55 0.41 0.00 0.00 173.24 177.96 2kpo h PRO 86 N 5.25 0.90 -0.85 12.44 0.13 -1.94 -2.45 132.00 145.47 2kpo h PRO 86 Ca -0.53 -0.05 0.11 0.00 -0.87 0.00 0.00 66.00 64.66 2kpo h PRO 86 Cb 1.22 -0.20 -0.06 0.00 0.13 0.00 0.00 31.00 32.08 2kpo h PRO 86 CO 0.61 0.59 0.55 -0.44 -0.23 0.00 0.00 178.00 179.08 2kpo h ASP 87 N 0.92 0.70 0.23 1.44 3.45 -1.96 -0.12 116.42 121.09 2kpo h ASP 87 Ca 0.30 0.02 -0.01 0.00 0.43 0.00 0.00 57.03 57.78 2kpo h ASP 87 Cb 0.03 -0.12 0.00 0.00 -0.56 0.00 0.00 39.33 38.68 2kpo h ASP 87 CO -0.12 0.40 -0.11 -0.33 -1.57 0.00 0.00 179.24 177.51 2kpo h GLU 88 N 0.77 -0.30 -1.01 3.56 4.39 -1.86 -1.89 114.58 118.24 2kpo h GLU 88 Ca 0.40 0.02 0.04 0.00 0.34 0.00 0.00 59.36 60.16 2kpo h GLU 88 Cb 0.50 0.07 -0.06 0.00 -0.10 0.00 0.00 28.75 29.16 2kpo h GLU 88 CO -0.17 -0.17 0.66 0.00 -1.16 0.00 0.00 179.01 178.17 2kpo h ALA 89 N 0.42 1.36 -0.93 3.43 0.00 -1.35 -1.92 119.26 120.27 2kpo h ALA 89 Ca -0.03 -0.04 0.08 0.00 0.00 0.00 0.00 54.91 54.91 2kpo h ALA 89 Cb 0.26 -0.35 -0.06 0.00 0.00 0.00 0.00 17.79 17.64 2kpo h ALA 89 CO 0.05 0.53 0.60 0.87 0.00 0.00 0.00 179.25 181.31 2kpo h LYS 90 N 1.25 1.00 0.18 0.00 1.57 -0.77 -1.21 116.57 118.59 2kpo h LYS 90 Ca 0.41 -0.06 -0.01 0.00 -1.87 0.00 0.00 60.65 59.12 2kpo h LYS 90 Cb 0.04 -0.22 0.00 0.00 0.08 0.00 0.00 32.23 32.13 2kpo h LYS 90 CO -0.14 0.66 -0.09 -0.09 -0.57 0.00 0.00 179.45 179.23 2kpo h ARG 91 N 1.03 -0.23 -0.68 3.15 2.43 -0.56 -1.27 114.38 118.25 2kpo h ARG 91 Ca 0.42 0.02 0.06 0.00 -0.81 0.00 0.00 59.98 59.66 2kpo h ARG 91 Cb 0.27 0.05 -0.05 0.00 -0.42 0.00 0.00 29.97 29.82 2kpo h ARG 91 CO -0.17 -0.02 0.39 -1.49 -1.51 0.00 0.00 179.97 177.17 2kpo h TRP 92 N -0.40 0.72 -0.67 2.20 4.06 -1.05 0.41 115.95 121.21 2kpo h TRP 92 Ca -0.02 0.02 -0.08 0.00 2.06 0.00 0.00 58.89 60.87 2kpo h TRP 92 Cb 0.31 -0.22 -0.03 0.00 -1.00 0.00 0.00 29.16 28.23 2kpo h TRP 92 CO -0.02 0.35 0.11 0.82 -3.56 0.00 0.00 178.44 176.14 2kpo h ILE 93 N 0.72 1.26 0.32 1.49 2.04 -1.26 -1.01 117.51 121.07 2kpo h ILE 93 Ca 0.30 -1.04 0.00 0.00 1.00 0.00 0.00 64.86 65.12 2kpo h ILE 93 Cb 0.17 0.63 -0.03 0.00 -0.74 0.00 0.00 36.82 36.86 2kpo h ILE 93 CO -0.17 0.39 -0.39 0.50 0.00 0.00 0.00 178.15 178.48 2kpo h LYS 94 N 1.04 -0.73 -0.59 2.37 3.64 -0.07 -0.60 116.57 121.63 2kpo h LYS 94 Ca 0.20 0.05 -0.09 0.00 -1.27 0.00 0.00 60.65 59.54 2kpo h LYS 94 Cb 0.44 0.16 -0.02 0.00 -0.41 0.00 0.00 32.23 32.41 2kpo h LYS 94 CO 0.01 -0.48 0.01 0.93 -2.27 0.00 0.00 179.45 177.65 2kpo h GLU 95 N -0.75 1.02 -0.14 1.90 5.08 -0.93 -0.17 114.58 120.60 2kpo h GLU 95 Ca -0.02 -0.31 -0.04 0.00 -1.00 0.00 0.00 59.36 57.99 2kpo h GLU 95 Cb 0.70 -0.10 -0.01 0.00 0.50 0.00 0.00 28.75 29.84 2kpo h GLU 95 CO -0.11 0.99 -0.10 0.35 -1.00 0.00 0.00 179.01 179.15 2kpo h PHE 96 N 0.94 0.21 0.12 4.33 3.04 -1.13 -3.10 116.94 121.36 2kpo h PHE 96 Ca 0.17 -0.02 -0.19 0.00 3.98 0.00 0.00 57.97 61.91 2kpo h PHE 96 Cb 0.53 -0.06 0.01 0.00 2.56 0.00 0.00 35.95 38.99 2kpo h PHE 96 CO 0.04 0.31 -0.88 1.03 -2.02 0.00 0.00 178.31 176.79 2kpo h SER 97 N 0.20 0.40 -0.79 0.41 0.87 -0.51 -3.36 113.55 110.77 2kpo h SER 97 Ca 0.04 -0.93 0.09 0.00 -1.23 0.00 0.00 61.79 59.77 2kpo h SER 97 Cb 0.31 -0.13 -0.05 0.00 -0.44 0.00 0.00 62.40 62.08 2kpo h SER 97 CO 0.02 1.41 0.52 -0.33 -0.53 0.00 0.00 176.83 177.91 2kpo h GLU 98 N -0.42 0.72 0.00 2.24 5.08 -1.01 0.68 114.58 121.87 2kpo h GLU 98 Ca -0.17 -0.04 -0.04 0.00 -1.00 0.00 0.00 59.36 58.11 2kpo h GLU 98 Cb 1.61 -0.16 -0.01 0.00 0.50 0.00 0.00 28.75 30.69 2kpo h GLU 98 CO 0.11 0.48 -0.19 1.05 -1.00 0.00 0.00 179.01 179.46 2kpo h GLU 99 N 0.74 0.00 -2.94 2.33 4.11 -1.70 -3.47 114.58 113.66 2kpo h GLU 99 Ca 0.36 0.00 -0.31 0.00 0.07 0.00 0.00 59.36 59.48 2kpo h GLU 99 Cb 0.42 0.00 0.02 0.00 0.50 0.00 0.00 28.75 29.69 2kpo h GLU 99 CO -0.14 0.19 -0.44 0.41 0.07 0.00 0.00 179.01 179.10 2kpo n GLY 100 N -0.56 -0.25 4.28 1.06 0.00 0.23 -3.44 105.19 106.51 2kpo n GLY 100 Ca -0.02 -0.15 0.00 0.00 0.00 0.00 0.00 46.02 45.85 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 -1.20 1.70 3.17 -0.02 0.00 -1.26 -4.67 105.19 102.91 2kpo n GLY 101 Ca -0.13 -0.11 -0.10 0.00 0.00 0.00 0.00 46.02 45.68 2kpo n GLY 101 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2kpo s SER 102 N 0.00 0.26 0.22 1.61 0.01 -1.22 -5.07 113.70 109.51 2kpo s SER 102 Ca 0.00 -1.27 -0.08 0.00 1.31 0.00 0.00 55.95 55.92 2kpo s SER 102 Cb 0.00 0.32 0.31 0.00 0.21 0.00 0.00 66.02 66.86 2kpo s SER 102 CO 0.00 -0.76 1.78 -0.07 0.41 0.00 0.00 173.24 174.59 2kpo h LEU 103 N 2.79 0.43 -5.08 2.44 3.38 -1.90 -2.62 115.31 114.74 2kpo h LEU 103 Ca -0.35 0.06 -0.68 0.00 0.09 0.00 0.00 57.88 57.00 2kpo h LEU 103 Cb 1.22 -0.01 0.01 0.00 0.09 0.00 0.00 40.66 41.97 2kpo h LEU 103 CO 0.57 0.25 3.69 -1.84 0.09 0.00 0.00 178.44 181.20 2kpo n GLU 104 N -4.88 3.82 -2.08 1.13 0.28 -1.26 -4.93 120.64 112.71 2kpo n GLU 104 Ca 0.10 -2.35 -0.41 0.00 -0.16 0.00 0.00 57.16 54.34 2kpo n GLU 104 Cb 0.26 -2.78 -0.03 0.00 1.43 0.00 0.00 31.44 30.32 2kpo n GLU 104 CO 0.00 0.00 0.00 -3.38 -0.16 0.00 0.00 177.13 173.59 2kpo s HIS 105 N 1.77 1.85 0.39 -1.84 -3.43 -0.99 -4.99 115.29 108.05 2kpo s HIS 105 Ca 0.68 0.69 -0.04 0.00 -0.80 0.00 0.00 55.06 55.59 2kpo s HIS 105 Cb 0.18 -4.15 -0.04 0.00 -1.43 0.00 0.00 32.58 27.14 2kpo s HIS 105 CO -0.06 -2.53 0.66 -1.01 -2.00 0.00 0.00 174.74 169.80 2kpo s HIS 106 N 7.49 3.52 -0.30 0.38 3.76 -1.26 -4.99 115.29 123.88 2kpo s HIS 106 Ca 0.71 0.65 -0.33 0.00 -0.15 0.00 0.00 55.06 55.93 2kpo s HIS 106 Cb -0.17 -2.14 -0.10 0.00 1.11 0.00 0.00 32.58 31.28 2kpo s HIS 106 CO 0.28 -0.04 2.17 0.72 -0.85 0.00 0.00 174.74 177.03 2kpo n HIS 107 N -1.74 1.74 -3.70 1.40 8.25 -1.26 -4.94 115.22 114.96 2kpo n HIS 107 Ca -0.01 0.17 -0.11 0.00 -0.26 0.00 0.00 57.72 57.50 2kpo n HIS 107 Cb 0.55 -2.59 -0.11 0.00 1.12 0.00 0.00 29.99 28.96 2kpo n HIS 107 CO 0.00 0.00 0.00 -1.01 0.64 0.00 0.00 176.34 175.97 2kpo s HIS 108 N 7.33 -0.54 -0.06 4.41 4.02 -1.26 -5.14 115.29 124.05 2kpo s HIS 108 Ca 1.06 1.19 -0.02 0.00 1.02 0.00 0.00 55.06 58.31 2kpo s HIS 108 Cb -0.72 0.22 0.04 0.00 -1.02 0.00 0.00 32.58 31.09 2kpo s HIS 108 CO 0.46 -0.31 0.11 -1.01 1.02 0.00 0.00 174.74 175.01 2kpo s HIS 109 N 1.27 -0.08 -2.00 1.40 3.76 -1.26 -5.04 115.29 113.35 2kpo s HIS 109 Ca -0.09 0.41 0.29 0.00 -0.15 0.00 0.00 55.06 55.52 2kpo s HIS 109 Cb -0.08 -0.28 1.72 0.00 1.11 0.00 0.00 32.58 35.05 2kpo s HIS 109 CO -0.11 -0.20 2.06 1.58 -0.85 0.00 0.00 174.74 177.22