#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 4.36 -0.18 -0.89 1.02 0.57 -5.00 118.68 118.56 2kpo s LEU 2 Ca 0.00 1.14 0.01 0.00 0.02 0.00 0.00 54.13 55.29 2kpo s LEU 2 Cb 0.00 -2.97 0.03 0.00 0.02 0.00 0.00 46.19 43.27 2kpo s LEU 2 CO 0.00 -0.01 -0.15 -0.76 0.02 0.00 0.00 176.35 175.46 2kpo s LEU 3 N 0.34 2.17 0.07 1.79 1.43 -1.26 0.07 118.68 123.29 2kpo s LEU 3 Ca 0.33 -0.74 0.07 0.00 -1.03 0.00 0.00 54.13 52.76 2kpo s LEU 3 Cb -0.18 -1.33 -0.03 0.00 0.03 0.00 0.00 46.19 44.69 2kpo s LEU 3 CO 0.17 -0.08 -0.18 -0.31 0.23 0.00 0.00 176.35 176.18 2kpo s TYR 4 N 1.36 1.59 -0.11 0.29 1.51 0.55 -3.78 117.35 118.77 2kpo s TYR 4 Ca 0.02 -0.40 0.01 0.00 -1.01 0.00 0.00 57.07 55.69 2kpo s TYR 4 Cb -0.15 -0.91 0.02 0.00 -0.11 0.00 0.00 41.96 40.81 2kpo s TYR 4 CO -0.10 0.12 -0.11 0.08 -1.11 0.00 0.00 175.55 174.42 2kpo s VAL 5 N -1.02 1.24 -0.14 0.71 1.01 -0.27 -0.72 120.40 121.21 2kpo s VAL 5 Ca 0.04 -0.46 -0.04 0.00 0.00 0.00 0.00 61.98 61.52 2kpo s VAL 5 Cb -0.09 -1.18 -0.03 0.00 0.00 0.00 0.00 36.38 35.08 2kpo s VAL 5 CO 0.03 0.39 -0.03 -0.76 0.00 0.00 0.00 175.10 174.74 2kpo s LEU 6 N 1.26 3.34 -0.08 3.92 1.43 0.10 -0.46 118.68 128.19 2kpo s LEU 6 Ca -0.02 -0.07 0.04 0.00 -1.03 0.00 0.00 54.13 53.05 2kpo s LEU 6 Cb -0.14 -1.80 -0.00 0.00 0.03 0.00 0.00 46.19 44.28 2kpo s LEU 6 CO -0.04 0.21 -0.23 -0.51 0.23 0.00 0.00 176.35 176.01 2kpo s ILE 7 N 0.13 1.93 -0.32 -0.59 2.07 -0.90 -0.40 121.20 123.13 2kpo s ILE 7 Ca -0.00 -0.96 0.03 0.00 -1.41 0.00 0.00 60.65 58.30 2kpo s ILE 7 Cb -0.13 -1.66 0.08 0.00 0.13 0.00 0.00 42.46 40.87 2kpo s ILE 7 CO 0.02 0.53 0.01 -0.63 -1.91 0.00 0.00 174.94 172.97 2kpo s ILE 8 N 0.21 2.40 0.27 2.00 1.01 0.57 -0.83 121.20 126.84 2kpo s ILE 8 Ca -0.13 -2.01 -0.21 0.00 0.00 0.00 0.00 60.65 58.29 2kpo s ILE 8 Cb -0.16 -2.61 0.04 0.00 0.01 0.00 0.00 42.46 39.73 2kpo s ILE 8 CO 0.07 -0.38 0.80 -0.55 0.00 0.00 0.00 174.94 174.87 2kpo s SER 9 N 1.08 -0.17 -0.01 3.58 0.15 -1.26 -3.41 113.70 113.66 2kpo s SER 9 Ca 0.03 -0.69 0.06 0.00 0.70 0.00 0.00 55.95 56.05 2kpo s SER 9 Cb -0.20 0.70 -0.09 0.00 -1.71 0.00 0.00 66.02 64.72 2kpo s SER 9 CO -0.06 -1.32 0.13 0.59 1.20 0.00 0.00 173.24 173.78 2kpo n ASN 10 N -0.70 3.65 -4.61 5.45 5.03 -1.26 -4.99 115.26 117.84 2kpo n ASN 10 Ca -0.05 -0.01 -0.43 0.00 0.87 0.00 0.00 54.58 54.96 2kpo n ASN 10 Cb 0.60 1.26 -0.03 0.00 -1.02 0.00 0.00 39.78 40.59 2kpo n ASN 10 CO 0.00 0.00 0.00 -1.81 -1.83 0.00 0.00 177.26 173.62 2kpo s ASP 11 N -2.64 6.01 0.09 6.41 1.01 -1.26 -4.91 116.67 121.37 2kpo s ASP 11 Ca -0.02 1.40 -0.27 0.00 0.71 0.00 0.00 52.55 54.36 2kpo s ASP 11 Cb 0.04 -2.53 -0.15 0.00 1.01 0.00 0.00 42.92 41.29 2kpo s ASP 11 CO 0.24 -1.60 1.68 0.11 0.21 0.00 0.00 175.17 175.81 2kpo h LYS 12 N 12.37 -0.40 -0.47 8.23 1.79 -1.99 -1.83 116.57 134.26 2kpo h LYS 12 Ca -0.34 0.03 -0.01 0.00 -2.18 0.00 0.00 60.65 58.15 2kpo h LYS 12 Cb 1.17 0.09 -0.02 0.00 -1.58 0.00 0.00 32.23 31.89 2kpo h LYS 12 CO 1.02 -0.27 0.26 0.87 -1.08 0.00 0.00 179.45 180.25 2kpo h LYS 13 N -0.42 0.66 -0.86 3.15 1.79 -1.99 0.59 116.57 119.50 2kpo h LYS 13 Ca -0.03 -0.08 0.14 0.00 -2.18 0.00 0.00 60.65 58.51 2kpo h LYS 13 Cb 0.35 -0.13 -0.09 0.00 -1.58 0.00 0.00 32.23 30.78 2kpo h LYS 13 CO 0.03 0.52 0.46 1.25 -1.08 0.00 0.00 179.45 180.63 2kpo h LEU 14 N 0.63 0.58 -0.28 2.94 6.46 -1.93 0.50 115.31 124.21 2kpo h LEU 14 Ca 0.17 0.08 -0.09 0.00 -0.12 0.00 0.00 57.88 57.92 2kpo h LEU 14 Cb 0.05 -0.01 -0.01 0.00 -0.73 0.00 0.00 40.66 39.96 2kpo h LEU 14 CO -0.03 0.26 -0.17 0.40 -0.62 0.00 0.00 178.44 178.27 2kpo h ILE 15 N 0.67 1.30 -0.09 4.05 2.04 -0.60 -2.73 117.51 122.15 2kpo h ILE 15 Ca 0.46 -1.29 -0.01 0.00 1.00 0.00 0.00 64.86 65.02 2kpo h ILE 15 Cb 0.62 1.53 -0.00 0.00 -0.74 0.00 0.00 36.82 38.23 2kpo h ILE 15 CO -0.35 0.41 0.01 -0.33 0.00 0.00 0.00 178.15 177.90 2kpo h GLU 16 N 0.35 0.15 -0.50 2.37 4.39 0.02 -1.70 114.58 119.66 2kpo h GLU 16 Ca 0.06 -0.04 0.02 0.00 0.34 0.00 0.00 59.36 59.73 2kpo h GLU 16 Cb 0.71 -0.02 -0.03 0.00 -0.10 0.00 0.00 28.75 29.31 2kpo h GLU 16 CO 0.05 0.38 0.33 0.93 -1.16 0.00 0.00 179.01 179.54 2kpo h GLU 17 N -0.10 0.61 -0.59 2.33 3.07 -1.04 -0.45 114.58 118.41 2kpo h GLU 17 Ca 0.03 -0.04 0.01 0.00 -0.50 0.00 0.00 59.36 58.86 2kpo h GLU 17 Cb 0.30 -0.14 -0.03 0.00 -0.84 0.00 0.00 28.75 28.05 2kpo h GLU 17 CO 0.00 0.40 0.39 0.00 -1.40 0.00 0.00 179.01 178.40 2kpo h ALA 18 N 1.70 0.74 -0.48 3.43 0.00 -1.17 -0.83 119.26 122.66 2kpo h ALA 18 Ca 0.19 -0.04 -0.00 0.00 0.00 0.00 0.00 54.91 55.06 2kpo h ALA 18 Cb 0.01 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.53 2kpo h ALA 18 CO -0.05 0.18 0.29 0.00 0.00 0.00 0.00 179.25 179.68 2kpo h ARG 19 N 0.80 0.65 -0.45 0.00 3.08 -0.30 -1.55 114.38 116.61 2kpo h ARG 19 Ca 0.21 -0.06 0.06 0.00 0.07 0.00 0.00 59.98 60.26 2kpo h ARG 19 Cb -0.09 -0.14 -0.05 0.00 0.08 0.00 0.00 29.97 29.78 2kpo h ARG 19 CO -0.05 0.47 0.16 0.87 -1.07 0.00 0.00 179.97 180.36 2kpo h LYS 20 N 0.64 0.32 -0.56 0.04 1.57 -0.77 -0.66 116.57 117.14 2kpo h LYS 20 Ca 0.17 -0.02 0.03 0.00 -1.87 0.00 0.00 60.65 58.96 2kpo h LYS 20 Cb -0.01 -0.07 -0.04 0.00 0.08 0.00 0.00 32.23 32.19 2kpo h LYS 20 CO -0.03 0.21 0.33 0.52 -0.57 0.00 0.00 179.45 179.91 2kpo h MET 21 N 0.33 0.63 -0.91 3.15 2.86 -0.92 -2.38 114.93 117.68 2kpo h MET 21 Ca 0.21 -0.04 0.03 0.00 -2.06 0.00 0.00 59.70 57.84 2kpo h MET 21 Cb 0.21 -0.14 -0.05 0.00 0.06 0.00 0.00 31.60 31.68 2kpo h MET 21 CO -0.22 0.41 0.60 0.00 1.06 0.00 0.00 176.91 178.77 2kpo h ALA 22 N 1.26 1.40 -0.58 6.32 0.00 -0.47 -0.17 119.26 127.02 2kpo h ALA 22 Ca 0.23 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.09 2kpo h ALA 22 Cb 0.05 -0.34 -0.03 0.00 0.00 0.00 0.00 17.79 17.47 2kpo h ALA 22 CO -0.11 0.52 0.37 0.93 0.00 0.00 0.00 179.25 180.96 2kpo h GLU 23 N 1.17 0.78 -0.51 0.00 4.39 -0.66 0.49 114.58 120.24 2kpo h GLU 23 Ca 0.35 -0.06 -0.08 0.00 0.34 0.00 0.00 59.36 59.91 2kpo h GLU 23 Cb -0.03 -0.17 -0.02 0.00 -0.10 0.00 0.00 28.75 28.43 2kpo h GLU 23 CO -0.10 0.55 0.00 0.87 -1.16 0.00 0.00 179.01 179.17 2kpo h LYS 24 N 0.79 0.90 -0.00 2.33 6.56 -1.00 -2.98 116.57 123.17 2kpo h LYS 24 Ca 0.21 -0.29 0.00 0.00 -1.06 0.00 0.00 60.65 59.51 2kpo h LYS 24 Cb -0.04 -0.08 0.00 0.00 -0.57 0.00 0.00 32.23 31.53 2kpo h LYS 24 CO -0.04 0.93 -0.05 0.00 -2.06 0.00 0.00 179.45 178.23 2kpo n ALA 25 N -2.44 2.58 -3.28 3.86 0.00 -0.13 -4.94 120.51 116.15 2kpo n ALA 25 Ca 0.01 -0.18 -0.16 0.00 0.00 0.00 0.00 53.44 53.12 2kpo n ALA 25 Cb 0.32 -1.44 0.08 0.00 0.00 0.00 0.00 19.45 18.41 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 -1.24 -2.35 -4.41 0.00 3.02 0.15 -5.03 115.26 105.40 2kpo n ASN 26 Ca 0.13 -0.54 -0.29 0.00 -0.03 0.00 0.00 54.58 53.85 2kpo n ASN 26 Cb 0.27 -4.60 -0.12 0.00 -0.61 0.00 0.00 39.78 34.71 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 -5.92 2.40 -0.51 3.41 1.43 0.09 -5.03 118.68 114.56 2kpo s LEU 27 Ca 0.04 -0.74 -0.25 0.00 -1.03 0.00 0.00 54.13 52.15 2kpo s LEU 27 Cb -0.02 -1.26 0.03 0.00 0.03 0.00 0.00 46.19 44.97 2kpo s LEU 27 CO 0.65 0.17 0.93 -1.61 0.23 0.00 0.00 176.35 176.71 2kpo s GLU 28 N -2.19 3.42 -0.29 1.70 2.02 -1.25 -4.58 118.70 117.53 2kpo s GLU 28 Ca 0.16 -0.06 -0.11 0.00 0.02 0.00 0.00 54.97 54.98 2kpo s GLU 28 Cb -0.10 -3.99 -0.04 0.00 0.10 0.00 0.00 34.13 30.11 2kpo s GLU 28 CO 0.07 -1.35 0.18 -1.17 0.02 0.00 0.00 175.26 173.02 2kpo s LEU 29 N 3.83 4.07 -0.10 1.80 0.20 -1.26 -1.11 118.68 126.11 2kpo s LEU 29 Ca 0.33 -0.18 0.01 0.00 0.69 0.00 0.00 54.13 54.98 2kpo s LEU 29 Cb -0.11 -2.09 -0.02 0.00 -0.43 0.00 0.00 46.19 43.54 2kpo s LEU 29 CO 0.23 -0.11 -0.11 -0.13 -0.29 0.00 0.00 176.35 175.94 2kpo s ARG 30 N 1.72 3.02 -0.36 1.98 1.81 0.39 -4.99 118.95 122.51 2kpo s ARG 30 Ca 0.06 -0.64 -0.22 0.00 -1.72 0.00 0.00 55.73 53.22 2kpo s ARG 30 Cb -0.16 -2.58 0.01 0.00 -0.45 0.00 0.00 34.95 31.77 2kpo s ARG 30 CO 0.09 0.43 0.70 0.95 -0.68 0.00 0.00 175.30 176.79 2kpo s THR 31 N -0.21 4.82 -0.09 0.02 -4.23 -1.26 -2.11 115.64 112.58 2kpo s THR 31 Ca 0.01 0.69 -0.19 0.00 -1.18 0.00 0.00 61.69 61.03 2kpo s THR 31 Cb -0.13 -4.14 -0.04 0.00 1.34 0.00 0.00 72.50 69.53 2kpo s THR 31 CO 0.03 -0.37 0.51 -0.69 -0.54 0.00 0.00 174.62 173.55 2kpo s VAL 32 N 2.87 5.14 -0.21 2.29 1.01 -0.01 -4.94 120.40 126.54 2kpo s VAL 32 Ca 0.27 1.02 0.09 0.00 0.00 0.00 0.00 61.98 63.37 2kpo s VAL 32 Cb -0.14 -3.84 -0.20 0.00 0.00 0.00 0.00 36.38 32.20 2kpo s VAL 32 CO 0.16 0.34 -0.07 0.29 0.00 0.00 0.00 175.10 175.82 2kpo n LYS 33 N 3.47 0.76 -4.16 2.72 5.02 -1.26 -4.34 118.16 120.36 2kpo n LYS 33 Ca -0.07 0.06 -0.15 0.00 -2.02 0.00 0.00 58.31 56.13 2kpo n LYS 33 Cb 0.52 -1.49 -0.07 0.00 -0.02 0.00 0.00 35.03 33.97 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 -2.47 0.00 0.24 -0.18 -4.23 -1.26 -5.00 115.64 102.74 2kpo s THR 34 Ca -0.21 -1.78 -0.04 0.00 -1.18 0.00 0.00 61.69 58.48 2kpo s THR 34 Cb 0.07 -2.53 0.21 0.00 1.34 0.00 0.00 72.50 71.58 2kpo s THR 34 CO 0.67 0.00 1.77 -0.08 -0.54 0.00 0.00 174.62 176.44 2kpo h GLU 35 N 2.22 0.61 -0.46 3.99 4.57 -2.00 -1.70 114.58 121.81 2kpo h GLU 35 Ca -0.28 -0.04 -0.03 0.00 -1.18 0.00 0.00 59.36 57.83 2kpo h GLU 35 Cb 1.24 -0.14 -0.02 0.00 -0.16 0.00 0.00 28.75 29.67 2kpo h GLU 35 CO 0.40 0.40 0.17 0.22 -1.18 0.00 0.00 179.01 179.02 2kpo h ASP 36 N 0.63 0.65 -0.20 1.04 1.82 -1.99 -2.54 116.42 115.82 2kpo h ASP 36 Ca 0.40 -0.18 0.03 0.00 -0.39 0.00 0.00 57.03 56.89 2kpo h ASP 36 Cb 0.48 -0.17 -0.03 0.00 0.68 0.00 0.00 39.33 40.29 2kpo h ASP 36 CO -0.31 0.66 -0.01 -0.33 -1.61 0.00 0.00 179.24 177.64 2kpo h GLU 37 N 0.61 0.05 -0.17 0.28 4.39 -1.84 0.22 114.58 118.12 2kpo h GLU 37 Ca 0.15 -0.00 0.05 0.00 0.34 0.00 0.00 59.36 59.90 2kpo h GLU 37 Cb 0.23 -0.01 -0.06 0.00 -0.10 0.00 0.00 28.75 28.80 2kpo h GLU 37 CO -0.01 0.03 -0.24 1.25 -1.16 0.00 0.00 179.01 178.89 2kpo h LEU 38 N 0.05 -0.74 -0.11 1.33 7.12 -1.22 0.10 115.31 121.85 2kpo h LEU 38 Ca 0.10 0.12 0.04 0.00 0.13 0.00 0.00 57.88 58.27 2kpo h LEU 38 Cb 0.12 0.34 -0.04 0.00 -0.53 0.00 0.00 40.66 40.55 2kpo h LEU 38 CO -0.17 -0.28 -0.13 0.50 -0.13 0.00 0.00 178.44 178.23 2kpo h LYS 39 N -0.28 -0.16 -0.92 1.25 3.64 -1.18 -2.05 116.57 116.86 2kpo h LYS 39 Ca 0.11 0.01 0.02 0.00 -1.27 0.00 0.00 60.65 59.52 2kpo h LYS 39 Cb 0.45 0.04 -0.05 0.00 -0.41 0.00 0.00 32.23 32.26 2kpo h LYS 39 CO -0.33 -0.11 0.61 -0.22 -2.27 0.00 0.00 179.45 177.13 2kpo h LYS 40 N -0.17 1.18 -0.11 1.90 3.64 0.08 -1.23 116.57 121.86 2kpo h LYS 40 Ca 0.08 -0.07 -0.17 0.00 -1.27 0.00 0.00 60.65 59.23 2kpo h LYS 40 Cb 0.29 -0.27 -0.01 0.00 -0.41 0.00 0.00 32.23 31.83 2kpo h LYS 40 CO -0.21 0.78 -0.64 1.88 -2.27 0.00 0.00 179.45 179.00 2kpo h TYR 41 N 1.22 0.55 -0.21 1.91 -1.99 -0.90 -2.94 116.97 114.61 2kpo h TYR 41 Ca 0.35 -0.22 -0.03 0.00 2.00 0.00 0.00 58.73 60.84 2kpo h TYR 41 Cb -0.09 -0.09 -0.01 0.00 2.00 0.00 0.00 36.73 38.53 2kpo h TYR 41 CO -0.00 0.94 0.02 -0.07 -0.00 0.00 0.00 178.16 179.05 2kpo h LEU 42 N 0.31 0.27 -0.83 3.88 3.38 -0.53 -2.31 115.31 119.49 2kpo h LEU 42 Ca -0.01 -0.03 0.06 0.00 0.09 0.00 0.00 57.88 57.99 2kpo h LEU 42 Cb 1.18 -0.07 -0.06 0.00 0.09 0.00 0.00 40.66 41.80 2kpo h LEU 42 CO 0.11 0.32 0.51 -0.33 0.09 0.00 0.00 178.44 179.14 2kpo h GLU 43 N 0.30 0.91 -0.56 1.13 5.08 -1.08 0.92 114.58 121.28 2kpo h GLU 43 Ca 0.07 -0.05 -0.10 0.00 -1.00 0.00 0.00 59.36 58.28 2kpo h GLU 43 Cb 0.18 -0.20 -0.02 0.00 0.50 0.00 0.00 28.75 29.20 2kpo h GLU 43 CO 0.00 0.60 -0.05 1.49 -1.00 0.00 0.00 179.01 180.06 2kpo h GLU 44 N 0.93 1.01 0.00 2.33 4.57 -1.47 -3.09 114.58 118.86 2kpo h GLU 44 Ca 0.36 -0.34 -0.09 0.00 -1.18 0.00 0.00 59.36 58.12 2kpo h GLU 44 Cb 0.16 -0.08 -0.01 0.00 -0.16 0.00 0.00 28.75 28.65 2kpo h GLU 44 CO -0.17 1.02 -0.41 0.74 -1.18 0.00 0.00 179.01 179.01 2kpo h PHE 45 N 0.92 0.00 -0.00 0.92 0.05 -0.91 -3.02 116.94 114.88 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 0.59 0.00 -0.00 0.00 2.00 0.00 0.00 35.95 38.54 2kpo h PHE 45 CO 0.04 0.41 0.03 0.00 -0.18 0.00 0.00 178.31 178.60 2kpo h ARG 46 N 0.00 0.00 -0.73 1.51 3.08 -0.76 -2.02 114.38 115.46 2kpo h ARG 46 Ca -0.00 0.00 -0.01 0.00 0.07 0.00 0.00 59.98 60.04 2kpo h ARG 46 Cb 0.90 0.00 -0.04 0.00 0.08 0.00 0.00 29.97 30.91 2kpo h ARG 46 CO 0.05 0.00 0.42 0.87 -1.07 0.00 0.00 179.97 180.24 2kpo h LYS 47 N 0.00 1.01 -0.31 0.04 1.57 -1.67 -3.15 116.57 114.05 2kpo h LYS 47 Ca 0.00 -0.10 -0.19 0.00 -1.87 0.00 0.00 60.65 58.49 2kpo h LYS 47 Cb 0.06 -0.21 -0.12 0.00 0.08 0.00 0.00 32.23 32.04 2kpo h LYS 47 CO -0.00 0.72 -0.30 0.39 -0.57 0.00 0.00 179.45 179.70 2kpo n GLU 48 N -4.37 2.03 0.22 3.15 -0.58 -0.76 -4.81 120.64 115.51 2kpo n GLU 48 Ca 0.08 -3.38 0.09 0.00 -0.42 0.00 0.00 57.16 53.53 2kpo n GLU 48 Cb 0.08 -1.83 0.50 0.00 -0.57 0.00 0.00 31.44 29.62 2kpo n GLU 48 CO 0.00 0.00 0.00 0.66 -0.48 0.00 0.00 177.13 177.31 2kpo h SER 49 N 1.20 0.00 -0.13 1.62 4.64 -1.51 -2.54 113.55 116.83 2kpo h SER 49 Ca 0.18 0.00 -0.04 0.00 -0.47 0.00 0.00 61.79 61.46 2kpo h SER 49 Cb 1.39 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.47 2kpo h SER 49 CO 0.35 0.00 -0.10 1.56 -0.87 0.00 0.00 176.83 177.78 2kpo h GLN 50 N 0.00 0.29 0.00 4.77 1.08 -1.89 -3.36 115.11 115.99 2kpo h GLN 50 Ca 0.00 -0.14 -0.01 0.00 -1.45 0.00 0.00 58.65 57.05 2kpo h GLN 50 Cb 0.63 -0.00 -0.03 0.00 -0.05 0.00 0.00 27.48 28.03 2kpo h GLN 50 CO 0.00 0.66 -0.28 0.09 -0.95 0.00 0.00 178.83 178.36 2kpo n ASN 51 N -4.63 1.61 -4.91 1.46 3.02 -0.98 -5.08 115.26 105.75 2kpo n ASN 51 Ca -0.06 -2.90 -0.30 0.00 -0.03 0.00 0.00 54.58 51.28 2kpo n ASN 51 Cb 0.32 -0.39 -0.04 0.00 -0.61 0.00 0.00 39.78 39.06 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 -2.08 5.19 -0.07 2.41 2.07 -1.09 -0.31 121.20 127.32 2kpo s ILE 52 Ca 0.26 -0.11 0.00 0.00 -1.41 0.00 0.00 60.65 59.40 2kpo s ILE 52 Cb 0.24 -3.66 0.02 0.00 0.13 0.00 0.00 42.46 39.20 2kpo s ILE 52 CO -0.01 -0.02 -0.05 -0.54 -1.91 0.00 0.00 174.94 172.41 2kpo s LYS 53 N -2.85 1.07 -0.24 3.50 -0.14 0.11 -4.83 119.74 116.36 2kpo s LYS 53 Ca 0.40 -0.13 -0.01 0.00 -1.36 0.00 0.00 55.97 54.86 2kpo s LYS 53 Cb -0.12 -1.13 0.03 0.00 -1.68 0.00 0.00 37.83 34.93 2kpo s LYS 53 CO 0.26 -0.16 -0.08 0.08 -0.76 0.00 0.00 175.35 174.69 2kpo s VAL 54 N 1.31 2.75 -0.39 3.17 1.01 -1.24 -0.33 120.40 126.68 2kpo s VAL 54 Ca -0.04 -1.04 -0.16 0.00 0.00 0.00 0.00 61.98 60.74 2kpo s VAL 54 Cb -0.14 -2.38 0.01 0.00 0.00 0.00 0.00 36.38 33.87 2kpo s VAL 54 CO -0.03 0.23 0.36 -0.22 0.00 0.00 0.00 175.10 175.44 2kpo s LEU 55 N 1.31 4.78 -0.25 3.92 2.96 0.10 -0.65 118.68 130.86 2kpo s LEU 55 Ca 0.00 -0.59 -0.07 0.00 -0.22 0.00 0.00 54.13 53.25 2kpo s LEU 55 Cb -0.16 -2.29 -0.03 0.00 0.50 0.00 0.00 46.19 44.21 2kpo s LEU 55 CO -0.05 -0.45 0.05 -0.63 -1.32 0.00 0.00 176.35 173.96 2kpo s ILE 56 N 1.94 4.18 -0.24 6.68 1.01 -1.09 0.03 121.20 133.70 2kpo s ILE 56 Ca 0.09 -0.22 -0.08 0.00 0.00 0.00 0.00 60.65 60.44 2kpo s ILE 56 Cb -0.17 -2.95 -0.04 0.00 0.01 0.00 0.00 42.46 39.31 2kpo s ILE 56 CO 0.12 0.35 0.10 -0.76 0.00 0.00 0.00 174.94 174.75 2kpo s LEU 57 N 1.60 3.66 0.28 2.97 2.01 0.47 -0.38 118.68 129.29 2kpo s LEU 57 Ca 0.06 -0.10 0.11 0.00 0.01 0.00 0.00 54.13 54.21 2kpo s LEU 57 Cb -0.15 -1.98 -0.05 0.00 0.01 0.00 0.00 46.19 44.02 2kpo s LEU 57 CO 0.03 0.00 -0.18 0.68 1.01 0.00 0.00 176.35 177.89 2kpo s VAL 58 N 1.40 2.37 -0.15 -1.59 -7.23 -0.21 -0.31 120.40 114.67 2kpo s VAL 58 Ca 0.06 -2.36 0.03 0.00 -1.81 0.00 0.00 61.98 57.90 2kpo s VAL 58 Cb -0.15 -2.33 -0.23 0.00 0.56 0.00 0.00 36.38 34.23 2kpo s VAL 58 CO 0.05 -0.39 0.23 -0.24 -0.31 0.00 0.00 175.10 174.44 2kpo n SER 59 N -0.62 1.55 -4.74 4.85 2.88 -1.22 -0.34 113.62 115.97 2kpo n SER 59 Ca -0.05 0.13 -0.26 0.00 -1.33 0.00 0.00 58.87 57.36 2kpo n SER 59 Cb 0.61 -0.33 -0.06 0.00 -0.75 0.00 0.00 64.21 63.67 2kpo n SER 59 CO 0.00 0.00 0.00 0.20 -1.23 0.00 0.00 175.04 174.01 2kpo s ASN 60 N -6.50 5.19 0.42 -3.46 0.01 -1.26 -4.69 114.94 104.65 2kpo s ASN 60 Ca -0.20 -0.27 0.19 0.00 -0.71 0.00 0.00 52.86 51.87 2kpo s ASN 60 Cb 0.07 -1.25 0.94 0.00 0.41 0.00 0.00 41.25 41.43 2kpo s ASN 60 CO 0.75 0.06 1.88 0.44 -1.51 0.00 0.00 177.10 178.72 2kpo h ASP 61 N 2.41 0.00 -0.16 -1.22 3.32 -1.99 -2.35 116.42 116.42 2kpo h ASP 61 Ca -0.47 0.00 -0.01 0.00 0.02 0.00 0.00 57.03 56.57 2kpo h ASP 61 Cb 1.21 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.75 2kpo h ASP 61 CO 0.61 0.29 0.06 -0.33 -1.72 0.00 0.00 179.24 178.14 2kpo h GLU 62 N 0.00 0.25 -0.71 3.56 5.08 -1.99 -1.58 114.58 119.19 2kpo h GLU 62 Ca -0.00 -0.05 -0.02 0.00 -1.00 0.00 0.00 59.36 58.29 2kpo h GLU 62 Cb 0.62 -0.04 -0.03 0.00 0.50 0.00 0.00 28.75 29.80 2kpo h GLU 62 CO 0.04 0.36 0.36 0.93 -1.00 0.00 0.00 179.01 179.70 2kpo h GLU 63 N 0.09 0.99 -0.26 2.33 4.39 -1.93 -0.34 114.58 119.87 2kpo h GLU 63 Ca 0.05 -0.12 0.06 0.00 0.34 0.00 0.00 59.36 59.70 2kpo h GLU 63 Cb 0.21 -0.19 -0.07 0.00 -0.10 0.00 0.00 28.75 28.60 2kpo h GLU 63 CO -0.00 0.75 -0.20 1.25 -1.16 0.00 0.00 179.01 179.64 2kpo h LEU 64 N 0.99 -0.65 0.29 1.33 5.85 -1.22 0.12 115.31 122.02 2kpo h LEU 64 Ca 0.25 0.13 -0.01 0.00 0.84 0.00 0.00 57.88 59.08 2kpo h LEU 64 Cb 0.07 0.32 0.00 0.00 0.37 0.00 0.00 40.66 41.42 2kpo h LEU 64 CO -0.04 -0.24 -0.14 -0.78 -0.34 0.00 0.00 178.44 176.90 2kpo h ASP 65 N -0.19 -0.33 -0.74 1.25 3.58 -0.67 -2.96 116.42 116.35 2kpo h ASP 65 Ca 0.14 -0.02 0.04 0.00 0.42 0.00 0.00 57.03 57.62 2kpo h ASP 65 Cb 0.41 0.09 -0.05 0.00 1.72 0.00 0.00 39.33 41.50 2kpo h ASP 65 CO -0.37 -0.20 0.46 0.11 -2.88 0.00 0.00 179.24 176.35 2kpo h LYS 66 N -0.43 0.84 0.17 0.28 1.79 -0.87 0.81 116.57 119.14 2kpo h LYS 66 Ca -0.04 -0.05 0.01 0.00 -2.18 0.00 0.00 60.65 58.39 2kpo h LYS 66 Cb 0.33 -0.19 -0.03 0.00 -1.58 0.00 0.00 32.23 30.76 2kpo h LYS 66 CO 0.07 0.56 -0.25 0.00 -1.08 0.00 0.00 179.45 178.75 2kpo h ALA 67 N 1.34 -0.45 -0.09 3.86 0.00 -0.71 -0.10 119.26 123.11 2kpo h ALA 67 Ca 0.31 -0.05 -0.12 0.00 0.00 0.00 0.00 54.91 55.05 2kpo h ALA 67 Cb 0.09 0.38 -0.01 0.00 0.00 0.00 0.00 17.79 18.25 2kpo h ALA 67 CO -0.14 -0.79 -0.49 1.57 0.00 0.00 0.00 179.25 179.40 2kpo h LYS 68 N -0.48 0.23 -0.65 0.00 2.10 -1.38 -2.97 116.57 113.43 2kpo h LYS 68 Ca 0.02 -0.13 0.03 0.00 -2.00 0.00 0.00 60.65 58.56 2kpo h LYS 68 Cb 0.48 0.01 -0.04 0.00 -0.90 0.00 0.00 32.23 31.77 2kpo h LYS 68 CO -0.11 0.68 0.40 1.49 -2.00 0.00 0.00 179.45 179.91 2kpo h GLU 69 N 0.19 0.77 -0.31 0.07 4.22 -0.37 0.61 114.58 119.76 2kpo h GLU 69 Ca 0.01 -0.05 -0.01 0.00 0.08 0.00 0.00 59.36 59.39 2kpo h GLU 69 Cb 0.94 -0.17 -0.01 0.00 0.50 0.00 0.00 28.75 30.00 2kpo h GLU 69 CO 0.08 0.51 0.16 -0.07 -2.18 0.00 0.00 179.01 177.50 2kpo h LEU 70 N 0.79 0.39 -0.53 1.64 3.38 -0.97 -2.64 115.31 117.38 2kpo h LEU 70 Ca 0.26 -0.11 0.01 0.00 0.09 0.00 0.00 57.88 58.13 2kpo h LEU 70 Cb 0.01 -0.10 -0.03 0.00 0.09 0.00 0.00 40.66 40.63 2kpo h LEU 70 CO -0.10 0.39 0.34 0.00 0.09 0.00 0.00 178.44 179.15 2kpo h ALA 71 N 1.02 0.67 -0.72 1.53 0.00 -1.26 -2.36 119.26 118.14 2kpo h ALA 71 Ca 0.11 -0.03 0.01 0.00 0.00 0.00 0.00 54.91 55.00 2kpo h ALA 71 Cb 0.09 -0.19 -0.04 0.00 0.00 0.00 0.00 17.79 17.65 2kpo h ALA 71 CO -0.02 0.08 0.48 1.96 0.00 0.00 0.00 179.25 181.75 2kpo h GLN 72 N 0.68 0.93 -0.52 0.00 4.20 -0.85 0.37 115.11 119.93 2kpo h GLN 72 Ca 0.20 -0.06 -0.10 0.00 0.06 0.00 0.00 58.65 58.76 2kpo h GLN 72 Cb -0.05 -0.21 -0.02 0.00 0.30 0.00 0.00 27.48 27.51 2kpo h GLN 72 CO -0.06 0.62 -0.06 0.87 -0.67 0.00 0.00 178.83 179.53 2kpo h LYS 73 N 0.96 0.95 -0.24 1.46 1.57 -1.06 -3.14 116.57 117.07 2kpo h LYS 73 Ca 0.27 -0.33 0.00 0.00 -1.87 0.00 0.00 60.65 58.71 2kpo h LYS 73 Cb -0.09 -0.07 0.00 0.00 0.08 0.00 0.00 32.23 32.15 2kpo h LYS 73 CO -0.06 1.00 0.00 -1.33 -0.57 0.00 0.00 179.45 178.49 2kpo n MET 74 N -4.24 2.26 -2.78 3.15 2.81 -0.95 -5.00 117.12 112.37 2kpo n MET 74 Ca 0.01 -1.89 -0.03 0.00 -1.81 0.00 0.00 57.70 53.98 2kpo n MET 74 Cb 0.36 -1.48 0.00 0.00 -0.71 0.00 0.00 33.22 31.40 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 1.15 -1.56 -4.37 0.03 1.02 0.11 -5.06 120.64 111.96 2kpo n GLU 75 Ca 0.18 1.61 -0.22 0.00 -0.02 0.00 0.00 57.16 58.71 2kpo n GLU 75 Cb 0.53 -5.20 -0.16 0.00 -0.02 0.00 0.00 31.44 26.59 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 -2.74 0.80 -0.91 -3.67 1.01 -0.17 -5.01 121.20 110.51 2kpo s ILE 76 Ca 0.09 -0.30 -0.25 0.00 0.00 0.00 0.00 60.65 60.20 2kpo s ILE 76 Cb -0.03 -0.76 0.04 0.00 0.01 0.00 0.00 42.46 41.72 2kpo s ILE 76 CO 0.66 0.28 1.39 -0.62 0.00 0.00 0.00 174.94 176.65 2kpo s ASP 77 N 0.69 6.35 0.35 3.58 -1.08 -1.26 -4.60 116.67 120.70 2kpo s ASP 77 Ca -0.12 -1.05 0.09 0.00 -0.52 0.00 0.00 52.55 50.95 2kpo s ASP 77 Cb -0.14 -2.57 -0.05 0.00 -1.46 0.00 0.00 42.92 38.70 2kpo s ASP 77 CO 0.02 -1.65 0.07 0.68 0.52 0.00 0.00 175.17 174.80 2kpo s VAL 78 N 5.35 2.69 -0.39 1.11 -7.23 -1.26 -3.66 120.40 117.00 2kpo s VAL 78 Ca 0.42 -1.86 0.01 0.00 -1.81 0.00 0.00 61.98 58.74 2kpo s VAL 78 Cb -0.03 -2.88 0.14 0.00 0.56 0.00 0.00 36.38 34.17 2kpo s VAL 78 CO -0.00 -0.17 0.23 -0.60 -0.31 0.00 0.00 175.10 174.25 2kpo s ARG 79 N -3.77 0.88 0.03 4.82 3.52 0.18 -4.95 118.95 119.66 2kpo s ARG 79 Ca 0.36 -1.67 -0.19 0.00 -0.13 0.00 0.00 55.73 54.10 2kpo s ARG 79 Cb -0.00 -1.73 -0.06 0.00 -1.56 0.00 0.00 34.95 31.60 2kpo s ARG 79 CO 0.21 -1.21 0.57 0.99 -0.81 0.00 0.00 175.30 175.05 2kpo s THR 80 N 0.69 4.84 0.03 4.11 2.01 -1.26 -2.69 115.64 123.38 2kpo s THR 80 Ca 0.19 1.20 -0.02 0.00 0.31 0.00 0.00 61.69 63.36 2kpo s THR 80 Cb -0.21 -3.90 -0.02 0.00 0.01 0.00 0.00 72.50 68.38 2kpo s THR 80 CO -0.01 0.50 0.02 -0.13 -0.69 0.00 0.00 174.62 174.30 2kpo s ARG 81 N -0.70 0.50 -0.09 4.92 1.81 0.49 -4.94 118.95 120.94 2kpo s ARG 81 Ca 0.29 -0.84 -0.05 0.00 -1.72 0.00 0.00 55.73 53.42 2kpo s ARG 81 Cb -0.19 0.18 -0.04 0.00 -0.45 0.00 0.00 34.95 34.46 2kpo s ARG 81 CO 0.18 -0.10 0.11 0.21 -0.68 0.00 0.00 175.30 175.01 2kpo s LYS 82 N -2.59 3.30 0.10 3.54 2.20 -1.26 -1.04 119.74 123.98 2kpo s LYS 82 Ca -0.05 -0.24 0.07 0.00 -0.36 0.00 0.00 55.97 55.38 2kpo s LYS 82 Cb -0.02 -3.06 -0.03 0.00 -1.51 0.00 0.00 37.83 33.21 2kpo s LYS 82 CO -0.05 0.74 -0.17 0.14 -0.36 0.00 0.00 175.35 175.65 2kpo s VAL 83 N -1.03 1.45 -0.00 4.02 -7.23 0.53 -4.89 120.40 113.24 2kpo s VAL 83 Ca 0.16 -1.54 -0.02 0.00 -1.81 0.00 0.00 61.98 58.77 2kpo s VAL 83 Cb -0.12 -1.42 -0.01 0.00 0.56 0.00 0.00 36.38 35.39 2kpo s VAL 83 CO 0.06 -0.22 -0.05 0.35 -0.31 0.00 0.00 175.10 174.93 2kpo n THR 84 N 0.95 0.54 -3.70 5.32 -2.24 -1.26 -4.43 114.28 109.46 2kpo n THR 84 Ca -0.19 0.09 -0.29 0.00 -2.27 0.00 0.00 64.05 61.39 2kpo n THR 84 Cb 0.55 -1.59 -0.04 0.00 -2.10 0.00 0.00 70.33 67.15 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 -5.53 6.41 0.24 3.42 0.01 -1.26 -5.02 113.70 111.97 2kpo s SER 85 Ca -0.05 0.44 -0.04 0.00 1.31 0.00 0.00 55.95 57.61 2kpo s SER 85 Cb 0.01 -2.03 0.46 0.00 0.21 0.00 0.00 66.02 64.67 2kpo s SER 85 CO 0.06 -0.01 1.72 -0.65 0.41 0.00 0.00 173.24 174.77 2kpo h PRO 86 N 2.25 0.39 0.00 12.44 0.11 -1.97 -1.21 132.00 144.01 2kpo h PRO 86 Ca -0.47 -0.02 -0.02 0.00 0.11 0.00 0.00 66.00 65.59 2kpo h PRO 86 Cb 1.18 -0.09 -0.00 0.00 0.11 0.00 0.00 31.00 32.20 2kpo h PRO 86 CO 0.70 0.26 -0.10 -0.44 -0.21 0.00 0.00 178.00 178.21 2kpo h ASP 87 N 0.40 0.00 0.70 -2.05 3.32 -1.95 -1.63 116.42 115.22 2kpo h ASP 87 Ca 0.41 0.00 -0.03 0.00 0.02 0.00 0.00 57.03 57.43 2kpo h ASP 87 Cb 0.64 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 40.19 2kpo h ASP 87 CO -0.42 0.10 -0.41 -0.33 -1.72 0.00 0.00 179.24 176.46 2kpo h GLU 88 N 0.00 -1.00 -0.90 3.56 4.39 -1.62 -0.47 114.58 118.55 2kpo h GLU 88 Ca -0.00 0.07 0.05 0.00 0.34 0.00 0.00 59.36 59.81 2kpo h GLU 88 Cb 0.27 0.23 -0.06 0.00 -0.10 0.00 0.00 28.75 29.09 2kpo h GLU 88 CO 0.01 -0.66 0.58 0.00 -1.16 0.00 0.00 179.01 177.78 2kpo h ALA 89 N -0.80 1.22 -0.39 3.43 0.00 -1.50 -1.55 119.26 119.66 2kpo h ALA 89 Ca -0.09 -0.03 0.08 0.00 0.00 0.00 0.00 54.91 54.87 2kpo h ALA 89 Cb 0.83 -0.29 -0.07 0.00 0.00 0.00 0.00 17.79 18.26 2kpo h ALA 89 CO 0.11 0.39 -0.05 0.87 0.00 0.00 0.00 179.25 180.56 2kpo h LYS 90 N 1.09 0.04 -0.28 0.00 1.57 -1.14 -1.77 116.57 116.08 2kpo h LYS 90 Ca 0.37 -0.00 -0.03 0.00 -1.87 0.00 0.00 60.65 59.13 2kpo h LYS 90 Cb 0.08 -0.01 -0.01 0.00 0.08 0.00 0.00 32.23 32.37 2kpo h LYS 90 CO -0.14 0.03 0.07 -0.09 -0.57 0.00 0.00 179.45 178.74 2kpo h ARG 91 N 0.04 0.44 -0.87 3.15 2.43 -0.46 -2.74 114.38 116.38 2kpo h ARG 91 Ca 0.19 -0.11 0.12 0.00 -0.81 0.00 0.00 59.98 59.38 2kpo h ARG 91 Cb 0.29 -0.06 -0.07 0.00 -0.42 0.00 0.00 29.97 29.71 2kpo h ARG 91 CO -0.37 0.53 0.56 -1.49 -1.51 0.00 0.00 179.97 177.69 2kpo h TRP 92 N 0.28 0.85 -0.73 2.20 4.06 -0.97 0.31 115.95 121.95 2kpo h TRP 92 Ca 0.09 0.02 -0.03 0.00 2.06 0.00 0.00 58.89 61.03 2kpo h TRP 92 Cb 0.28 -0.27 -0.03 0.00 -1.00 0.00 0.00 29.16 28.14 2kpo h TRP 92 CO 0.01 0.35 0.32 0.82 -3.56 0.00 0.00 178.44 176.39 2kpo h ILE 93 N 0.76 1.24 0.60 1.49 2.04 -1.16 -0.67 117.51 121.81 2kpo h ILE 93 Ca 0.42 -0.72 -0.03 0.00 1.00 0.00 0.00 64.86 65.53 2kpo h ILE 93 Cb 0.57 0.37 0.01 0.00 -0.74 0.00 0.00 36.82 37.03 2kpo h ILE 93 CO -0.19 0.30 -0.29 0.50 0.00 0.00 0.00 178.15 178.47 2kpo h LYS 94 N 1.03 -0.78 -0.93 2.37 3.64 -0.46 -2.69 116.57 118.76 2kpo h LYS 94 Ca 0.25 0.05 0.23 0.00 -1.27 0.00 0.00 60.65 59.91 2kpo h LYS 94 Cb 0.16 0.18 -0.13 0.00 -0.41 0.00 0.00 32.23 32.03 2kpo h LYS 94 CO -0.03 -0.49 0.45 0.93 -2.27 0.00 0.00 179.45 178.04 2kpo h GLU 95 N -0.87 0.42 -0.32 1.90 4.39 -0.42 0.12 114.58 119.79 2kpo h GLU 95 Ca -0.08 -0.03 -0.00 0.00 0.34 0.00 0.00 59.36 59.59 2kpo h GLU 95 Cb 0.64 -0.09 -0.02 0.00 -0.10 0.00 0.00 28.75 29.18 2kpo h GLU 95 CO 0.14 0.28 0.20 0.35 -1.16 0.00 0.00 179.01 178.81 2kpo h PHE 96 N 0.43 0.42 -0.51 4.33 -0.00 -1.02 0.68 116.94 121.29 2kpo h PHE 96 Ca 0.59 0.00 -0.10 0.00 -0.00 0.00 0.00 57.97 58.46 2kpo h PHE 96 Cb 1.14 -0.14 -0.02 0.00 -0.00 0.00 0.00 35.95 36.93 2kpo h PHE 96 CO -0.10 0.30 -0.08 0.66 -0.00 0.00 0.00 178.31 179.09 2kpo h SER 97 N 0.42 0.91 -0.98 0.41 4.64 -0.81 -1.30 113.55 116.83 2kpo h SER 97 Ca 0.12 -0.27 0.01 0.00 -0.47 0.00 0.00 61.79 61.17 2kpo h SER 97 Cb 0.00 -0.24 -0.05 0.00 -0.31 0.00 0.00 62.40 61.80 2kpo h SER 97 CO -0.02 1.01 0.65 -0.33 -0.87 0.00 0.00 176.83 177.27 2kpo h GLU 98 N 0.83 1.29 -0.00 4.77 4.39 -0.68 -2.98 114.58 122.20 2kpo h GLU 98 Ca 0.14 -0.08 -0.00 0.00 0.34 0.00 0.00 59.36 59.76 2kpo h GLU 98 Cb 0.60 -0.29 -0.00 0.00 -0.10 0.00 0.00 28.75 28.96 2kpo h GLU 98 CO 0.04 0.86 -0.00 0.93 -1.16 0.00 0.00 179.01 179.67 2kpo h GLU 99 N 1.33 0.01 0.00 2.33 4.39 -0.58 -3.47 114.58 118.60 2kpo h GLU 99 Ca 0.36 -0.00 0.00 0.00 0.34 0.00 0.00 59.36 60.06 2kpo h GLU 99 Cb -0.15 -0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.50 2kpo h GLU 99 CO -0.08 0.34 0.00 0.41 -1.16 0.00 0.00 179.01 178.52 2kpo n GLY 100 N -0.20 1.06 0.00 -3.84 0.00 -0.52 -4.81 105.19 96.89 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 3.63 3.57 -0.02 0.00 -1.26 -4.93 105.19 106.18 2kpo n GLY 101 Ca 0.00 -1.71 -0.41 0.00 0.00 0.00 0.00 46.02 43.90 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 6.60 0.00 1.61 0.01 -1.26 -4.74 113.70 115.92 2kpo s SER 102 Ca 0.00 -1.82 0.29 0.00 1.31 0.00 0.00 55.95 55.73 2kpo s SER 102 Cb 0.00 -2.57 1.26 0.00 0.21 0.00 0.00 66.02 64.92 2kpo s SER 102 CO 0.00 -1.41 1.88 0.00 0.41 0.00 0.00 173.24 174.11 2kpo n LEU 103 N 8.82 0.50 -4.41 2.44 -0.00 -1.26 -4.49 117.00 118.59 2kpo n LEU 103 Ca 0.39 -0.02 -0.44 0.00 -0.00 0.00 0.00 56.01 55.94 2kpo n LEU 103 Cb 0.49 -0.16 0.00 0.00 -0.00 0.00 0.00 43.42 43.75 2kpo n LEU 103 CO 0.70 0.09 1.22 -0.62 -0.00 0.00 0.00 177.39 178.78 2kpo n GLU 104 N -0.89 3.44 -2.41 1.47 4.71 -1.26 -4.98 120.64 120.71 2kpo n GLU 104 Ca 0.15 -4.04 -0.39 0.00 -0.01 0.00 0.00 57.16 52.87 2kpo n GLU 104 Cb 0.27 -2.88 -0.03 0.00 -1.01 0.00 0.00 31.44 27.79 2kpo n GLU 104 CO 0.00 0.00 0.00 -1.01 0.09 0.00 0.00 177.13 176.21 2kpo s HIS 105 N 0.62 2.18 -0.03 -0.32 3.76 -1.26 -4.73 115.29 115.51 2kpo s HIS 105 Ca 0.39 -0.00 0.10 0.00 -0.15 0.00 0.00 55.06 55.39 2kpo s HIS 105 Cb -0.05 -4.50 -0.15 0.00 1.11 0.00 0.00 32.58 29.00 2kpo s HIS 105 CO -0.02 -2.07 0.18 1.58 -0.85 0.00 0.00 174.74 173.56 2kpo n HIS 106 N 10.29 0.00 -2.17 1.40 -0.00 -1.26 -4.37 115.22 119.10 2kpo n HIS 106 Ca 0.16 0.00 -0.32 0.00 -0.00 0.00 0.00 57.72 57.55 2kpo n HIS 106 Cb 0.50 -0.27 -0.05 0.00 -0.00 0.00 0.00 29.99 30.18 2kpo n HIS 106 CO 0.00 0.00 0.00 0.72 -0.00 0.00 0.00 176.34 177.06 2kpo n HIS 107 N -1.93 3.21 0.00 1.57 8.25 -1.26 -4.65 115.22 120.41 2kpo n HIS 107 Ca -0.04 -1.84 0.00 0.00 -0.26 0.00 0.00 57.72 55.58 2kpo n HIS 107 Cb 0.35 -2.61 0.00 0.00 1.12 0.00 0.00 29.99 28.86 2kpo n HIS 107 CO 0.00 0.00 0.00 1.58 0.64 0.00 0.00 176.34 178.56 2kpo n HIS 108 N 12.65 0.00 -2.49 4.41 -0.00 -1.26 -4.83 115.22 123.69 2kpo n HIS 108 Ca 0.46 0.00 -0.38 0.00 -0.00 0.00 0.00 57.72 57.80 2kpo n HIS 108 Cb 0.46 0.00 -0.04 0.00 -0.00 0.00 0.00 29.99 30.41 2kpo n HIS 108 CO 0.00 0.00 0.00 -1.58 -0.00 0.00 0.00 176.34 174.76 2kpo s HIS 109 N 0.00 3.36 0.00 1.57 5.65 -1.26 -5.18 115.29 119.43 2kpo s HIS 109 Ca 0.00 1.66 0.00 0.00 0.25 0.00 0.00 55.06 56.97 2kpo s HIS 109 Cb 0.00 -3.21 0.00 0.00 -1.18 0.00 0.00 32.58 28.19 2kpo s HIS 109 CO 0.00 -0.67 0.46 0.72 -0.65 0.00 0.00 174.74 174.60