#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 3.03 -0.10 -0.89 1.02 0.51 -5.03 118.68 117.22 2kpo s LEU 2 Ca 0.00 -0.12 0.00 0.00 0.02 0.00 0.00 54.13 54.03 2kpo s LEU 2 Cb 0.00 -1.67 0.02 0.00 0.02 0.00 0.00 46.19 44.56 2kpo s LEU 2 CO 0.00 0.29 -0.08 -0.76 0.02 0.00 0.00 176.35 175.82 2kpo s LEU 3 N -0.37 1.22 0.14 1.79 1.43 -1.26 -0.89 118.68 120.75 2kpo s LEU 3 Ca 0.05 -0.28 0.06 0.00 -1.03 0.00 0.00 54.13 52.93 2kpo s LEU 3 Cb -0.12 -0.79 -0.04 0.00 0.03 0.00 0.00 46.19 45.26 2kpo s LEU 3 CO 0.02 -0.10 -0.14 -0.31 0.23 0.00 0.00 176.35 176.06 2kpo s TYR 4 N 1.52 1.48 -0.07 0.29 1.51 0.09 -3.71 117.35 118.46 2kpo s TYR 4 Ca 0.01 -0.57 0.02 0.00 -1.01 0.00 0.00 57.07 55.52 2kpo s TYR 4 Cb -0.13 -0.75 0.01 0.00 -0.11 0.00 0.00 41.96 40.98 2kpo s TYR 4 CO -0.06 0.19 -0.12 0.08 -1.11 0.00 0.00 175.55 174.54 2kpo s VAL 5 N -2.40 1.13 -0.25 0.71 1.01 0.33 -0.75 120.40 120.18 2kpo s VAL 5 Ca 0.13 -0.47 -0.04 0.00 0.00 0.00 0.00 61.98 61.60 2kpo s VAL 5 Cb -0.03 -1.04 0.01 0.00 0.00 0.00 0.00 36.38 35.32 2kpo s VAL 5 CO 0.04 0.36 -0.02 -0.76 0.00 0.00 0.00 175.10 174.72 2kpo s LEU 6 N 0.74 3.27 -0.21 3.92 1.43 0.68 -0.69 118.68 127.82 2kpo s LEU 6 Ca -0.13 -0.67 -0.04 0.00 -1.03 0.00 0.00 54.13 52.25 2kpo s LEU 6 Cb -0.16 -1.75 -0.01 0.00 0.03 0.00 0.00 46.19 44.30 2kpo s LEU 6 CO 0.03 -0.11 -0.02 -0.51 0.23 0.00 0.00 176.35 175.96 2kpo s ILE 7 N 1.42 3.60 -0.42 -0.59 2.07 -0.92 -0.70 121.20 125.67 2kpo s ILE 7 Ca 0.03 -0.42 -0.09 0.00 -1.41 0.00 0.00 60.65 58.75 2kpo s ILE 7 Cb -0.16 -2.64 0.07 0.00 0.13 0.00 0.00 42.46 39.87 2kpo s ILE 7 CO -0.02 0.42 0.26 -0.63 -1.91 0.00 0.00 174.94 173.05 2kpo s ILE 8 N 1.31 4.26 0.06 2.00 1.01 0.52 -0.37 121.20 130.00 2kpo s ILE 8 Ca 0.04 -1.35 -0.27 0.00 0.00 0.00 0.00 60.65 59.07 2kpo s ILE 8 Cb -0.14 -3.59 0.07 0.00 0.01 0.00 0.00 42.46 38.81 2kpo s ILE 8 CO -0.01 -0.48 0.65 -0.55 0.00 0.00 0.00 174.94 174.54 2kpo s SER 9 N 2.07 -0.60 -0.09 3.58 0.15 -1.22 -3.00 113.70 114.60 2kpo s SER 9 Ca 0.03 0.30 0.17 0.00 0.70 0.00 0.00 55.95 57.15 2kpo s SER 9 Cb -0.23 0.57 -0.25 0.00 -1.71 0.00 0.00 66.02 64.40 2kpo s SER 9 CO 0.02 -0.80 0.25 0.59 1.20 0.00 0.00 173.24 174.50 2kpo n ASN 10 N 0.17 0.86 -4.68 5.45 3.02 -1.26 -4.86 115.26 113.96 2kpo n ASN 10 Ca -0.18 0.00 -0.43 0.00 -0.03 0.00 0.00 54.58 53.95 2kpo n ASN 10 Cb 0.62 1.42 -0.02 0.00 -0.61 0.00 0.00 39.78 41.18 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 -4.52 7.16 0.17 6.41 2.15 -1.26 -4.95 116.67 121.82 2kpo s ASP 11 Ca -0.07 1.58 -0.08 0.00 0.43 0.00 0.00 52.55 54.40 2kpo s ASP 11 Cb 0.09 -2.55 0.05 0.00 -0.30 0.00 0.00 42.92 40.20 2kpo s ASP 11 CO 0.72 -0.54 1.54 0.11 -0.17 0.00 0.00 175.17 176.84 2kpo h LYS 12 N 7.31 0.88 -0.01 4.34 6.56 -2.00 -2.80 116.57 130.85 2kpo h LYS 12 Ca -0.29 -0.41 0.02 0.00 -1.06 0.00 0.00 60.65 58.90 2kpo h LYS 12 Cb 1.13 -0.01 -0.02 0.00 -0.57 0.00 0.00 32.23 32.76 2kpo h LYS 12 CO 0.89 1.06 -0.09 0.87 -2.06 0.00 0.00 179.45 180.13 2kpo h LYS 13 N 0.74 -0.14 -0.55 3.15 1.57 -1.99 0.66 116.57 120.01 2kpo h LYS 13 Ca 0.08 0.01 0.05 0.00 -1.87 0.00 0.00 60.65 58.92 2kpo h LYS 13 Cb 0.87 0.03 -0.05 0.00 0.08 0.00 0.00 32.23 33.16 2kpo h LYS 13 CO 0.08 -0.09 0.29 1.25 -0.57 0.00 0.00 179.45 180.41 2kpo h LEU 14 N -0.14 0.43 -0.24 2.94 6.46 -1.94 -0.62 115.31 122.20 2kpo h LEU 14 Ca 0.04 0.03 -0.01 0.00 -0.12 0.00 0.00 57.88 57.81 2kpo h LEU 14 Cb 0.19 -0.06 -0.01 0.00 -0.73 0.00 0.00 40.66 40.05 2kpo h LEU 14 CO -0.10 0.29 0.11 0.40 -0.62 0.00 0.00 178.44 178.52 2kpo h ILE 15 N 0.56 1.16 -0.52 4.05 2.04 -1.19 -2.54 117.51 121.06 2kpo h ILE 15 Ca 0.24 -0.48 -0.10 0.00 1.00 0.00 0.00 64.86 65.53 2kpo h ILE 15 Cb 0.14 1.02 -0.02 0.00 -0.74 0.00 0.00 36.82 37.22 2kpo h ILE 15 CO -0.16 0.16 -0.06 -0.33 0.00 0.00 0.00 178.15 177.76 2kpo h GLU 16 N 0.25 0.96 -0.74 2.37 5.08 -0.58 -2.01 114.58 119.91 2kpo h GLU 16 Ca 0.08 -0.34 0.01 0.00 -1.00 0.00 0.00 59.36 58.11 2kpo h GLU 16 Cb 0.16 -0.07 -0.04 0.00 0.50 0.00 0.00 28.75 29.30 2kpo h GLU 16 CO -0.01 1.00 0.49 0.93 -1.00 0.00 0.00 179.01 180.42 2kpo h GLU 17 N 0.83 0.98 -0.38 2.33 4.39 -1.12 -1.36 114.58 120.25 2kpo h GLU 17 Ca 0.14 -0.06 -0.01 0.00 0.34 0.00 0.00 59.36 59.77 2kpo h GLU 17 Cb 0.61 -0.22 -0.02 0.00 -0.10 0.00 0.00 28.75 29.02 2kpo h GLU 17 CO 0.04 0.66 0.19 0.00 -1.16 0.00 0.00 179.01 178.74 2kpo h ALA 18 N 1.53 0.48 -0.76 3.43 0.00 -1.07 -2.36 119.26 120.51 2kpo h ALA 18 Ca 0.27 -0.09 0.02 0.00 0.00 0.00 0.00 54.91 55.11 2kpo h ALA 18 Cb -0.11 -0.15 -0.04 0.00 0.00 0.00 0.00 17.79 17.49 2kpo h ALA 18 CO -0.06 0.03 0.49 0.00 0.00 0.00 0.00 179.25 179.72 2kpo h ARG 19 N 0.47 0.96 -0.29 0.00 3.08 -0.77 -0.29 114.38 117.55 2kpo h ARG 19 Ca 0.13 -0.06 0.04 0.00 0.07 0.00 0.00 59.98 60.16 2kpo h ARG 19 Cb 0.09 -0.22 -0.04 0.00 0.08 0.00 0.00 29.97 29.89 2kpo h ARG 19 CO -0.02 0.64 0.06 0.87 -1.07 0.00 0.00 179.97 180.44 2kpo h LYS 20 N 0.99 0.16 -0.66 0.04 1.57 -1.09 -0.57 116.57 117.00 2kpo h LYS 20 Ca 0.29 -0.01 -0.07 0.00 -1.87 0.00 0.00 60.65 58.99 2kpo h LYS 20 Cb -0.06 -0.04 -0.03 0.00 0.08 0.00 0.00 32.23 32.19 2kpo h LYS 20 CO -0.08 0.10 0.16 0.52 -0.57 0.00 0.00 179.45 179.58 2kpo h MET 21 N 0.16 1.05 -0.56 3.15 2.86 -1.11 -2.19 114.93 118.29 2kpo h MET 21 Ca 0.13 -0.25 0.03 0.00 -2.06 0.00 0.00 59.70 57.56 2kpo h MET 21 Cb 0.14 -0.14 -0.04 0.00 0.06 0.00 0.00 31.60 31.62 2kpo h MET 21 CO -0.18 0.94 0.33 0.00 1.06 0.00 0.00 176.91 179.06 2kpo h ALA 22 N 1.16 0.73 -0.71 6.32 0.00 -0.52 -0.98 119.26 125.27 2kpo h ALA 22 Ca 0.21 -0.01 0.02 0.00 0.00 0.00 0.00 54.91 55.13 2kpo h ALA 22 Cb 0.36 -0.15 -0.04 0.00 0.00 0.00 0.00 17.79 17.96 2kpo h ALA 22 CO 0.00 0.04 0.46 0.93 0.00 0.00 0.00 179.25 180.68 2kpo h GLU 23 N 0.65 0.90 -0.83 0.00 4.39 -0.92 0.54 114.58 119.32 2kpo h GLU 23 Ca 0.23 -0.05 0.04 0.00 0.34 0.00 0.00 59.36 59.91 2kpo h GLU 23 Cb 0.05 -0.20 -0.05 0.00 -0.10 0.00 0.00 28.75 28.45 2kpo h GLU 23 CO -0.11 0.59 0.54 0.87 -1.16 0.00 0.00 179.01 179.75 2kpo h LYS 24 N 0.93 0.99 -0.04 2.33 1.79 -0.75 -2.28 116.57 119.53 2kpo h LYS 24 Ca 0.27 -0.06 0.00 0.00 -2.18 0.00 0.00 60.65 58.68 2kpo h LYS 24 Cb -0.07 -0.22 0.00 0.00 -1.58 0.00 0.00 32.23 30.36 2kpo h LYS 24 CO -0.07 0.65 0.00 0.00 -1.08 0.00 0.00 179.45 178.95 2kpo n ALA 25 N -2.41 2.51 -1.60 3.86 0.00 -0.43 -4.94 120.51 117.49 2kpo n ALA 25 Ca 0.11 -0.60 -0.17 0.00 0.00 0.00 0.00 53.44 52.78 2kpo n ALA 25 Cb 0.12 -0.96 -0.07 0.00 0.00 0.00 0.00 19.45 18.54 2kpo n ALA 25 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 2kpo n ASN 26 N 0.85 -5.07 -4.87 0.00 2.85 0.16 -4.99 115.26 104.19 2kpo n ASN 26 Ca 0.16 0.37 -0.31 0.00 -0.11 0.00 0.00 54.58 54.70 2kpo n ASN 26 Cb 0.49 -4.10 -0.04 0.00 1.24 0.00 0.00 39.78 37.38 2kpo n ASN 26 CO 0.00 0.00 0.00 -0.76 -2.11 0.00 0.00 177.26 174.39 2kpo s LEU 27 N -4.05 3.84 -0.12 1.20 1.43 0.71 -4.97 118.68 116.72 2kpo s LEU 27 Ca 0.00 1.19 -0.11 0.00 -1.03 0.00 0.00 54.13 54.18 2kpo s LEU 27 Cb 0.00 -4.06 -0.05 0.00 0.03 0.00 0.00 46.19 42.11 2kpo s LEU 27 CO 0.00 -0.39 0.24 -0.70 0.23 0.00 0.00 176.35 175.73 2kpo s GLU 28 N -3.76 3.91 -0.09 1.70 -6.30 -1.24 -4.43 118.70 108.49 2kpo s GLU 28 Ca 0.52 0.03 0.00 0.00 -2.50 0.00 0.00 54.97 53.03 2kpo s GLU 28 Cb -0.10 -3.31 0.02 0.00 0.00 0.00 0.00 34.13 30.74 2kpo s GLU 28 CO 0.30 0.51 -0.07 -1.17 0.02 0.00 0.00 175.26 174.85 2kpo s LEU 29 N -0.34 1.17 -0.17 2.70 0.20 -1.26 -0.51 118.68 120.47 2kpo s LEU 29 Ca 0.16 -0.24 -0.06 0.00 0.69 0.00 0.00 54.13 54.67 2kpo s LEU 29 Cb -0.13 -0.72 -0.04 0.00 -0.43 0.00 0.00 46.19 44.87 2kpo s LEU 29 CO 0.05 -0.10 0.04 -0.13 -0.29 0.00 0.00 176.35 175.92 2kpo s ARG 30 N 1.49 3.87 -0.07 1.98 1.81 0.14 -4.98 118.95 123.19 2kpo s ARG 30 Ca -0.00 -0.38 -0.27 0.00 -1.72 0.00 0.00 55.73 53.37 2kpo s ARG 30 Cb -0.13 -3.14 -0.03 0.00 -0.45 0.00 0.00 34.95 31.20 2kpo s ARG 30 CO -0.05 0.30 0.85 0.95 -0.68 0.00 0.00 175.30 176.67 2kpo s THR 31 N 0.29 4.92 0.03 0.02 -4.23 -1.26 -2.16 115.64 113.25 2kpo s THR 31 Ca 0.02 1.75 0.09 0.00 -1.18 0.00 0.00 61.69 62.37 2kpo s THR 31 Cb -0.13 -4.18 -0.03 0.00 1.34 0.00 0.00 72.50 69.50 2kpo s THR 31 CO 0.01 0.14 -0.25 -0.69 -0.54 0.00 0.00 174.62 173.29 2kpo s VAL 32 N 1.31 2.25 0.00 2.29 1.01 0.50 -4.94 120.40 122.82 2kpo s VAL 32 Ca 0.44 -1.30 0.00 0.00 0.00 0.00 0.00 61.98 61.11 2kpo s VAL 32 Cb -0.19 -1.87 0.00 0.00 0.00 0.00 0.00 36.38 34.32 2kpo s VAL 32 CO 0.20 0.40 0.00 0.29 0.00 0.00 0.00 175.10 175.99 2kpo n LYS 33 N 1.85 0.00 -3.80 2.72 5.02 -1.26 -3.41 118.16 119.29 2kpo n LYS 33 Ca -0.17 0.00 -0.22 0.00 -2.02 0.00 0.00 58.31 55.91 2kpo n LYS 33 Cb 0.52 -0.62 -0.04 0.00 -0.02 0.00 0.00 35.03 34.87 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 -1.84 3.03 0.15 -0.18 -4.23 -1.26 -4.95 115.64 106.36 2kpo s THR 34 Ca 0.00 -1.44 -0.16 0.00 -1.18 0.00 0.00 61.69 58.90 2kpo s THR 34 Cb 0.00 -3.06 0.01 0.00 1.34 0.00 0.00 72.50 70.79 2kpo s THR 34 CO 0.00 -0.10 1.81 -0.08 -0.54 0.00 0.00 174.62 175.71 2kpo h GLU 35 N 1.23 0.48 -0.33 3.99 4.81 -2.00 -2.61 114.58 120.16 2kpo h GLU 35 Ca -0.43 -0.03 0.01 0.00 -0.13 0.00 0.00 59.36 58.78 2kpo h GLU 35 Cb 1.26 -0.11 -0.02 0.00 0.63 0.00 0.00 28.75 30.51 2kpo h GLU 35 CO 0.60 0.32 0.22 -0.44 -0.73 0.00 0.00 179.01 178.98 2kpo h ASP 36 N 0.50 0.37 -0.02 1.04 3.32 -1.98 -0.13 116.42 119.52 2kpo h ASP 36 Ca 0.15 -0.01 -0.01 0.00 0.02 0.00 0.00 57.03 57.18 2kpo h ASP 36 Cb -0.03 -0.09 -0.00 0.00 0.22 0.00 0.00 39.33 39.43 2kpo h ASP 36 CO -0.05 0.27 -0.02 -0.33 -1.72 0.00 0.00 179.24 177.39 2kpo h GLU 37 N 0.44 0.05 -0.43 3.56 5.08 -1.91 0.29 114.58 121.66 2kpo h GLU 37 Ca 0.12 -0.03 0.08 0.00 -1.00 0.00 0.00 59.36 58.54 2kpo h GLU 37 Cb -0.03 0.00 -0.07 0.00 0.50 0.00 0.00 28.75 29.15 2kpo h GLU 37 CO -0.03 0.54 -0.04 1.25 -1.00 0.00 0.00 179.01 179.73 2kpo h LEU 38 N -0.43 -0.25 -0.41 1.33 7.12 -1.11 -0.75 115.31 120.80 2kpo h LEU 38 Ca 0.00 0.11 0.06 0.00 0.13 0.00 0.00 57.88 58.18 2kpo h LEU 38 Cb 0.53 0.21 -0.05 0.00 -0.53 0.00 0.00 40.66 40.81 2kpo h LEU 38 CO 0.01 -0.08 0.10 0.50 -0.13 0.00 0.00 178.44 178.83 2kpo h LYS 39 N 0.07 0.23 -0.38 1.25 3.64 -1.01 -2.48 116.57 117.89 2kpo h LYS 39 Ca 0.21 -0.01 0.07 0.00 -1.27 0.00 0.00 60.65 59.65 2kpo h LYS 39 Cb 0.31 -0.05 -0.06 0.00 -0.41 0.00 0.00 32.23 32.02 2kpo h LYS 39 CO -0.38 0.15 -0.00 -0.22 -2.27 0.00 0.00 179.45 176.73 2kpo h LYS 40 N 0.24 0.10 -0.58 1.90 3.64 0.97 -1.14 116.57 121.70 2kpo h LYS 40 Ca 0.20 -0.01 -0.11 0.00 -1.27 0.00 0.00 60.65 59.46 2kpo h LYS 40 Cb 0.23 -0.02 -0.02 0.00 -0.41 0.00 0.00 32.23 32.00 2kpo h LYS 40 CO -0.24 0.07 -0.05 1.88 -2.27 0.00 0.00 179.45 178.83 2kpo h TYR 41 N 0.10 1.17 -0.96 1.91 0.05 -1.18 -2.98 116.97 115.09 2kpo h TYR 41 Ca 0.19 -0.22 0.01 0.00 0.05 0.00 0.00 58.73 58.76 2kpo h TYR 41 Cb 0.26 -0.30 -0.05 0.00 1.01 0.00 0.00 36.73 37.66 2kpo h TYR 41 CO -0.26 1.05 0.63 -0.07 -1.05 0.00 0.00 178.16 178.46 2kpo h LEU 42 N 0.95 1.10 -0.96 3.88 3.38 -0.92 -1.40 115.31 121.34 2kpo h LEU 42 Ca 0.16 -0.03 0.15 0.00 0.09 0.00 0.00 57.88 58.25 2kpo h LEU 42 Cb 0.62 -0.27 -0.10 0.00 0.09 0.00 0.00 40.66 41.00 2kpo h LEU 42 CO 0.04 0.79 0.57 -0.33 0.09 0.00 0.00 178.44 179.60 2kpo h GLU 43 N 1.30 0.78 0.01 1.13 5.08 -1.07 -0.99 114.58 120.82 2kpo h GLU 43 Ca 0.35 -0.05 -0.00 0.00 -1.00 0.00 0.00 59.36 58.66 2kpo h GLU 43 Cb -0.15 -0.18 0.00 0.00 0.50 0.00 0.00 28.75 28.93 2kpo h GLU 43 CO -0.08 0.51 -0.00 1.49 -1.00 0.00 0.00 179.01 179.93 2kpo h GLU 44 N 0.80 -0.01 -0.30 2.33 4.81 -1.43 -3.32 114.58 117.47 2kpo h GLU 44 Ca 0.52 0.00 0.09 0.00 -0.13 0.00 0.00 59.36 59.83 2kpo h GLU 44 Cb 0.69 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 30.06 2kpo h GLU 44 CO -0.34 0.55 0.23 0.74 -0.73 0.00 0.00 179.01 179.46 2kpo h PHE 45 N -0.58 0.00 -0.19 0.92 0.05 -0.53 -0.99 116.94 115.62 2kpo h PHE 45 Ca -0.00 0.00 0.06 0.00 3.82 0.00 0.00 57.97 61.84 2kpo h PHE 45 Cb 0.56 0.00 -0.01 0.00 2.00 0.00 0.00 35.95 38.51 2kpo h PHE 45 CO 0.12 0.00 0.17 0.00 -0.18 0.00 0.00 178.31 178.42 2kpo h ARG 46 N 0.00 0.00 -0.31 1.51 3.08 -1.30 0.12 114.38 117.48 2kpo h ARG 46 Ca 0.14 0.00 -0.08 0.00 0.07 0.00 0.00 59.98 60.11 2kpo h ARG 46 Cb 0.59 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.63 2kpo h ARG 46 CO -0.00 0.00 -0.16 0.87 -1.07 0.00 0.00 179.97 179.61 2kpo h LYS 47 N 0.00 0.54 -0.34 0.04 1.57 -1.37 -2.54 116.57 114.47 2kpo h LYS 47 Ca 0.09 -0.18 0.00 0.00 -1.87 0.00 0.00 60.65 58.69 2kpo h LYS 47 Cb 0.43 -0.05 0.00 0.00 0.08 0.00 0.00 32.23 32.69 2kpo h LYS 47 CO -0.00 0.69 0.00 0.39 -0.57 0.00 0.00 179.45 179.96 2kpo n GLU 48 N -4.17 1.92 0.25 3.15 4.71 0.35 -4.49 120.64 122.36 2kpo n GLU 48 Ca 0.00 -1.41 0.11 0.00 -0.01 0.00 0.00 57.16 55.85 2kpo n GLU 48 Cb 0.36 -1.35 0.56 0.00 -1.01 0.00 0.00 31.44 30.00 2kpo n GLU 48 CO 0.00 0.00 0.00 1.03 0.09 0.00 0.00 177.13 178.25 2kpo h SER 49 N 2.45 0.00 -0.91 1.62 0.87 -0.95 -1.98 113.55 114.65 2kpo h SER 49 Ca 0.00 0.00 0.02 0.00 -1.23 0.00 0.00 61.79 60.58 2kpo h SER 49 Cb 0.55 0.00 -0.05 0.00 -0.44 0.00 0.00 62.40 62.46 2kpo h SER 49 CO 0.00 0.00 0.60 1.56 -0.53 0.00 0.00 176.83 178.46 2kpo h GLN 50 N 0.00 1.15 -0.07 2.24 4.20 -1.84 -3.36 115.11 117.44 2kpo h GLN 50 Ca 0.00 -0.07 -0.18 0.00 0.06 0.00 0.00 58.65 58.47 2kpo h GLN 50 Cb 0.65 -0.26 -0.30 0.00 0.30 0.00 0.00 27.48 27.87 2kpo h GLN 50 CO 0.00 0.76 -0.79 0.09 -0.67 0.00 0.00 178.83 178.22 2kpo n ASN 51 N -4.49 0.34 -4.79 1.46 3.02 -0.78 -5.10 115.26 104.93 2kpo n ASN 51 Ca 0.11 -2.02 -0.35 0.00 -0.03 0.00 0.00 54.58 52.29 2kpo n ASN 51 Cb 0.06 -0.08 -0.07 0.00 -0.61 0.00 0.00 39.78 39.07 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 -0.59 4.88 -0.05 2.41 2.07 -0.99 -0.37 121.20 128.56 2kpo s ILE 52 Ca 0.22 -0.14 0.05 0.00 -1.41 0.00 0.00 60.65 59.37 2kpo s ILE 52 Cb 0.28 -3.14 -0.01 0.00 0.13 0.00 0.00 42.46 39.72 2kpo s ILE 52 CO -0.10 0.52 -0.22 -0.54 -1.91 0.00 0.00 174.94 172.70 2kpo s LYS 53 N -1.23 2.21 -0.21 3.50 1.02 -0.06 -4.33 119.74 120.64 2kpo s LYS 53 Ca 0.17 -0.77 0.02 0.00 0.02 0.00 0.00 55.97 55.40 2kpo s LYS 53 Cb -0.12 -1.89 0.04 0.00 -0.52 0.00 0.00 37.83 35.34 2kpo s LYS 53 CO 0.07 0.32 -0.15 0.08 -0.92 0.00 0.00 175.35 174.75 2kpo s VAL 54 N -0.07 1.99 -0.27 3.17 1.01 0.33 -0.73 120.40 125.82 2kpo s VAL 54 Ca -0.04 -1.15 -0.20 0.00 0.00 0.00 0.00 61.98 60.60 2kpo s VAL 54 Cb -0.13 -1.94 -0.02 0.00 0.00 0.00 0.00 36.38 34.29 2kpo s VAL 54 CO 0.03 0.29 0.60 -0.22 0.00 0.00 0.00 175.10 175.80 2kpo s LEU 55 N 1.26 4.09 -0.24 3.92 2.96 0.07 -0.61 118.68 130.14 2kpo s LEU 55 Ca -0.00 0.55 -0.06 0.00 -0.22 0.00 0.00 54.13 54.40 2kpo s LEU 55 Cb -0.16 -2.78 -0.01 0.00 0.50 0.00 0.00 46.19 43.74 2kpo s LEU 55 CO -0.10 -0.38 0.02 -0.63 -1.32 0.00 0.00 176.35 173.94 2kpo s ILE 56 N 2.48 3.81 -0.24 6.68 1.01 -0.44 -0.23 121.20 134.27 2kpo s ILE 56 Ca 0.24 -0.39 -0.07 0.00 0.00 0.00 0.00 60.65 60.43 2kpo s ILE 56 Cb -0.15 -2.78 -0.03 0.00 0.01 0.00 0.00 42.46 39.51 2kpo s ILE 56 CO 0.10 0.35 0.06 -0.76 0.00 0.00 0.00 174.94 174.69 2kpo s LEU 57 N 1.53 3.42 0.16 2.97 2.01 0.12 -0.79 118.68 128.11 2kpo s LEU 57 Ca 0.06 -0.20 0.10 0.00 0.01 0.00 0.00 54.13 54.09 2kpo s LEU 57 Cb -0.15 -1.91 -0.04 0.00 0.01 0.00 0.00 46.19 44.10 2kpo s LEU 57 CO 0.00 -0.02 -0.19 0.68 1.01 0.00 0.00 176.35 177.83 2kpo s VAL 58 N 1.53 2.71 -0.13 -1.59 -7.23 -0.51 -0.36 120.40 114.83 2kpo s VAL 58 Ca 0.06 -1.77 -0.19 0.00 -1.81 0.00 0.00 61.98 58.27 2kpo s VAL 58 Cb -0.15 -2.29 -0.17 0.00 0.56 0.00 0.00 36.38 34.32 2kpo s VAL 58 CO 0.03 -0.04 0.51 0.77 -0.31 0.00 0.00 175.10 176.06 2kpo h SER 59 N 3.31 0.00 -2.52 4.85 4.64 -1.76 0.58 113.55 122.64 2kpo h SER 59 Ca -0.48 -0.67 -0.55 0.00 -0.47 0.00 0.00 61.79 59.63 2kpo h SER 59 Cb 1.19 0.00 -0.07 0.00 -0.31 0.00 0.00 62.40 63.22 2kpo h SER 59 CO 0.48 0.84 -0.56 0.20 -0.87 0.00 0.00 176.83 176.92 2kpo s ASN 60 N -6.00 5.43 0.36 4.97 0.01 -1.26 -4.52 114.94 113.92 2kpo s ASN 60 Ca -0.13 -0.21 0.03 0.00 -0.71 0.00 0.00 52.86 51.84 2kpo s ASN 60 Cb -0.02 -1.37 0.68 0.00 0.41 0.00 0.00 41.25 40.94 2kpo s ASN 60 CO 0.46 0.03 2.01 -2.24 -1.51 0.00 0.00 177.10 175.86 2kpo h ASP 61 N 2.10 0.69 -0.20 -1.22 2.03 -1.99 0.56 116.42 118.39 2kpo h ASP 61 Ca -0.48 -0.02 0.05 0.00 -0.73 0.00 0.00 57.03 55.86 2kpo h ASP 61 Cb 1.22 -0.17 -0.06 0.00 -0.83 0.00 0.00 39.33 39.49 2kpo h ASP 61 CO 0.62 0.49 -0.17 -0.08 -1.03 0.00 0.00 179.24 179.07 2kpo h GLU 62 N 0.81 -0.18 -0.69 4.15 4.57 -2.00 -1.10 114.58 120.14 2kpo h GLU 62 Ca 0.23 0.01 -0.01 0.00 -1.18 0.00 0.00 59.36 58.41 2kpo h GLU 62 Cb -0.06 0.04 -0.03 0.00 -0.16 0.00 0.00 28.75 28.54 2kpo h GLU 62 CO -0.05 -0.12 0.38 0.93 -1.18 0.00 0.00 179.01 178.97 2kpo h GLU 63 N -0.18 0.95 0.09 1.92 4.39 -1.72 -2.40 114.58 117.62 2kpo h GLU 63 Ca 0.12 -0.10 0.01 0.00 0.34 0.00 0.00 59.36 59.74 2kpo h GLU 63 Cb 0.36 -0.19 -0.02 0.00 -0.10 0.00 0.00 28.75 28.80 2kpo h GLU 63 CO -0.31 0.69 -0.15 1.25 -1.16 0.00 0.00 179.01 179.33 2kpo h LEU 64 N 0.96 -0.41 -0.58 1.33 5.85 -0.28 -0.96 115.31 121.22 2kpo h LEU 64 Ca 0.24 0.05 -0.03 0.00 0.84 0.00 0.00 57.88 58.98 2kpo h LEU 64 Cb 0.01 0.16 -0.03 0.00 0.37 0.00 0.00 40.66 41.17 2kpo h LEU 64 CO -0.04 -0.22 0.24 -0.78 -0.34 0.00 0.00 178.44 177.30 2kpo h ASP 65 N -0.29 0.80 -0.57 1.25 1.82 -1.02 -1.78 116.42 116.62 2kpo h ASP 65 Ca 0.02 -0.17 0.05 0.00 -0.39 0.00 0.00 57.03 56.55 2kpo h ASP 65 Cb 0.31 -0.21 -0.05 0.00 0.68 0.00 0.00 39.33 40.06 2kpo h ASP 65 CO -0.08 0.75 0.29 0.11 -1.61 0.00 0.00 179.24 178.70 2kpo h LYS 66 N 0.80 0.54 0.21 0.28 1.79 -1.28 0.05 116.57 118.96 2kpo h LYS 66 Ca 0.19 -0.03 -0.01 0.00 -2.18 0.00 0.00 60.65 58.62 2kpo h LYS 66 Cb 0.19 -0.12 0.00 0.00 -1.58 0.00 0.00 32.23 30.72 2kpo h LYS 66 CO -0.02 0.36 -0.10 0.00 -1.08 0.00 0.00 179.45 178.61 2kpo h ALA 67 N 1.31 -0.28 -0.67 3.86 0.00 -0.79 -2.03 119.26 120.66 2kpo h ALA 67 Ca 0.25 -0.09 -0.07 0.00 0.00 0.00 0.00 54.91 55.01 2kpo h ALA 67 Cb 0.17 0.11 -0.03 0.00 0.00 0.00 0.00 17.79 18.04 2kpo h ALA 67 CO -0.18 -0.62 0.16 1.57 0.00 0.00 0.00 179.25 180.18 2kpo h LYS 68 N -0.35 1.06 -0.65 0.00 2.10 -1.18 -1.23 116.57 116.32 2kpo h LYS 68 Ca -0.03 -0.25 -0.04 0.00 -2.00 0.00 0.00 60.65 58.34 2kpo h LYS 68 Cb 0.27 -0.14 -0.03 0.00 -0.90 0.00 0.00 32.23 31.43 2kpo h LYS 68 CO 0.05 0.94 0.26 0.93 -2.00 0.00 0.00 179.45 179.62 2kpo h GLU 69 N 1.01 0.97 0.48 0.07 4.39 -0.93 -0.90 114.58 119.67 2kpo h GLU 69 Ca 0.21 -0.18 -0.02 0.00 0.34 0.00 0.00 59.36 59.71 2kpo h GLU 69 Cb 0.36 -0.16 0.00 0.00 -0.10 0.00 0.00 28.75 28.86 2kpo h GLU 69 CO 0.00 0.82 -0.23 -0.07 -1.16 0.00 0.00 179.01 178.37 2kpo h LEU 70 N 0.91 -0.55 -0.67 1.33 3.38 -1.21 -2.67 115.31 115.84 2kpo h LEU 70 Ca 0.22 -0.04 0.11 0.00 0.09 0.00 0.00 57.88 58.26 2kpo h LEU 70 Cb 0.21 0.14 -0.08 0.00 0.09 0.00 0.00 40.66 41.02 2kpo h LEU 70 CO -0.02 -0.31 0.27 0.00 0.09 0.00 0.00 178.44 178.47 2kpo h ALA 71 N -0.29 0.90 -0.33 1.53 0.00 -1.09 0.17 119.26 120.14 2kpo h ALA 71 Ca -0.07 0.09 -0.00 0.00 0.00 0.00 0.00 54.91 54.93 2kpo h ALA 71 Cb 0.55 0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.37 2kpo h ALA 71 CO 0.11 -0.17 0.19 1.96 0.00 0.00 0.00 179.25 181.34 2kpo h GLN 72 N 0.45 0.46 0.00 0.00 4.20 -1.21 -0.34 115.11 118.67 2kpo h GLN 72 Ca 0.35 -0.05 -0.05 0.00 0.06 0.00 0.00 58.65 58.96 2kpo h GLN 72 Cb 0.45 -0.09 -0.01 0.00 0.30 0.00 0.00 27.48 28.13 2kpo h GLN 72 CO -0.33 0.36 -0.23 0.87 -0.67 0.00 0.00 178.83 178.83 2kpo h LYS 73 N 0.42 0.00 -0.00 1.46 1.57 -0.96 -2.54 116.57 116.52 2kpo h LYS 73 Ca 0.12 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.90 2kpo h LYS 73 Cb 0.03 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.34 2kpo h LYS 73 CO -0.02 0.23 -0.44 -1.33 -0.57 0.00 0.00 179.45 177.32 2kpo n MET 74 N -3.49 0.10 -3.16 3.15 2.81 0.51 -5.01 117.12 112.03 2kpo n MET 74 Ca -0.00 -0.05 -0.04 0.00 -1.81 0.00 0.00 57.70 55.79 2kpo n MET 74 Cb 0.39 -1.50 0.00 0.00 -0.71 0.00 0.00 33.22 31.41 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 -1.40 -1.38 -4.03 0.03 1.02 -0.17 -4.93 120.64 109.78 2kpo n GLU 75 Ca 0.06 1.38 -0.11 0.00 -0.02 0.00 0.00 57.16 58.47 2kpo n GLU 75 Cb 0.34 -5.36 -0.11 0.00 -0.02 0.00 0.00 31.44 26.28 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 -3.02 0.37 -0.48 -3.67 1.01 -1.16 -4.97 121.20 109.28 2kpo s ILE 76 Ca 0.02 -1.01 -0.28 0.00 0.00 0.00 0.00 60.65 59.38 2kpo s ILE 76 Cb -0.00 -0.47 0.00 0.00 0.01 0.00 0.00 42.46 42.00 2kpo s ILE 76 CO 0.77 -0.43 1.55 -0.62 0.00 0.00 0.00 174.94 176.22 2kpo s ASP 77 N -1.52 6.02 0.24 3.58 2.15 -1.26 -4.82 116.67 121.05 2kpo s ASP 77 Ca -0.12 0.65 0.05 0.00 0.43 0.00 0.00 52.55 53.56 2kpo s ASP 77 Cb -0.10 -2.54 -0.05 0.00 -0.30 0.00 0.00 42.92 39.93 2kpo s ASP 77 CO -0.00 -1.73 -0.05 0.68 -0.17 0.00 0.00 175.17 173.90 2kpo s VAL 78 N 6.48 1.37 -0.30 1.11 -7.23 -1.26 -0.52 120.40 120.05 2kpo s VAL 78 Ca 0.63 -2.09 -0.03 0.00 -1.81 0.00 0.00 61.98 58.67 2kpo s VAL 78 Cb -0.14 -2.28 0.10 0.00 0.56 0.00 0.00 36.38 34.62 2kpo s VAL 78 CO 0.28 -0.40 0.12 -0.13 -0.31 0.00 0.00 175.10 174.66 2kpo s ARG 79 N -3.77 0.36 -0.14 4.82 0.52 0.22 -4.89 118.95 116.07 2kpo s ARG 79 Ca 0.27 -0.72 -0.27 0.00 -0.52 0.00 0.00 55.73 54.49 2kpo s ARG 79 Cb 0.04 -1.42 -0.01 0.00 0.52 0.00 0.00 34.95 34.07 2kpo s ARG 79 CO 0.09 -1.01 0.90 0.95 0.02 0.00 0.00 175.30 176.24 2kpo s THR 80 N 1.93 4.85 -0.01 0.02 -4.23 -1.26 -1.32 115.64 115.61 2kpo s THR 80 Ca 0.09 1.79 0.02 0.00 -1.18 0.00 0.00 61.69 62.42 2kpo s THR 80 Cb -0.17 -4.20 -0.00 0.00 1.34 0.00 0.00 72.50 69.47 2kpo s THR 80 CO -0.33 0.03 -0.07 -0.13 -0.54 0.00 0.00 174.62 173.58 2kpo s ARG 81 N 2.03 0.59 -0.09 3.99 1.81 0.03 -4.97 118.95 122.34 2kpo s ARG 81 Ca 0.42 -0.25 -0.19 0.00 -1.72 0.00 0.00 55.73 54.00 2kpo s ARG 81 Cb -0.17 -0.57 -0.04 0.00 -0.45 0.00 0.00 34.95 33.71 2kpo s ARG 81 CO 0.15 0.14 0.50 0.21 -0.68 0.00 0.00 175.30 175.63 2kpo s LYS 82 N -0.12 4.31 -0.09 3.54 2.20 -1.26 -1.43 119.74 126.90 2kpo s LYS 82 Ca 0.02 0.52 0.02 0.00 -0.36 0.00 0.00 55.97 56.17 2kpo s LYS 82 Cb -0.03 -3.41 -0.02 0.00 -1.51 0.00 0.00 37.83 32.86 2kpo s LYS 82 CO -0.00 0.22 -0.13 0.14 -0.36 0.00 0.00 175.35 175.21 2kpo s VAL 83 N 0.40 3.08 -0.79 4.02 -7.23 0.19 -4.92 120.40 115.16 2kpo s VAL 83 Ca 0.27 -0.69 0.11 0.00 -1.81 0.00 0.00 61.98 59.87 2kpo s VAL 83 Cb -0.16 -2.25 -0.06 0.00 0.56 0.00 0.00 36.38 34.48 2kpo s VAL 83 CO 0.12 0.56 0.57 0.35 -0.31 0.00 0.00 175.10 176.39 2kpo n THR 84 N 2.87 0.00 -3.67 5.32 -2.24 -1.26 -4.50 114.28 110.79 2kpo n THR 84 Ca -0.18 -0.32 -0.11 0.00 -2.27 0.00 0.00 64.05 61.17 2kpo n THR 84 Cb 0.52 1.07 -0.06 0.00 -2.10 0.00 0.00 70.33 69.77 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 -1.72 -0.22 0.27 3.42 0.01 -1.26 -5.05 113.70 109.14 2kpo s SER 85 Ca 0.07 -0.19 -0.00 0.00 1.31 0.00 0.00 55.95 57.13 2kpo s SER 85 Cb 0.09 0.43 0.52 0.00 0.21 0.00 0.00 66.02 67.27 2kpo s SER 85 CO 0.36 -0.74 1.81 1.55 0.41 0.00 0.00 173.24 176.62 2kpo h PRO 86 N 2.75 0.81 0.00 12.44 0.13 -1.95 -1.06 132.00 145.13 2kpo h PRO 86 Ca -0.33 -0.05 -0.02 0.00 -0.87 0.00 0.00 66.00 64.73 2kpo h PRO 86 Cb 1.22 -0.18 -0.00 0.00 0.13 0.00 0.00 31.00 32.17 2kpo h PRO 86 CO 0.46 0.54 -0.10 -0.44 -0.23 0.00 0.00 178.00 178.22 2kpo h ASP 87 N 0.84 0.00 0.75 1.44 5.19 -1.97 -1.90 116.42 120.77 2kpo h ASP 87 Ca 0.47 0.00 -0.03 0.00 -0.62 0.00 0.00 57.03 56.85 2kpo h ASP 87 Cb 0.53 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.04 2kpo h ASP 87 CO -0.29 0.10 -0.41 -0.33 -3.12 0.00 0.00 179.24 175.19 2kpo h GLU 88 N 0.00 -1.03 -0.81 3.56 4.39 -1.60 0.16 114.58 119.25 2kpo h GLU 88 Ca -0.00 0.07 0.08 0.00 0.34 0.00 0.00 59.36 59.85 2kpo h GLU 88 Cb 0.27 0.23 -0.07 0.00 -0.10 0.00 0.00 28.75 29.09 2kpo h GLU 88 CO 0.01 -0.69 0.47 0.00 -1.16 0.00 0.00 179.01 177.65 2kpo h ALA 89 N -0.87 1.13 -0.58 3.43 0.00 -1.51 0.07 119.26 120.94 2kpo h ALA 89 Ca -0.10 0.02 0.07 0.00 0.00 0.00 0.00 54.91 54.90 2kpo h ALA 89 Cb 0.84 -0.16 -0.06 0.00 0.00 0.00 0.00 17.79 18.42 2kpo h ALA 89 CO 0.14 0.14 0.26 0.87 0.00 0.00 0.00 179.25 180.65 2kpo h LYS 90 N 0.82 0.47 -0.27 0.00 1.57 -1.22 -1.46 116.57 116.48 2kpo h LYS 90 Ca 0.38 -0.03 -0.07 0.00 -1.87 0.00 0.00 60.65 59.05 2kpo h LYS 90 Cb 0.29 -0.11 -0.01 0.00 0.08 0.00 0.00 32.23 32.48 2kpo h LYS 90 CO -0.22 0.31 -0.12 -0.09 -0.57 0.00 0.00 179.45 178.76 2kpo h ARG 91 N 0.48 0.56 -0.47 3.15 2.43 0.04 -2.53 114.38 118.04 2kpo h ARG 91 Ca 0.28 -0.24 -0.00 0.00 -0.81 0.00 0.00 59.98 59.21 2kpo h ARG 91 Cb 0.27 -0.02 -0.02 0.00 -0.42 0.00 0.00 29.97 29.78 2kpo h ARG 91 CO -0.24 0.80 0.29 -1.49 -1.51 0.00 0.00 179.97 177.83 2kpo h TRP 92 N 0.30 0.62 -0.86 2.20 4.06 -0.79 0.09 115.95 121.57 2kpo h TRP 92 Ca 0.06 0.00 -0.02 0.00 2.06 0.00 0.00 58.89 60.99 2kpo h TRP 92 Cb 0.63 -0.20 -0.04 0.00 -1.00 0.00 0.00 29.16 28.55 2kpo h TRP 92 CO 0.06 0.43 0.46 0.82 -3.56 0.00 0.00 178.44 176.65 2kpo h ILE 93 N 0.63 1.25 0.55 1.49 2.04 -1.31 0.44 117.51 122.61 2kpo h ILE 93 Ca 0.17 -0.63 -0.02 0.00 1.00 0.00 0.00 64.86 65.38 2kpo h ILE 93 Cb -0.01 0.10 -0.00 0.00 -0.74 0.00 0.00 36.82 36.16 2kpo h ILE 93 CO -0.03 0.28 -0.32 0.50 0.00 0.00 0.00 178.15 178.58 2kpo h LYS 94 N 1.20 -0.79 -0.73 2.37 3.64 -0.97 -1.36 116.57 119.93 2kpo h LYS 94 Ca 0.30 0.05 0.06 0.00 -1.27 0.00 0.00 60.65 59.80 2kpo h LYS 94 Cb 0.04 0.18 -0.06 0.00 -0.41 0.00 0.00 32.23 31.98 2kpo h LYS 94 CO -0.05 -0.53 0.43 0.93 -2.27 0.00 0.00 179.45 177.96 2kpo h GLU 95 N -0.82 0.76 -0.96 1.90 4.39 -0.82 -1.24 114.58 117.78 2kpo h GLU 95 Ca -0.07 -0.05 0.03 0.00 0.34 0.00 0.00 59.36 59.61 2kpo h GLU 95 Cb 0.66 -0.17 -0.05 0.00 -0.10 0.00 0.00 28.75 29.09 2kpo h GLU 95 CO 0.08 0.50 0.63 0.35 -1.16 0.00 0.00 179.01 179.41 2kpo h PHE 96 N 0.78 1.19 0.00 4.33 3.04 -0.80 0.04 116.94 125.52 2kpo h PHE 96 Ca 0.33 0.03 -0.10 0.00 3.98 0.00 0.00 57.97 62.20 2kpo h PHE 96 Cb 0.19 -0.40 -0.01 0.00 2.56 0.00 0.00 35.95 38.28 2kpo h PHE 96 CO -0.06 0.71 -0.48 0.66 -2.02 0.00 0.00 178.31 177.12 2kpo h SER 97 N 1.25 0.00 0.41 0.41 4.64 -0.58 -2.70 113.55 116.98 2kpo h SER 97 Ca 0.37 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.69 2kpo h SER 97 Cb -0.06 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.03 2kpo h SER 97 CO -0.11 0.48 -0.13 -0.62 -0.87 0.00 0.00 176.83 175.58 2kpo n GLU 98 N -3.71 0.61 0.11 4.77 1.02 -0.53 -3.60 120.64 119.30 2kpo n GLU 98 Ca -0.01 -0.22 -0.09 0.00 -0.02 0.00 0.00 57.16 56.83 2kpo n GLU 98 Cb 0.54 -1.50 -0.05 0.00 -0.02 0.00 0.00 31.44 30.41 2kpo n GLU 98 CO 0.00 0.00 0.00 0.93 1.18 0.00 0.00 177.13 179.24 2kpo h GLU 99 N 0.53 -0.35 0.00 3.49 5.08 -0.69 -3.47 114.58 119.16 2kpo h GLU 99 Ca 0.00 0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.38 2kpo h GLU 99 Cb 0.38 0.08 0.00 0.00 0.50 0.00 0.00 28.75 29.71 2kpo h GLU 99 CO 0.00 -0.08 0.00 0.41 -1.00 0.00 0.00 179.01 178.34 2kpo n GLY 100 N 0.61 0.98 0.00 -3.84 0.00 -1.22 -3.55 105.19 98.17 2kpo n GLY 100 Ca -0.07 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.95 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 1.00 2.41 -0.02 0.00 -1.26 -4.66 105.19 102.66 2kpo n GLY 101 Ca 0.00 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.85 2kpo n GLY 101 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2kpo n SER 102 N 0.00 -5.06 0.00 1.61 7.64 -1.23 -4.95 113.62 111.62 2kpo n SER 102 Ca 0.00 0.20 0.00 0.00 1.01 0.00 0.00 58.87 60.08 2kpo n SER 102 Cb 0.00 -4.12 0.00 0.00 -1.01 0.00 0.00 64.21 59.08 2kpo n SER 102 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 2kpo n LEU 103 N -2.22 0.02 -0.03 -3.43 4.77 -1.26 -3.10 117.00 111.74 2kpo n LEU 103 Ca -0.19 0.88 -0.13 0.00 -0.03 0.00 0.00 56.01 56.54 2kpo n LEU 103 Cb 0.61 -0.39 -0.11 0.00 -2.33 0.00 0.00 43.42 41.20 2kpo n LEU 103 CO 0.25 -0.39 0.52 1.05 -1.33 0.00 0.00 177.39 177.49 2kpo h GLU 104 N 0.00 -0.01 -4.63 3.23 4.11 -1.92 -3.39 114.58 111.97 2kpo h GLU 104 Ca 0.00 0.00 -0.72 0.00 0.07 0.00 0.00 59.36 58.71 2kpo h GLU 104 Cb 0.00 0.00 -0.20 0.00 0.50 0.00 0.00 28.75 29.05 2kpo h GLU 104 CO 0.00 0.67 0.52 -1.01 0.07 0.00 0.00 179.01 179.27 2kpo s HIS 105 N -3.37 3.30 -1.07 2.06 3.76 -1.26 -4.97 115.29 113.74 2kpo s HIS 105 Ca -0.17 -1.52 -0.23 0.00 -0.15 0.00 0.00 55.06 52.99 2kpo s HIS 105 Cb -0.00 -4.11 -0.07 0.00 1.11 0.00 0.00 32.58 29.50 2kpo s HIS 105 CO 0.66 -1.32 1.94 -1.01 -0.85 0.00 0.00 174.74 174.17 2kpo s HIS 106 N 1.93 1.89 0.31 1.40 3.76 -1.18 -4.29 115.29 119.11 2kpo s HIS 106 Ca 0.26 0.54 0.03 0.00 -0.15 0.00 0.00 55.06 55.74 2kpo s HIS 106 Cb -0.09 -4.01 0.62 0.00 1.11 0.00 0.00 32.58 30.21 2kpo s HIS 106 CO -0.07 -1.42 1.87 1.25 -0.85 0.00 0.00 174.74 175.52 2kpo h HIS 107 N 10.37 1.02 0.00 1.40 2.76 -1.94 0.11 115.15 128.87 2kpo h HIS 107 Ca 0.17 0.03 0.00 0.00 -2.20 0.00 0.00 60.37 58.37 2kpo h HIS 107 Cb 0.97 -0.33 0.00 0.00 1.55 0.00 0.00 27.41 29.60 2kpo h HIS 107 CO 1.21 0.45 -0.65 0.72 -1.30 0.00 0.00 177.93 178.36 2kpo n HIS 108 N -4.55 0.06 -3.36 5.26 8.25 -1.26 -5.03 115.22 114.60 2kpo n HIS 108 Ca 0.16 0.02 -0.15 0.00 -0.26 0.00 0.00 57.72 57.49 2kpo n HIS 108 Cb 0.32 -0.25 0.01 0.00 1.12 0.00 0.00 29.99 31.19 2kpo n HIS 108 CO 0.00 0.00 0.00 1.58 0.64 0.00 0.00 176.34 178.56 2kpo n HIS 109 N -1.59 -2.68 0.57 4.41 -0.00 0.39 -5.29 115.22 111.02 2kpo n HIS 109 Ca 0.05 1.07 0.07 0.00 0.46 0.00 0.00 57.72 59.36 2kpo n HIS 109 Cb 0.35 -3.31 0.06 0.00 -0.12 0.00 0.00 29.99 26.97 2kpo n HIS 109 CO 0.00 0.00 0.00 -2.39 0.46 0.00 0.00 176.34 174.41