#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 4.31 -0.15 -0.89 1.02 0.24 -5.03 118.68 118.18 2kpo s LEU 2 Ca 0.00 0.63 -0.00 0.00 0.02 0.00 0.00 54.13 54.78 2kpo s LEU 2 Cb 0.00 -2.42 0.03 0.00 0.02 0.00 0.00 46.19 43.82 2kpo s LEU 2 CO 0.00 0.17 -0.09 -0.76 0.02 0.00 0.00 176.35 175.69 2kpo s LEU 3 N -0.00 1.58 0.10 1.79 1.43 -1.26 -0.70 118.68 121.61 2kpo s LEU 3 Ca 0.19 -0.54 0.07 0.00 -1.03 0.00 0.00 54.13 52.83 2kpo s LEU 3 Cb -0.14 -1.00 -0.03 0.00 0.03 0.00 0.00 46.19 45.05 2kpo s LEU 3 CO 0.07 -0.13 -0.19 -0.31 0.23 0.00 0.00 176.35 176.02 2kpo s TYR 4 N 1.59 1.65 -0.03 0.29 1.51 -0.33 -3.97 117.35 118.06 2kpo s TYR 4 Ca 0.03 -0.43 0.06 0.00 -1.01 0.00 0.00 57.07 55.72 2kpo s TYR 4 Cb -0.14 -0.91 -0.01 0.00 -0.11 0.00 0.00 41.96 40.79 2kpo s TYR 4 CO -0.09 0.17 -0.21 0.08 -1.11 0.00 0.00 175.55 174.39 2kpo s VAL 5 N -1.22 1.72 -0.07 0.71 1.01 -0.94 -0.71 120.40 120.90 2kpo s VAL 5 Ca 0.05 -0.91 0.04 0.00 0.00 0.00 0.00 61.98 61.16 2kpo s VAL 5 Cb -0.10 -1.45 -0.01 0.00 0.00 0.00 0.00 36.38 34.82 2kpo s VAL 5 CO 0.04 0.49 -0.20 -0.76 0.00 0.00 0.00 175.10 174.66 2kpo s LEU 6 N -0.28 2.35 -0.04 3.92 1.43 0.79 -0.29 118.68 126.57 2kpo s LEU 6 Ca 0.02 -0.41 0.05 0.00 -1.03 0.00 0.00 54.13 52.77 2kpo s LEU 6 Cb -0.10 -1.47 -0.01 0.00 0.03 0.00 0.00 46.19 44.64 2kpo s LEU 6 CO 0.01 0.25 -0.18 -0.51 0.23 0.00 0.00 176.35 176.14 2kpo s ILE 7 N -0.15 1.51 -0.28 -0.59 2.07 -1.04 -0.47 121.20 122.26 2kpo s ILE 7 Ca -0.03 -0.78 0.00 0.00 -1.41 0.00 0.00 60.65 58.44 2kpo s ILE 7 Cb -0.14 -1.28 0.08 0.00 0.13 0.00 0.00 42.46 41.25 2kpo s ILE 7 CO 0.04 0.43 0.04 -0.63 -1.91 0.00 0.00 174.94 172.91 2kpo s ILE 8 N -0.11 1.21 0.17 2.00 1.01 0.16 -1.30 121.20 124.34 2kpo s ILE 8 Ca -0.01 -1.37 -0.11 0.00 0.00 0.00 0.00 60.65 59.16 2kpo s ILE 8 Cb -0.11 -1.76 0.00 0.00 0.01 0.00 0.00 42.46 40.60 2kpo s ILE 8 CO 0.02 -0.44 0.34 -0.55 0.00 0.00 0.00 174.94 174.30 2kpo s SER 9 N 1.48 -0.03 -0.04 3.58 0.15 -1.26 -2.14 113.70 115.44 2kpo s SER 9 Ca 0.04 -0.77 0.19 0.00 0.70 0.00 0.00 55.95 56.10 2kpo s SER 9 Cb -0.18 0.47 -0.22 0.00 -1.71 0.00 0.00 66.02 64.38 2kpo s SER 9 CO -0.15 -0.93 0.50 0.59 1.20 0.00 0.00 173.24 174.45 2kpo n ASN 10 N -0.24 0.37 -4.59 5.45 3.02 -1.26 -4.88 115.26 113.13 2kpo n ASN 10 Ca -0.08 0.16 -0.40 0.00 -0.03 0.00 0.00 54.58 54.23 2kpo n ASN 10 Cb 0.63 0.90 -0.08 0.00 -0.61 0.00 0.00 39.78 40.62 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 -5.36 6.32 0.30 6.41 -1.08 -1.26 -4.96 116.67 117.03 2kpo s ASP 11 Ca -0.06 0.22 0.05 0.00 -0.52 0.00 0.00 52.55 52.23 2kpo s ASP 11 Cb 0.09 -2.25 0.47 0.00 -1.46 0.00 0.00 42.92 39.77 2kpo s ASP 11 CO 0.84 -0.32 1.73 0.11 0.52 0.00 0.00 175.17 178.06 2kpo h LYS 12 N 8.24 0.36 -0.47 4.34 1.79 -1.99 -1.59 116.57 127.25 2kpo h LYS 12 Ca -0.29 -0.14 -0.07 0.00 -2.18 0.00 0.00 60.65 57.96 2kpo h LYS 12 Cb 1.14 -0.02 -0.02 0.00 -1.58 0.00 0.00 32.23 31.76 2kpo h LYS 12 CO 0.71 0.63 0.02 0.87 -1.08 0.00 0.00 179.45 180.60 2kpo h LYS 13 N 0.31 0.81 -0.62 3.15 1.79 -1.98 0.17 116.57 120.20 2kpo h LYS 13 Ca 0.04 -0.25 0.08 0.00 -2.18 0.00 0.00 60.65 58.34 2kpo h LYS 13 Cb 0.70 -0.08 -0.06 0.00 -1.58 0.00 0.00 32.23 31.21 2kpo h LYS 13 CO 0.05 0.85 0.29 1.25 -1.08 0.00 0.00 179.45 180.81 2kpo h LEU 14 N 0.67 0.36 -1.39 2.94 6.46 -1.90 -0.15 115.31 122.30 2kpo h LEU 14 Ca 0.14 0.06 -0.04 0.00 -0.12 0.00 0.00 57.88 57.91 2kpo h LEU 14 Cb 0.47 -0.00 -0.01 0.00 -0.73 0.00 0.00 40.66 40.39 2kpo h LEU 14 CO 0.02 0.22 -0.06 0.40 -0.62 0.00 0.00 178.44 178.40 2kpo h ILE 15 N 0.51 1.17 0.26 4.05 2.04 -0.92 -1.63 117.51 123.00 2kpo h ILE 15 Ca 0.30 -0.71 -0.01 0.00 1.00 0.00 0.00 64.86 65.44 2kpo h ILE 15 Cb 0.30 1.07 0.00 0.00 -0.74 0.00 0.00 36.82 37.45 2kpo h ILE 15 CO -0.25 0.23 -0.13 -0.33 0.00 0.00 0.00 178.15 177.68 2kpo h GLU 16 N 0.32 -0.34 -0.48 2.37 5.08 0.86 -1.81 114.58 120.59 2kpo h GLU 16 Ca 0.07 0.02 -0.02 0.00 -1.00 0.00 0.00 59.36 58.43 2kpo h GLU 16 Cb 0.31 0.08 -0.02 0.00 0.50 0.00 0.00 28.75 29.62 2kpo h GLU 16 CO 0.01 -0.06 0.22 0.93 -1.00 0.00 0.00 179.01 179.11 2kpo h GLU 17 N -0.60 0.67 0.00 2.33 3.07 -0.97 0.27 114.58 119.35 2kpo h GLU 17 Ca -0.04 -0.08 -0.00 0.00 -0.50 0.00 0.00 59.36 58.74 2kpo h GLU 17 Cb 0.43 -0.13 0.00 0.00 -0.84 0.00 0.00 28.75 28.21 2kpo h GLU 17 CO 0.06 0.53 -0.00 0.00 -1.40 0.00 0.00 179.01 178.20 2kpo h ALA 18 N 1.57 -0.00 -0.78 3.43 0.00 -1.30 -1.65 119.26 120.53 2kpo h ALA 18 Ca 0.17 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 55.04 2kpo h ALA 18 Cb 0.09 0.00 -0.04 0.00 0.00 0.00 0.00 17.79 17.84 2kpo h ALA 18 CO -0.02 -0.49 0.42 0.00 0.00 0.00 0.00 179.25 179.16 2kpo h ARG 19 N -0.03 1.09 0.31 0.00 3.08 -0.57 -1.30 114.38 116.96 2kpo h ARG 19 Ca -0.00 -0.13 0.00 0.00 0.07 0.00 0.00 59.98 59.92 2kpo h ARG 19 Cb 0.03 -0.21 -0.03 0.00 0.08 0.00 0.00 29.97 29.85 2kpo h ARG 19 CO 0.00 0.81 -0.35 0.87 -1.07 0.00 0.00 179.97 180.24 2kpo h LYS 20 N 1.08 -0.67 -0.69 0.04 1.57 -0.35 0.27 116.57 117.83 2kpo h LYS 20 Ca 0.27 0.05 0.00 0.00 -1.87 0.00 0.00 60.65 59.10 2kpo h LYS 20 Cb 0.04 0.15 -0.03 0.00 0.08 0.00 0.00 32.23 32.47 2kpo h LYS 20 CO -0.04 -0.44 0.44 0.52 -0.57 0.00 0.00 179.45 179.35 2kpo h MET 21 N -0.69 0.92 -0.34 3.15 2.86 -1.22 0.74 114.93 120.34 2kpo h MET 21 Ca -0.01 -0.06 0.01 0.00 -2.06 0.00 0.00 59.70 57.57 2kpo h MET 21 Cb 0.64 -0.20 -0.02 0.00 0.06 0.00 0.00 31.60 32.08 2kpo h MET 21 CO -0.09 0.62 0.21 0.00 1.06 0.00 0.00 176.91 178.71 2kpo h ALA 22 N 1.55 0.43 -0.77 6.32 0.00 -0.87 0.86 119.26 126.78 2kpo h ALA 22 Ca 0.25 -0.01 -0.06 0.00 0.00 0.00 0.00 54.91 55.09 2kpo h ALA 22 Cb -0.08 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 17.56 2kpo h ALA 22 CO -0.05 -0.13 0.26 0.93 0.00 0.00 0.00 179.25 180.26 2kpo h GLU 23 N 0.43 1.17 -0.39 0.00 5.08 -0.11 0.18 114.58 120.95 2kpo h GLU 23 Ca 0.13 -0.24 -0.05 0.00 -1.00 0.00 0.00 59.36 58.21 2kpo h GLU 23 Cb -0.02 -0.18 -0.02 0.00 0.50 0.00 0.00 28.75 29.03 2kpo h GLU 23 CO -0.05 0.98 0.05 0.87 -1.00 0.00 0.00 179.01 179.86 2kpo h LYS 24 N 1.13 0.60 -0.00 2.33 1.79 -0.57 -0.73 116.57 121.11 2kpo h LYS 24 Ca 0.25 -0.12 0.00 0.00 -2.18 0.00 0.00 60.65 58.60 2kpo h LYS 24 Cb 0.28 -0.09 0.00 0.00 -1.58 0.00 0.00 32.23 30.84 2kpo h LYS 24 CO -0.01 0.59 0.00 0.00 -1.08 0.00 0.00 179.45 178.95 2kpo n ALA 25 N -2.47 2.66 -2.22 3.86 0.00 0.27 -4.91 120.51 117.70 2kpo n ALA 25 Ca 0.02 -0.26 -0.15 0.00 0.00 0.00 0.00 53.44 53.05 2kpo n ALA 25 Cb 0.23 -1.43 -0.01 0.00 0.00 0.00 0.00 19.45 18.24 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 -0.72 -4.58 -4.47 0.00 5.03 -0.28 -4.98 115.26 105.27 2kpo n ASN 26 Ca 0.23 0.02 -0.31 0.00 0.87 0.00 0.00 54.58 55.38 2kpo n ASN 26 Cb 0.17 -3.69 -0.13 0.00 -1.02 0.00 0.00 39.78 35.11 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 -4.27 2.65 -0.29 3.41 1.43 0.49 -4.99 118.68 117.11 2kpo s LEU 27 Ca 0.00 -0.39 -0.25 0.00 -1.03 0.00 0.00 54.13 52.45 2kpo s LEU 27 Cb 0.00 -1.54 0.00 0.00 0.03 0.00 0.00 46.19 44.68 2kpo s LEU 27 CO 0.00 0.26 0.87 -1.61 0.23 0.00 0.00 176.35 176.11 2kpo s GLU 28 N -1.40 4.06 -0.20 1.70 8.01 -1.25 -3.84 118.70 125.78 2kpo s GLU 28 Ca 0.15 0.83 -0.09 0.00 0.01 0.00 0.00 54.97 55.87 2kpo s GLU 28 Cb -0.11 -3.70 -0.04 0.00 -4.31 0.00 0.00 34.13 25.97 2kpo s GLU 28 CO 0.05 -0.68 0.10 -1.17 0.01 0.00 0.00 175.26 173.57 2kpo s LEU 29 N 3.09 3.97 -0.15 1.80 0.20 -1.26 -2.22 118.68 124.10 2kpo s LEU 29 Ca 0.36 0.12 -0.05 0.00 0.69 0.00 0.00 54.13 55.26 2kpo s LEU 29 Cb -0.14 -2.03 -0.03 0.00 -0.43 0.00 0.00 46.19 43.56 2kpo s LEU 29 CO 0.11 0.15 0.00 -0.13 -0.29 0.00 0.00 176.35 176.19 2kpo s ARG 30 N 0.54 3.68 -0.17 1.98 1.81 0.61 -4.97 118.95 122.42 2kpo s ARG 30 Ca 0.05 -0.44 -0.20 0.00 -1.72 0.00 0.00 55.73 53.43 2kpo s ARG 30 Cb -0.12 -3.00 -0.03 0.00 -0.45 0.00 0.00 34.95 31.34 2kpo s ARG 30 CO 0.00 0.33 0.57 0.95 -0.68 0.00 0.00 175.30 176.47 2kpo s THR 31 N 0.16 5.08 -0.07 0.02 -4.23 -1.26 -2.48 115.64 112.86 2kpo s THR 31 Ca 0.01 1.07 0.01 0.00 -1.18 0.00 0.00 61.69 61.61 2kpo s THR 31 Cb -0.13 -3.89 -0.03 0.00 1.34 0.00 0.00 72.50 69.79 2kpo s THR 31 CO 0.02 0.18 -0.10 -0.69 -0.54 0.00 0.00 174.62 173.49 2kpo s VAL 32 N 1.50 3.40 -0.21 2.29 1.01 -0.42 -4.96 120.40 123.01 2kpo s VAL 32 Ca 0.27 -0.58 -0.16 0.00 0.00 0.00 0.00 61.98 61.51 2kpo s VAL 32 Cb -0.16 -2.38 -0.09 0.00 0.00 0.00 0.00 36.38 33.75 2kpo s VAL 32 CO 0.11 0.58 -0.26 0.29 0.00 0.00 0.00 175.10 175.82 2kpo n LYS 33 N 2.48 0.54 -4.55 2.72 5.02 -1.26 -4.41 118.16 118.71 2kpo n LYS 33 Ca -0.18 0.32 -0.26 0.00 -2.02 0.00 0.00 58.31 56.18 2kpo n LYS 33 Cb 0.53 -1.53 -0.11 0.00 -0.02 0.00 0.00 35.03 33.90 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 -2.60 1.91 0.28 -0.18 -4.23 -1.26 -4.94 115.64 104.61 2kpo s THR 34 Ca -0.30 -2.08 0.01 0.00 -1.18 0.00 0.00 61.69 58.14 2kpo s THR 34 Cb 0.08 -2.79 0.27 0.00 1.34 0.00 0.00 72.50 71.39 2kpo s THR 34 CO 0.44 -0.10 1.81 -0.08 -0.54 0.00 0.00 174.62 176.15 2kpo h GLU 35 N 1.96 0.85 -0.44 3.99 4.22 -1.99 -0.60 114.58 122.58 2kpo h GLU 35 Ca -0.42 -0.05 -0.09 0.00 0.08 0.00 0.00 59.36 58.88 2kpo h GLU 35 Cb 1.24 -0.19 -0.02 0.00 0.50 0.00 0.00 28.75 30.28 2kpo h GLU 35 CO 0.74 0.56 -0.08 0.22 -2.18 0.00 0.00 179.01 178.28 2kpo h ASP 36 N 0.88 0.75 -0.54 1.04 3.58 -1.99 -0.67 116.42 119.46 2kpo h ASP 36 Ca 0.49 -0.21 -0.01 0.00 0.42 0.00 0.00 57.03 57.72 2kpo h ASP 36 Cb 0.56 -0.20 -0.03 0.00 1.72 0.00 0.00 39.33 41.38 2kpo h ASP 36 CO -0.30 0.87 0.31 -0.33 -2.88 0.00 0.00 179.24 176.91 2kpo h GLU 37 N 0.70 0.75 -0.22 0.28 4.39 -1.63 -0.08 114.58 118.76 2kpo h GLU 37 Ca 0.12 -0.08 0.04 0.00 0.34 0.00 0.00 59.36 59.79 2kpo h GLU 37 Cb 0.55 -0.15 -0.04 0.00 -0.10 0.00 0.00 28.75 29.01 2kpo h GLU 37 CO 0.03 0.56 -0.02 1.25 -1.16 0.00 0.00 179.01 179.67 2kpo h LEU 38 N 0.73 -0.13 -0.22 1.33 7.12 -0.71 0.37 115.31 123.79 2kpo h LEU 38 Ca 0.19 0.06 0.06 0.00 0.13 0.00 0.00 57.88 58.32 2kpo h LEU 38 Cb 0.01 0.11 -0.06 0.00 -0.53 0.00 0.00 40.66 40.19 2kpo h LEU 38 CO -0.03 -0.04 -0.19 0.50 -0.13 0.00 0.00 178.44 178.55 2kpo h LYS 39 N 0.04 -0.19 -0.30 1.25 3.64 -0.87 -0.45 116.57 119.70 2kpo h LYS 39 Ca 0.11 0.01 0.01 0.00 -1.27 0.00 0.00 60.65 59.51 2kpo h LYS 39 Cb 0.14 0.04 -0.02 0.00 -0.41 0.00 0.00 32.23 31.99 2kpo h LYS 39 CO -0.20 -0.13 0.16 -0.22 -2.27 0.00 0.00 179.45 176.80 2kpo h LYS 40 N -0.20 0.33 -0.68 1.90 3.64 -0.59 -1.55 116.57 119.42 2kpo h LYS 40 Ca 0.13 -0.02 -0.00 0.00 -1.27 0.00 0.00 60.65 59.49 2kpo h LYS 40 Cb 0.40 -0.07 -0.03 0.00 -0.41 0.00 0.00 32.23 32.11 2kpo h LYS 40 CO -0.34 0.22 0.40 1.88 -2.27 0.00 0.00 179.45 179.34 2kpo h TYR 41 N 0.34 0.89 -0.72 1.91 -1.99 -0.71 -2.02 116.97 114.66 2kpo h TYR 41 Ca 0.12 0.00 -0.01 0.00 2.00 0.00 0.00 58.73 60.84 2kpo h TYR 41 Cb 0.01 -0.29 -0.03 0.00 2.00 0.00 0.00 36.73 38.42 2kpo h TYR 41 CO -0.08 0.59 0.41 -0.07 -0.00 0.00 0.00 178.16 179.01 2kpo h LEU 42 N 0.93 0.89 -1.59 3.88 3.38 -0.47 -2.10 115.31 120.24 2kpo h LEU 42 Ca 0.24 -0.09 -0.04 0.00 0.09 0.00 0.00 57.88 58.09 2kpo h LEU 42 Cb -0.03 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 40.49 2kpo h LEU 42 CO -0.04 0.72 -0.13 -0.33 0.09 0.00 0.00 178.44 178.75 2kpo h GLU 43 N 0.99 0.10 -0.51 1.13 5.08 -0.63 -0.03 114.58 120.71 2kpo h GLU 43 Ca 0.26 -0.02 -0.03 0.00 -1.00 0.00 0.00 59.36 58.57 2kpo h GLU 43 Cb 0.02 -0.02 -0.02 0.00 0.50 0.00 0.00 28.75 29.23 2kpo h GLU 43 CO -0.04 0.24 0.21 1.49 -1.00 0.00 0.00 179.01 179.90 2kpo h GLU 44 N 0.09 0.73 0.00 2.33 4.81 -0.73 -2.74 114.58 119.07 2kpo h GLU 44 Ca 0.02 -0.10 -0.11 0.00 -0.13 0.00 0.00 59.36 59.04 2kpo h GLU 44 Cb 0.30 -0.13 -0.02 0.00 0.63 0.00 0.00 28.75 29.53 2kpo h GLU 44 CO 0.02 0.60 -0.53 0.74 -0.73 0.00 0.00 179.01 179.11 2kpo h PHE 45 N 0.73 0.00 -0.22 0.92 0.05 -0.64 -3.29 116.94 114.48 2kpo h PHE 45 Ca 0.18 0.00 0.06 0.00 3.82 0.00 0.00 57.97 62.03 2kpo h PHE 45 Cb 0.14 0.00 -0.01 0.00 2.00 0.00 0.00 35.95 38.08 2kpo h PHE 45 CO 0.01 0.50 0.33 0.00 -0.18 0.00 0.00 178.31 178.97 2kpo h ARG 46 N 0.00 0.00 0.77 1.51 3.08 -0.74 -1.80 114.38 117.20 2kpo h ARG 46 Ca -0.01 0.00 -0.04 0.00 0.07 0.00 0.00 59.98 60.01 2kpo h ARG 46 Cb 1.39 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.44 2kpo h ARG 46 CO 0.06 0.00 -0.41 0.87 -1.07 0.00 0.00 179.97 179.43 2kpo h LYS 47 N 0.00 -1.04 -0.81 0.04 1.57 -1.68 -3.04 116.57 111.60 2kpo h LYS 47 Ca 0.10 0.07 -0.13 0.00 -1.87 0.00 0.00 60.65 58.82 2kpo h LYS 47 Cb 0.75 0.24 -0.08 0.00 0.08 0.00 0.00 32.23 33.22 2kpo h LYS 47 CO -0.00 -0.70 0.17 0.39 -0.57 0.00 0.00 179.45 178.74 2kpo n GLU 48 N -5.56 3.06 0.04 3.15 -0.58 -0.77 -4.46 120.64 115.52 2kpo n GLU 48 Ca -0.14 -2.16 0.03 0.00 -0.42 0.00 0.00 57.16 54.46 2kpo n GLU 48 Cb 0.44 -1.96 0.14 0.00 -0.57 0.00 0.00 31.44 29.49 2kpo n GLU 48 CO 0.00 0.00 0.00 -1.13 -0.48 0.00 0.00 177.13 175.52 2kpo n SER 49 N 0.04 0.13 -0.27 1.62 3.41 -0.75 -1.54 113.62 116.26 2kpo n SER 49 Ca 0.27 0.49 -0.07 0.00 -0.26 0.00 0.00 58.87 59.31 2kpo n SER 49 Cb 1.06 -0.50 0.05 0.00 -0.26 0.00 0.00 64.21 64.57 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 1.17 -0.68 4.33 4.20 -1.85 -3.37 115.11 118.92 2kpo h GLN 50 Ca 0.00 -0.26 -0.30 0.00 0.06 0.00 0.00 58.65 58.15 2kpo h GLN 50 Cb 0.19 -0.17 -0.40 0.00 0.30 0.00 0.00 27.48 27.40 2kpo h GLN 50 CO 0.00 1.00 -1.13 0.09 -0.67 0.00 0.00 178.83 178.12 2kpo n ASN 51 N -4.24 1.70 -4.44 1.46 3.02 -0.59 -5.12 115.26 107.05 2kpo n ASN 51 Ca 0.06 -2.37 -0.27 0.00 -0.03 0.00 0.00 54.58 51.97 2kpo n ASN 51 Cb 0.24 -0.49 -0.12 0.00 -0.61 0.00 0.00 39.78 38.80 2kpo n ASN 51 CO 0.00 0.00 0.00 -0.51 -2.62 0.00 0.00 177.26 174.13 2kpo s ILE 52 N -3.61 2.42 -0.04 2.41 2.07 -1.18 -0.59 121.20 122.67 2kpo s ILE 52 Ca 0.28 -2.00 -0.01 0.00 -1.41 0.00 0.00 60.65 57.52 2kpo s ILE 52 Cb 0.38 -2.16 0.03 0.00 0.13 0.00 0.00 42.46 40.83 2kpo s ILE 52 CO -0.01 -0.11 0.01 -0.54 -1.91 0.00 0.00 174.94 172.38 2kpo s LYS 53 N -2.68 0.30 -0.04 3.50 -0.14 0.12 -4.69 119.74 116.10 2kpo s LYS 53 Ca 0.21 0.15 0.04 0.00 -1.36 0.00 0.00 55.97 55.01 2kpo s LYS 53 Cb -0.08 -0.62 -0.03 0.00 -1.68 0.00 0.00 37.83 35.42 2kpo s LYS 53 CO 0.10 -0.22 -0.15 0.08 -0.76 0.00 0.00 175.35 174.40 2kpo s VAL 54 N 1.54 3.04 -0.20 3.17 1.01 0.58 -1.18 120.40 128.35 2kpo s VAL 54 Ca -0.02 -0.76 -0.01 0.00 0.00 0.00 0.00 61.98 61.19 2kpo s VAL 54 Cb -0.13 -2.19 0.01 0.00 0.00 0.00 0.00 36.38 34.07 2kpo s VAL 54 CO -0.03 0.58 -0.13 -0.22 0.00 0.00 0.00 175.10 175.30 2kpo s LEU 55 N -0.78 2.52 -0.21 3.92 2.96 0.12 -0.07 118.68 127.14 2kpo s LEU 55 Ca 0.12 -0.59 -0.05 0.00 -0.22 0.00 0.00 54.13 53.39 2kpo s LEU 55 Cb -0.11 -1.59 -0.02 0.00 0.50 0.00 0.00 46.19 44.97 2kpo s LEU 55 CO 0.01 -0.02 0.01 -0.63 -1.32 0.00 0.00 176.35 174.40 2kpo s ILE 56 N 1.36 4.00 -0.25 6.68 1.01 0.07 -0.15 121.20 133.92 2kpo s ILE 56 Ca 0.05 -0.29 -0.02 0.00 0.00 0.00 0.00 60.65 60.39 2kpo s ILE 56 Cb -0.14 -2.82 0.02 0.00 0.01 0.00 0.00 42.46 39.53 2kpo s ILE 56 CO -0.09 0.41 -0.06 -0.76 0.00 0.00 0.00 174.94 174.45 2kpo s LEU 57 N 1.14 3.19 0.31 2.97 2.01 0.38 -1.23 118.68 127.46 2kpo s LEU 57 Ca 0.03 -0.84 0.09 0.00 0.01 0.00 0.00 54.13 53.42 2kpo s LEU 57 Cb -0.14 -1.67 -0.05 0.00 0.01 0.00 0.00 46.19 44.34 2kpo s LEU 57 CO 0.02 -0.12 0.05 0.68 1.01 0.00 0.00 176.35 177.98 2kpo s VAL 58 N 1.34 3.07 -0.15 -1.59 -7.23 -0.30 -0.67 120.40 114.87 2kpo s VAL 58 Ca 0.01 -1.85 0.16 0.00 -1.81 0.00 0.00 61.98 58.49 2kpo s VAL 58 Cb -0.16 -2.87 -0.24 0.00 0.56 0.00 0.00 36.38 33.66 2kpo s VAL 58 CO -0.04 -0.26 0.28 -1.20 -0.31 0.00 0.00 175.10 173.57 2kpo n SER 59 N -1.00 0.29 -4.46 4.85 7.64 -0.91 -0.48 113.62 119.56 2kpo n SER 59 Ca -0.05 0.14 -0.30 0.00 1.01 0.00 0.00 58.87 59.67 2kpo n SER 59 Cb 0.61 0.68 -0.12 0.00 -1.01 0.00 0.00 64.21 64.37 2kpo n SER 59 CO 0.00 0.00 0.00 0.20 -3.01 0.00 0.00 175.04 172.23 2kpo s ASN 60 N -5.65 3.73 0.41 6.43 0.01 -1.26 -4.73 114.94 113.87 2kpo s ASN 60 Ca -0.08 -0.57 0.11 0.00 -0.71 0.00 0.00 52.86 51.61 2kpo s ASN 60 Cb 0.07 -0.48 0.87 0.00 0.41 0.00 0.00 41.25 42.12 2kpo s ASN 60 CO 0.83 0.20 1.96 0.44 -1.51 0.00 0.00 177.10 179.02 2kpo h ASP 61 N 3.96 0.19 0.15 -1.22 3.32 -1.99 -1.52 116.42 119.30 2kpo h ASP 61 Ca -0.49 -0.03 0.00 0.00 0.02 0.00 0.00 57.03 56.53 2kpo h ASP 61 Cb 1.16 -0.05 -0.01 0.00 0.22 0.00 0.00 39.33 40.66 2kpo h ASP 61 CO 0.45 0.31 -0.13 -0.08 -1.72 0.00 0.00 179.24 178.06 2kpo h GLU 62 N 0.19 -0.29 -0.74 3.56 4.81 -2.00 -1.51 114.58 118.61 2kpo h GLU 62 Ca 0.04 0.02 0.02 0.00 -0.13 0.00 0.00 59.36 59.31 2kpo h GLU 62 Cb 0.29 0.07 -0.04 0.00 0.63 0.00 0.00 28.75 29.70 2kpo h GLU 62 CO 0.02 -0.19 0.49 0.93 -0.73 0.00 0.00 179.01 179.52 2kpo h GLU 63 N -0.30 0.94 0.02 1.92 4.39 -1.88 -1.38 114.58 118.29 2kpo h GLU 63 Ca 0.00 -0.06 0.02 0.00 0.34 0.00 0.00 59.36 59.67 2kpo h GLU 63 Cb 0.28 -0.21 -0.03 0.00 -0.10 0.00 0.00 28.75 28.68 2kpo h GLU 63 CO -0.03 0.62 -0.18 1.25 -1.16 0.00 0.00 179.01 179.51 2kpo h LEU 64 N 0.97 -0.53 -1.01 1.33 5.85 -0.86 0.32 115.31 121.37 2kpo h LEU 64 Ca 0.28 0.07 -0.10 0.00 0.84 0.00 0.00 57.88 58.97 2kpo h LEU 64 Cb -0.06 0.22 -0.01 0.00 0.37 0.00 0.00 40.66 41.18 2kpo h LEU 64 CO -0.07 -0.25 -0.37 -0.78 -0.34 0.00 0.00 178.44 176.63 2kpo h ASP 65 N -0.31 0.25 -0.40 1.25 -0.00 -0.93 -2.68 116.42 113.61 2kpo h ASP 65 Ca 0.05 -0.09 -0.09 0.00 -0.00 0.00 0.00 57.03 56.89 2kpo h ASP 65 Cb 0.37 -0.07 -0.01 0.00 -0.00 0.00 0.00 39.33 39.62 2kpo h ASP 65 CO -0.16 0.60 -0.12 0.11 -0.00 0.00 0.00 179.24 179.67 2kpo h LYS 66 N 0.21 0.78 0.38 0.28 1.79 -0.98 -2.72 116.57 116.31 2kpo h LYS 66 Ca 0.02 -0.31 -0.02 0.00 -2.18 0.00 0.00 60.65 58.17 2kpo h LYS 66 Cb 0.75 -0.04 0.00 0.00 -1.58 0.00 0.00 32.23 31.36 2kpo h LYS 66 CO 0.06 0.93 -0.20 0.00 -1.08 0.00 0.00 179.45 179.15 2kpo h ALA 67 N 0.83 -0.54 -0.79 3.86 0.00 -0.72 -1.27 119.26 120.64 2kpo h ALA 67 Ca 0.10 -0.11 0.08 0.00 0.00 0.00 0.00 54.91 54.98 2kpo h ALA 67 Cb 0.65 0.23 -0.07 0.00 0.00 0.00 0.00 17.79 18.61 2kpo h ALA 67 CO 0.04 -0.81 0.45 1.57 0.00 0.00 0.00 179.25 180.51 2kpo h LYS 68 N -0.54 0.76 0.52 0.00 2.10 -1.57 -2.55 116.57 115.29 2kpo h LYS 68 Ca -0.05 -0.05 -0.02 0.00 -2.00 0.00 0.00 60.65 58.54 2kpo h LYS 68 Cb 0.43 -0.17 -0.01 0.00 -0.90 0.00 0.00 32.23 31.58 2kpo h LYS 68 CO 0.07 0.50 -0.40 0.93 -2.00 0.00 0.00 179.45 178.55 2kpo h GLU 69 N 0.78 -0.86 -0.72 0.07 4.39 -1.22 -1.51 114.58 115.52 2kpo h GLU 69 Ca 0.37 0.06 0.15 0.00 0.34 0.00 0.00 59.36 60.28 2kpo h GLU 69 Cb 0.30 0.20 -0.11 0.00 -0.10 0.00 0.00 28.75 29.04 2kpo h GLU 69 CO -0.22 -0.57 0.14 -0.07 -1.16 0.00 0.00 179.01 177.12 2kpo h LEU 70 N -0.89 -0.05 -0.27 1.33 3.38 -1.10 0.27 115.31 117.97 2kpo h LEU 70 Ca -0.07 0.15 -0.03 0.00 0.09 0.00 0.00 57.88 58.02 2kpo h LEU 70 Cb 0.74 0.21 -0.01 0.00 0.09 0.00 0.00 40.66 41.70 2kpo h LEU 70 CO 0.02 -0.06 0.05 0.00 0.09 0.00 0.00 178.44 178.54 2kpo h ALA 71 N 1.60 0.36 0.00 1.53 0.00 -1.43 -1.86 119.26 119.47 2kpo h ALA 71 Ca 0.40 -0.18 -0.05 0.00 0.00 0.00 0.00 54.91 55.08 2kpo h ALA 71 Cb 0.68 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.35 2kpo h ALA 71 CO -0.52 0.04 -0.24 1.96 0.00 0.00 0.00 179.25 180.49 2kpo h GLN 72 N 0.27 0.00 0.00 0.00 4.20 -0.20 0.12 115.11 119.50 2kpo h GLN 72 Ca 0.08 0.00 -0.15 0.00 0.06 0.00 0.00 58.65 58.64 2kpo h GLN 72 Cb 0.31 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 28.07 2kpo h GLN 72 CO 0.00 0.24 -0.71 0.87 -0.67 0.00 0.00 178.83 178.56 2kpo h LYS 73 N 0.00 0.00 -0.29 1.46 1.79 -0.32 -3.30 116.57 115.91 2kpo h LYS 73 Ca -0.00 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.47 2kpo h LYS 73 Cb 0.68 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.33 2kpo h LYS 73 CO 0.03 0.71 0.00 -1.33 -1.08 0.00 0.00 179.45 177.79 2kpo n MET 74 N -3.54 2.86 -3.24 3.15 2.81 -0.72 -5.02 117.12 113.42 2kpo n MET 74 Ca -0.00 -2.35 -0.08 0.00 -1.81 0.00 0.00 57.70 53.46 2kpo n MET 74 Cb 0.73 -1.49 0.01 0.00 -0.71 0.00 0.00 33.22 31.77 2kpo n MET 74 CO 0.00 0.00 0.00 0.39 1.51 0.00 0.00 175.97 177.87 2kpo n GLU 75 N 0.01 -1.48 -4.39 0.03 1.02 0.22 -5.02 120.64 111.02 2kpo n GLU 75 Ca 0.15 1.22 -0.21 0.00 -0.02 0.00 0.00 57.16 58.30 2kpo n GLU 75 Cb 0.61 -5.16 -0.16 0.00 -0.02 0.00 0.00 31.44 26.70 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 -3.09 0.81 -0.47 -3.67 1.01 -0.06 -5.02 121.20 110.70 2kpo s ILE 76 Ca 0.11 -0.34 -0.28 0.00 0.00 0.00 0.00 60.65 60.14 2kpo s ILE 76 Cb -0.02 -0.75 -0.02 0.00 0.01 0.00 0.00 42.46 41.68 2kpo s ILE 76 CO 0.78 0.27 1.78 -1.81 0.00 0.00 0.00 174.94 175.95 2kpo s ASP 77 N 0.45 5.65 0.10 3.58 1.11 -1.26 -4.60 116.67 121.70 2kpo s ASP 77 Ca -0.08 0.79 0.02 0.00 0.18 0.00 0.00 52.55 53.47 2kpo s ASP 77 Cb -0.11 -2.53 -0.04 0.00 1.07 0.00 0.00 42.92 41.31 2kpo s ASP 77 CO 0.01 -1.99 -0.08 0.68 1.18 0.00 0.00 175.17 174.97 2kpo s VAL 78 N 7.75 0.80 -0.19 -1.27 -7.23 -1.26 -0.31 120.40 118.68 2kpo s VAL 78 Ca 0.72 -1.88 -0.00 0.00 -1.81 0.00 0.00 61.98 59.00 2kpo s VAL 78 Cb -0.17 -1.62 0.05 0.00 0.56 0.00 0.00 36.38 35.20 2kpo s VAL 78 CO 0.27 -0.79 -0.04 -0.13 -0.31 0.00 0.00 175.10 174.10 2kpo s ARG 79 N -3.59 1.40 -0.10 4.82 0.52 0.90 -4.90 118.95 118.00 2kpo s ARG 79 Ca 0.11 -0.65 -0.18 0.00 -0.52 0.00 0.00 55.73 54.48 2kpo s ARG 79 Cb 0.03 -2.21 -0.04 0.00 0.52 0.00 0.00 34.95 33.25 2kpo s ARG 79 CO -0.03 -0.51 0.48 0.95 0.02 0.00 0.00 175.30 176.21 2kpo s THR 80 N 1.59 5.16 -0.04 0.02 -4.23 -1.26 -0.75 115.64 116.12 2kpo s THR 80 Ca -0.02 0.96 -0.09 0.00 -1.18 0.00 0.00 61.69 61.37 2kpo s THR 80 Cb -0.17 -3.82 0.01 0.00 1.34 0.00 0.00 72.50 69.87 2kpo s THR 80 CO -0.07 0.35 0.20 -0.13 -0.54 0.00 0.00 174.62 174.43 2kpo s ARG 81 N 0.45 0.40 -0.15 3.99 1.81 -0.36 -4.98 118.95 120.11 2kpo s ARG 81 Ca 0.26 -0.04 -0.08 0.00 -1.72 0.00 0.00 55.73 54.16 2kpo s ARG 81 Cb -0.15 0.18 -0.04 0.00 -0.45 0.00 0.00 34.95 34.48 2kpo s ARG 81 CO 0.11 -0.09 0.13 0.21 -0.68 0.00 0.00 175.30 174.98 2kpo s LYS 82 N -0.66 3.67 0.27 3.54 2.20 -1.26 -1.15 119.74 126.34 2kpo s LYS 82 Ca -0.08 -0.18 0.12 0.00 -0.36 0.00 0.00 55.97 55.47 2kpo s LYS 82 Cb -0.04 -3.24 -0.05 0.00 -1.51 0.00 0.00 37.83 32.99 2kpo s LYS 82 CO 0.01 0.61 -0.19 0.14 -0.36 0.00 0.00 175.35 175.56 2kpo s VAL 83 N -0.53 2.56 0.04 4.02 -7.23 0.37 -4.91 120.40 114.73 2kpo s VAL 83 Ca 0.12 -2.32 -0.03 0.00 -1.81 0.00 0.00 61.98 57.95 2kpo s VAL 83 Cb -0.12 -2.33 -0.01 0.00 0.56 0.00 0.00 36.38 34.48 2kpo s VAL 83 CO 0.02 -0.36 -0.05 0.35 -0.31 0.00 0.00 175.10 174.74 2kpo n THR 84 N -0.54 1.12 -3.72 5.32 -2.24 -1.26 -4.56 114.28 108.40 2kpo n THR 84 Ca -0.06 0.33 -0.26 0.00 -2.27 0.00 0.00 64.05 61.79 2kpo n THR 84 Cb 0.59 -1.64 -0.03 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 -5.84 6.36 0.26 3.42 0.01 -1.26 -5.02 113.70 111.64 2kpo s SER 85 Ca -0.04 0.34 -0.02 0.00 1.31 0.00 0.00 55.95 57.54 2kpo s SER 85 Cb 0.01 -1.98 0.48 0.00 0.21 0.00 0.00 66.02 64.73 2kpo s SER 85 CO 0.07 -0.07 1.82 -0.65 0.41 0.00 0.00 173.24 174.82 2kpo h PRO 86 N 1.75 0.86 -0.08 12.44 0.11 -1.98 -1.77 132.00 143.33 2kpo h PRO 86 Ca -0.49 -0.05 0.02 0.00 0.11 0.00 0.00 66.00 65.59 2kpo h PRO 86 Cb 1.20 -0.19 -0.00 0.00 0.11 0.00 0.00 31.00 32.11 2kpo h PRO 86 CO 0.66 0.57 0.06 -0.44 -0.21 0.00 0.00 178.00 178.64 2kpo h ASP 87 N 0.88 0.00 0.85 -2.05 3.32 -1.95 0.38 116.42 117.84 2kpo h ASP 87 Ca 0.45 0.00 -0.04 0.00 0.02 0.00 0.00 57.03 57.46 2kpo h ASP 87 Cb 0.44 0.00 0.01 0.00 0.22 0.00 0.00 39.33 39.99 2kpo h ASP 87 CO -0.26 0.00 -0.43 -0.33 -1.72 0.00 0.00 179.24 176.50 2kpo h GLU 88 N 0.00 -1.12 -0.77 3.56 4.39 -1.72 -0.97 114.58 117.95 2kpo h GLU 88 Ca 0.04 0.08 0.04 0.00 0.34 0.00 0.00 59.36 59.85 2kpo h GLU 88 Cb 0.16 0.25 -0.05 0.00 -0.10 0.00 0.00 28.75 29.01 2kpo h GLU 88 CO -0.00 -0.75 0.48 0.00 -1.16 0.00 0.00 179.01 177.58 2kpo h ALA 89 N -1.02 1.02 -0.98 3.43 0.00 -1.45 -1.75 119.26 118.51 2kpo h ALA 89 Ca -0.11 -0.02 0.15 0.00 0.00 0.00 0.00 54.91 54.92 2kpo h ALA 89 Cb 0.90 -0.24 -0.09 0.00 0.00 0.00 0.00 17.79 18.36 2kpo h ALA 89 CO 0.18 0.26 0.60 0.87 0.00 0.00 0.00 179.25 181.16 2kpo h LYS 90 N 0.92 0.85 0.27 0.00 1.57 -0.84 -0.90 116.57 118.44 2kpo h LYS 90 Ca 0.32 -0.05 -0.01 0.00 -1.87 0.00 0.00 60.65 59.03 2kpo h LYS 90 Cb 0.06 -0.19 0.00 0.00 0.08 0.00 0.00 32.23 32.18 2kpo h LYS 90 CO -0.13 0.56 -0.13 -0.09 -0.57 0.00 0.00 179.45 179.09 2kpo h ARG 91 N 0.87 -0.35 -0.89 3.15 2.43 -0.32 -2.70 114.38 116.57 2kpo h ARG 91 Ca 0.52 0.02 0.10 0.00 -0.81 0.00 0.00 59.98 59.81 2kpo h ARG 91 Cb 0.64 0.08 -0.07 0.00 -0.42 0.00 0.00 29.97 30.21 2kpo h ARG 91 CO -0.32 -0.05 0.58 -1.49 -1.51 0.00 0.00 179.97 177.18 2kpo h TRP 92 N -0.65 0.95 -0.32 2.20 4.06 -0.84 -1.17 115.95 120.17 2kpo h TRP 92 Ca -0.04 0.03 -0.04 0.00 2.06 0.00 0.00 58.89 60.90 2kpo h TRP 92 Cb 0.46 -0.31 -0.01 0.00 -1.00 0.00 0.00 29.16 28.30 2kpo h TRP 92 CO 0.02 0.43 0.05 0.82 -3.56 0.00 0.00 178.44 176.20 2kpo h ILE 93 N 0.88 1.24 0.71 1.49 2.04 -1.22 -2.26 117.51 120.39 2kpo h ILE 93 Ca 0.42 -0.83 -0.03 0.00 1.00 0.00 0.00 64.86 65.41 2kpo h ILE 93 Cb 0.42 1.16 0.01 0.00 -0.74 0.00 0.00 36.82 37.66 2kpo h ILE 93 CO -0.18 0.27 -0.34 0.50 0.00 0.00 0.00 178.15 178.40 2kpo h LYS 94 N 0.36 -0.91 -0.19 2.37 3.64 -0.90 -2.37 116.57 118.56 2kpo h LYS 94 Ca 0.10 0.06 0.02 0.00 -1.27 0.00 0.00 60.65 59.56 2kpo h LYS 94 Cb 0.35 0.21 -0.01 0.00 -0.41 0.00 0.00 32.23 32.37 2kpo h LYS 94 CO 0.01 -0.59 0.13 1.05 -2.27 0.00 0.00 179.45 177.78 2kpo h GLU 95 N -1.02 0.15 -0.77 1.90 4.11 -1.40 0.38 114.58 117.93 2kpo h GLU 95 Ca -0.10 -0.01 -0.02 0.00 0.07 0.00 0.00 59.36 59.31 2kpo h GLU 95 Cb 0.75 -0.03 -0.04 0.00 0.50 0.00 0.00 28.75 29.92 2kpo h GLU 95 CO 0.16 0.10 0.41 0.35 0.07 0.00 0.00 179.01 180.10 2kpo h PHE 96 N 0.16 1.07 -0.23 2.06 3.04 -1.25 -2.10 116.94 119.69 2kpo h PHE 96 Ca 0.08 -0.03 -0.17 0.00 3.98 0.00 0.00 57.97 61.83 2kpo h PHE 96 Cb 0.13 -0.34 -0.00 0.00 2.56 0.00 0.00 35.95 38.30 2kpo h PHE 96 CO -0.00 0.76 -0.53 1.03 -2.02 0.00 0.00 178.31 177.55 2kpo h SER 97 N 1.07 0.75 -0.06 0.41 0.87 -0.44 -3.16 113.55 112.99 2kpo h SER 97 Ca 0.27 -0.39 -0.06 0.00 -1.23 0.00 0.00 61.79 60.37 2kpo h SER 97 Cb 0.06 -0.21 -0.01 0.00 -0.44 0.00 0.00 62.40 61.79 2kpo h SER 97 CO -0.04 1.14 -0.13 -0.33 -0.53 0.00 0.00 176.83 176.93 2kpo h GLU 98 N 0.53 0.38 0.00 2.24 4.39 -1.00 -2.16 114.58 118.95 2kpo h GLU 98 Ca 0.02 -0.10 -0.04 0.00 0.34 0.00 0.00 59.36 59.57 2kpo h GLU 98 Cb 1.09 -0.04 -0.01 0.00 -0.10 0.00 0.00 28.75 29.69 2kpo h GLU 98 CO 0.11 0.52 -0.19 0.93 -1.16 0.00 0.00 179.01 179.21 2kpo h GLU 99 N 0.36 0.00 -2.99 2.33 4.39 -1.37 -3.47 114.58 113.83 2kpo h GLU 99 Ca 0.07 0.00 -0.29 0.00 0.34 0.00 0.00 59.36 59.47 2kpo h GLU 99 Cb 0.45 0.00 -0.04 0.00 -0.10 0.00 0.00 28.75 29.06 2kpo h GLU 99 CO 0.03 0.19 -0.35 0.41 -1.16 0.00 0.00 179.01 178.13 2kpo n GLY 100 N 0.18 0.01 2.31 -3.84 0.00 -0.81 -0.99 105.19 102.04 2kpo n GLY 100 Ca 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.89 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 -0.70 0.49 2.95 -0.02 0.00 -1.26 -5.01 105.19 101.64 2kpo n GLY 101 Ca -0.17 -0.36 -0.13 0.00 0.00 0.00 0.00 46.02 45.36 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 -2.60 -0.10 -0.03 1.61 0.01 -0.16 -5.08 113.70 107.35 2kpo s SER 102 Ca 0.00 0.24 -0.25 0.00 1.31 0.00 0.00 55.95 57.25 2kpo s SER 102 Cb 0.00 0.20 -0.20 0.00 0.21 0.00 0.00 66.02 66.23 2kpo s SER 102 CO 0.00 -0.09 1.18 -0.07 0.41 0.00 0.00 173.24 174.67 2kpo h LEU 103 N 6.52 -0.06 0.00 2.44 3.38 -1.95 -3.39 115.31 122.26 2kpo h LEU 103 Ca -0.33 -0.47 0.00 0.00 0.09 0.00 0.00 57.88 57.17 2kpo h LEU 103 Cb 1.17 0.01 0.00 0.00 0.09 0.00 0.00 40.66 41.94 2kpo h LEU 103 CO 0.44 0.46 -0.98 -1.84 0.09 0.00 0.00 178.44 176.60 2kpo n GLU 104 N -4.88 0.00 0.00 1.13 0.28 -1.26 -4.74 120.64 111.18 2kpo n GLU 104 Ca -0.09 0.00 0.11 0.00 -0.16 0.00 0.00 57.16 57.02 2kpo n GLU 104 Cb 0.27 -0.84 0.63 0.00 1.43 0.00 0.00 31.44 32.93 2kpo n GLU 104 CO 0.00 0.00 0.00 0.72 -0.16 0.00 0.00 177.13 177.69 2kpo n HIS 105 N -2.64 0.00 -2.04 -1.84 8.25 -1.26 -4.74 115.22 110.95 2kpo n HIS 105 Ca 0.00 0.00 -0.42 0.00 -0.26 0.00 0.00 57.72 57.04 2kpo n HIS 105 Cb 0.49 -0.05 -0.03 0.00 1.12 0.00 0.00 29.99 31.52 2kpo n HIS 105 CO 0.00 0.00 0.00 -3.38 0.64 0.00 0.00 176.34 173.60 2kpo s HIS 106 N -2.11 1.85 0.01 4.41 -3.43 -1.26 -4.76 115.29 110.00 2kpo s HIS 106 Ca 0.31 0.65 0.00 0.00 -0.80 0.00 0.00 55.06 55.22 2kpo s HIS 106 Cb 0.15 -4.14 0.00 0.00 -1.43 0.00 0.00 32.58 27.16 2kpo s HIS 106 CO 0.27 -2.78 0.00 0.72 -2.00 0.00 0.00 174.74 170.95 2kpo n HIS 107 N 10.44 -0.04 -2.79 0.38 8.25 -1.26 -5.00 115.22 125.20 2kpo n HIS 107 Ca 0.22 0.01 -0.43 0.00 -0.26 0.00 0.00 57.72 57.26 2kpo n HIS 107 Cb 0.47 0.19 -0.04 0.00 1.12 0.00 0.00 29.99 31.74 2kpo n HIS 107 CO 0.00 0.00 0.00 -1.58 0.64 0.00 0.00 176.34 175.40 2kpo s HIS 108 N -1.04 2.64 0.63 4.41 5.65 -1.26 -5.03 115.29 121.29 2kpo s HIS 108 Ca 0.00 -0.55 -0.05 0.00 0.25 0.00 0.00 55.06 54.71 2kpo s HIS 108 Cb 0.00 -4.37 0.03 0.00 -1.18 0.00 0.00 32.58 27.06 2kpo s HIS 108 CO 0.00 -1.73 0.92 -3.38 -0.65 0.00 0.00 174.74 169.90 2kpo s HIS 109 N 4.28 3.05 -2.00 3.88 -3.43 -1.26 -5.12 115.29 114.69 2kpo s HIS 109 Ca 0.27 0.43 0.22 0.00 -0.80 0.00 0.00 55.06 55.18 2kpo s HIS 109 Cb -0.13 -2.91 1.31 0.00 -1.43 0.00 0.00 32.58 29.41 2kpo s HIS 109 CO 0.08 -1.06 1.68 1.58 -2.00 0.00 0.00 174.74 175.03