#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 4.14 -0.23 -0.89 1.02 0.12 -5.00 118.68 117.84 2kpo s LEU 2 Ca 0.00 1.39 0.01 0.00 0.02 0.00 0.00 54.13 55.54 2kpo s LEU 2 Cb 0.00 -3.51 0.04 0.00 0.02 0.00 0.00 46.19 42.74 2kpo s LEU 2 CO 0.00 -0.60 -0.12 -0.76 0.02 0.00 0.00 176.35 174.90 2kpo s LEU 3 N 2.85 2.99 0.26 1.79 1.43 -1.26 -0.21 118.68 126.53 2kpo s LEU 3 Ca 0.44 -1.01 0.11 0.00 -1.03 0.00 0.00 54.13 52.65 2kpo s LEU 3 Cb -0.16 -1.57 -0.05 0.00 0.03 0.00 0.00 46.19 44.44 2kpo s LEU 3 CO 0.09 -0.12 -0.20 -0.31 0.23 0.00 0.00 176.35 176.05 2kpo s TYR 4 N 1.23 2.21 -0.06 0.29 1.51 0.02 -3.78 117.35 118.77 2kpo s TYR 4 Ca -0.02 -0.36 0.01 0.00 -1.01 0.00 0.00 57.07 55.69 2kpo s TYR 4 Cb -0.17 -0.98 0.02 0.00 -0.11 0.00 0.00 41.96 40.72 2kpo s TYR 4 CO -0.07 0.64 -0.08 0.08 -1.11 0.00 0.00 175.55 175.01 2kpo s VAL 5 N -2.46 0.83 -0.34 0.71 1.01 -1.15 -0.87 120.40 118.13 2kpo s VAL 5 Ca 0.28 -0.28 -0.08 0.00 0.00 0.00 0.00 61.98 61.90 2kpo s VAL 5 Cb -0.05 -0.81 0.03 0.00 0.00 0.00 0.00 36.38 35.55 2kpo s VAL 5 CO 0.13 0.29 0.13 -0.76 0.00 0.00 0.00 175.10 174.90 2kpo s LEU 6 N 0.91 4.31 -0.19 3.92 1.43 0.63 -0.41 118.68 129.28 2kpo s LEU 6 Ca -0.11 -0.97 -0.07 0.00 -1.03 0.00 0.00 54.13 51.95 2kpo s LEU 6 Cb -0.15 -1.92 -0.04 0.00 0.03 0.00 0.00 46.19 44.12 2kpo s LEU 6 CO 0.01 -0.31 0.04 -0.51 0.23 0.00 0.00 176.35 175.81 2kpo s ILE 7 N 1.48 4.50 -0.30 -0.59 2.07 -0.56 -0.26 121.20 127.54 2kpo s ILE 7 Ca 0.01 -0.13 0.03 0.00 -1.41 0.00 0.00 60.65 59.15 2kpo s ILE 7 Cb -0.19 -3.03 0.08 0.00 0.13 0.00 0.00 42.46 39.45 2kpo s ILE 7 CO 0.04 0.44 -0.02 -0.63 -1.91 0.00 0.00 174.94 172.86 2kpo s ILE 8 N 0.61 2.27 0.28 2.00 1.01 0.13 -0.96 121.20 126.53 2kpo s ILE 8 Ca 0.02 -1.98 -0.15 0.00 0.00 0.00 0.00 60.65 58.54 2kpo s ILE 8 Cb -0.13 -2.51 0.01 0.00 0.01 0.00 0.00 42.46 39.84 2kpo s ILE 8 CO 0.02 -0.32 0.59 -0.55 0.00 0.00 0.00 174.94 174.68 2kpo s SER 9 N 1.02 -0.08 -0.09 3.58 0.15 -1.26 -2.43 113.70 114.59 2kpo s SER 9 Ca 0.01 -0.87 0.05 0.00 0.70 0.00 0.00 55.95 55.85 2kpo s SER 9 Cb -0.20 0.67 -0.10 0.00 -1.71 0.00 0.00 66.02 64.69 2kpo s SER 9 CO -0.06 -1.28 -0.01 -3.20 1.20 0.00 0.00 173.24 169.89 2kpo n ASN 10 N -0.57 2.95 -4.63 5.45 5.15 -1.26 -4.96 115.26 117.39 2kpo n ASN 10 Ca -0.03 -0.02 -0.43 0.00 -0.60 0.00 0.00 54.58 53.50 2kpo n ASN 10 Cb 0.61 0.42 -0.02 0.00 -0.53 0.00 0.00 39.78 40.26 2kpo n ASN 10 CO 0.00 0.00 0.00 -1.81 1.40 0.00 0.00 177.26 176.85 2kpo s ASP 11 N -4.39 6.85 0.62 1.20 1.01 -1.26 -4.89 116.67 115.80 2kpo s ASP 11 Ca -0.08 0.97 0.31 0.00 0.71 0.00 0.00 52.55 54.47 2kpo s ASP 11 Cb 0.03 -2.54 1.70 0.00 1.01 0.00 0.00 42.92 43.12 2kpo s ASP 11 CO 0.32 -0.97 2.04 0.11 0.21 0.00 0.00 175.17 176.88 2kpo h LYS 12 N 8.44 0.00 0.01 8.23 1.79 -1.99 -2.15 116.57 130.90 2kpo h LYS 12 Ca -0.22 0.00 0.02 0.00 -2.18 0.00 0.00 60.65 58.27 2kpo h LYS 12 Cb 1.07 0.00 -0.02 0.00 -1.58 0.00 0.00 32.23 31.69 2kpo h LYS 12 CO 1.05 0.00 -0.11 0.87 -1.08 0.00 0.00 179.45 180.18 2kpo h LYS 13 N 0.00 -0.18 -0.35 3.15 6.56 -2.00 0.58 116.57 124.33 2kpo h LYS 13 Ca 0.08 0.01 -0.17 0.00 -1.06 0.00 0.00 60.65 59.51 2kpo h LYS 13 Cb 0.62 0.04 -0.00 0.00 -0.57 0.00 0.00 32.23 32.32 2kpo h LYS 13 CO -0.00 -0.12 -0.45 1.25 -2.06 0.00 0.00 179.45 178.07 2kpo h LEU 14 N -0.19 1.00 -0.25 2.94 6.46 -1.79 -2.76 115.31 120.72 2kpo h LEU 14 Ca 0.04 -0.49 -0.00 0.00 -0.12 0.00 0.00 57.88 57.31 2kpo h LEU 14 Cb 0.24 -0.28 -0.01 0.00 -0.73 0.00 0.00 40.66 39.87 2kpo h LEU 14 CO -0.11 1.29 0.14 0.40 -0.62 0.00 0.00 178.44 179.55 2kpo h ILE 15 N 0.74 1.11 -0.36 4.05 2.04 -1.23 -0.54 117.51 123.31 2kpo h ILE 15 Ca 0.04 -0.27 -0.07 0.00 1.00 0.00 0.00 64.86 65.56 2kpo h ILE 15 Cb 1.05 0.84 -0.01 0.00 -0.74 0.00 0.00 36.82 37.95 2kpo h ILE 15 CO 0.11 0.11 -0.04 -0.33 0.00 0.00 0.00 178.15 177.99 2kpo h GLU 16 N 0.30 0.67 -0.75 2.37 5.08 -0.92 -0.37 114.58 120.96 2kpo h GLU 16 Ca 0.09 -0.24 -0.01 0.00 -1.00 0.00 0.00 59.36 58.20 2kpo h GLU 16 Cb 0.04 -0.05 -0.04 0.00 0.50 0.00 0.00 28.75 29.21 2kpo h GLU 16 CO -0.02 0.80 0.42 0.93 -1.00 0.00 0.00 179.01 180.15 2kpo h GLU 17 N 0.48 1.04 -0.65 2.33 4.39 -1.44 -0.20 114.58 120.52 2kpo h GLU 17 Ca 0.10 -0.11 -0.00 0.00 0.34 0.00 0.00 59.36 59.68 2kpo h GLU 17 Cb 0.53 -0.21 -0.03 0.00 -0.10 0.00 0.00 28.75 28.94 2kpo h GLU 17 CO 0.03 0.77 0.40 0.00 -1.16 0.00 0.00 179.01 179.04 2kpo h ALA 18 N 1.22 0.83 0.03 3.43 0.00 -0.92 -1.74 119.26 122.11 2kpo h ALA 18 Ca 0.27 -0.07 0.01 0.00 0.00 0.00 0.00 54.91 55.11 2kpo h ALA 18 Cb 0.02 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 17.53 2kpo h ALA 18 CO -0.04 0.30 -0.09 0.00 0.00 0.00 0.00 179.25 179.42 2kpo h ARG 19 N 0.89 -0.16 -0.68 0.00 3.08 -0.63 0.22 114.38 117.10 2kpo h ARG 19 Ca 0.24 0.01 0.14 0.00 0.07 0.00 0.00 59.98 60.44 2kpo h ARG 19 Cb -0.03 0.04 -0.10 0.00 0.08 0.00 0.00 29.97 29.95 2kpo h ARG 19 CO -0.04 -0.11 0.11 0.87 -1.07 0.00 0.00 179.97 179.73 2kpo h LYS 20 N -0.17 0.21 -0.30 0.04 1.57 -0.79 -0.13 116.57 117.01 2kpo h LYS 20 Ca 0.02 -0.01 -0.02 0.00 -1.87 0.00 0.00 60.65 58.77 2kpo h LYS 20 Cb 0.19 -0.05 -0.01 0.00 0.08 0.00 0.00 32.23 32.44 2kpo h LYS 20 CO -0.07 0.14 0.11 0.52 -0.57 0.00 0.00 179.45 179.57 2kpo h MET 21 N 0.21 0.45 -0.79 3.15 2.86 -1.03 -2.67 114.93 117.11 2kpo h MET 21 Ca 0.37 -0.09 0.09 0.00 -2.06 0.00 0.00 59.70 58.01 2kpo h MET 21 Cb 0.61 -0.07 -0.05 0.00 0.06 0.00 0.00 31.60 32.15 2kpo h MET 21 CO -0.50 0.49 0.52 0.00 1.06 0.00 0.00 176.91 178.47 2kpo h ALA 22 N 0.94 1.72 -0.29 6.32 0.00 0.28 0.03 119.26 128.26 2kpo h ALA 22 Ca 0.10 -0.01 -0.04 0.00 0.00 0.00 0.00 54.91 54.96 2kpo h ALA 22 Cb 0.21 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.81 2kpo h ALA 22 CO -0.01 0.13 0.04 0.93 0.00 0.00 0.00 179.25 180.35 2kpo h GLU 23 N 0.77 0.49 0.00 0.00 4.39 -0.90 0.37 114.58 119.70 2kpo h GLU 23 Ca 0.36 -0.13 -0.05 0.00 0.34 0.00 0.00 59.36 59.87 2kpo h GLU 23 Cb 0.38 -0.05 -0.01 0.00 -0.10 0.00 0.00 28.75 28.96 2kpo h GLU 23 CO -0.13 0.60 -0.23 0.87 -1.16 0.00 0.00 179.01 178.95 2kpo h LYS 24 N 0.30 0.00 -0.02 2.33 6.56 -0.97 -2.37 116.57 122.40 2kpo h LYS 24 Ca 0.09 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.68 2kpo h LYS 24 Cb 0.35 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 32.01 2kpo h LYS 24 CO 0.01 0.23 -0.24 0.00 -2.06 0.00 0.00 179.45 177.39 2kpo n ALA 25 N -2.49 3.03 -2.11 3.86 0.00 -0.09 -4.95 120.51 117.75 2kpo n ALA 25 Ca -0.02 -0.53 -0.20 0.00 0.00 0.00 0.00 53.44 52.69 2kpo n ALA 25 Cb 0.29 -0.98 -0.03 0.00 0.00 0.00 0.00 19.45 18.72 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 0.02 -5.56 -4.78 0.00 4.05 0.84 -4.98 115.26 104.84 2kpo n ASN 26 Ca 0.13 0.15 -0.38 0.00 0.45 0.00 0.00 54.58 54.93 2kpo n ASN 26 Cb 0.43 -4.66 -0.06 0.00 1.23 0.00 0.00 39.78 36.72 2kpo n ASN 26 CO 0.00 0.00 0.00 -0.76 -3.05 0.00 0.00 177.26 173.45 2kpo s LEU 27 N -5.29 4.36 -0.56 1.20 1.43 0.95 -5.00 118.68 115.78 2kpo s LEU 27 Ca 0.00 0.79 -0.27 0.00 -1.03 0.00 0.00 54.13 53.62 2kpo s LEU 27 Cb 0.00 -2.54 0.03 0.00 0.03 0.00 0.00 46.19 43.71 2kpo s LEU 27 CO 0.00 0.18 1.13 -0.70 0.23 0.00 0.00 176.35 177.19 2kpo s GLU 28 N -0.22 3.50 -0.03 1.70 2.12 -1.25 -4.45 118.70 120.07 2kpo s GLU 28 Ca 0.22 0.17 -0.25 0.00 0.36 0.00 0.00 54.97 55.47 2kpo s GLU 28 Cb -0.15 -4.01 -0.04 0.00 0.26 0.00 0.00 34.13 30.19 2kpo s GLU 28 CO 0.10 -1.60 0.77 -1.17 -0.54 0.00 0.00 175.26 172.82 2kpo s LEU 29 N 4.67 4.35 -0.13 2.70 0.20 -1.26 -2.95 118.68 126.27 2kpo s LEU 29 Ca 0.41 1.34 0.01 0.00 0.69 0.00 0.00 54.13 56.58 2kpo s LEU 29 Cb -0.08 -3.21 -0.01 0.00 -0.43 0.00 0.00 46.19 42.45 2kpo s LEU 29 CO 0.25 -0.12 -0.17 -0.13 -0.29 0.00 0.00 176.35 175.89 2kpo s ARG 30 N 0.67 3.25 -0.36 1.98 1.81 0.45 -4.98 118.95 121.76 2kpo s ARG 30 Ca 0.41 -0.76 -0.19 0.00 -1.72 0.00 0.00 55.73 53.47 2kpo s ARG 30 Cb -0.19 -2.54 0.00 0.00 -0.45 0.00 0.00 34.95 31.78 2kpo s ARG 30 CO 0.21 0.15 0.54 0.95 -0.68 0.00 0.00 175.30 176.48 2kpo s THR 31 N 0.47 4.98 0.01 0.02 -4.23 -1.26 -1.49 115.64 114.13 2kpo s THR 31 Ca -0.12 0.32 -0.10 0.00 -1.18 0.00 0.00 61.69 60.61 2kpo s THR 31 Cb -0.16 -4.01 -0.05 0.00 1.34 0.00 0.00 72.50 69.61 2kpo s THR 31 CO 0.05 -0.29 0.34 -0.69 -0.54 0.00 0.00 174.62 173.49 2kpo s VAL 32 N 2.48 5.18 0.01 2.29 1.01 -0.14 -4.96 120.40 126.27 2kpo s VAL 32 Ca 0.20 0.48 -0.03 0.00 0.00 0.00 0.00 61.98 62.62 2kpo s VAL 32 Cb -0.15 -3.61 -0.01 0.00 0.00 0.00 0.00 36.38 32.60 2kpo s VAL 32 CO 0.14 0.45 -0.07 0.29 0.00 0.00 0.00 175.10 175.91 2kpo n LYS 33 N 1.41 0.10 -3.51 2.72 4.76 -1.26 -4.36 118.16 118.02 2kpo n LYS 33 Ca -0.12 0.04 -0.22 0.00 -2.87 0.00 0.00 58.31 55.14 2kpo n LYS 33 Cb 0.53 -0.55 -0.00 0.00 -1.84 0.00 0.00 35.03 33.17 2kpo n LYS 33 CO 0.00 0.00 0.00 0.95 -1.37 0.00 0.00 177.40 176.98 2kpo s THR 34 N -1.79 2.26 0.22 -0.18 -4.23 -1.26 -4.97 115.64 105.69 2kpo s THR 34 Ca -0.06 -1.29 -0.09 0.00 -1.18 0.00 0.00 61.69 59.08 2kpo s THR 34 Cb 0.01 -2.55 0.19 0.00 1.34 0.00 0.00 72.50 71.49 2kpo s THR 34 CO 0.08 0.00 1.89 -0.08 -0.54 0.00 0.00 174.62 175.97 2kpo h GLU 35 N 0.73 1.08 -0.77 3.99 4.81 -2.00 -1.99 114.58 120.43 2kpo h GLU 35 Ca -0.37 -0.06 0.06 0.00 -0.13 0.00 0.00 59.36 58.85 2kpo h GLU 35 Cb 1.28 -0.24 -0.06 0.00 0.63 0.00 0.00 28.75 30.36 2kpo h GLU 35 CO 0.53 0.71 0.46 0.22 -0.73 0.00 0.00 179.01 180.20 2kpo h ASP 36 N 1.11 0.71 -0.49 1.04 3.58 -1.99 -1.86 116.42 118.52 2kpo h ASP 36 Ca 0.31 0.02 0.00 0.00 0.42 0.00 0.00 57.03 57.78 2kpo h ASP 36 Cb -0.10 -0.13 -0.02 0.00 1.72 0.00 0.00 39.33 40.80 2kpo h ASP 36 CO -0.08 0.46 0.31 -0.33 -2.88 0.00 0.00 179.24 176.72 2kpo h GLU 37 N 0.85 0.66 -0.06 0.28 4.39 -1.81 0.26 114.58 119.14 2kpo h GLU 37 Ca 0.34 -0.05 0.04 0.00 0.34 0.00 0.00 59.36 60.02 2kpo h GLU 37 Cb 0.16 -0.14 -0.05 0.00 -0.10 0.00 0.00 28.75 28.62 2kpo h GLU 37 CO -0.17 0.46 -0.24 1.25 -1.16 0.00 0.00 179.01 179.15 2kpo h LEU 38 N 0.66 -0.74 -0.42 1.33 7.12 -0.79 0.66 115.31 123.13 2kpo h LEU 38 Ca 0.18 0.11 0.05 0.00 0.13 0.00 0.00 57.88 58.35 2kpo h LEU 38 Cb -0.04 0.32 -0.05 0.00 -0.53 0.00 0.00 40.66 40.36 2kpo h LEU 38 CO -0.04 -0.30 0.14 0.50 -0.13 0.00 0.00 178.44 178.61 2kpo h LYS 39 N -0.35 0.30 -0.69 1.25 3.64 -1.19 -1.64 116.57 117.88 2kpo h LYS 39 Ca 0.08 -0.02 0.10 0.00 -1.27 0.00 0.00 60.65 59.54 2kpo h LYS 39 Cb 0.46 -0.07 -0.08 0.00 -0.41 0.00 0.00 32.23 32.14 2kpo h LYS 39 CO -0.26 0.20 0.31 -0.22 -2.27 0.00 0.00 179.45 177.20 2kpo h LYS 40 N 0.31 0.50 -0.12 1.90 3.64 0.34 -1.35 116.57 121.79 2kpo h LYS 40 Ca 0.20 -0.03 -0.16 0.00 -1.27 0.00 0.00 60.65 59.38 2kpo h LYS 40 Cb 0.19 -0.11 -0.01 0.00 -0.41 0.00 0.00 32.23 31.89 2kpo h LYS 40 CO -0.20 0.33 -0.62 1.88 -2.27 0.00 0.00 179.45 178.57 2kpo h TYR 41 N 0.52 0.53 -0.29 1.91 0.05 -0.67 -3.20 116.97 115.81 2kpo h TYR 41 Ca 0.35 -0.20 0.04 0.00 0.05 0.00 0.00 58.73 58.96 2kpo h TYR 41 Cb 0.42 -0.09 -0.03 0.00 1.01 0.00 0.00 36.73 38.03 2kpo h TYR 41 CO -0.13 0.92 0.08 -0.07 -1.05 0.00 0.00 178.16 177.90 2kpo h LEU 42 N 0.30 0.06 -1.32 3.88 3.38 -0.28 -0.84 115.31 120.49 2kpo h LEU 42 Ca -0.01 0.04 0.04 0.00 0.09 0.00 0.00 57.88 58.04 2kpo h LEU 42 Cb 1.15 0.04 -0.04 0.00 0.09 0.00 0.00 40.66 41.90 2kpo h LEU 42 CO 0.11 0.07 0.49 -0.33 0.09 0.00 0.00 178.44 178.86 2kpo h GLU 43 N 0.19 0.84 -0.39 1.13 5.08 -1.47 0.16 114.58 120.12 2kpo h GLU 43 Ca 0.13 -0.05 -0.04 0.00 -1.00 0.00 0.00 59.36 58.40 2kpo h GLU 43 Cb 0.12 -0.19 -0.02 0.00 0.50 0.00 0.00 28.75 29.16 2kpo h GLU 43 CO -0.15 0.56 0.06 1.49 -1.00 0.00 0.00 179.01 179.96 2kpo h GLU 44 N 0.87 0.59 0.01 2.33 4.81 -1.29 -2.78 114.58 119.12 2kpo h GLU 44 Ca 0.30 -0.11 -0.23 0.00 -0.13 0.00 0.00 59.36 59.19 2kpo h GLU 44 Cb 0.11 -0.09 -0.03 0.00 0.63 0.00 0.00 28.75 29.37 2kpo h GLU 44 CO -0.09 0.57 -1.11 0.74 -0.73 0.00 0.00 179.01 178.39 2kpo h PHE 45 N 0.57 0.04 -0.62 0.92 0.05 0.16 -3.30 116.94 114.76 2kpo h PHE 45 Ca 0.13 -0.03 0.18 0.00 3.82 0.00 0.00 57.97 62.07 2kpo h PHE 45 Cb 0.27 -0.00 -0.02 0.00 2.00 0.00 0.00 35.95 38.20 2kpo h PHE 45 CO 0.01 1.03 0.53 0.00 -0.18 0.00 0.00 178.31 179.70 2kpo h ARG 46 N 0.01 0.00 -0.88 1.51 3.08 -0.45 -0.11 114.38 117.53 2kpo h ARG 46 Ca -0.05 0.00 0.18 0.00 0.07 0.00 0.00 59.98 60.17 2kpo h ARG 46 Cb 1.82 0.00 -0.11 0.00 0.08 0.00 0.00 29.97 31.76 2kpo h ARG 46 CO 0.13 0.00 0.45 0.87 -1.07 0.00 0.00 179.97 180.35 2kpo h LYS 47 N 0.00 0.55 -0.72 0.04 1.57 -1.64 -2.93 116.57 113.45 2kpo h LYS 47 Ca 0.29 -0.03 -0.51 0.00 -1.87 0.00 0.00 60.65 58.53 2kpo h LYS 47 Cb 1.35 -0.12 -0.43 0.00 0.08 0.00 0.00 32.23 33.11 2kpo h LYS 47 CO -0.00 0.37 -0.86 0.39 -0.57 0.00 0.00 179.45 178.78 2kpo n GLU 48 N -4.91 3.39 0.17 3.15 -0.58 -0.07 -4.77 120.64 117.02 2kpo n GLU 48 Ca 0.20 -4.09 0.10 0.00 -0.42 0.00 0.00 57.16 52.94 2kpo n GLU 48 Cb 0.53 -2.20 0.54 0.00 -0.57 0.00 0.00 31.44 29.73 2kpo n GLU 48 CO 0.00 0.00 0.00 1.03 -0.48 0.00 0.00 177.13 177.68 2kpo h SER 49 N 2.24 0.00 0.32 1.62 0.87 -1.31 -1.94 113.55 115.34 2kpo h SER 49 Ca 0.31 0.00 -0.00 0.00 -1.23 0.00 0.00 61.79 60.86 2kpo h SER 49 Cb 1.50 0.00 -0.02 0.00 -0.44 0.00 0.00 62.40 63.45 2kpo h SER 49 CO 0.69 0.00 -0.27 1.56 -0.53 0.00 0.00 176.83 178.27 2kpo h GLN 50 N 0.00 -0.59 0.00 2.24 1.08 -1.86 -3.36 115.11 112.63 2kpo h GLN 50 Ca 0.00 0.04 0.00 0.00 -1.45 0.00 0.00 58.65 57.24 2kpo h GLN 50 Cb 0.22 0.13 0.00 0.00 -0.05 0.00 0.00 27.48 27.79 2kpo h GLN 50 CO 0.00 -0.39 -0.05 0.09 -0.95 0.00 0.00 178.83 177.52 2kpo n ASN 51 N -5.40 1.79 -4.88 1.46 3.02 -0.89 -5.06 115.26 105.29 2kpo n ASN 51 Ca -0.09 -2.43 -0.36 0.00 -0.03 0.00 0.00 54.58 51.67 2kpo n ASN 51 Cb 0.30 -0.22 -0.06 0.00 -0.61 0.00 0.00 39.78 39.19 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 -1.69 5.45 -0.10 2.41 2.07 -0.78 -0.70 121.20 127.85 2kpo s ILE 52 Ca 0.15 0.15 0.01 0.00 -1.41 0.00 0.00 60.65 59.55 2kpo s ILE 52 Cb 0.13 -3.46 0.02 0.00 0.13 0.00 0.00 42.46 39.28 2kpo s ILE 52 CO 0.01 0.53 -0.11 -0.54 -1.91 0.00 0.00 174.94 172.92 2kpo s LYS 53 N -1.31 1.81 -0.19 3.50 -0.14 0.71 -4.75 119.74 119.37 2kpo s LYS 53 Ca 0.19 -0.40 -0.02 0.00 -1.36 0.00 0.00 55.97 54.39 2kpo s LYS 53 Cb -0.12 -1.66 -0.00 0.00 -1.68 0.00 0.00 37.83 34.36 2kpo s LYS 53 CO 0.09 -0.14 -0.11 0.08 -0.76 0.00 0.00 175.35 174.51 2kpo s VAL 54 N 1.26 2.95 -0.31 3.17 1.01 -1.18 -0.80 120.40 126.49 2kpo s VAL 54 Ca -0.03 -0.65 -0.16 0.00 0.00 0.00 0.00 61.98 61.14 2kpo s VAL 54 Cb -0.14 -2.29 -0.02 0.00 0.00 0.00 0.00 36.38 33.93 2kpo s VAL 54 CO -0.04 0.48 0.40 -0.22 0.00 0.00 0.00 175.10 175.72 2kpo s LEU 55 N 1.13 4.25 -0.30 3.92 2.96 -0.05 -0.45 118.68 130.14 2kpo s LEU 55 Ca 0.01 0.03 -0.09 0.00 -0.22 0.00 0.00 54.13 53.87 2kpo s LEU 55 Cb -0.14 -2.43 -0.01 0.00 0.50 0.00 0.00 46.19 44.10 2kpo s LEU 55 CO -0.03 -0.31 0.12 -0.63 -1.32 0.00 0.00 176.35 174.18 2kpo s ILE 56 N 2.13 4.43 -0.32 6.68 1.01 0.10 -0.27 121.20 134.96 2kpo s ILE 56 Ca 0.15 -0.41 -0.11 0.00 0.00 0.00 0.00 60.65 60.27 2kpo s ILE 56 Cb -0.16 -3.23 -0.01 0.00 0.01 0.00 0.00 42.46 39.07 2kpo s ILE 56 CO 0.11 0.13 0.19 -0.76 0.00 0.00 0.00 174.94 174.61 2kpo s LEU 57 N 1.59 4.28 -0.00 2.97 2.01 0.64 -0.57 118.68 129.60 2kpo s LEU 57 Ca 0.05 -0.49 0.04 0.00 0.01 0.00 0.00 54.13 53.73 2kpo s LEU 57 Cb -0.17 -2.06 -0.03 0.00 0.01 0.00 0.00 46.19 43.95 2kpo s LEU 57 CO 0.05 -0.21 -0.10 0.68 1.01 0.00 0.00 176.35 177.78 2kpo s VAL 58 N 1.66 3.40 -0.17 -1.59 -7.23 -0.26 -0.69 120.40 115.50 2kpo s VAL 58 Ca 0.05 -0.82 0.18 0.00 -1.81 0.00 0.00 61.98 59.59 2kpo s VAL 58 Cb -0.17 -2.44 0.15 0.00 0.56 0.00 0.00 36.38 34.48 2kpo s VAL 58 CO 0.08 0.43 1.54 -1.28 -0.31 0.00 0.00 175.10 175.57 2kpo h SER 59 N 4.72 0.00 -4.83 4.85 0.87 -1.65 0.56 113.55 118.08 2kpo h SER 59 Ca -0.48 0.00 -0.19 0.00 -1.23 0.00 0.00 61.79 59.89 2kpo h SER 59 Cb 1.16 0.00 -0.15 0.00 -0.44 0.00 0.00 62.40 62.97 2kpo h SER 59 CO 0.52 0.34 -0.69 0.20 -0.53 0.00 0.00 176.83 176.67 2kpo s ASN 60 N -6.36 0.90 0.27 6.23 0.01 -1.26 -4.76 114.94 109.98 2kpo s ASN 60 Ca 0.04 -0.98 -0.01 0.00 -0.71 0.00 0.00 52.86 51.20 2kpo s ASN 60 Cb 0.07 0.13 0.38 0.00 0.41 0.00 0.00 41.25 42.24 2kpo s ASN 60 CO 0.71 -0.50 1.78 0.44 -1.51 0.00 0.00 177.10 178.02 2kpo h ASP 61 N 3.10 0.71 -0.28 -1.22 3.32 -1.99 -1.30 116.42 118.76 2kpo h ASP 61 Ca -0.35 -0.16 0.04 0.00 0.02 0.00 0.00 57.03 56.58 2kpo h ASP 61 Cb 1.16 -0.19 -0.04 0.00 0.22 0.00 0.00 39.33 40.48 2kpo h ASP 61 CO 0.64 0.78 0.03 -0.08 -1.72 0.00 0.00 179.24 178.89 2kpo h GLU 62 N 0.70 0.12 -0.88 3.56 4.57 -2.00 -1.03 114.58 119.62 2kpo h GLU 62 Ca 0.14 -0.01 -0.01 0.00 -1.18 0.00 0.00 59.36 58.30 2kpo h GLU 62 Cb 0.43 -0.03 -0.04 0.00 -0.16 0.00 0.00 28.75 28.95 2kpo h GLU 62 CO 0.02 0.08 0.51 0.93 -1.18 0.00 0.00 179.01 179.37 2kpo h GLU 63 N 0.13 1.22 -0.28 1.92 4.39 -1.91 -1.77 114.58 118.28 2kpo h GLU 63 Ca 0.13 -0.13 0.05 0.00 0.34 0.00 0.00 59.36 59.76 2kpo h GLU 63 Cb 0.15 -0.25 -0.05 0.00 -0.10 0.00 0.00 28.75 28.51 2kpo h GLU 63 CO -0.19 0.87 -0.04 1.25 -1.16 0.00 0.00 179.01 179.74 2kpo h LEU 64 N 1.23 -0.19 0.71 1.33 5.85 -0.61 0.03 115.31 123.67 2kpo h LEU 64 Ca 0.31 0.07 -0.03 0.00 0.84 0.00 0.00 57.88 59.07 2kpo h LEU 64 Cb -0.01 0.15 0.01 0.00 0.37 0.00 0.00 40.66 41.17 2kpo h LEU 64 CO -0.05 -0.06 -0.34 0.44 -0.34 0.00 0.00 178.44 178.09 2kpo h ASP 65 N 0.04 -0.80 -0.69 1.25 3.45 -0.90 -2.44 116.42 116.33 2kpo h ASP 65 Ca 0.14 0.00 0.06 0.00 0.43 0.00 0.00 57.03 57.66 2kpo h ASP 65 Cb 0.20 0.21 -0.06 0.00 -0.56 0.00 0.00 39.33 39.12 2kpo h ASP 65 CO -0.26 -0.51 0.39 0.11 -1.57 0.00 0.00 179.24 177.39 2kpo h LYS 66 N -1.06 0.69 -0.10 3.56 1.79 -1.26 0.19 116.57 120.39 2kpo h LYS 66 Ca -0.10 -0.04 0.00 0.00 -2.18 0.00 0.00 60.65 58.34 2kpo h LYS 66 Cb 0.75 -0.16 -0.01 0.00 -1.58 0.00 0.00 32.23 31.24 2kpo h LYS 66 CO 0.16 0.46 0.05 0.00 -1.08 0.00 0.00 179.45 179.03 2kpo h ALA 67 N 1.36 0.11 -0.19 3.86 0.00 -1.01 -1.88 119.26 121.51 2kpo h ALA 67 Ca 0.31 0.00 -0.20 0.00 0.00 0.00 0.00 54.91 55.02 2kpo h ALA 67 Cb 0.19 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.97 2kpo h ALA 67 CO -0.19 -0.41 -0.69 1.57 0.00 0.00 0.00 179.25 179.54 2kpo h LYS 68 N 0.11 0.77 -0.20 0.00 2.10 -1.10 -2.47 116.57 115.79 2kpo h LYS 68 Ca 0.04 -0.57 0.01 0.00 -2.00 0.00 0.00 60.65 58.13 2kpo h LYS 68 Cb 0.00 0.10 -0.02 0.00 -0.90 0.00 0.00 32.23 31.42 2kpo h LYS 68 CO -0.03 1.19 0.10 0.93 -2.00 0.00 0.00 179.45 179.64 2kpo h GLU 69 N 0.55 0.20 0.68 0.07 5.08 -0.91 -1.22 114.58 119.04 2kpo h GLU 69 Ca -0.03 -0.01 -0.03 0.00 -1.00 0.00 0.00 59.36 58.29 2kpo h GLU 69 Cb 1.30 -0.05 0.01 0.00 0.50 0.00 0.00 28.75 30.51 2kpo h GLU 69 CO 0.14 0.13 -0.33 -0.07 -1.00 0.00 0.00 179.01 177.89 2kpo h LEU 70 N 0.21 -0.78 -0.53 1.33 3.38 -1.37 -2.68 115.31 114.87 2kpo h LEU 70 Ca 0.08 0.02 0.10 0.00 0.09 0.00 0.00 57.88 58.17 2kpo h LEU 70 Cb 0.02 0.20 -0.08 0.00 0.09 0.00 0.00 40.66 40.89 2kpo h LEU 70 CO -0.05 -0.55 0.08 0.00 0.09 0.00 0.00 178.44 178.00 2kpo h ALA 71 N -0.61 0.58 -0.63 1.53 0.00 -1.37 0.15 119.26 118.91 2kpo h ALA 71 Ca -0.09 0.13 0.06 0.00 0.00 0.00 0.00 54.91 55.00 2kpo h ALA 71 Cb 0.71 0.19 -0.05 0.00 0.00 0.00 0.00 17.79 18.64 2kpo h ALA 71 CO 0.15 -0.33 0.34 1.96 0.00 0.00 0.00 179.25 181.37 2kpo h GLN 72 N 0.20 0.62 0.00 0.00 4.20 -1.23 -1.33 115.11 117.57 2kpo h GLN 72 Ca 0.27 -0.04 -0.08 0.00 0.06 0.00 0.00 58.65 58.87 2kpo h GLN 72 Cb 0.40 -0.14 -0.01 0.00 0.30 0.00 0.00 27.48 28.03 2kpo h GLN 72 CO -0.38 0.41 -0.38 0.87 -0.67 0.00 0.00 178.83 178.68 2kpo h LYS 73 N 0.64 0.00 -0.61 1.46 1.57 -0.93 -3.05 116.57 115.65 2kpo h LYS 73 Ca 0.28 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.06 2kpo h LYS 73 Cb 0.18 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.49 2kpo h LYS 73 CO -0.18 0.38 0.00 -1.33 -0.57 0.00 0.00 179.45 177.75 2kpo n MET 74 N -3.39 2.79 -2.02 3.15 2.81 0.42 -4.92 117.12 115.96 2kpo n MET 74 Ca 0.01 -1.82 -0.12 0.00 -1.81 0.00 0.00 57.70 53.96 2kpo n MET 74 Cb 0.56 -1.69 -0.02 0.00 -0.71 0.00 0.00 33.22 31.37 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 0.61 -0.90 -4.43 0.03 1.02 -0.89 -4.92 120.64 111.16 2kpo n GLU 75 Ca 0.16 0.64 -0.33 0.00 -0.02 0.00 0.00 57.16 57.61 2kpo n GLU 75 Cb 0.63 -4.75 -0.15 0.00 -0.02 0.00 0.00 31.44 27.15 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 -2.54 2.85 -0.40 -3.67 1.01 -0.57 -4.96 121.20 112.92 2kpo s ILE 76 Ca 0.00 -0.70 -0.29 0.00 0.00 0.00 0.00 60.65 59.66 2kpo s ILE 76 Cb 0.00 -2.22 0.01 0.00 0.01 0.00 0.00 42.46 40.26 2kpo s ILE 76 CO 0.00 0.50 1.38 -1.81 0.00 0.00 0.00 174.94 175.01 2kpo s ASP 77 N 0.88 6.40 0.28 3.58 1.01 -1.26 -4.21 116.67 123.35 2kpo s ASP 77 Ca -0.03 0.87 0.08 0.00 0.71 0.00 0.00 52.55 54.17 2kpo s ASP 77 Cb -0.15 -2.54 -0.06 0.00 1.01 0.00 0.00 42.92 41.18 2kpo s ASP 77 CO -0.00 -1.37 -0.09 0.68 0.21 0.00 0.00 175.17 174.59 2kpo s VAL 78 N 5.21 1.89 -0.31 -1.27 -7.23 -1.26 -3.13 120.40 114.29 2kpo s VAL 78 Ca 0.60 -2.19 0.02 0.00 -1.81 0.00 0.00 61.98 58.60 2kpo s VAL 78 Cb -0.14 -2.42 0.09 0.00 0.56 0.00 0.00 36.38 34.47 2kpo s VAL 78 CO 0.31 -0.33 0.04 -0.13 -0.31 0.00 0.00 175.10 174.68 2kpo s ARG 79 N -3.66 1.34 -0.11 4.82 0.52 0.40 -4.96 118.95 117.29 2kpo s ARG 79 Ca 0.29 -1.50 -0.21 0.00 -0.52 0.00 0.00 55.73 53.79 2kpo s ARG 79 Cb 0.02 -2.77 -0.04 0.00 0.52 0.00 0.00 34.95 32.68 2kpo s ARG 79 CO 0.13 -0.88 0.59 0.95 0.02 0.00 0.00 175.30 176.11 2kpo s THR 80 N 1.17 5.10 -0.01 0.02 -4.23 -1.26 -0.72 115.64 115.71 2kpo s THR 80 Ca 0.07 1.19 0.00 0.00 -1.18 0.00 0.00 61.69 61.77 2kpo s THR 80 Cb -0.19 -3.93 0.01 0.00 1.34 0.00 0.00 72.50 69.74 2kpo s THR 80 CO -0.12 0.25 -0.01 -0.13 -0.54 0.00 0.00 174.62 174.07 2kpo s ARG 81 N 0.96 0.18 -0.28 3.99 1.81 0.26 -4.96 118.95 120.91 2kpo s ARG 81 Ca 0.31 0.01 -0.21 0.00 -1.72 0.00 0.00 55.73 54.11 2kpo s ARG 81 Cb -0.16 -0.27 -0.01 0.00 -0.45 0.00 0.00 34.95 34.06 2kpo s ARG 81 CO 0.13 -0.04 0.69 0.21 -0.68 0.00 0.00 175.30 175.61 2kpo s LYS 82 N 0.42 4.03 -0.05 3.54 2.20 -1.26 -1.10 119.74 127.51 2kpo s LYS 82 Ca -0.04 0.53 0.05 0.00 -0.36 0.00 0.00 55.97 56.16 2kpo s LYS 82 Cb -0.06 -3.69 -0.01 0.00 -1.51 0.00 0.00 37.83 32.56 2kpo s LYS 82 CO -0.01 -0.52 -0.22 0.14 -0.36 0.00 0.00 175.35 174.37 2kpo s VAL 83 N 2.67 1.83 -0.06 4.02 -7.23 0.19 -4.93 120.40 116.89 2kpo s VAL 83 Ca 0.28 -0.94 0.04 0.00 -1.81 0.00 0.00 61.98 59.55 2kpo s VAL 83 Cb -0.15 -1.56 -0.06 0.00 0.56 0.00 0.00 36.38 35.17 2kpo s VAL 83 CO 0.10 0.51 -0.00 0.35 -0.31 0.00 0.00 175.10 175.75 2kpo n THR 84 N 3.03 0.37 -3.69 5.32 -2.24 -1.26 -4.22 114.28 111.59 2kpo n THR 84 Ca -0.18 -0.20 -0.36 0.00 -2.27 0.00 0.00 64.05 61.04 2kpo n THR 84 Cb 0.52 -0.82 -0.07 0.00 -2.10 0.00 0.00 70.33 67.86 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 -3.95 6.40 0.38 3.42 0.01 -1.26 -5.00 113.70 113.69 2kpo s SER 85 Ca -0.05 0.46 0.15 0.00 1.31 0.00 0.00 55.95 57.83 2kpo s SER 85 Cb 0.02 -2.13 0.99 0.00 0.21 0.00 0.00 66.02 65.11 2kpo s SER 85 CO 0.20 0.24 1.82 -0.65 0.41 0.00 0.00 173.24 175.26 2kpo h PRO 86 N 5.96 0.49 -0.15 12.44 0.11 -1.95 -0.80 132.00 148.11 2kpo h PRO 86 Ca -0.46 -0.03 -0.04 0.00 0.11 0.00 0.00 66.00 65.58 2kpo h PRO 86 Cb 1.19 -0.11 -0.01 0.00 0.11 0.00 0.00 31.00 32.17 2kpo h PRO 86 CO 0.69 0.32 -0.07 0.22 -0.21 0.00 0.00 178.00 178.96 2kpo h ASP 87 N 0.51 0.21 0.29 -2.05 3.58 -1.97 -1.76 116.42 115.23 2kpo h ASP 87 Ca 0.52 -0.03 -0.01 0.00 0.42 0.00 0.00 57.03 57.93 2kpo h ASP 87 Cb 1.16 -0.05 0.00 0.00 1.72 0.00 0.00 39.33 42.16 2kpo h ASP 87 CO -0.25 0.31 -0.14 -0.33 -2.88 0.00 0.00 179.24 175.95 2kpo h GLU 88 N 0.22 -0.38 -0.85 0.28 4.39 -1.56 -0.59 114.58 116.10 2kpo h GLU 88 Ca 0.05 0.03 0.10 0.00 0.34 0.00 0.00 59.36 59.88 2kpo h GLU 88 Cb 0.27 0.09 -0.08 0.00 -0.10 0.00 0.00 28.75 28.93 2kpo h GLU 88 CO 0.01 -0.16 0.49 0.00 -1.16 0.00 0.00 179.01 178.19 2kpo h ALA 89 N 0.15 1.23 -0.25 3.43 0.00 -1.54 -0.10 119.26 122.20 2kpo h ALA 89 Ca -0.04 0.04 0.06 0.00 0.00 0.00 0.00 54.91 54.97 2kpo h ALA 89 Cb 0.39 -0.13 -0.06 0.00 0.00 0.00 0.00 17.79 17.98 2kpo h ALA 89 CO 0.07 0.09 -0.15 0.87 0.00 0.00 0.00 179.25 180.13 2kpo h LYS 90 N 0.80 -0.13 -0.05 0.00 1.57 -1.01 -2.18 116.57 115.57 2kpo h LYS 90 Ca 0.42 0.01 -0.01 0.00 -1.87 0.00 0.00 60.65 59.20 2kpo h LYS 90 Cb 0.41 0.03 -0.00 0.00 0.08 0.00 0.00 32.23 32.75 2kpo h LYS 90 CO -0.26 -0.09 0.01 -0.09 -0.57 0.00 0.00 179.45 178.45 2kpo h ARG 91 N -0.14 0.08 -1.01 3.15 2.43 -0.22 -2.80 114.38 115.88 2kpo h ARG 91 Ca 0.14 -0.02 0.11 0.00 -0.81 0.00 0.00 59.98 59.39 2kpo h ARG 91 Cb 0.34 -0.01 -0.08 0.00 -0.42 0.00 0.00 29.97 29.80 2kpo h ARG 91 CO -0.33 0.33 0.64 -1.49 -1.51 0.00 0.00 179.97 177.60 2kpo h TRP 92 N -0.18 1.16 -0.68 2.20 4.06 -0.93 0.31 115.95 121.89 2kpo h TRP 92 Ca 0.01 0.03 -0.02 0.00 2.06 0.00 0.00 58.89 60.98 2kpo h TRP 92 Cb 0.29 -0.37 -0.03 0.00 -1.00 0.00 0.00 29.16 28.04 2kpo h TRP 92 CO 0.02 0.50 0.35 0.82 -3.56 0.00 0.00 178.44 176.57 2kpo h ILE 93 N 1.05 1.22 0.71 1.49 2.04 -1.39 0.05 117.51 122.68 2kpo h ILE 93 Ca 0.48 -0.60 -0.03 0.00 1.00 0.00 0.00 64.86 65.71 2kpo h ILE 93 Cb 0.40 0.36 0.01 0.00 -0.74 0.00 0.00 36.82 36.85 2kpo h ILE 93 CO -0.24 0.25 -0.34 0.50 0.00 0.00 0.00 178.15 178.32 2kpo h LYS 94 N 0.95 -0.92 -0.74 2.37 3.64 -0.60 -1.86 116.57 119.41 2kpo h LYS 94 Ca 0.24 0.06 0.11 0.00 -1.27 0.00 0.00 60.65 59.79 2kpo h LYS 94 Cb 0.09 0.21 -0.08 0.00 -0.41 0.00 0.00 32.23 32.03 2kpo h LYS 94 CO -0.03 -0.60 0.35 0.93 -2.27 0.00 0.00 179.45 177.83 2kpo h GLU 95 N -0.97 0.55 -0.63 1.90 4.39 -0.43 -1.88 114.58 117.52 2kpo h GLU 95 Ca -0.10 -0.03 -0.03 0.00 0.34 0.00 0.00 59.36 59.54 2kpo h GLU 95 Cb 0.73 -0.12 -0.03 0.00 -0.10 0.00 0.00 28.75 29.23 2kpo h GLU 95 CO 0.16 0.37 0.29 0.35 -1.16 0.00 0.00 179.01 179.02 2kpo h PHE 96 N 0.57 0.92 0.00 4.33 3.04 -0.93 -2.07 116.94 122.80 2kpo h PHE 96 Ca 0.38 -0.05 -0.05 0.00 3.98 0.00 0.00 57.97 62.23 2kpo h PHE 96 Cb 0.47 -0.28 -0.01 0.00 2.56 0.00 0.00 35.95 38.69 2kpo h PHE 96 CO -0.12 0.70 -0.24 0.66 -2.02 0.00 0.00 178.31 177.29 2kpo h SER 97 N 0.87 0.00 1.49 0.41 4.64 -0.61 -1.83 113.55 118.52 2kpo h SER 97 Ca 0.21 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.53 2kpo h SER 97 Cb 0.14 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.23 2kpo h SER 97 CO -0.03 0.24 0.00 -0.33 -0.87 0.00 0.00 176.83 175.85 2kpo h GLU 98 N 0.00 0.00 0.33 4.77 5.08 -0.72 -3.32 114.58 120.73 2kpo h GLU 98 Ca -0.00 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.34 2kpo h GLU 98 Cb 0.47 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.72 2kpo h GLU 98 CO 0.03 0.00 -0.16 0.93 -1.00 0.00 0.00 179.01 178.81 2kpo h GLU 99 N 0.00 -0.43 -0.53 2.33 4.39 -0.68 -3.47 114.58 116.20 2kpo h GLU 99 Ca 0.00 0.03 -0.14 0.00 0.34 0.00 0.00 59.36 59.59 2kpo h GLU 99 Cb 0.74 0.10 -0.05 0.00 -0.10 0.00 0.00 28.75 29.44 2kpo h GLU 99 CO 0.00 -0.29 -0.12 0.41 -1.16 0.00 0.00 179.01 177.85 2kpo n GLY 100 N 0.43 0.63 7.00 -3.84 0.00 -1.18 -4.51 105.19 103.73 2kpo n GLY 100 Ca -0.06 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.96 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 0.31 1.37 3.20 -0.02 0.00 -1.26 -4.62 105.19 104.17 2kpo n GLY 101 Ca -0.07 0.19 0.04 0.00 0.00 0.00 0.00 46.02 46.19 2kpo n GLY 101 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2kpo s SER 102 N -4.00 -0.17 0.08 1.61 1.04 -1.26 -5.05 113.70 105.96 2kpo s SER 102 Ca 0.00 0.19 -0.16 0.00 0.48 0.00 0.00 55.95 56.46 2kpo s SER 102 Cb 0.00 1.17 -0.11 0.00 0.10 0.00 0.00 66.02 67.18 2kpo s SER 102 CO 0.00 -0.03 1.38 -0.07 0.98 0.00 0.00 173.24 175.50 2kpo h LEU 103 N 7.36 0.68 -7.80 2.42 3.38 -1.96 -3.38 115.31 116.01 2kpo h LEU 103 Ca -0.13 -0.50 -0.40 0.00 0.09 0.00 0.00 57.88 56.94 2kpo h LEU 103 Cb 1.14 -0.19 -0.03 0.00 0.09 0.00 0.00 40.66 41.66 2kpo h LEU 103 CO -0.00 1.04 1.31 -0.62 0.09 0.00 0.00 178.44 180.26 2kpo n GLU 104 N -4.30 1.74 0.01 1.13 4.71 -1.26 -4.51 120.64 118.16 2kpo n GLU 104 Ca -0.05 -2.48 0.11 0.00 -0.01 0.00 0.00 57.16 54.73 2kpo n GLU 104 Cb 0.48 -3.63 0.00 0.00 -1.01 0.00 0.00 31.44 27.29 2kpo n GLU 104 CO 0.00 0.00 0.00 1.58 0.09 0.00 0.00 177.13 178.80 2kpo n HIS 105 N 13.13 0.15 0.27 -0.32 -0.00 -1.26 -3.96 115.22 123.24 2kpo n HIS 105 Ca 0.46 0.04 0.16 0.00 0.46 0.00 0.00 57.72 58.84 2kpo n HIS 105 Cb 0.46 -0.32 0.52 0.00 -0.12 0.00 0.00 29.99 30.54 2kpo n HIS 105 CO 0.00 0.00 0.00 1.25 0.46 0.00 0.00 176.34 178.05 2kpo h HIS 106 N 0.00 0.00 -2.21 1.57 -0.00 -1.96 -3.41 115.15 109.14 2kpo h HIS 106 Ca 0.00 0.00 -0.25 0.00 -0.00 0.00 0.00 60.37 60.12 2kpo h HIS 106 Cb 0.67 0.00 -0.33 0.00 -0.00 0.00 0.00 27.41 27.75 2kpo h HIS 106 CO 0.00 0.00 -0.57 -1.58 -0.00 0.00 0.00 177.93 175.78 2kpo s HIS 107 N -3.51 -0.53 -0.28 5.26 5.65 -1.25 -5.14 115.29 115.48 2kpo s HIS 107 Ca 0.03 0.41 -0.06 0.00 0.25 0.00 0.00 55.06 55.69 2kpo s HIS 107 Cb 0.08 -0.22 0.01 0.00 -1.18 0.00 0.00 32.58 31.27 2kpo s HIS 107 CO 0.57 -0.70 0.06 -1.58 -0.65 0.00 0.00 174.74 172.45 2kpo s HIS 108 N 2.42 3.13 0.63 3.88 2.46 -1.26 -4.83 115.29 121.72 2kpo s HIS 108 Ca 0.10 -1.03 -0.15 0.00 0.47 0.00 0.00 55.06 54.45 2kpo s HIS 108 Cb -0.15 -2.22 -0.02 0.00 -0.13 0.00 0.00 32.58 30.05 2kpo s HIS 108 CO -0.17 -0.59 1.08 -3.38 -2.47 0.00 0.00 174.74 169.21 2kpo s HIS 109 N 1.48 2.87 -2.00 3.88 -3.43 -1.26 -5.18 115.29 111.65 2kpo s HIS 109 Ca 0.02 1.52 0.24 0.00 -0.80 0.00 0.00 55.06 56.05 2kpo s HIS 109 Cb -0.17 -3.05 1.45 0.00 -1.43 0.00 0.00 32.58 29.38 2kpo s HIS 109 CO 0.01 -1.33 1.82 1.58 -2.00 0.00 0.00 174.74 174.82