#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 4.19 -0.15 -0.89 1.02 0.11 -4.86 118.68 118.10 2kpo s LEU 2 Ca 0.00 1.76 0.00 0.00 0.02 0.00 0.00 54.13 55.91 2kpo s LEU 2 Cb 0.00 -3.54 0.02 0.00 0.02 0.00 0.00 46.19 42.69 2kpo s LEU 2 CO 0.00 -0.80 -0.14 -0.76 0.02 0.00 0.00 176.35 174.66 2kpo s LEU 3 N 3.64 1.68 0.21 1.79 1.43 -1.26 -0.64 118.68 125.53 2kpo s LEU 3 Ca 0.58 -0.48 0.08 0.00 -1.03 0.00 0.00 54.13 53.28 2kpo s LEU 3 Cb -0.23 -1.17 -0.05 0.00 0.03 0.00 0.00 46.19 44.77 2kpo s LEU 3 CO 0.17 -0.05 -0.15 -0.31 0.23 0.00 0.00 176.35 176.25 2kpo s TYR 4 N 1.45 1.74 -0.02 0.29 1.51 -0.54 -3.68 117.35 118.09 2kpo s TYR 4 Ca 0.04 -0.56 0.03 0.00 -1.01 0.00 0.00 57.07 55.57 2kpo s TYR 4 Cb -0.13 -0.81 -0.00 0.00 -0.11 0.00 0.00 41.96 40.91 2kpo s TYR 4 CO -0.10 0.37 -0.12 0.08 -1.11 0.00 0.00 175.55 174.68 2kpo s VAL 5 N -2.95 0.97 -0.09 0.71 1.01 -0.08 -0.51 120.40 119.45 2kpo s VAL 5 Ca 0.23 -0.48 0.04 0.00 0.00 0.00 0.00 61.98 61.77 2kpo s VAL 5 Cb -0.01 -0.84 0.00 0.00 0.00 0.00 0.00 36.38 35.54 2kpo s VAL 5 CO 0.07 0.29 -0.22 -0.76 0.00 0.00 0.00 175.10 174.48 2kpo s LEU 6 N 0.03 2.00 -0.08 3.92 1.43 0.68 -0.68 118.68 125.97 2kpo s LEU 6 Ca -0.01 -0.50 0.05 0.00 -1.03 0.00 0.00 54.13 52.63 2kpo s LEU 6 Cb -0.08 -1.29 -0.00 0.00 0.03 0.00 0.00 46.19 44.85 2kpo s LEU 6 CO 0.01 0.14 -0.24 -0.51 0.23 0.00 0.00 176.35 175.97 2kpo s ILE 7 N 0.37 2.04 -0.32 -0.59 2.07 -0.91 -0.64 121.20 123.22 2kpo s ILE 7 Ca -0.17 -1.03 0.02 0.00 -1.41 0.00 0.00 60.65 58.06 2kpo s ILE 7 Cb -0.17 -1.75 0.08 0.00 0.13 0.00 0.00 42.46 40.75 2kpo s ILE 7 CO 0.08 0.56 0.02 -0.63 -1.91 0.00 0.00 174.94 173.05 2kpo s ILE 8 N 0.15 2.50 0.22 2.00 1.01 0.98 -0.39 121.20 127.66 2kpo s ILE 8 Ca -0.13 -1.94 -0.22 0.00 0.00 0.00 0.00 60.65 58.36 2kpo s ILE 8 Cb -0.16 -2.65 0.04 0.00 0.01 0.00 0.00 42.46 39.70 2kpo s ILE 8 CO 0.07 -0.36 0.72 -0.55 0.00 0.00 0.00 174.94 174.82 2kpo s SER 9 N 1.15 -0.33 0.00 3.58 0.15 -1.26 -2.03 113.70 114.95 2kpo s SER 9 Ca 0.02 -0.40 0.09 0.00 0.70 0.00 0.00 55.95 56.36 2kpo s SER 9 Cb -0.20 0.65 -0.01 0.00 -1.71 0.00 0.00 66.02 64.75 2kpo s SER 9 CO -0.05 -1.17 0.58 0.59 1.20 0.00 0.00 173.24 174.38 2kpo n ASN 10 N -0.43 1.08 -4.42 5.45 4.13 -1.26 -4.94 115.26 114.87 2kpo n ASN 10 Ca -0.08 -1.04 -0.44 0.00 1.68 0.00 0.00 54.58 54.70 2kpo n ASN 10 Cb 0.61 0.52 -0.09 0.00 -1.54 0.00 0.00 39.78 39.28 2kpo n ASN 10 CO 0.00 0.00 0.00 -1.81 0.28 0.00 0.00 177.26 175.73 2kpo s ASP 11 N -1.33 6.14 0.52 6.41 1.01 -1.26 -4.93 116.67 123.22 2kpo s ASP 11 Ca 0.07 -1.12 0.21 0.00 0.71 0.00 0.00 52.55 52.43 2kpo s ASP 11 Cb 0.07 -2.18 1.37 0.00 1.01 0.00 0.00 42.92 43.19 2kpo s ASP 11 CO 0.24 -0.57 2.11 0.11 0.21 0.00 0.00 175.17 177.27 2kpo h LYS 12 N 8.71 0.00 -0.71 8.23 1.79 -1.98 0.47 116.57 133.08 2kpo h LYS 12 Ca -0.28 0.00 0.02 0.00 -2.18 0.00 0.00 60.65 58.21 2kpo h LYS 12 Cb 1.11 0.00 -0.04 0.00 -1.58 0.00 0.00 32.23 31.72 2kpo h LYS 12 CO 0.82 0.08 0.45 0.87 -1.08 0.00 0.00 179.45 180.59 2kpo h LYS 13 N 0.00 0.87 -0.09 3.15 1.79 -2.00 0.48 116.57 120.76 2kpo h LYS 13 Ca -0.00 -0.05 -0.16 0.00 -2.18 0.00 0.00 60.65 58.26 2kpo h LYS 13 Cb 0.17 -0.20 0.01 0.00 -1.58 0.00 0.00 32.23 30.63 2kpo h LYS 13 CO 0.01 0.58 -0.57 1.25 -1.08 0.00 0.00 179.45 179.64 2kpo h LEU 14 N 0.90 0.66 -0.21 2.94 6.46 -1.62 -3.25 115.31 121.20 2kpo h LEU 14 Ca 0.28 -0.66 -0.01 0.00 -0.12 0.00 0.00 57.88 57.37 2kpo h LEU 14 Cb -0.02 -0.20 -0.01 0.00 -0.73 0.00 0.00 40.66 39.70 2kpo h LEU 14 CO -0.09 1.21 0.08 0.40 -0.62 0.00 0.00 178.44 179.42 2kpo h ILE 15 N 0.16 1.17 0.15 4.05 2.04 -0.76 -2.75 117.51 121.57 2kpo h ILE 15 Ca -0.04 -0.52 0.01 0.00 1.00 0.00 0.00 64.86 65.31 2kpo h ILE 15 Cb 1.22 1.13 -0.02 0.00 -0.74 0.00 0.00 36.82 38.40 2kpo h ILE 15 CO 0.12 0.17 -0.19 -0.33 0.00 0.00 0.00 178.15 177.91 2kpo h GLU 16 N 0.18 -0.38 -0.61 2.37 4.39 -1.03 -2.00 114.58 117.49 2kpo h GLU 16 Ca 0.07 0.03 0.11 0.00 0.34 0.00 0.00 59.36 59.90 2kpo h GLU 16 Cb 0.19 0.09 -0.04 0.00 -0.10 0.00 0.00 28.75 28.89 2kpo h GLU 16 CO -0.00 -0.25 0.41 0.93 -1.16 0.00 0.00 179.01 178.93 2kpo h GLU 17 N -0.39 0.36 -0.49 2.33 4.39 -1.58 0.16 114.58 119.36 2kpo h GLU 17 Ca 0.01 -0.02 -0.06 0.00 0.34 0.00 0.00 59.36 59.64 2kpo h GLU 17 Cb 0.39 -0.08 -0.02 0.00 -0.10 0.00 0.00 28.75 28.94 2kpo h GLU 17 CO -0.08 0.24 0.08 0.00 -1.16 0.00 0.00 179.01 178.09 2kpo h ALA 18 N 1.70 0.65 -0.50 3.43 0.00 -1.13 -2.80 119.26 120.60 2kpo h ALA 18 Ca 0.29 -0.23 -0.10 0.00 0.00 0.00 0.00 54.91 54.87 2kpo h ALA 18 Cb 0.62 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.21 2kpo h ALA 18 CO -0.08 0.38 -0.06 0.00 0.00 0.00 0.00 179.25 179.49 2kpo h ARG 19 N 0.68 0.92 -0.01 0.00 3.08 -0.03 -1.24 114.38 117.79 2kpo h ARG 19 Ca 0.15 -0.33 0.03 0.00 0.07 0.00 0.00 59.98 59.91 2kpo h ARG 19 Cb 0.39 -0.07 -0.05 0.00 0.08 0.00 0.00 29.97 30.32 2kpo h ARG 19 CO 0.01 0.98 -0.35 0.87 -1.07 0.00 0.00 179.97 180.41 2kpo h LYS 20 N 0.78 -0.48 -0.82 0.04 6.56 -1.14 -1.46 116.57 120.05 2kpo h LYS 20 Ca 0.13 0.03 0.08 0.00 -1.06 0.00 0.00 60.65 59.83 2kpo h LYS 20 Cb 0.61 0.11 -0.07 0.00 -0.57 0.00 0.00 32.23 32.31 2kpo h LYS 20 CO 0.04 -0.32 0.49 0.52 -2.06 0.00 0.00 179.45 178.12 2kpo h MET 21 N -0.50 0.83 -0.35 3.15 2.86 -1.37 -1.95 114.93 117.60 2kpo h MET 21 Ca 0.06 -0.05 0.05 0.00 -2.06 0.00 0.00 59.70 57.70 2kpo h MET 21 Cb 0.59 -0.19 -0.04 0.00 0.06 0.00 0.00 31.60 32.01 2kpo h MET 21 CO -0.29 0.55 0.08 0.00 1.06 0.00 0.00 176.91 178.32 2kpo h ALA 22 N 1.42 0.38 -0.29 6.32 0.00 -0.73 0.41 119.26 126.78 2kpo h ALA 22 Ca 0.38 0.06 0.03 0.00 0.00 0.00 0.00 54.91 55.38 2kpo h ALA 22 Cb 0.27 0.07 -0.03 0.00 0.00 0.00 0.00 17.79 18.09 2kpo h ALA 22 CO -0.21 -0.32 0.10 0.93 0.00 0.00 0.00 179.25 179.76 2kpo h GLU 23 N 0.21 0.23 0.00 0.00 5.08 -0.69 0.26 114.58 119.67 2kpo h GLU 23 Ca 0.16 -0.01 -0.02 0.00 -1.00 0.00 0.00 59.36 58.49 2kpo h GLU 23 Cb 0.17 -0.05 -0.00 0.00 0.50 0.00 0.00 28.75 29.37 2kpo h GLU 23 CO -0.20 0.15 -0.09 0.87 -1.00 0.00 0.00 179.01 178.74 2kpo h LYS 24 N 0.24 0.00 -0.22 2.33 6.56 -0.92 -2.70 116.57 121.86 2kpo h LYS 24 Ca 0.13 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.72 2kpo h LYS 24 Cb 0.09 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 31.75 2kpo h LYS 24 CO -0.13 0.09 0.00 0.00 -2.06 0.00 0.00 179.45 177.35 2kpo n ALA 25 N -2.13 2.48 -2.66 3.86 0.00 0.14 -4.94 120.51 117.27 2kpo n ALA 25 Ca 0.02 -0.70 -0.17 0.00 0.00 0.00 0.00 53.44 52.59 2kpo n ALA 25 Cb 0.45 -0.99 0.02 0.00 0.00 0.00 0.00 19.45 18.92 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 0.82 -5.07 -4.49 0.00 4.05 -0.79 -4.93 115.26 104.84 2kpo n ASN 26 Ca 0.17 -0.15 -0.31 0.00 0.45 0.00 0.00 54.58 54.74 2kpo n ASN 26 Cb 0.45 -4.01 -0.12 0.00 1.23 0.00 0.00 39.78 37.33 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 -5.14 2.75 -0.28 1.20 1.43 0.84 -4.94 118.68 114.54 2kpo s LEU 27 Ca 0.15 -0.34 -0.16 0.00 -1.03 0.00 0.00 54.13 52.75 2kpo s LEU 27 Cb -0.07 -1.60 -0.03 0.00 0.03 0.00 0.00 46.19 44.53 2kpo s LEU 27 CO 0.19 0.27 0.45 -1.61 0.23 0.00 0.00 176.35 175.87 2kpo s GLU 28 N -1.36 3.94 -0.14 1.70 8.01 -1.24 -3.92 118.70 125.69 2kpo s GLU 28 Ca 0.15 0.08 -0.03 0.00 0.01 0.00 0.00 54.97 55.18 2kpo s GLU 28 Cb -0.11 -3.69 -0.03 0.00 -4.31 0.00 0.00 34.13 26.00 2kpo s GLU 28 CO 0.05 -0.38 -0.05 -1.17 0.01 0.00 0.00 175.26 173.72 2kpo s LEU 29 N 2.21 3.18 -0.02 1.80 0.20 -1.26 -0.90 118.68 123.89 2kpo s LEU 29 Ca 0.18 -0.13 0.05 0.00 0.69 0.00 0.00 54.13 54.91 2kpo s LEU 29 Cb -0.16 -1.75 -0.03 0.00 -0.43 0.00 0.00 46.19 43.83 2kpo s LEU 29 CO 0.10 0.20 -0.16 -0.13 -0.29 0.00 0.00 176.35 176.08 2kpo s ARG 30 N 0.16 2.34 -0.38 1.98 1.81 0.14 -4.97 118.95 120.03 2kpo s ARG 30 Ca -0.02 -0.81 -0.22 0.00 -1.72 0.00 0.00 55.73 52.96 2kpo s ARG 30 Cb -0.14 -2.30 0.01 0.00 -0.45 0.00 0.00 34.95 32.07 2kpo s ARG 30 CO 0.03 0.59 0.73 0.95 -0.68 0.00 0.00 175.30 176.92 2kpo s THR 31 N -0.80 4.78 -0.17 0.02 -4.23 -1.26 -2.14 115.64 111.85 2kpo s THR 31 Ca 0.13 0.69 -0.26 0.00 -1.18 0.00 0.00 61.69 61.06 2kpo s THR 31 Cb -0.11 -4.18 -0.01 0.00 1.34 0.00 0.00 72.50 69.54 2kpo s THR 31 CO 0.02 -0.44 0.87 -0.69 -0.54 0.00 0.00 174.62 173.85 2kpo s VAL 32 N 2.98 4.85 -0.15 2.29 1.01 0.47 -4.93 120.40 126.93 2kpo s VAL 32 Ca 0.28 1.72 0.09 0.00 0.00 0.00 0.00 61.98 64.07 2kpo s VAL 32 Cb -0.13 -4.17 -0.15 0.00 0.00 0.00 0.00 36.38 31.92 2kpo s VAL 32 CO 0.17 0.01 -0.01 0.29 0.00 0.00 0.00 175.10 175.55 2kpo n LYS 33 N 5.30 1.37 -4.19 2.72 5.02 -1.26 -4.42 118.16 122.69 2kpo n LYS 33 Ca 0.06 0.03 -0.12 0.00 -2.02 0.00 0.00 58.31 56.25 2kpo n LYS 33 Cb 0.48 -1.35 -0.10 0.00 -0.02 0.00 0.00 35.03 34.05 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 -2.34 0.00 0.53 -0.18 -4.23 -1.26 -5.00 115.64 103.16 2kpo s THR 34 Ca -0.12 -1.96 0.18 0.00 -1.18 0.00 0.00 61.69 58.61 2kpo s THR 34 Cb 0.05 -2.48 0.29 0.00 1.34 0.00 0.00 72.50 71.69 2kpo s THR 34 CO 0.51 0.00 2.14 -0.08 -0.54 0.00 0.00 174.62 176.66 2kpo h GLU 35 N 2.56 0.00 0.02 3.99 4.57 -2.01 -2.19 114.58 121.51 2kpo h GLU 35 Ca -0.34 0.00 -0.00 0.00 -1.18 0.00 0.00 59.36 57.83 2kpo h GLU 35 Cb 1.25 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.84 2kpo h GLU 35 CO 0.51 0.00 -0.01 0.22 -1.18 0.00 0.00 179.01 178.55 2kpo h ASP 36 N 0.00 -0.02 -0.28 1.04 1.82 -2.00 -3.19 116.42 113.79 2kpo h ASP 36 Ca 0.02 -0.39 0.06 0.00 -0.39 0.00 0.00 57.03 56.33 2kpo h ASP 36 Cb 0.10 0.01 -0.05 0.00 0.68 0.00 0.00 39.33 40.06 2kpo h ASP 36 CO -0.00 0.39 -0.08 -0.33 -1.61 0.00 0.00 179.24 177.61 2kpo h GLU 37 N -0.43 -0.01 -0.13 0.28 4.39 -1.80 0.75 114.58 117.64 2kpo h GLU 37 Ca -0.00 0.00 0.05 0.00 0.34 0.00 0.00 59.36 59.75 2kpo h GLU 37 Cb 0.41 0.00 -0.06 0.00 -0.10 0.00 0.00 28.75 29.01 2kpo h GLU 37 CO 0.00 -0.01 -0.26 1.25 -1.16 0.00 0.00 179.01 178.84 2kpo h LEU 38 N -0.01 -0.79 -0.10 1.33 7.12 -1.56 0.97 115.31 122.26 2kpo h LEU 38 Ca 0.13 0.13 0.02 0.00 0.13 0.00 0.00 57.88 58.29 2kpo h LEU 38 Cb 0.21 0.35 -0.02 0.00 -0.53 0.00 0.00 40.66 40.67 2kpo h LEU 38 CO -0.29 -0.31 -0.02 0.50 -0.13 0.00 0.00 178.44 178.19 2kpo h LYS 39 N -0.32 0.01 -0.95 1.25 3.64 -1.47 -2.28 116.57 116.44 2kpo h LYS 39 Ca 0.10 -0.00 0.02 0.00 -1.27 0.00 0.00 60.65 59.50 2kpo h LYS 39 Cb 0.48 -0.00 -0.05 0.00 -0.41 0.00 0.00 32.23 32.24 2kpo h LYS 39 CO -0.32 0.00 0.62 -0.22 -2.27 0.00 0.00 179.45 177.27 2kpo h LYS 40 N 0.01 1.21 -0.43 1.90 3.64 -0.33 0.05 116.57 122.62 2kpo h LYS 40 Ca 0.05 -0.07 -0.09 0.00 -1.27 0.00 0.00 60.65 59.26 2kpo h LYS 40 Cb 0.07 -0.27 -0.01 0.00 -0.41 0.00 0.00 32.23 31.61 2kpo h LYS 40 CO -0.10 0.80 -0.10 1.88 -2.27 0.00 0.00 179.45 179.66 2kpo h TYR 41 N 1.25 0.93 -0.55 1.91 0.05 -0.71 -2.68 116.97 117.17 2kpo h TYR 41 Ca 0.36 -0.20 -0.02 0.00 0.05 0.00 0.00 58.73 58.92 2kpo h TYR 41 Cb -0.09 -0.23 -0.03 0.00 1.01 0.00 0.00 36.73 37.39 2kpo h TYR 41 CO -0.00 0.93 0.26 -0.07 -1.05 0.00 0.00 178.16 178.24 2kpo h LEU 42 N 0.65 0.70 -0.92 3.88 3.38 -0.74 -1.76 115.31 120.50 2kpo h LEU 42 Ca 0.11 -0.07 -0.03 0.00 0.09 0.00 0.00 57.88 57.99 2kpo h LEU 42 Cb 0.63 -0.18 -0.04 0.00 0.09 0.00 0.00 40.66 41.16 2kpo h LEU 42 CO 0.04 0.60 0.43 -0.33 0.09 0.00 0.00 178.44 179.27 2kpo h GLU 43 N 0.78 1.20 -0.56 1.13 5.08 -0.86 -0.11 114.58 121.24 2kpo h GLU 43 Ca 0.19 -0.16 0.03 0.00 -1.00 0.00 0.00 59.36 58.43 2kpo h GLU 43 Cb 0.08 -0.22 -0.04 0.00 0.50 0.00 0.00 28.75 29.07 2kpo h GLU 43 CO -0.03 0.90 0.33 1.49 -1.00 0.00 0.00 179.01 180.70 2kpo h GLU 44 N 1.20 0.62 0.00 2.33 4.57 -1.06 -2.61 114.58 119.63 2kpo h GLU 44 Ca 0.29 -0.04 -0.03 0.00 -1.18 0.00 0.00 59.36 58.41 2kpo h GLU 44 Cb 0.08 -0.14 -0.00 0.00 -0.16 0.00 0.00 28.75 28.53 2kpo h GLU 44 CO -0.04 0.41 -0.13 0.74 -1.18 0.00 0.00 179.01 178.81 2kpo h PHE 45 N 0.64 0.00 -0.42 0.92 0.05 -0.49 -2.58 116.94 115.05 2kpo h PHE 45 Ca 0.23 0.00 0.07 0.00 3.82 0.00 0.00 57.97 62.09 2kpo h PHE 45 Cb 0.06 0.00 -0.02 0.00 2.00 0.00 0.00 35.95 37.99 2kpo h PHE 45 CO -0.07 0.13 0.29 0.00 -0.18 0.00 0.00 178.31 178.48 2kpo h ARG 46 N 0.00 0.28 -0.98 1.51 2.47 -0.64 -0.07 114.38 116.95 2kpo h ARG 46 Ca -0.00 -0.02 0.06 0.00 -1.26 0.00 0.00 59.98 58.76 2kpo h ARG 46 Cb 0.50 -0.06 -0.06 0.00 -1.65 0.00 0.00 29.97 28.69 2kpo h ARG 46 CO 0.02 0.19 0.63 0.87 0.56 0.00 0.00 179.97 182.24 2kpo h LYS 47 N 0.29 1.14 -0.66 0.04 1.57 -1.55 -2.33 116.57 115.07 2kpo h LYS 47 Ca 0.19 -0.07 -0.19 0.00 -1.87 0.00 0.00 60.65 58.71 2kpo h LYS 47 Cb 0.37 -0.26 -0.12 0.00 0.08 0.00 0.00 32.23 32.31 2kpo h LYS 47 CO -0.04 0.75 0.22 0.39 -0.57 0.00 0.00 179.45 180.20 2kpo n GLU 48 N -4.50 3.45 -0.14 3.15 -0.58 -0.15 -4.72 120.64 117.16 2kpo n GLU 48 Ca 0.15 -3.08 0.00 0.00 -0.42 0.00 0.00 57.16 53.81 2kpo n GLU 48 Cb 0.16 -2.14 0.00 0.00 -0.57 0.00 0.00 31.44 28.89 2kpo n GLU 48 CO 0.00 0.00 0.00 0.45 -0.48 0.00 0.00 177.13 177.10 2kpo n SER 49 N -0.30 2.65 -0.12 1.62 2.88 -0.58 -3.30 113.62 116.47 2kpo n SER 49 Ca 0.38 -1.58 -0.20 0.00 -1.33 0.00 0.00 58.87 56.13 2kpo n SER 49 Cb 1.31 -0.51 -0.07 0.00 -0.75 0.00 0.00 64.21 64.19 2kpo n SER 49 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2kpo n GLN 50 N 1.07 0.55 -2.88 -1.46 1.13 -1.26 -4.82 117.38 109.71 2kpo n GLN 50 Ca 0.00 0.23 -0.19 0.00 -1.94 0.00 0.00 57.00 55.10 2kpo n GLN 50 Cb 0.34 -1.44 -0.01 0.00 0.11 0.00 0.00 30.24 29.23 2kpo n GLN 50 CO 0.00 0.00 0.00 0.09 -1.44 0.00 0.00 177.06 175.71 2kpo n ASN 51 N -4.32 2.38 -4.28 1.08 3.02 -1.21 -5.10 115.26 106.84 2kpo n ASN 51 Ca -0.36 -3.18 -0.26 0.00 -0.03 0.00 0.00 54.58 50.74 2kpo n ASN 51 Cb 0.72 -0.56 -0.14 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 -3.54 1.78 -0.02 2.41 2.07 -1.24 0.06 121.20 122.72 2kpo s ILE 52 Ca 0.40 -1.31 0.01 0.00 -1.41 0.00 0.00 60.65 58.34 2kpo s ILE 52 Cb 0.37 -1.56 0.02 0.00 0.13 0.00 0.00 42.46 41.42 2kpo s ILE 52 CO -0.08 0.19 -0.02 -0.54 -1.91 0.00 0.00 174.94 172.58 2kpo s LYS 53 N -1.33 0.42 -0.10 3.50 1.02 0.19 -4.75 119.74 118.69 2kpo s LYS 53 Ca 0.08 -0.04 0.03 0.00 0.02 0.00 0.00 55.97 56.06 2kpo s LYS 53 Cb -0.09 -0.49 -0.01 0.00 -0.52 0.00 0.00 37.83 36.72 2kpo s LYS 53 CO 0.02 -0.04 -0.20 0.08 -0.92 0.00 0.00 175.35 174.29 2kpo s VAL 54 N 0.58 2.46 -0.33 3.17 1.01 -1.13 -1.47 120.40 124.68 2kpo s VAL 54 Ca -0.06 -0.89 -0.14 0.00 0.00 0.00 0.00 61.98 60.89 2kpo s VAL 54 Cb -0.09 -1.97 -0.02 0.00 0.00 0.00 0.00 36.38 34.30 2kpo s VAL 54 CO -0.01 0.55 0.29 -0.22 0.00 0.00 0.00 175.10 175.71 2kpo s LEU 55 N 0.21 4.44 -0.21 3.92 2.96 0.33 -0.58 118.68 129.75 2kpo s LEU 55 Ca -0.12 -0.30 -0.06 0.00 -0.22 0.00 0.00 54.13 53.42 2kpo s LEU 55 Cb -0.16 -2.22 -0.03 0.00 0.50 0.00 0.00 46.19 44.28 2kpo s LEU 55 CO 0.07 -0.26 0.03 -0.63 -1.32 0.00 0.00 176.35 174.24 2kpo s ILE 56 N 1.85 4.26 -0.11 6.68 1.01 0.60 -0.23 121.20 135.26 2kpo s ILE 56 Ca 0.09 -0.21 -0.01 0.00 0.00 0.00 0.00 60.65 60.52 2kpo s ILE 56 Cb -0.17 -2.94 -0.03 0.00 0.01 0.00 0.00 42.46 39.33 2kpo s ILE 56 CO 0.11 0.41 -0.06 -0.76 0.00 0.00 0.00 174.94 174.64 2kpo s LEU 57 N 1.01 3.18 0.02 2.97 2.01 0.19 -0.51 118.68 127.55 2kpo s LEU 57 Ca 0.03 -0.08 0.04 0.00 0.01 0.00 0.00 54.13 54.12 2kpo s LEU 57 Cb -0.14 -1.73 -0.02 0.00 0.01 0.00 0.00 46.19 44.31 2kpo s LEU 57 CO 0.02 0.27 -0.11 0.68 1.01 0.00 0.00 176.35 178.22 2kpo s VAL 58 N -0.24 0.87 0.01 -1.59 -7.23 -0.05 -0.01 120.40 112.15 2kpo s VAL 58 Ca 0.04 -0.81 -0.21 0.00 -1.81 0.00 0.00 61.98 59.19 2kpo s VAL 58 Cb -0.13 -0.80 -0.19 0.00 0.56 0.00 0.00 36.38 35.83 2kpo s VAL 58 CO 0.02 -0.00 1.19 0.28 -0.31 0.00 0.00 175.10 176.28 2kpo h SER 59 N 5.18 0.41 -2.22 4.85 0.02 -1.55 0.25 113.55 120.48 2kpo h SER 59 Ca -0.35 -0.64 -0.52 0.00 -0.84 0.00 0.00 61.79 59.43 2kpo h SER 59 Cb 1.18 -0.12 -0.06 0.00 0.14 0.00 0.00 62.40 63.54 2kpo h SER 59 CO 0.45 0.98 -0.57 0.20 -1.14 0.00 0.00 176.83 176.76 2kpo s ASN 60 N -6.39 5.20 0.37 3.07 0.01 -1.26 -4.59 114.94 111.35 2kpo s ASN 60 Ca -0.14 -0.38 0.16 0.00 -0.71 0.00 0.00 52.86 51.79 2kpo s ASN 60 Cb 0.04 -1.22 0.74 0.00 0.41 0.00 0.00 41.25 41.21 2kpo s ASN 60 CO 0.78 -0.02 1.80 -2.24 -1.51 0.00 0.00 177.10 175.90 2kpo h ASP 61 N 1.66 0.00 -0.13 -1.22 2.03 -2.00 -2.49 116.42 114.26 2kpo h ASP 61 Ca -0.47 0.00 -0.02 0.00 -0.73 0.00 0.00 57.03 55.81 2kpo h ASP 61 Cb 1.24 0.00 -0.00 0.00 -0.83 0.00 0.00 39.33 39.74 2kpo h ASP 61 CO 0.61 0.38 -0.01 -0.08 -1.03 0.00 0.00 179.24 179.11 2kpo h GLU 62 N 0.00 0.24 -0.77 4.15 4.81 -2.00 -2.64 114.58 118.37 2kpo h GLU 62 Ca -0.00 -0.08 0.04 0.00 -0.13 0.00 0.00 59.36 59.19 2kpo h GLU 62 Cb 0.76 -0.02 -0.04 0.00 0.63 0.00 0.00 28.75 30.07 2kpo h GLU 62 CO 0.05 0.49 0.50 0.93 -0.73 0.00 0.00 179.01 180.25 2kpo h GLU 63 N -0.04 0.87 -0.25 1.92 4.39 -1.95 -1.11 114.58 118.42 2kpo h GLU 63 Ca 0.04 -0.05 0.06 0.00 0.34 0.00 0.00 59.36 59.75 2kpo h GLU 63 Cb 0.39 -0.20 -0.07 0.00 -0.10 0.00 0.00 28.75 28.77 2kpo h GLU 63 CO 0.01 0.58 -0.22 1.25 -1.16 0.00 0.00 179.01 179.47 2kpo h LEU 64 N 0.90 -0.71 -0.13 1.33 5.85 -1.25 0.66 115.31 121.96 2kpo h LEU 64 Ca 0.31 0.13 -0.02 0.00 0.84 0.00 0.00 57.88 59.15 2kpo h LEU 64 Cb 0.11 0.34 -0.01 0.00 0.37 0.00 0.00 40.66 41.47 2kpo h LEU 64 CO -0.10 -0.26 0.02 -0.78 -0.34 0.00 0.00 178.44 176.99 2kpo h ASP 65 N -0.22 0.21 -0.55 1.25 1.82 -1.05 -2.78 116.42 115.11 2kpo h ASP 65 Ca 0.14 -0.26 0.05 0.00 -0.39 0.00 0.00 57.03 56.57 2kpo h ASP 65 Cb 0.43 -0.06 -0.05 0.00 0.68 0.00 0.00 39.33 40.34 2kpo h ASP 65 CO -0.38 0.42 0.27 0.11 -1.61 0.00 0.00 179.24 178.06 2kpo h LYS 66 N -0.01 0.50 -0.01 0.28 1.79 -0.96 0.93 116.57 119.09 2kpo h LYS 66 Ca 0.04 -0.03 0.00 0.00 -2.18 0.00 0.00 60.65 58.48 2kpo h LYS 66 Cb 0.30 -0.11 -0.00 0.00 -1.58 0.00 0.00 32.23 30.84 2kpo h LYS 66 CO 0.00 0.33 -0.00 0.00 -1.08 0.00 0.00 179.45 178.70 2kpo h ALA 67 N 1.30 0.00 0.00 3.86 0.00 -0.87 -2.53 119.26 121.03 2kpo h ALA 67 Ca 0.25 0.00 -0.06 0.00 0.00 0.00 0.00 54.91 55.10 2kpo h ALA 67 Cb 0.17 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 17.97 2kpo h ALA 67 CO -0.18 -0.50 -0.27 1.57 0.00 0.00 0.00 179.25 179.87 2kpo h LYS 68 N -0.00 0.00 0.18 0.00 2.10 -1.20 -2.64 116.57 115.01 2kpo h LYS 68 Ca 0.01 0.00 0.01 0.00 -2.00 0.00 0.00 60.65 58.66 2kpo h LYS 68 Cb 0.01 0.00 -0.02 0.00 -0.90 0.00 0.00 32.23 31.32 2kpo h LYS 68 CO -0.01 0.27 -0.21 0.93 -2.00 0.00 0.00 179.45 178.42 2kpo h GLU 69 N 0.00 -0.42 -0.68 0.07 5.08 -0.41 -0.48 114.58 117.74 2kpo h GLU 69 Ca -0.00 0.03 -0.02 0.00 -1.00 0.00 0.00 59.36 58.36 2kpo h GLU 69 Cb 0.69 0.10 -0.03 0.00 0.50 0.00 0.00 28.75 30.00 2kpo h GLU 69 CO 0.03 -0.28 0.33 -0.07 -1.00 0.00 0.00 179.01 178.03 2kpo h LEU 70 N -0.43 0.89 -0.69 1.33 3.38 -1.31 -0.82 115.31 117.65 2kpo h LEU 70 Ca 0.01 -0.13 -0.02 0.00 0.09 0.00 0.00 57.88 57.83 2kpo h LEU 70 Cb 0.42 -0.23 -0.03 0.00 0.09 0.00 0.00 40.66 40.91 2kpo h LEU 70 CO -0.07 0.77 0.36 0.00 0.09 0.00 0.00 178.44 179.59 2kpo h ALA 71 N 1.16 0.89 -0.18 1.53 0.00 -1.38 -2.26 119.26 119.01 2kpo h ALA 71 Ca 0.23 -0.12 -0.08 0.00 0.00 0.00 0.00 54.91 54.94 2kpo h ALA 71 Cb 0.11 -0.28 -0.00 0.00 0.00 0.00 0.00 17.79 17.63 2kpo h ALA 71 CO -0.03 0.42 -0.21 1.96 0.00 0.00 0.00 179.25 181.39 2kpo h GLN 72 N 0.96 0.47 0.00 0.00 4.20 -0.85 0.54 115.11 120.43 2kpo h GLN 72 Ca 0.24 -0.26 -0.02 0.00 0.06 0.00 0.00 58.65 58.68 2kpo h GLN 72 Cb 0.07 0.01 -0.00 0.00 0.30 0.00 0.00 27.48 27.86 2kpo h GLN 72 CO -0.04 0.84 -0.07 0.87 -0.67 0.00 0.00 178.83 179.76 2kpo h LYS 73 N 0.12 0.00 -0.35 1.46 1.57 -1.11 -1.66 116.57 116.60 2kpo h LYS 73 Ca 0.03 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.81 2kpo h LYS 73 Cb 0.77 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.08 2kpo h LYS 73 CO 0.05 0.07 0.00 -1.33 -0.57 0.00 0.00 179.45 177.67 2kpo n MET 74 N -3.31 2.41 -3.25 3.15 2.81 -0.86 -5.04 117.12 113.03 2kpo n MET 74 Ca -0.01 -2.02 -0.12 0.00 -1.81 0.00 0.00 57.70 53.73 2kpo n MET 74 Cb 0.26 -1.34 0.01 0.00 -0.71 0.00 0.00 33.22 31.44 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 0.83 -1.68 -4.56 0.03 1.02 -0.02 -5.03 120.64 111.23 2kpo n GLU 75 Ca 0.14 1.44 -0.22 0.00 -0.02 0.00 0.00 57.16 58.50 2kpo n GLU 75 Cb 0.45 -4.45 -0.15 0.00 -0.02 0.00 0.00 31.44 27.27 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 -2.73 1.01 -0.65 -3.67 1.01 -0.03 -5.02 121.20 111.13 2kpo s ILE 76 Ca 0.10 -0.52 -0.27 0.00 0.00 0.00 0.00 60.65 59.96 2kpo s ILE 76 Cb -0.02 -0.87 0.02 0.00 0.01 0.00 0.00 42.46 41.60 2kpo s ILE 76 CO 0.81 0.30 1.38 -0.62 0.00 0.00 0.00 174.94 176.80 2kpo s ASP 77 N -0.07 6.08 0.16 3.58 2.15 -1.26 -4.73 116.67 122.58 2kpo s ASP 77 Ca 0.01 -0.05 0.01 0.00 0.43 0.00 0.00 52.55 52.95 2kpo s ASP 77 Cb -0.07 -2.55 -0.04 0.00 -0.30 0.00 0.00 42.92 39.95 2kpo s ASP 77 CO 0.00 -1.81 0.01 0.68 -0.17 0.00 0.00 175.17 173.88 2kpo s VAL 78 N 6.13 0.53 -0.35 1.11 -7.23 -1.26 -2.84 120.40 116.48 2kpo s VAL 78 Ca 0.45 -1.96 -0.05 0.00 -1.81 0.00 0.00 61.98 58.62 2kpo s VAL 78 Cb -0.09 -2.08 0.06 0.00 0.56 0.00 0.00 36.38 34.82 2kpo s VAL 78 CO 0.20 -0.49 0.11 -0.13 -0.31 0.00 0.00 175.10 174.49 2kpo s ARG 79 N -3.95 2.45 -0.63 4.82 0.52 0.26 -4.95 118.95 117.46 2kpo s ARG 79 Ca 0.23 -1.36 -0.20 0.00 -0.52 0.00 0.00 55.73 53.89 2kpo s ARG 79 Cb 0.06 -3.44 0.10 0.00 0.52 0.00 0.00 34.95 32.19 2kpo s ARG 79 CO 0.03 -0.77 0.80 0.99 0.02 0.00 0.00 175.30 176.37 2kpo s THR 80 N 1.31 4.71 0.07 0.02 2.01 -1.26 -0.29 115.64 122.21 2kpo s THR 80 Ca -0.00 -0.90 0.07 0.00 0.31 0.00 0.00 61.69 61.17 2kpo s THR 80 Cb -0.21 -4.56 -0.04 0.00 0.01 0.00 0.00 72.50 67.71 2kpo s THR 80 CO 0.00 -1.23 -0.16 -0.13 -0.69 0.00 0.00 174.62 172.41 2kpo s ARG 81 N 2.98 2.02 -0.14 4.92 1.81 0.33 -5.01 118.95 125.85 2kpo s ARG 81 Ca 0.16 -1.04 -0.06 0.00 -1.72 0.00 0.00 55.73 53.07 2kpo s ARG 81 Cb -0.21 -2.20 -0.04 0.00 -0.45 0.00 0.00 34.95 32.05 2kpo s ARG 81 CO 0.06 0.52 0.07 0.21 -0.68 0.00 0.00 175.30 175.47 2kpo s LYS 82 N -1.79 3.57 -0.03 3.54 2.20 -1.26 -0.87 119.74 125.09 2kpo s LYS 82 Ca 0.17 -0.30 0.03 0.00 -0.36 0.00 0.00 55.97 55.50 2kpo s LYS 82 Cb -0.11 -3.09 0.00 0.00 -1.51 0.00 0.00 37.83 33.12 2kpo s LYS 82 CO 0.08 0.53 -0.10 0.14 -0.36 0.00 0.00 175.35 175.64 2kpo s VAL 83 N -0.35 0.84 -0.69 4.02 -7.23 0.86 -4.88 120.40 112.98 2kpo s VAL 83 Ca 0.09 -0.38 0.07 0.00 -1.81 0.00 0.00 61.98 59.95 2kpo s VAL 83 Cb -0.12 -0.75 0.18 0.00 0.56 0.00 0.00 36.38 36.25 2kpo s VAL 83 CO 0.02 0.26 1.09 0.35 -0.31 0.00 0.00 175.10 176.51 2kpo n THR 84 N 3.35 0.81 -3.80 5.32 -2.24 -1.26 -4.06 114.28 112.39 2kpo n THR 84 Ca -0.19 -0.90 -0.13 0.00 -2.27 0.00 0.00 64.05 60.56 2kpo n THR 84 Cb 0.54 0.63 -0.11 0.00 -2.10 0.00 0.00 70.33 69.29 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 -0.93 -0.20 0.30 3.42 0.01 -1.26 -5.05 113.70 109.99 2kpo s SER 85 Ca 0.14 0.33 0.01 0.00 1.31 0.00 0.00 55.95 57.75 2kpo s SER 85 Cb 0.08 0.43 0.54 0.00 0.21 0.00 0.00 66.02 67.28 2kpo s SER 85 CO 0.10 -0.18 1.89 1.55 0.41 0.00 0.00 173.24 177.02 2kpo h PRO 86 N 5.29 0.98 -0.36 12.44 0.13 -1.92 -1.79 132.00 146.78 2kpo h PRO 86 Ca -0.27 -0.06 -0.03 0.00 -0.87 0.00 0.00 66.00 64.77 2kpo h PRO 86 Cb 1.19 -0.22 -0.02 0.00 0.13 0.00 0.00 31.00 32.08 2kpo h PRO 86 CO 0.37 0.65 0.09 -0.44 -0.23 0.00 0.00 178.00 178.44 2kpo h ASP 87 N 1.01 0.48 0.11 1.44 3.32 -1.96 -1.24 116.42 119.58 2kpo h ASP 87 Ca 0.41 -0.06 -0.01 0.00 0.02 0.00 0.00 57.03 57.40 2kpo h ASP 87 Cb 0.28 -0.12 0.00 0.00 0.22 0.00 0.00 39.33 39.70 2kpo h ASP 87 CO -0.17 0.49 -0.05 -0.33 -1.72 0.00 0.00 179.24 177.46 2kpo h GLU 88 N 0.52 -0.14 -0.61 3.56 4.39 -1.75 -0.43 114.58 120.13 2kpo h GLU 88 Ca 0.12 0.01 0.07 0.00 0.34 0.00 0.00 59.36 59.90 2kpo h GLU 88 Cb 0.20 0.03 -0.06 0.00 -0.10 0.00 0.00 28.75 28.82 2kpo h GLU 88 CO -0.00 0.04 0.29 0.00 -1.16 0.00 0.00 179.01 178.18 2kpo h ALA 89 N 0.57 0.80 -0.98 3.43 0.00 -1.29 0.87 119.26 122.68 2kpo h ALA 89 Ca -0.01 0.04 0.06 0.00 0.00 0.00 0.00 54.91 55.00 2kpo h ALA 89 Cb 0.25 -0.05 -0.06 0.00 0.00 0.00 0.00 17.79 17.93 2kpo h ALA 89 CO 0.02 -0.08 0.64 0.87 0.00 0.00 0.00 179.25 180.70 2kpo h LYS 90 N 0.54 1.13 -0.27 0.00 1.57 -1.11 -1.34 116.57 117.09 2kpo h LYS 90 Ca 0.29 -0.07 -0.14 0.00 -1.87 0.00 0.00 60.65 58.86 2kpo h LYS 90 Cb 0.25 -0.25 -0.00 0.00 0.08 0.00 0.00 32.23 32.31 2kpo h LYS 90 CO -0.22 0.75 -0.37 -0.09 -0.57 0.00 0.00 179.45 178.94 2kpo h ARG 91 N 1.16 0.73 -0.11 3.15 2.43 0.26 -2.36 114.38 119.64 2kpo h ARG 91 Ca 0.42 -0.42 -0.01 0.00 -0.81 0.00 0.00 59.98 59.15 2kpo h ARG 91 Cb 0.14 0.03 -0.00 0.00 -0.42 0.00 0.00 29.97 29.72 2kpo h ARG 91 CO -0.16 1.05 0.03 -1.49 -1.51 0.00 0.00 179.97 177.89 2kpo h TRP 92 N 0.47 0.19 -0.70 2.20 4.06 -0.63 -1.42 115.95 120.14 2kpo h TRP 92 Ca 0.03 -0.02 0.09 0.00 2.06 0.00 0.00 58.89 61.04 2kpo h TRP 92 Cb 0.96 -0.05 -0.04 0.00 -1.00 0.00 0.00 29.16 29.02 2kpo h TRP 92 CO 0.08 0.35 0.46 0.82 -3.56 0.00 0.00 178.44 176.59 2kpo h ILE 93 N -0.02 0.95 0.72 1.49 2.04 -1.31 0.27 117.51 121.64 2kpo h ILE 93 Ca 0.04 -0.21 -0.04 0.00 1.00 0.00 0.00 64.86 65.65 2kpo h ILE 93 Cb 0.26 0.28 0.01 0.00 -0.74 0.00 0.00 36.82 36.63 2kpo h ILE 93 CO 0.00 0.11 -0.34 0.50 0.00 0.00 0.00 178.15 178.42 2kpo h LYS 94 N 0.62 -0.93 -0.17 2.37 3.64 -1.08 -2.13 116.57 118.90 2kpo h LYS 94 Ca 0.31 0.06 -0.11 0.00 -1.27 0.00 0.00 60.65 59.65 2kpo h LYS 94 Cb 0.42 0.21 -0.01 0.00 -0.41 0.00 0.00 32.23 32.44 2kpo h LYS 94 CO -0.11 -0.60 -0.36 1.05 -2.27 0.00 0.00 179.45 177.16 2kpo h GLU 95 N -1.02 0.35 -0.62 1.90 -0.00 -0.78 -1.27 114.58 113.14 2kpo h GLU 95 Ca -0.10 -0.15 -0.03 0.00 -0.00 0.00 0.00 59.36 59.08 2kpo h GLU 95 Cb 0.75 -0.01 -0.03 0.00 -0.00 0.00 0.00 28.75 29.47 2kpo h GLU 95 CO 0.16 0.67 0.27 0.35 -0.00 0.00 0.00 179.01 180.46 2kpo h PHE 96 N 0.30 0.92 -0.32 2.06 3.04 -1.02 -2.49 116.94 119.44 2kpo h PHE 96 Ca 0.03 -0.06 -0.07 0.00 3.98 0.00 0.00 57.97 61.86 2kpo h PHE 96 Cb 0.78 -0.28 -0.02 0.00 2.56 0.00 0.00 35.95 38.99 2kpo h PHE 96 CO 0.02 0.72 -0.08 1.03 -2.02 0.00 0.00 178.31 177.97 2kpo h SER 97 N 0.86 0.50 0.23 0.41 0.87 -0.88 -2.41 113.55 113.12 2kpo h SER 97 Ca 0.21 -0.12 0.00 0.00 -1.23 0.00 0.00 61.79 60.65 2kpo h SER 97 Cb 0.17 -0.13 0.00 0.00 -0.44 0.00 0.00 62.40 62.00 2kpo h SER 97 CO -0.02 0.63 0.00 -0.62 -0.53 0.00 0.00 176.83 176.29 2kpo n GLU 98 N -4.23 0.06 -0.09 2.24 1.02 -0.53 -1.54 120.64 117.58 2kpo n GLU 98 Ca 0.01 0.29 -0.11 0.00 -0.02 0.00 0.00 57.16 57.33 2kpo n GLU 98 Cb 0.30 -1.50 -0.04 0.00 -0.02 0.00 0.00 31.44 30.18 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 0.00 0.45 -0.75 3.49 5.08 -1.32 -3.47 114.58 118.05 2kpo h GLU 99 Ca 0.00 -0.13 -0.32 0.00 -1.00 0.00 0.00 59.36 57.91 2kpo h GLU 99 Cb 0.11 -0.05 -0.13 0.00 0.50 0.00 0.00 28.75 29.19 2kpo h GLU 99 CO 0.00 0.58 -0.29 0.41 -1.00 0.00 0.00 179.01 178.70 2kpo n GLY 100 N -0.43 1.58 1.17 -3.84 0.00 -0.59 -3.83 105.19 99.24 2kpo n GLY 100 Ca -0.03 -0.17 0.00 0.00 0.00 0.00 0.00 46.02 45.82 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 -0.72 -0.24 3.56 -0.02 0.00 -1.26 -4.65 105.19 101.86 2kpo n GLY 101 Ca -0.16 -0.27 -0.36 0.00 0.00 0.00 0.00 46.02 45.23 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 -1.30 5.93 0.00 1.61 0.01 -1.25 -4.74 113.70 113.96 2kpo s SER 102 Ca 0.00 -0.97 0.28 0.00 1.31 0.00 0.00 55.95 56.57 2kpo s SER 102 Cb 0.00 -2.56 1.14 0.00 0.21 0.00 0.00 66.02 64.81 2kpo s SER 102 CO 0.00 -2.01 1.82 0.18 0.41 0.00 0.00 173.24 173.63 2kpo n LEU 103 N 10.89 0.38 -4.49 2.44 4.77 -1.26 -4.76 117.00 124.97 2kpo n LEU 103 Ca 0.32 0.10 -0.43 0.00 -0.03 0.00 0.00 56.01 55.96 2kpo n LEU 103 Cb 0.50 -0.25 -0.05 0.00 -2.33 0.00 0.00 43.42 41.28 2kpo n LEU 103 CO 0.65 0.07 0.53 -1.61 -1.33 0.00 0.00 177.39 175.70 2kpo s GLU 104 N -2.64 3.24 0.31 3.23 8.01 -1.26 -5.02 118.70 124.57 2kpo s GLU 104 Ca 0.24 -0.54 0.04 0.00 0.01 0.00 0.00 54.97 54.71 2kpo s GLU 104 Cb 0.20 -4.06 -0.01 0.00 -4.31 0.00 0.00 34.13 25.94 2kpo s GLU 104 CO 0.51 -1.31 0.13 0.72 0.01 0.00 0.00 175.26 175.32 2kpo n HIS 105 N 6.76 -0.01 -3.43 1.61 8.25 -1.26 -5.14 115.22 121.99 2kpo n HIS 105 Ca -0.02 -2.07 -0.38 0.00 -0.26 0.00 0.00 57.72 54.99 2kpo n HIS 105 Cb 0.47 0.03 -0.06 0.00 1.12 0.00 0.00 29.99 31.55 2kpo n HIS 105 CO 0.00 0.00 0.00 -1.01 0.64 0.00 0.00 176.34 175.97 2kpo s HIS 106 N -2.79 3.63 -0.49 4.41 3.76 -1.26 -5.00 115.29 117.54 2kpo s HIS 106 Ca 0.18 0.93 -0.26 0.00 -0.15 0.00 0.00 55.06 55.76 2kpo s HIS 106 Cb 0.01 -2.40 -0.06 0.00 1.11 0.00 0.00 32.58 31.24 2kpo s HIS 106 CO 0.13 0.44 2.31 -1.58 -0.85 0.00 0.00 174.74 175.19 2kpo s HIS 107 N -0.34 1.17 0.25 1.40 2.46 -1.26 -4.94 115.29 114.04 2kpo s HIS 107 Ca 0.24 1.39 0.05 0.00 0.47 0.00 0.00 55.06 57.21 2kpo s HIS 107 Cb -0.16 -3.68 -0.05 0.00 -0.13 0.00 0.00 32.58 28.56 2kpo s HIS 107 CO 0.12 -2.58 -0.03 -1.01 -2.47 0.00 0.00 174.74 168.76 2kpo s HIS 108 N 11.49 1.72 -0.12 3.88 3.76 -1.26 -5.07 115.29 129.69 2kpo s HIS 108 Ca 0.93 -0.82 0.19 0.00 -0.15 0.00 0.00 55.06 55.21 2kpo s HIS 108 Cb -0.17 -0.99 -0.23 0.00 1.11 0.00 0.00 32.58 32.30 2kpo s HIS 108 CO 0.26 0.10 0.51 0.72 -0.85 0.00 0.00 174.74 175.47 2kpo n HIS 109 N -0.48 0.38 -1.08 1.40 -0.00 -1.26 -5.22 115.22 108.95 2kpo n HIS 109 Ca -0.05 0.13 0.00 0.00 -0.00 0.00 0.00 57.72 57.79 2kpo n HIS 109 Cb 0.64 -0.87 0.00 0.00 -0.00 0.00 0.00 29.99 29.76 2kpo n HIS 109 CO 0.00 0.00 0.00 1.58 -0.00 0.00 0.00 176.34 177.92