#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 3.33 -0.17 -0.89 1.02 -0.02 -5.04 118.68 116.91 2kpo s LEU 2 Ca 0.00 -0.19 -0.00 0.00 0.02 0.00 0.00 54.13 53.96 2kpo s LEU 2 Cb 0.00 -1.86 0.04 0.00 0.02 0.00 0.00 46.19 44.39 2kpo s LEU 2 CO 0.00 0.04 -0.06 -0.76 0.02 0.00 0.00 176.35 175.59 2kpo s LEU 3 N 1.13 1.66 0.19 1.79 1.43 -1.26 -0.74 118.68 122.88 2kpo s LEU 3 Ca 0.03 -0.67 0.11 0.00 -1.03 0.00 0.00 54.13 52.58 2kpo s LEU 3 Cb -0.14 -0.95 -0.04 0.00 0.03 0.00 0.00 46.19 45.09 2kpo s LEU 3 CO 0.02 -0.18 -0.24 -0.31 0.23 0.00 0.00 176.35 175.88 2kpo s TYR 4 N 1.61 2.31 0.01 0.29 1.51 -0.19 -3.79 117.35 119.11 2kpo s TYR 4 Ca 0.01 -0.35 0.06 0.00 -1.01 0.00 0.00 57.07 55.77 2kpo s TYR 4 Cb -0.15 -1.14 -0.02 0.00 -0.11 0.00 0.00 41.96 40.54 2kpo s TYR 4 CO -0.08 0.51 -0.18 0.08 -1.11 0.00 0.00 175.55 174.77 2kpo s VAL 5 N -1.69 1.43 -0.05 0.71 1.01 -0.27 -0.41 120.40 121.13 2kpo s VAL 5 Ca 0.21 -0.92 0.04 0.00 0.00 0.00 0.00 61.98 61.31 2kpo s VAL 5 Cb -0.08 -1.22 -0.00 0.00 0.00 0.00 0.00 36.38 35.08 2kpo s VAL 5 CO 0.10 0.28 -0.16 -0.76 0.00 0.00 0.00 175.10 174.56 2kpo s LEU 6 N -0.74 1.89 -0.08 3.92 1.43 0.18 -0.33 118.68 124.95 2kpo s LEU 6 Ca 0.06 -0.35 0.01 0.00 -1.03 0.00 0.00 54.13 52.83 2kpo s LEU 6 Cb -0.08 -0.95 0.02 0.00 0.03 0.00 0.00 46.19 45.21 2kpo s LEU 6 CO 0.00 0.14 -0.10 -0.51 0.23 0.00 0.00 176.35 176.11 2kpo s ILE 7 N 0.12 1.05 -0.43 -0.59 2.07 -0.68 -0.40 121.20 122.34 2kpo s ILE 7 Ca -0.05 -0.38 -0.08 0.00 -1.41 0.00 0.00 60.65 58.72 2kpo s ILE 7 Cb -0.12 -1.01 0.10 0.00 0.13 0.00 0.00 42.46 41.56 2kpo s ILE 7 CO 0.02 0.35 0.28 -0.63 -1.91 0.00 0.00 174.94 173.05 2kpo s ILE 8 N 1.08 4.09 0.09 2.00 1.01 0.37 -0.68 121.20 129.17 2kpo s ILE 8 Ca -0.07 -1.61 -0.25 0.00 0.00 0.00 0.00 60.65 58.72 2kpo s ILE 8 Cb -0.14 -3.60 0.08 0.00 0.01 0.00 0.00 42.46 38.80 2kpo s ILE 8 CO -0.01 -0.61 0.68 -0.55 0.00 0.00 0.00 174.94 174.44 2kpo s SER 9 N 2.27 -0.54 -0.19 3.58 0.15 -1.26 -3.55 113.70 114.16 2kpo s SER 9 Ca 0.04 0.11 0.04 0.00 0.70 0.00 0.00 55.95 56.85 2kpo s SER 9 Cb -0.24 0.54 -0.21 0.00 -1.71 0.00 0.00 66.02 64.40 2kpo s SER 9 CO 0.00 -0.84 0.07 0.59 1.20 0.00 0.00 173.24 174.26 2kpo n ASN 10 N -0.14 1.49 -4.56 5.45 3.02 -1.26 -4.88 115.26 114.38 2kpo n ASN 10 Ca -0.16 0.03 -0.39 0.00 -0.03 0.00 0.00 54.58 54.03 2kpo n ASN 10 Cb 0.63 -0.19 -0.03 0.00 -0.61 0.00 0.00 39.78 39.58 2kpo n ASN 10 CO 0.00 0.00 0.00 -1.81 -2.62 0.00 0.00 177.26 172.83 2kpo s ASP 11 N -6.38 5.34 0.27 6.41 1.01 -1.26 -4.87 116.67 117.19 2kpo s ASP 11 Ca -0.24 0.63 -0.00 0.00 0.71 0.00 0.00 52.55 53.65 2kpo s ASP 11 Cb 0.08 -2.53 0.56 0.00 1.01 0.00 0.00 42.92 42.04 2kpo s ASP 11 CO 0.71 -2.27 1.77 0.11 0.21 0.00 0.00 175.17 175.70 2kpo h LYS 12 N 14.89 0.64 -0.56 8.23 1.79 -1.99 -1.73 116.57 137.84 2kpo h LYS 12 Ca -0.27 -0.04 0.05 0.00 -2.18 0.00 0.00 60.65 58.21 2kpo h LYS 12 Cb 1.17 -0.14 -0.05 0.00 -1.58 0.00 0.00 32.23 31.63 2kpo h LYS 12 CO 1.17 0.42 0.29 0.87 -1.08 0.00 0.00 179.45 181.12 2kpo h LYS 13 N 0.66 0.54 -0.68 3.15 1.79 -2.00 0.69 116.57 120.71 2kpo h LYS 13 Ca 0.48 -0.03 -0.06 0.00 -2.18 0.00 0.00 60.65 58.85 2kpo h LYS 13 Cb 0.67 -0.12 -0.03 0.00 -1.58 0.00 0.00 32.23 31.18 2kpo h LYS 13 CO -0.36 0.35 0.18 1.25 -1.08 0.00 0.00 179.45 179.80 2kpo h LEU 14 N 0.55 1.02 -0.35 2.94 6.46 -1.77 -2.21 115.31 121.96 2kpo h LEU 14 Ca 0.25 -0.23 -0.01 0.00 -0.12 0.00 0.00 57.88 57.77 2kpo h LEU 14 Cb 0.16 -0.27 -0.02 0.00 -0.73 0.00 0.00 40.66 39.80 2kpo h LEU 14 CO -0.17 0.98 0.17 0.40 -0.62 0.00 0.00 178.44 179.20 2kpo h ILE 15 N 1.01 1.16 -0.43 4.05 2.04 -0.61 -2.74 117.51 121.99 2kpo h ILE 15 Ca 0.22 -0.46 -0.02 0.00 1.00 0.00 0.00 64.86 65.59 2kpo h ILE 15 Cb 0.35 0.82 -0.02 0.00 -0.74 0.00 0.00 36.82 37.23 2kpo h ILE 15 CO -0.00 0.17 0.18 -0.33 0.00 0.00 0.00 178.15 178.16 2kpo h GLU 16 N 0.43 0.64 -0.88 2.37 4.39 -0.78 -0.33 114.58 120.41 2kpo h GLU 16 Ca 0.12 -0.11 0.15 0.00 0.34 0.00 0.00 59.36 59.86 2kpo h GLU 16 Cb 0.12 -0.11 -0.10 0.00 -0.10 0.00 0.00 28.75 28.56 2kpo h GLU 16 CO -0.02 0.59 0.48 0.93 -1.16 0.00 0.00 179.01 179.83 2kpo h GLU 17 N 0.55 0.65 -0.17 2.33 4.39 -1.33 0.87 114.58 121.87 2kpo h GLU 17 Ca 0.14 -0.04 -0.03 0.00 0.34 0.00 0.00 59.36 59.77 2kpo h GLU 17 Cb 0.18 -0.15 -0.01 0.00 -0.10 0.00 0.00 28.75 28.68 2kpo h GLU 17 CO -0.01 0.43 -0.03 0.00 -1.16 0.00 0.00 179.01 178.24 2kpo h ALA 18 N 1.57 0.23 -1.00 3.43 0.00 -1.16 -3.14 119.26 119.20 2kpo h ALA 18 Ca 0.49 -0.23 0.15 0.00 0.00 0.00 0.00 54.91 55.32 2kpo h ALA 18 Cb 0.69 -0.06 -0.09 0.00 0.00 0.00 0.00 17.79 18.33 2kpo h ALA 18 CO -0.36 -0.02 0.63 0.00 0.00 0.00 0.00 179.25 179.49 2kpo h ARG 19 N 0.04 0.88 -0.87 0.00 3.08 0.11 -1.05 114.38 116.57 2kpo h ARG 19 Ca 0.04 -0.05 0.02 0.00 0.07 0.00 0.00 59.98 60.06 2kpo h ARG 19 Cb 0.45 -0.20 -0.05 0.00 0.08 0.00 0.00 29.97 30.25 2kpo h ARG 19 CO 0.01 0.58 0.58 0.87 -1.07 0.00 0.00 179.97 180.94 2kpo h LYS 20 N 0.91 1.11 -0.08 0.04 1.57 -0.83 -0.46 116.57 118.82 2kpo h LYS 20 Ca 0.53 -0.07 -0.23 0.00 -1.87 0.00 0.00 60.65 59.01 2kpo h LYS 20 Cb 0.65 -0.25 0.01 0.00 0.08 0.00 0.00 32.23 32.72 2kpo h LYS 20 CO -0.31 0.73 -0.88 0.52 -0.57 0.00 0.00 179.45 178.95 2kpo h MET 21 N 1.14 0.68 -1.00 3.15 2.86 -1.28 -3.10 114.93 117.39 2kpo h MET 21 Ca 0.33 -0.63 0.07 0.00 -2.06 0.00 0.00 59.70 57.41 2kpo h MET 21 Cb -0.07 0.15 -0.07 0.00 0.06 0.00 0.00 31.60 31.67 2kpo h MET 21 CO -0.08 1.23 0.64 0.00 1.06 0.00 0.00 176.91 179.76 2kpo h ALA 22 N 0.57 1.43 -0.40 6.32 0.00 -0.69 -0.41 119.26 126.08 2kpo h ALA 22 Ca -0.08 -0.02 0.05 0.00 0.00 0.00 0.00 54.91 54.87 2kpo h ALA 22 Cb 1.51 -0.29 -0.05 0.00 0.00 0.00 0.00 17.79 18.96 2kpo h ALA 22 CO 0.17 0.41 0.12 0.93 0.00 0.00 0.00 179.25 180.89 2kpo h GLU 23 N 1.14 0.27 -0.45 0.00 4.39 -1.09 0.33 114.58 119.17 2kpo h GLU 23 Ca 0.44 -0.02 -0.05 0.00 0.34 0.00 0.00 59.36 60.07 2kpo h GLU 23 Cb 0.21 -0.06 -0.02 0.00 -0.10 0.00 0.00 28.75 28.78 2kpo h GLU 23 CO -0.18 0.18 0.10 0.87 -1.16 0.00 0.00 179.01 178.81 2kpo h LYS 24 N 0.28 0.73 -0.00 2.33 1.79 -1.21 -2.59 116.57 117.89 2kpo h LYS 24 Ca 0.19 -0.18 0.00 0.00 -2.18 0.00 0.00 60.65 58.48 2kpo h LYS 24 Cb 0.19 -0.09 0.00 0.00 -1.58 0.00 0.00 32.23 30.74 2kpo h LYS 24 CO -0.21 0.73 -0.02 0.00 -1.08 0.00 0.00 179.45 178.88 2kpo n ALA 25 N -2.37 2.53 -1.97 3.86 0.00 -0.27 -4.91 120.51 117.39 2kpo n ALA 25 Ca 0.00 -0.16 -0.14 0.00 0.00 0.00 0.00 53.44 53.14 2kpo n ALA 25 Cb 0.22 -1.47 -0.03 0.00 0.00 0.00 0.00 19.45 18.18 2kpo n ALA 25 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 2kpo n ASN 26 N -1.24 -4.46 -4.84 0.00 3.02 0.88 -5.01 115.26 103.61 2kpo n ASN 26 Ca 0.15 0.11 -0.37 0.00 -0.03 0.00 0.00 54.58 54.43 2kpo n ASN 26 Cb 0.24 -3.48 -0.06 0.00 -0.61 0.00 0.00 39.78 35.87 2kpo n ASN 26 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 2kpo s LEU 27 N -3.77 4.42 -0.50 3.41 1.43 0.41 -4.98 118.68 119.10 2kpo s LEU 27 Ca 0.00 0.72 -0.27 0.00 -1.03 0.00 0.00 54.13 53.55 2kpo s LEU 27 Cb 0.00 -2.36 0.03 0.00 0.03 0.00 0.00 46.19 43.89 2kpo s LEU 27 CO 0.00 0.34 1.08 -0.70 0.23 0.00 0.00 176.35 177.29 2kpo s GLU 28 N -0.91 3.60 -0.41 1.70 2.12 -1.25 -4.42 118.70 119.12 2kpo s GLU 28 Ca 0.20 0.32 -0.20 0.00 0.36 0.00 0.00 54.97 55.65 2kpo s GLU 28 Cb -0.14 -3.95 0.02 0.00 0.26 0.00 0.00 34.13 30.32 2kpo s GLU 28 CO 0.09 -1.41 0.58 -1.17 -0.54 0.00 0.00 175.26 172.80 2kpo s LEU 29 N 4.33 4.53 -0.15 2.70 0.20 -1.26 -1.11 118.68 127.92 2kpo s LEU 29 Ca 0.43 -0.32 -0.07 0.00 0.69 0.00 0.00 54.13 54.85 2kpo s LEU 29 Cb -0.08 -2.64 -0.04 0.00 -0.43 0.00 0.00 46.19 43.00 2kpo s LEU 29 CO 0.28 -0.67 0.11 -0.13 -0.29 0.00 0.00 176.35 175.65 2kpo s ARG 30 N 2.59 3.69 -0.16 1.98 1.81 0.55 -4.99 118.95 124.43 2kpo s ARG 30 Ca 0.20 -0.21 -0.22 0.00 -1.72 0.00 0.00 55.73 53.78 2kpo s ARG 30 Cb -0.15 -3.23 -0.03 0.00 -0.45 0.00 0.00 34.95 31.10 2kpo s ARG 30 CO 0.17 0.57 0.66 0.95 -0.68 0.00 0.00 175.30 176.96 2kpo s THR 31 N -0.42 5.02 0.05 0.02 -4.23 -1.26 -1.68 115.64 113.14 2kpo s THR 31 Ca 0.11 1.29 0.02 0.00 -1.18 0.00 0.00 61.69 61.93 2kpo s THR 31 Cb -0.12 -3.98 -0.04 0.00 1.34 0.00 0.00 72.50 69.70 2kpo s THR 31 CO 0.02 0.15 0.09 -0.69 -0.54 0.00 0.00 174.62 173.65 2kpo s VAL 32 N 1.57 4.66 0.00 2.29 1.01 0.14 -4.93 120.40 125.15 2kpo s VAL 32 Ca 0.32 -0.62 0.00 0.00 0.00 0.00 0.00 61.98 61.67 2kpo s VAL 32 Cb -0.16 -3.21 0.00 0.00 0.00 0.00 0.00 36.38 33.00 2kpo s VAL 32 CO 0.12 0.20 0.00 0.29 0.00 0.00 0.00 175.10 175.71 2kpo n LYS 33 N 0.67 0.00 -4.44 2.72 5.02 -1.26 -4.11 118.16 116.75 2kpo n LYS 33 Ca -0.10 0.00 -0.26 0.00 -2.02 0.00 0.00 58.31 55.93 2kpo n LYS 33 Cb 0.52 -0.64 -0.10 0.00 -0.02 0.00 0.00 35.03 34.80 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 -1.76 2.19 0.23 -0.18 -4.23 -1.26 -5.00 115.64 105.62 2kpo s THR 34 Ca 0.00 -1.94 -0.06 0.00 -1.18 0.00 0.00 61.69 58.52 2kpo s THR 34 Cb 0.00 -2.94 0.19 0.00 1.34 0.00 0.00 72.50 71.10 2kpo s THR 34 CO 0.00 -0.05 1.78 -0.08 -0.54 0.00 0.00 174.62 175.74 2kpo h GLU 35 N 1.71 0.63 -0.67 3.99 4.57 -2.00 -1.88 114.58 120.92 2kpo h GLU 35 Ca -0.43 -0.04 -0.07 0.00 -1.18 0.00 0.00 59.36 57.64 2kpo h GLU 35 Cb 1.25 -0.14 -0.03 0.00 -0.16 0.00 0.00 28.75 29.67 2kpo h GLU 35 CO 0.75 0.42 0.16 0.22 -1.18 0.00 0.00 179.01 179.37 2kpo h ASP 36 N 0.65 1.02 -0.25 1.04 1.82 -1.99 -2.79 116.42 115.92 2kpo h ASP 36 Ca 0.37 -0.24 0.01 0.00 -0.39 0.00 0.00 57.03 56.79 2kpo h ASP 36 Cb 0.40 -0.27 -0.02 0.00 0.68 0.00 0.00 39.33 40.12 2kpo h ASP 36 CO -0.27 0.99 0.13 -0.33 -1.61 0.00 0.00 179.24 178.15 2kpo h GLU 37 N 1.00 0.27 -0.11 0.28 4.39 -1.80 0.24 114.58 118.85 2kpo h GLU 37 Ca 0.21 -0.02 0.04 0.00 0.34 0.00 0.00 59.36 59.94 2kpo h GLU 37 Cb 0.38 -0.06 -0.05 0.00 -0.10 0.00 0.00 28.75 28.91 2kpo h GLU 37 CO 0.00 0.18 -0.22 1.25 -1.16 0.00 0.00 179.01 179.06 2kpo h LEU 38 N 0.28 -0.69 -0.58 1.33 7.12 -1.26 -1.29 115.31 120.21 2kpo h LEU 38 Ca 0.10 0.11 0.07 0.00 0.13 0.00 0.00 57.88 58.29 2kpo h LEU 38 Cb 0.01 0.31 -0.06 0.00 -0.53 0.00 0.00 40.66 40.39 2kpo h LEU 38 CO -0.06 -0.28 0.28 0.50 -0.13 0.00 0.00 178.44 178.75 2kpo h LYS 39 N -0.29 0.50 -0.29 1.25 3.64 -1.31 -2.65 116.57 117.43 2kpo h LYS 39 Ca 0.10 -0.03 0.07 0.00 -1.27 0.00 0.00 60.65 59.51 2kpo h LYS 39 Cb 0.43 -0.11 -0.07 0.00 -0.41 0.00 0.00 32.23 32.07 2kpo h LYS 39 CO -0.28 0.33 -0.20 -0.22 -2.27 0.00 0.00 179.45 176.81 2kpo h LYS 40 N 0.52 -0.17 -0.37 1.90 3.64 0.54 0.34 116.57 122.97 2kpo h LYS 40 Ca 0.27 0.01 -0.10 0.00 -1.27 0.00 0.00 60.65 59.56 2kpo h LYS 40 Cb 0.23 0.04 -0.02 0.00 -0.41 0.00 0.00 32.23 32.08 2kpo h LYS 40 CO -0.21 -0.12 -0.19 1.88 -2.27 0.00 0.00 179.45 178.54 2kpo h TYR 41 N -0.18 0.78 -0.74 1.91 0.05 -1.23 -2.72 116.97 114.83 2kpo h TYR 41 Ca 0.15 -0.16 -0.01 0.00 0.05 0.00 0.00 58.73 58.76 2kpo h TYR 41 Cb 0.41 -0.19 -0.04 0.00 1.01 0.00 0.00 36.73 37.93 2kpo h TYR 41 CO -0.38 0.84 0.43 -0.07 -1.05 0.00 0.00 178.16 177.92 2kpo h LEU 42 N 0.62 0.91 -1.16 3.88 3.38 -0.95 -0.61 115.31 121.38 2kpo h LEU 42 Ca 0.09 -0.08 -0.01 0.00 0.09 0.00 0.00 57.88 57.98 2kpo h LEU 42 Cb 0.67 -0.23 -0.04 0.00 0.09 0.00 0.00 40.66 41.15 2kpo h LEU 42 CO 0.05 0.73 0.45 -0.33 0.09 0.00 0.00 178.44 179.42 2kpo h GLU 43 N 1.02 1.03 -0.26 1.13 5.08 -0.75 -1.30 114.58 120.52 2kpo h GLU 43 Ca 0.26 -0.09 -0.04 0.00 -1.00 0.00 0.00 59.36 58.49 2kpo h GLU 43 Cb -0.00 -0.22 -0.01 0.00 0.50 0.00 0.00 28.75 29.02 2kpo h GLU 43 CO -0.05 0.72 0.01 1.49 -1.00 0.00 0.00 179.01 180.19 2kpo h GLU 44 N 1.04 0.46 0.00 2.33 4.81 -1.12 -3.07 114.58 119.03 2kpo h GLU 44 Ca 0.27 -0.14 -0.03 0.00 -0.13 0.00 0.00 59.36 59.33 2kpo h GLU 44 Cb -0.03 -0.05 -0.00 0.00 0.63 0.00 0.00 28.75 29.30 2kpo h GLU 44 CO -0.05 0.61 -0.14 0.74 -0.73 0.00 0.00 179.01 179.44 2kpo h PHE 45 N 0.25 0.00 -0.11 0.92 0.05 -0.69 -2.38 116.94 114.98 2kpo h PHE 45 Ca 0.08 0.00 0.03 0.00 3.82 0.00 0.00 57.97 61.90 2kpo h PHE 45 Cb 0.39 0.00 -0.00 0.00 2.00 0.00 0.00 35.95 38.34 2kpo h PHE 45 CO 0.03 0.14 0.19 0.00 -0.18 0.00 0.00 178.31 178.50 2kpo h ARG 46 N 0.00 0.00 0.15 1.51 3.08 -1.15 -2.02 114.38 115.95 2kpo h ARG 46 Ca -0.00 0.00 -0.01 0.00 0.07 0.00 0.00 59.98 60.04 2kpo h ARG 46 Cb 0.28 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.33 2kpo h ARG 46 CO 0.02 0.00 -0.07 0.87 -1.07 0.00 0.00 179.97 179.72 2kpo h LYS 47 N 0.00 -0.19 -1.07 0.04 1.57 -1.56 -2.99 116.57 112.36 2kpo h LYS 47 Ca 0.05 0.01 -0.39 0.00 -1.87 0.00 0.00 60.65 58.46 2kpo h LYS 47 Cb 0.44 0.04 -0.21 0.00 0.08 0.00 0.00 32.23 32.58 2kpo h LYS 47 CO -0.00 -0.10 0.49 0.39 -0.57 0.00 0.00 179.45 179.67 2kpo n GLU 48 N -5.16 1.93 0.00 3.15 4.71 -0.77 -4.63 120.64 119.87 2kpo n GLU 48 Ca -0.08 -2.12 0.02 0.00 -0.01 0.00 0.00 57.16 54.96 2kpo n GLU 48 Cb 0.12 -1.83 0.12 0.00 -1.01 0.00 0.00 31.44 28.83 2kpo n GLU 48 CO 0.00 0.00 0.00 -1.13 0.09 0.00 0.00 177.13 176.09 2kpo n SER 49 N -0.53 0.00 0.13 1.62 3.41 -1.13 -3.01 113.62 114.10 2kpo n SER 49 Ca 0.42 -0.40 -0.11 0.00 -0.26 0.00 0.00 58.87 58.52 2kpo n SER 49 Cb 1.15 0.00 -0.07 0.00 -0.26 0.00 0.00 64.21 65.03 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 -0.37 -0.23 4.33 1.08 -1.88 -3.40 115.11 114.64 2kpo h GLN 50 Ca 0.00 0.03 -0.22 0.00 -1.45 0.00 0.00 58.65 57.01 2kpo h GLN 50 Cb 0.00 0.08 -0.33 0.00 -0.05 0.00 0.00 27.48 27.18 2kpo h GLN 50 CO 0.00 -0.03 -0.94 0.09 -0.95 0.00 0.00 178.83 177.00 2kpo n ASN 51 N -5.05 1.84 -4.72 1.46 3.02 -1.17 -5.08 115.26 105.55 2kpo n ASN 51 Ca -0.08 -2.58 -0.35 0.00 -0.03 0.00 0.00 54.58 51.54 2kpo n ASN 51 Cb 0.26 -0.40 -0.09 0.00 -0.61 0.00 0.00 39.78 38.94 2kpo n ASN 51 CO 0.00 0.00 0.00 -0.51 -2.62 0.00 0.00 177.26 174.13 2kpo s ILE 52 N -2.36 4.58 -0.02 2.41 2.07 -1.18 -0.84 121.20 125.87 2kpo s ILE 52 Ca 0.35 -0.14 0.06 0.00 -1.41 0.00 0.00 60.65 59.51 2kpo s ILE 52 Cb 0.37 -2.95 -0.01 0.00 0.13 0.00 0.00 42.46 40.00 2kpo s ILE 52 CO -0.08 0.61 -0.19 -0.54 -1.91 0.00 0.00 174.94 172.82 2kpo s LYS 53 N -0.88 1.58 -0.09 3.50 1.02 0.08 -4.80 119.74 120.15 2kpo s LYS 53 Ca 0.13 -0.69 0.01 0.00 0.02 0.00 0.00 55.97 55.45 2kpo s LYS 53 Cb -0.12 -1.52 -0.02 0.00 -0.52 0.00 0.00 37.83 35.66 2kpo s LYS 53 CO 0.03 0.41 -0.13 0.08 -0.92 0.00 0.00 175.35 174.81 2kpo s VAL 54 N -0.43 3.08 -0.09 3.17 1.01 -0.30 -1.02 120.40 125.82 2kpo s VAL 54 Ca 0.07 -0.68 -0.01 0.00 0.00 0.00 0.00 61.98 61.35 2kpo s VAL 54 Cb -0.08 -2.25 -0.03 0.00 0.00 0.00 0.00 36.38 34.02 2kpo s VAL 54 CO -0.01 0.55 -0.03 -0.22 0.00 0.00 0.00 175.10 175.40 2kpo s LEU 55 N -0.14 3.39 -0.10 3.92 2.96 0.45 -0.18 118.68 128.99 2kpo s LEU 55 Ca -0.01 0.04 0.01 0.00 -0.22 0.00 0.00 54.13 53.96 2kpo s LEU 55 Cb -0.14 -1.77 0.02 0.00 0.50 0.00 0.00 46.19 44.80 2kpo s LEU 55 CO 0.03 0.33 -0.12 -0.63 -1.32 0.00 0.00 176.35 174.64 2kpo s ILE 56 N -0.63 1.29 -0.22 6.68 1.01 0.33 0.51 121.20 130.16 2kpo s ILE 56 Ca 0.10 -0.51 0.01 0.00 0.00 0.00 0.00 60.65 60.24 2kpo s ILE 56 Cb -0.12 -1.21 0.03 0.00 0.01 0.00 0.00 42.46 41.18 2kpo s ILE 56 CO 0.02 0.40 -0.13 -0.76 0.00 0.00 0.00 174.94 174.47 2kpo s LEU 57 N 1.10 2.78 0.15 2.97 2.01 0.46 -0.53 118.68 127.63 2kpo s LEU 57 Ca -0.05 -0.89 0.08 0.00 0.01 0.00 0.00 54.13 53.27 2kpo s LEU 57 Cb -0.14 -1.56 -0.04 0.00 0.01 0.00 0.00 46.19 44.46 2kpo s LEU 57 CO -0.02 -0.08 -0.17 0.68 1.01 0.00 0.00 176.35 177.76 2kpo s VAL 58 N 1.26 1.70 -0.16 -1.59 -7.23 -0.44 -0.48 120.40 113.45 2kpo s VAL 58 Ca 0.00 -1.84 -0.13 0.00 -1.81 0.00 0.00 61.98 58.20 2kpo s VAL 58 Cb -0.16 -1.75 -0.23 0.00 0.56 0.00 0.00 36.38 34.81 2kpo s VAL 58 CO -0.08 -0.32 0.27 -1.54 -0.31 0.00 0.00 175.10 173.12 2kpo n SER 59 N 0.41 2.01 -4.83 4.85 3.41 -1.23 -0.07 113.62 118.17 2kpo n SER 59 Ca -0.14 0.29 -0.37 0.00 -0.26 0.00 0.00 58.87 58.39 2kpo n SER 59 Cb 0.57 -0.90 -0.06 0.00 -0.26 0.00 0.00 64.21 63.56 2kpo n SER 59 CO 0.00 0.00 0.00 0.20 -0.16 0.00 0.00 175.04 175.08 2kpo s ASN 60 N -6.97 6.89 0.24 4.04 -0.87 -1.26 -4.64 114.94 112.37 2kpo s ASN 60 Ca -0.26 1.09 -0.04 0.00 -1.57 0.00 0.00 52.86 52.09 2kpo s ASN 60 Cb 0.07 -2.29 0.28 0.00 -0.02 0.00 0.00 41.25 39.28 2kpo s ASN 60 CO 0.69 0.22 1.75 -2.24 -2.57 0.00 0.00 177.10 174.95 2kpo h ASP 61 N 4.19 0.86 -0.48 -1.22 2.03 -1.99 -0.88 116.42 118.93 2kpo h ASP 61 Ca -0.50 -0.20 -0.07 0.00 -0.73 0.00 0.00 57.03 55.53 2kpo h ASP 61 Cb 1.21 -0.23 -0.02 0.00 -0.83 0.00 0.00 39.33 39.46 2kpo h ASP 61 CO 0.64 0.88 0.02 -0.33 -1.03 0.00 0.00 179.24 179.42 2kpo h GLU 62 N 0.84 0.83 -0.15 4.15 5.08 -1.99 -1.37 114.58 121.97 2kpo h GLU 62 Ca 0.17 -0.26 -0.05 0.00 -1.00 0.00 0.00 59.36 58.22 2kpo h GLU 62 Cb 0.42 -0.08 -0.01 0.00 0.50 0.00 0.00 28.75 29.58 2kpo h GLU 62 CO 0.01 0.87 -0.14 0.93 -1.00 0.00 0.00 179.01 179.68 2kpo h GLU 63 N 0.69 0.24 -0.29 2.33 4.39 -1.93 0.01 114.58 120.03 2kpo h GLU 63 Ca 0.14 -0.06 0.01 0.00 0.34 0.00 0.00 59.36 59.79 2kpo h GLU 63 Cb 0.48 -0.03 -0.02 0.00 -0.10 0.00 0.00 28.75 29.08 2kpo h GLU 63 CO 0.02 0.38 0.17 1.25 -1.16 0.00 0.00 179.01 179.67 2kpo h LEU 64 N 0.23 0.27 -0.58 1.33 5.85 -0.79 -1.65 115.31 119.98 2kpo h LEU 64 Ca 0.05 0.00 -0.03 0.00 0.84 0.00 0.00 57.88 58.74 2kpo h LEU 64 Cb 0.39 -0.06 -0.03 0.00 0.37 0.00 0.00 40.66 41.33 2kpo h LEU 64 CO 0.02 0.20 0.26 -0.78 -0.34 0.00 0.00 178.44 177.80 2kpo h ASP 65 N 0.35 0.77 -0.66 1.25 -0.00 -0.39 -2.26 116.42 115.47 2kpo h ASP 65 Ca 0.11 -0.15 0.03 0.00 -0.00 0.00 0.00 57.03 57.03 2kpo h ASP 65 Cb -0.00 -0.20 -0.04 0.00 -0.00 0.00 0.00 39.33 39.08 2kpo h ASP 65 CO -0.05 0.71 0.41 0.11 -0.00 0.00 0.00 179.24 180.41 2kpo h LYS 66 N 0.79 0.77 0.07 0.28 1.79 -0.86 -0.35 116.57 119.07 2kpo h LYS 66 Ca 0.20 -0.05 -0.00 0.00 -2.18 0.00 0.00 60.65 58.62 2kpo h LYS 66 Cb 0.15 -0.17 0.00 0.00 -1.58 0.00 0.00 32.23 30.63 2kpo h LYS 66 CO -0.02 0.51 -0.04 0.00 -1.08 0.00 0.00 179.45 178.82 2kpo h ALA 67 N 1.29 -0.10 0.00 3.86 0.00 -1.06 -2.19 119.26 121.06 2kpo h ALA 67 Ca 0.27 -0.03 -0.05 0.00 0.00 0.00 0.00 54.91 55.10 2kpo h ALA 67 Cb 0.04 0.04 -0.01 0.00 0.00 0.00 0.00 17.79 17.86 2kpo h ALA 67 CO -0.11 -0.55 -0.24 1.57 0.00 0.00 0.00 179.25 179.92 2kpo h LYS 68 N -0.11 0.00 0.72 0.00 2.10 -1.19 -1.28 116.57 116.82 2kpo h LYS 68 Ca -0.01 0.00 -0.04 0.00 -2.00 0.00 0.00 60.65 58.60 2kpo h LYS 68 Cb 0.08 0.00 0.01 0.00 -0.90 0.00 0.00 32.23 31.42 2kpo h LYS 68 CO 0.02 0.24 -0.35 0.93 -2.00 0.00 0.00 179.45 178.29 2kpo h GLU 69 N 0.00 -0.94 0.03 0.07 5.08 -0.75 -1.24 114.58 116.82 2kpo h GLU 69 Ca -0.00 0.06 0.01 0.00 -1.00 0.00 0.00 59.36 58.43 2kpo h GLU 69 Cb 0.45 0.21 -0.02 0.00 0.50 0.00 0.00 28.75 29.90 2kpo h GLU 69 CO 0.03 -0.60 -0.10 -0.07 -1.00 0.00 0.00 179.01 177.28 2kpo h LEU 70 N -1.10 -0.27 -0.18 1.33 3.38 -1.27 -1.62 115.31 115.58 2kpo h LEU 70 Ca -0.10 0.04 0.03 0.00 0.09 0.00 0.00 57.88 57.94 2kpo h LEU 70 Cb 0.77 0.11 -0.03 0.00 0.09 0.00 0.00 40.66 41.60 2kpo h LEU 70 CO 0.16 -0.14 -0.01 0.00 0.09 0.00 0.00 178.44 178.55 2kpo h ALA 71 N 0.78 0.15 -0.17 1.53 0.00 -1.30 -0.60 119.26 119.65 2kpo h ALA 71 Ca 0.03 0.05 -0.01 0.00 0.00 0.00 0.00 54.91 54.98 2kpo h ALA 71 Cb 0.21 0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.08 2kpo h ALA 71 CO -0.08 -0.44 0.07 1.96 0.00 0.00 0.00 179.25 180.76 2kpo h GLN 72 N 0.05 0.26 0.00 0.00 4.20 -1.16 0.13 115.11 118.59 2kpo h GLN 72 Ca 0.08 -0.05 -0.01 0.00 0.06 0.00 0.00 58.65 58.74 2kpo h GLN 72 Cb 0.11 -0.04 -0.00 0.00 0.30 0.00 0.00 27.48 27.84 2kpo h GLN 72 CO -0.15 0.34 -0.04 0.87 -0.67 0.00 0.00 178.83 179.18 2kpo h LYS 73 N 0.12 0.00 -0.16 1.46 1.57 -1.17 -0.54 116.57 117.85 2kpo h LYS 73 Ca 0.06 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.84 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 -0.00 0.04 0.00 -1.33 -0.57 0.00 0.00 179.45 177.59 2kpo n MET 74 N -3.19 2.26 -3.16 3.15 2.81 -0.24 -4.98 117.12 113.76 2kpo n MET 74 Ca -0.00 -1.86 -0.23 0.00 -1.81 0.00 0.00 57.70 53.79 2kpo n MET 74 Cb 0.27 -1.48 0.03 0.00 -0.71 0.00 0.00 33.22 31.33 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 1.17 -4.80 -3.76 0.03 1.02 0.33 -4.98 120.64 109.65 2kpo n GLU 75 Ca 0.17 0.80 -0.36 0.00 -0.02 0.00 0.00 57.16 57.75 2kpo n GLU 75 Cb 0.55 -5.65 -0.06 0.00 -0.02 0.00 0.00 31.44 26.27 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 -3.14 5.32 -0.42 -3.67 1.01 -0.50 -5.02 121.20 114.78 2kpo s ILE 76 Ca 0.35 0.28 -0.29 0.00 0.00 0.00 0.00 60.65 61.00 2kpo s ILE 76 Cb -0.17 -3.54 0.01 0.00 0.01 0.00 0.00 42.46 38.77 2kpo s ILE 76 CO 0.44 0.47 1.42 -0.62 0.00 0.00 0.00 174.94 176.65 2kpo s ASP 77 N -1.42 6.30 0.09 3.58 2.15 -1.26 -4.65 116.67 121.46 2kpo s ASP 77 Ca 0.23 0.80 0.04 0.00 0.43 0.00 0.00 52.55 54.05 2kpo s ASP 77 Cb -0.13 -2.54 -0.03 0.00 -0.30 0.00 0.00 42.92 39.91 2kpo s ASP 77 CO 0.12 -1.47 -0.10 0.68 -0.17 0.00 0.00 175.17 174.23 2kpo s VAL 78 N 5.54 0.93 -0.50 1.11 -7.23 -1.26 -1.15 120.40 117.84 2kpo s VAL 78 Ca 0.61 -1.57 0.00 0.00 -1.81 0.00 0.00 61.98 59.22 2kpo s VAL 78 Cb -0.14 -1.28 0.13 0.00 0.56 0.00 0.00 36.38 35.66 2kpo s VAL 78 CO 0.32 -0.51 0.27 -0.13 -0.31 0.00 0.00 175.10 174.74 2kpo s ARG 79 N -2.60 2.09 -0.36 4.82 3.00 0.75 -4.96 118.95 121.69 2kpo s ARG 79 Ca 0.04 -2.29 -0.29 0.00 0.00 0.00 0.00 55.73 53.18 2kpo s ARG 79 Cb -0.04 -3.50 0.02 0.00 0.00 0.00 0.00 34.95 31.43 2kpo s ARG 79 CO 0.00 -1.09 1.11 0.95 0.00 0.00 0.00 175.30 176.26 2kpo s THR 80 N 0.30 4.40 0.12 0.02 -4.23 -1.26 -0.52 115.64 114.47 2kpo s THR 80 Ca 0.14 1.57 0.08 0.00 -1.18 0.00 0.00 61.69 62.30 2kpo s THR 80 Cb -0.22 -4.46 -0.04 0.00 1.34 0.00 0.00 72.50 69.12 2kpo s THR 80 CO -0.03 -0.63 -0.19 -0.13 -0.54 0.00 0.00 174.62 173.09 2kpo s ARG 81 N 3.91 1.14 -0.16 3.99 1.81 0.31 -4.99 118.95 124.96 2kpo s ARG 81 Ca 0.47 -1.22 -0.01 0.00 -1.72 0.00 0.00 55.73 53.25 2kpo s ARG 81 Cb -0.11 -1.31 -0.01 0.00 -0.45 0.00 0.00 34.95 33.07 2kpo s ARG 81 CO 0.20 0.29 -0.11 0.21 -0.68 0.00 0.00 175.30 175.22 2kpo s LYS 82 N -2.17 3.36 -0.12 3.54 2.20 -1.26 -1.33 119.74 123.96 2kpo s LYS 82 Ca 0.08 -0.67 -0.03 0.00 -0.36 0.00 0.00 55.97 54.99 2kpo s LYS 82 Cb -0.09 -2.75 -0.03 0.00 -1.51 0.00 0.00 37.83 33.45 2kpo s LYS 82 CO 0.05 0.06 0.01 0.14 -0.36 0.00 0.00 175.35 175.24 2kpo s VAL 83 N 0.76 4.34 -0.23 4.02 -7.23 0.91 -4.94 120.40 118.03 2kpo s VAL 83 Ca -0.04 -0.22 -0.06 0.00 -1.81 0.00 0.00 61.98 59.84 2kpo s VAL 83 Cb -0.15 -2.87 -0.18 0.00 0.56 0.00 0.00 36.38 33.74 2kpo s VAL 83 CO 0.01 0.55 -0.07 0.35 -0.31 0.00 0.00 175.10 175.63 2kpo n THR 84 N 2.71 1.57 -4.28 5.32 -2.24 -1.26 -4.42 114.28 111.68 2kpo n THR 84 Ca -0.18 -0.49 -0.16 0.00 -2.27 0.00 0.00 64.05 60.95 2kpo n THR 84 Cb 0.53 -1.66 -0.10 0.00 -2.10 0.00 0.00 70.33 67.00 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 -6.90 2.07 0.39 3.42 0.01 -1.26 -5.06 113.70 106.37 2kpo s SER 85 Ca -0.32 -0.99 0.18 0.00 1.31 0.00 0.00 55.95 56.12 2kpo s SER 85 Cb 0.09 -0.06 1.09 0.00 0.21 0.00 0.00 66.02 67.36 2kpo s SER 85 CO 0.61 -0.26 1.76 -0.65 0.41 0.00 0.00 173.24 175.11 2kpo h PRO 86 N 2.79 0.39 -0.16 12.44 0.11 -1.95 -0.26 132.00 145.35 2kpo h PRO 86 Ca -0.37 -0.02 -0.00 0.00 0.11 0.00 0.00 66.00 65.71 2kpo h PRO 86 Cb 1.20 -0.09 -0.01 0.00 0.11 0.00 0.00 31.00 32.21 2kpo h PRO 86 CO 0.62 0.26 0.09 0.38 -0.21 0.00 0.00 178.00 179.13 2kpo h ASP 87 N 0.40 0.19 0.51 -2.05 3.04 -1.97 -2.41 116.42 114.15 2kpo h ASP 87 Ca 0.62 -0.01 -0.02 0.00 -3.24 0.00 0.00 57.03 54.38 2kpo h ASP 87 Cb 1.53 -0.05 -0.01 0.00 -1.04 0.00 0.00 39.33 39.76 2kpo h ASP 87 CO -0.33 0.16 -0.35 -0.33 -2.04 0.00 0.00 179.24 176.35 2kpo h GLU 88 N 0.22 -0.80 -0.42 4.15 4.39 -1.46 -1.42 114.58 119.25 2kpo h GLU 88 Ca 0.06 0.05 0.07 0.00 0.34 0.00 0.00 59.36 59.88 2kpo h GLU 88 Cb 0.01 0.18 -0.06 0.00 -0.10 0.00 0.00 28.75 28.78 2kpo h GLU 88 CO -0.01 -0.53 0.06 0.00 -1.16 0.00 0.00 179.01 177.37 2kpo h ALA 89 N -0.44 0.44 -0.66 3.43 0.00 -1.53 0.12 119.26 120.62 2kpo h ALA 89 Ca -0.06 0.10 0.06 0.00 0.00 0.00 0.00 54.91 55.01 2kpo h ALA 89 Cb 0.69 0.14 -0.05 0.00 0.00 0.00 0.00 17.79 18.57 2kpo h ALA 89 CO 0.04 -0.34 0.37 0.87 0.00 0.00 0.00 179.25 180.18 2kpo h LYS 90 N 0.18 0.66 0.15 0.00 1.57 -1.42 -1.54 116.57 116.17 2kpo h LYS 90 Ca 0.21 -0.04 -0.01 0.00 -1.87 0.00 0.00 60.65 58.94 2kpo h LYS 90 Cb 0.27 -0.15 0.00 0.00 0.08 0.00 0.00 32.23 32.43 2kpo h LYS 90 CO -0.29 0.44 -0.07 -0.09 -0.57 0.00 0.00 179.45 178.86 2kpo h ARG 91 N 0.68 -0.19 -0.35 3.15 2.43 -0.37 -2.89 114.38 116.83 2kpo h ARG 91 Ca 0.29 0.01 0.04 0.00 -0.81 0.00 0.00 59.98 59.52 2kpo h ARG 91 Cb 0.17 0.04 -0.02 0.00 -0.42 0.00 0.00 29.97 29.75 2kpo h ARG 91 CO -0.18 0.07 0.24 -1.49 -1.51 0.00 0.00 179.97 177.10 2kpo h TRP 92 N -0.45 0.30 -0.56 2.20 4.06 -0.55 0.18 115.95 121.13 2kpo h TRP 92 Ca -0.02 0.01 -0.04 0.00 2.06 0.00 0.00 58.89 60.89 2kpo h TRP 92 Cb 0.35 -0.10 -0.02 0.00 -1.00 0.00 0.00 29.16 28.39 2kpo h TRP 92 CO 0.01 0.17 0.17 0.82 -3.56 0.00 0.00 178.44 176.05 2kpo h ILE 93 N 0.31 1.24 -0.08 1.49 2.04 -1.27 -1.46 117.51 119.77 2kpo h ILE 93 Ca 0.15 -0.80 -0.00 0.00 1.00 0.00 0.00 64.86 65.20 2kpo h ILE 93 Cb 0.21 0.70 -0.00 0.00 -0.74 0.00 0.00 36.82 36.99 2kpo h ILE 93 CO -0.03 0.30 0.04 0.50 0.00 0.00 0.00 178.15 178.96 2kpo h LYS 94 N 0.78 0.12 -0.55 2.37 3.64 -0.62 -0.94 116.57 121.37 2kpo h LYS 94 Ca 0.18 -0.02 0.11 0.00 -1.27 0.00 0.00 60.65 59.65 2kpo h LYS 94 Cb 0.28 -0.02 -0.10 0.00 -0.41 0.00 0.00 32.23 31.98 2kpo h LYS 94 CO -0.01 0.20 -0.06 0.93 -2.27 0.00 0.00 179.45 178.24 2kpo h GLU 95 N 0.01 0.06 -0.40 1.90 4.39 -0.65 0.19 114.58 120.08 2kpo h GLU 95 Ca 0.03 -0.00 -0.10 0.00 0.34 0.00 0.00 59.36 59.63 2kpo h GLU 95 Cb 0.12 -0.01 -0.02 0.00 -0.10 0.00 0.00 28.75 28.74 2kpo h GLU 95 CO -0.00 0.04 -0.15 0.35 -1.16 0.00 0.00 179.01 178.09 2kpo h PHE 96 N 0.06 0.80 -0.20 4.33 3.04 -1.20 -2.30 116.94 121.47 2kpo h PHE 96 Ca 0.27 -0.15 -0.13 0.00 3.98 0.00 0.00 57.97 61.94 2kpo h PHE 96 Cb 0.43 -0.20 -0.01 0.00 2.56 0.00 0.00 35.95 38.72 2kpo h PHE 96 CO -0.39 0.83 -0.42 1.03 -2.02 0.00 0.00 178.31 177.34 2kpo h SER 97 N 0.65 0.50 1.27 0.41 0.87 0.25 -3.24 113.55 114.26 2kpo h SER 97 Ca 0.11 -0.22 0.00 0.00 -1.23 0.00 0.00 61.79 60.44 2kpo h SER 97 Cb 0.62 -0.14 0.00 0.00 -0.44 0.00 0.00 62.40 62.44 2kpo h SER 97 CO 0.04 0.86 -0.67 1.05 -0.53 0.00 0.00 176.83 177.58 2kpo h GLU 98 N 0.38 0.00 -0.18 2.24 4.11 -0.60 -3.31 114.58 117.23 2kpo h GLU 98 Ca 0.03 0.00 -0.10 0.00 0.07 0.00 0.00 59.36 59.36 2kpo h GLU 98 Cb 0.90 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.13 2kpo h GLU 98 CO 0.08 0.00 -0.32 1.05 0.07 0.00 0.00 179.01 179.88 2kpo h GLU 99 N 0.00 0.36 0.00 1.06 4.11 -1.44 -3.47 114.58 115.21 2kpo h GLU 99 Ca 0.00 -0.15 0.00 0.00 0.07 0.00 0.00 59.36 59.28 2kpo h GLU 99 Cb 0.97 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 30.21 2kpo h GLU 99 CO 0.00 0.65 0.00 0.41 0.07 0.00 0.00 179.01 180.14 2kpo n GLY 100 N -0.31 1.33 2.68 1.06 0.00 -1.25 -4.16 105.19 104.54 2kpo n GLY 100 Ca -0.01 -0.02 -0.03 0.00 0.00 0.00 0.00 46.02 45.96 2kpo n GLY 100 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2kpo s GLY 101 N 0.00 -1.88 0.26 -0.02 0.00 -1.26 -5.07 107.32 99.35 2kpo s GLY 101 Ca 0.00 0.56 -0.31 0.00 0.00 0.00 0.00 44.72 44.98 2kpo s GLY 101 CO 0.00 4.28 1.62 -1.35 0.00 0.00 0.00 173.10 177.65 2kpo s SER 102 N 1.01 6.40 -0.08 1.64 1.04 -1.26 -4.94 113.70 117.51 2kpo s SER 102 Ca 0.23 2.90 -0.19 0.00 0.48 0.00 0.00 55.95 59.38 2kpo s SER 102 Cb 0.12 -2.62 -0.29 0.00 0.10 0.00 0.00 66.02 63.33 2kpo s SER 102 CO -0.11 -0.92 0.70 -0.07 0.98 0.00 0.00 173.24 173.83 2kpo h LEU 103 N 5.51 0.41-10.23 2.42 3.38 -2.01 -3.47 115.31 111.33 2kpo h LEU 103 Ca -0.46 -0.89 -0.46 0.00 0.09 0.00 0.00 57.88 56.17 2kpo h LEU 103 Cb 1.21 -0.13 -0.00 0.00 0.09 0.00 0.00 40.66 41.83 2kpo h LEU 103 CO 0.85 1.51 -0.36 -1.61 0.09 0.00 0.00 178.44 178.92 2kpo s GLU 104 N -2.45 3.38 -0.26 1.13 2.02 -1.26 -5.01 118.70 116.24 2kpo s GLU 104 Ca -0.17 -0.73 0.13 0.00 0.02 0.00 0.00 54.97 54.22 2kpo s GLU 104 Cb 0.03 -2.83 0.68 0.00 0.10 0.00 0.00 34.13 32.11 2kpo s GLU 104 CO 0.79 0.30 1.65 -2.39 0.02 0.00 0.00 175.26 175.63 2kpo n HIS 105 N -1.53 1.81 -1.88 1.61 1.44 -1.26 -4.85 115.22 110.55 2kpo n HIS 105 Ca -0.06 -1.05 -0.35 0.00 -2.01 0.00 0.00 57.72 54.25 2kpo n HIS 105 Cb 0.57 -0.52 -0.05 0.00 0.12 0.00 0.00 29.99 30.11 2kpo n HIS 105 CO 0.00 0.00 0.00 0.72 -2.81 0.00 0.00 176.34 174.25 2kpo n HIS 106 N -0.19 2.82 -2.74 -1.40 8.25 -1.26 -4.57 115.22 116.13 2kpo n HIS 106 Ca 0.32 -1.83 -0.04 0.00 -0.26 0.00 0.00 57.72 55.91 2kpo n HIS 106 Cb 1.17 -2.38 0.02 0.00 1.12 0.00 0.00 29.99 29.92 2kpo n HIS 106 CO 0.00 0.00 0.00 -1.58 0.64 0.00 0.00 176.34 175.40 2kpo s HIS 107 N 8.07 -1.25 -0.51 4.41 2.46 -1.26 -5.12 115.29 122.09 2kpo s HIS 107 Ca 0.62 -0.42 -0.07 0.00 0.47 0.00 0.00 55.06 55.66 2kpo s HIS 107 Cb 0.05 0.25 0.13 0.00 -0.13 0.00 0.00 32.58 32.88 2kpo s HIS 107 CO 0.11 -0.98 0.36 -1.01 -2.47 0.00 0.00 174.74 170.75 2kpo s HIS 108 N 0.92 3.49 -1.20 3.88 3.76 -1.26 -5.01 115.29 119.87 2kpo s HIS 108 Ca 0.28 -2.15 -0.20 0.00 -0.15 0.00 0.00 55.06 52.84 2kpo s HIS 108 Cb 0.04 -3.41 0.06 0.00 1.11 0.00 0.00 32.58 30.37 2kpo s HIS 108 CO -0.07 -0.96 1.66 -1.58 -0.85 0.00 0.00 174.74 172.93 2kpo s HIS 109 N 0.97 2.65 0.00 1.40 2.46 -1.26 -5.33 115.29 116.19 2kpo s HIS 109 Ca 0.09 -1.25 0.00 0.00 0.47 0.00 0.00 55.06 54.37 2kpo s HIS 109 Cb -0.23 -4.70 0.00 0.00 -0.13 0.00 0.00 32.58 27.52 2kpo s HIS 109 CO -0.03 -1.83 0.00 1.58 -2.47 0.00 0.00 174.74 171.99