#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 4.32 -0.18 -0.89 1.02 0.54 -5.01 118.68 118.48 2kpo s LEU 2 Ca 0.00 0.77 -0.01 0.00 0.02 0.00 0.00 54.13 54.91 2kpo s LEU 2 Cb 0.00 -2.57 0.05 0.00 0.02 0.00 0.00 46.19 43.68 2kpo s LEU 2 CO 0.00 0.12 -0.04 -0.76 0.02 0.00 0.00 176.35 175.68 2kpo s LEU 3 N 0.11 1.69 0.08 1.79 1.43 -1.26 -0.58 118.68 121.94 2kpo s LEU 3 Ca 0.23 -0.73 0.08 0.00 -1.03 0.00 0.00 54.13 52.67 2kpo s LEU 3 Cb -0.15 -0.92 -0.03 0.00 0.03 0.00 0.00 46.19 45.12 2kpo s LEU 3 CO 0.09 -0.20 -0.21 -0.31 0.23 0.00 0.00 176.35 175.95 2kpo s TYR 4 N 1.62 1.81 -0.10 0.29 1.51 -0.69 -3.43 117.35 118.37 2kpo s TYR 4 Ca -0.00 -0.40 0.01 0.00 -1.01 0.00 0.00 57.07 55.67 2kpo s TYR 4 Cb -0.16 -1.03 0.02 0.00 -0.11 0.00 0.00 41.96 40.68 2kpo s TYR 4 CO -0.07 0.16 -0.12 0.08 -1.11 0.00 0.00 175.55 174.49 2kpo s VAL 5 N -1.01 1.27 -0.12 0.71 1.01 0.41 -0.69 120.40 121.98 2kpo s VAL 5 Ca 0.07 -0.51 -0.03 0.00 0.00 0.00 0.00 61.98 61.52 2kpo s VAL 5 Cb -0.10 -1.19 -0.03 0.00 0.00 0.00 0.00 36.38 35.06 2kpo s VAL 5 CO 0.03 0.40 -0.01 -0.76 0.00 0.00 0.00 175.10 174.76 2kpo s LEU 6 N 1.08 3.45 -0.11 3.92 1.43 0.93 -0.80 118.68 128.58 2kpo s LEU 6 Ca -0.06 0.02 0.03 0.00 -1.03 0.00 0.00 54.13 53.09 2kpo s LEU 6 Cb -0.15 -1.81 0.01 0.00 0.03 0.00 0.00 46.19 44.27 2kpo s LEU 6 CO -0.02 0.28 -0.21 -0.51 0.23 0.00 0.00 176.35 176.12 2kpo s ILE 7 N -0.28 1.86 -0.29 -0.59 2.07 -0.63 -0.79 121.20 122.54 2kpo s ILE 7 Ca 0.06 -0.88 0.03 0.00 -1.41 0.00 0.00 60.65 58.45 2kpo s ILE 7 Cb -0.12 -1.64 0.08 0.00 0.13 0.00 0.00 42.46 40.90 2kpo s ILE 7 CO 0.02 0.51 -0.03 -0.63 -1.91 0.00 0.00 174.94 172.90 2kpo s ILE 8 N 0.63 2.17 0.19 2.00 1.01 0.82 -0.70 121.20 127.32 2kpo s ILE 8 Ca -0.13 -1.93 -0.23 0.00 0.00 0.00 0.00 60.65 58.37 2kpo s ILE 8 Cb -0.16 -2.43 0.06 0.00 0.01 0.00 0.00 42.46 39.94 2kpo s ILE 8 CO 0.03 -0.30 0.63 -0.55 0.00 0.00 0.00 174.94 174.76 2kpo s SER 9 N 1.03 -0.49 -0.00 3.58 0.15 -1.26 -2.14 113.70 114.58 2kpo s SER 9 Ca 0.00 -0.15 0.16 0.00 0.70 0.00 0.00 55.95 56.67 2kpo s SER 9 Cb -0.19 0.63 -0.18 0.00 -1.71 0.00 0.00 66.02 64.56 2kpo s SER 9 CO -0.07 -1.06 0.67 -3.20 1.20 0.00 0.00 173.24 170.78 2kpo n ASN 10 N -0.40 0.70 -4.62 5.45 4.05 -1.26 -4.89 115.26 114.30 2kpo n ASN 10 Ca -0.14 0.31 -0.42 0.00 0.45 0.00 0.00 54.58 54.78 2kpo n ASN 10 Cb 0.64 0.34 -0.04 0.00 1.23 0.00 0.00 39.78 41.95 2kpo n ASN 10 CO 0.00 0.00 0.00 -1.81 -3.05 0.00 0.00 177.26 172.40 2kpo s ASP 11 N -5.72 6.73 0.46 1.20 1.01 -1.26 -4.92 116.67 114.17 2kpo s ASP 11 Ca -0.05 0.72 0.22 0.00 0.71 0.00 0.00 52.55 54.16 2kpo s ASP 11 Cb 0.08 -2.46 1.12 0.00 1.01 0.00 0.00 42.92 42.68 2kpo s ASP 11 CO 0.82 -0.75 1.95 0.11 0.21 0.00 0.00 175.17 177.52 2kpo h LYS 12 N 8.22 0.00 -0.56 8.23 6.56 -1.99 -1.86 116.57 135.17 2kpo h LYS 12 Ca -0.23 0.00 0.05 0.00 -1.06 0.00 0.00 60.65 59.41 2kpo h LYS 12 Cb 1.08 0.00 -0.05 0.00 -0.57 0.00 0.00 32.23 32.69 2kpo h LYS 12 CO 0.95 0.21 0.28 0.87 -2.06 0.00 0.00 179.45 179.71 2kpo h LYS 13 N 0.00 0.53 -0.09 3.15 6.56 -2.00 0.02 116.57 124.73 2kpo h LYS 13 Ca -0.00 -0.03 -0.19 0.00 -1.06 0.00 0.00 60.65 59.37 2kpo h LYS 13 Cb 0.50 -0.12 -0.00 0.00 -0.57 0.00 0.00 32.23 32.04 2kpo h LYS 13 CO 0.03 0.35 -0.73 1.25 -2.06 0.00 0.00 179.45 178.28 2kpo h LEU 14 N 0.54 0.57 0.35 2.94 6.46 -1.78 -3.03 115.31 121.36 2kpo h LEU 14 Ca 0.25 -0.37 -0.02 0.00 -0.12 0.00 0.00 57.88 57.62 2kpo h LEU 14 Cb 0.17 -0.17 0.00 0.00 -0.73 0.00 0.00 40.66 39.93 2kpo h LEU 14 CO -0.18 1.12 -0.17 0.40 -0.62 0.00 0.00 178.44 179.00 2kpo h ILE 15 N 0.33 0.65 -0.47 4.05 2.04 -0.96 -2.18 117.51 120.97 2kpo h ILE 15 Ca -0.03 -0.45 -0.04 0.00 1.00 0.00 0.00 64.86 65.34 2kpo h ILE 15 Cb 1.32 0.88 -0.02 0.00 -0.74 0.00 0.00 36.82 38.25 2kpo h ILE 15 CO 0.13 0.09 0.16 -0.33 0.00 0.00 0.00 178.15 178.19 2kpo h GLU 16 N -0.73 0.72 -0.88 2.37 4.39 -1.11 -1.01 114.58 118.33 2kpo h GLU 16 Ca -0.05 -0.15 0.02 0.00 0.34 0.00 0.00 59.36 59.53 2kpo h GLU 16 Cb 0.50 -0.11 -0.05 0.00 -0.10 0.00 0.00 28.75 28.99 2kpo h GLU 16 CO 0.08 0.68 0.58 0.93 -1.16 0.00 0.00 179.01 180.12 2kpo h GLU 17 N 0.62 1.11 -0.43 2.33 4.39 -1.61 -0.92 114.58 120.07 2kpo h GLU 17 Ca 0.15 -0.07 -0.02 0.00 0.34 0.00 0.00 59.36 59.77 2kpo h GLU 17 Cb 0.25 -0.25 -0.02 0.00 -0.10 0.00 0.00 28.75 28.63 2kpo h GLU 17 CO -0.01 0.73 0.21 0.00 -1.16 0.00 0.00 179.01 178.79 2kpo h ALA 18 N 1.47 0.56 -0.40 3.43 0.00 -0.92 -2.15 119.26 121.25 2kpo h ALA 18 Ca 0.34 -0.11 0.07 0.00 0.00 0.00 0.00 54.91 55.21 2kpo h ALA 18 Cb -0.04 -0.17 -0.06 0.00 0.00 0.00 0.00 17.79 17.51 2kpo h ALA 18 CO -0.09 0.12 -0.00 0.00 0.00 0.00 0.00 179.25 179.28 2kpo h ARG 19 N 0.56 0.10 -0.34 0.00 3.08 -0.43 0.34 114.38 117.69 2kpo h ARG 19 Ca 0.15 -0.01 0.06 0.00 0.07 0.00 0.00 59.98 60.25 2kpo h ARG 19 Cb 0.12 -0.02 -0.06 0.00 0.08 0.00 0.00 29.97 30.09 2kpo h ARG 19 CO -0.02 0.07 -0.02 0.87 -1.07 0.00 0.00 179.97 179.80 2kpo h LYS 20 N 0.10 0.07 -0.09 0.04 1.57 -0.96 -2.32 116.57 114.98 2kpo h LYS 20 Ca 0.20 -0.00 -0.11 0.00 -1.87 0.00 0.00 60.65 58.86 2kpo h LYS 20 Cb 0.28 -0.02 -0.01 0.00 0.08 0.00 0.00 32.23 32.56 2kpo h LYS 20 CO -0.33 0.05 -0.44 0.52 -0.57 0.00 0.00 179.45 178.68 2kpo h MET 21 N 0.08 0.22 -0.73 3.15 2.86 -0.98 -2.04 114.93 117.48 2kpo h MET 21 Ca 0.16 -0.11 0.08 0.00 -2.06 0.00 0.00 59.70 57.77 2kpo h MET 21 Cb 0.23 0.00 -0.06 0.00 0.06 0.00 0.00 31.60 31.83 2kpo h MET 21 CO -0.29 0.62 0.40 0.00 1.06 0.00 0.00 176.91 178.70 2kpo h ALA 22 N 1.37 1.00 -0.55 6.32 0.00 -0.42 0.18 119.26 127.16 2kpo h ALA 22 Ca 0.01 0.03 -0.09 0.00 0.00 0.00 0.00 54.91 54.86 2kpo h ALA 22 Cb 0.85 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.51 2kpo h ALA 22 CO 0.07 0.05 -0.02 0.93 0.00 0.00 0.00 179.25 180.28 2kpo h GLU 23 N 0.70 0.99 0.00 0.00 5.08 -1.10 0.14 114.58 120.39 2kpo h GLU 23 Ca 0.34 -0.32 -0.04 0.00 -1.00 0.00 0.00 59.36 58.34 2kpo h GLU 23 Cb 0.28 -0.09 -0.01 0.00 0.50 0.00 0.00 28.75 29.44 2kpo h GLU 23 CO -0.22 1.00 -0.18 0.87 -1.00 0.00 0.00 179.01 179.47 2kpo h LYS 24 N 0.87 0.00 -0.02 2.33 1.79 -0.61 -2.16 116.57 118.77 2kpo h LYS 24 Ca 0.16 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.63 2kpo h LYS 24 Cb 0.56 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.21 2kpo h LYS 24 CO 0.03 0.18 -0.25 0.00 -1.08 0.00 0.00 179.45 178.34 2kpo n ALA 25 N -2.38 3.06 -2.63 3.86 0.00 0.57 -4.97 120.51 118.02 2kpo n ALA 25 Ca -0.02 -0.56 -0.17 0.00 0.00 0.00 0.00 53.44 52.69 2kpo n ALA 25 Cb 0.27 -0.94 0.01 0.00 0.00 0.00 0.00 19.45 18.79 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 0.13 -4.98 -4.57 0.00 3.02 -0.39 -4.97 115.26 103.50 2kpo n ASN 26 Ca 0.12 -0.14 -0.26 0.00 -0.03 0.00 0.00 54.58 54.28 2kpo n ASN 26 Cb 0.45 -3.94 -0.09 0.00 -0.61 0.00 0.00 39.78 35.59 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 -5.01 2.98 -0.24 3.41 1.43 0.35 -5.02 118.68 116.59 2kpo s LEU 27 Ca 0.14 -0.62 -0.22 0.00 -1.03 0.00 0.00 54.13 52.41 2kpo s LEU 27 Cb -0.06 -1.63 -0.02 0.00 0.03 0.00 0.00 46.19 44.51 2kpo s LEU 27 CO 0.17 0.08 0.69 -1.61 0.23 0.00 0.00 176.35 175.92 2kpo s GLU 28 N -3.00 4.16 -0.08 1.70 8.01 -1.22 -4.30 118.70 123.97 2kpo s GLU 28 Ca 0.26 0.68 0.00 0.00 0.01 0.00 0.00 54.97 55.93 2kpo s GLU 28 Cb -0.08 -3.63 -0.03 0.00 -4.31 0.00 0.00 34.13 26.08 2kpo s GLU 28 CO 0.16 -0.40 -0.07 -1.17 0.01 0.00 0.00 175.26 173.79 2kpo s LEU 29 N 2.45 3.15 -0.01 1.80 0.20 -1.26 -0.45 118.68 124.57 2kpo s LEU 29 Ca 0.29 -0.05 0.02 0.00 0.69 0.00 0.00 54.13 55.09 2kpo s LEU 29 Cb -0.16 -1.69 -0.00 0.00 -0.43 0.00 0.00 46.19 43.91 2kpo s LEU 29 CO 0.09 0.34 -0.06 -0.13 -0.29 0.00 0.00 176.35 176.29 2kpo s ARG 30 N -0.65 0.54 0.18 1.98 1.81 0.02 -4.97 118.95 117.85 2kpo s ARG 30 Ca 0.10 -0.21 -0.15 0.00 -1.72 0.00 0.00 55.73 53.74 2kpo s ARG 30 Cb -0.11 -0.53 -0.07 0.00 -0.45 0.00 0.00 34.95 33.78 2kpo s ARG 30 CO 0.02 0.11 0.60 0.95 -0.68 0.00 0.00 175.30 176.30 2kpo s THR 31 N -0.04 4.79 -0.02 0.02 -4.23 -1.26 -1.61 115.64 113.28 2kpo s THR 31 Ca 0.01 0.91 0.01 0.00 -1.18 0.00 0.00 61.69 61.45 2kpo s THR 31 Cb -0.04 -3.75 0.01 0.00 1.34 0.00 0.00 72.50 70.06 2kpo s THR 31 CO -0.00 0.19 -0.05 -0.69 -0.54 0.00 0.00 174.62 173.53 2kpo s VAL 32 N -1.53 0.45 -0.09 2.29 1.01 0.13 -4.89 120.40 117.77 2kpo s VAL 32 Ca 0.40 -0.17 0.01 0.00 0.00 0.00 0.00 61.98 62.22 2kpo s VAL 32 Cb -0.15 -0.43 -0.06 0.00 0.00 0.00 0.00 36.38 35.74 2kpo s VAL 32 CO 0.20 0.16 -0.08 0.29 0.00 0.00 0.00 175.10 175.67 2kpo n LYS 33 N 3.41 0.26 -4.37 2.72 5.02 -1.26 -4.11 118.16 119.84 2kpo n LYS 33 Ca -0.19 0.05 -0.25 0.00 -2.02 0.00 0.00 58.31 55.90 2kpo n LYS 33 Cb 0.55 -1.18 -0.09 0.00 -0.02 0.00 0.00 35.03 34.29 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 -2.18 2.43 0.15 -0.18 -4.23 -1.26 -5.00 115.64 105.37 2kpo s THR 34 Ca -0.12 -1.96 -0.18 0.00 -1.18 0.00 0.00 61.69 58.25 2kpo s THR 34 Cb 0.03 -2.84 0.05 0.00 1.34 0.00 0.00 72.50 71.08 2kpo s THR 34 CO 0.21 -0.14 1.68 -0.08 -0.54 0.00 0.00 174.62 175.75 2kpo h GLU 35 N 1.76 -0.02 -0.71 3.99 4.81 -2.00 -2.52 114.58 119.90 2kpo h GLU 35 Ca -0.43 0.00 0.03 0.00 -0.13 0.00 0.00 59.36 58.83 2kpo h GLU 35 Cb 1.25 0.00 -0.04 0.00 0.63 0.00 0.00 28.75 30.59 2kpo h GLU 35 CO 0.70 -0.01 0.44 0.22 -0.73 0.00 0.00 179.01 179.63 2kpo h ASP 36 N -0.02 0.72 -0.42 1.04 1.82 -1.99 -1.49 116.42 116.08 2kpo h ASP 36 Ca 0.16 0.00 0.01 0.00 -0.39 0.00 0.00 57.03 56.80 2kpo h ASP 36 Cb 0.26 -0.15 -0.02 0.00 0.68 0.00 0.00 39.33 40.09 2kpo h ASP 36 CO -0.34 0.50 0.27 -0.33 -1.61 0.00 0.00 179.24 177.73 2kpo h GLU 37 N 0.86 0.54 -0.38 0.28 5.08 -1.94 0.13 114.58 119.15 2kpo h GLU 37 Ca 0.29 -0.03 0.07 0.00 -1.00 0.00 0.00 59.36 58.69 2kpo h GLU 37 Cb 0.03 -0.12 -0.07 0.00 0.50 0.00 0.00 28.75 29.09 2kpo h GLU 37 CO -0.11 0.35 -0.05 1.25 -1.00 0.00 0.00 179.01 179.45 2kpo h LEU 38 N 0.55 -0.27 -1.12 1.33 7.12 -0.94 -1.05 115.31 120.95 2kpo h LEU 38 Ca 0.15 0.10 0.01 0.00 0.13 0.00 0.00 57.88 58.28 2kpo h LEU 38 Cb -0.05 0.20 -0.04 0.00 -0.53 0.00 0.00 40.66 40.23 2kpo h LEU 38 CO -0.04 -0.09 0.60 0.50 -0.13 0.00 0.00 178.44 179.28 2kpo h LYS 39 N 0.04 1.19 -0.45 1.25 3.64 -0.91 -1.82 116.57 119.51 2kpo h LYS 39 Ca 0.18 -0.07 0.07 0.00 -1.27 0.00 0.00 60.65 59.56 2kpo h LYS 39 Cb 0.27 -0.27 -0.06 0.00 -0.41 0.00 0.00 32.23 31.76 2kpo h LYS 39 CO -0.35 0.79 0.11 -0.22 -2.27 0.00 0.00 179.45 177.50 2kpo h LYS 40 N 1.22 0.24 -0.49 1.90 3.11 0.31 0.42 116.57 123.29 2kpo h LYS 40 Ca 0.33 -0.01 -0.11 0.00 -2.81 0.00 0.00 60.65 58.05 2kpo h LYS 40 Cb -0.14 -0.05 -0.02 0.00 -1.00 0.00 0.00 32.23 31.02 2kpo h LYS 40 CO -0.07 0.16 -0.12 1.88 -2.81 0.00 0.00 179.45 178.49 2kpo h TYR 41 N 0.25 1.07 -0.74 1.91 0.05 -1.09 -2.11 116.97 116.30 2kpo h TYR 41 Ca 0.22 -0.23 0.07 0.00 0.05 0.00 0.00 58.73 58.84 2kpo h TYR 41 Cb 0.27 -0.26 -0.06 0.00 1.01 0.00 0.00 36.73 37.69 2kpo h TYR 41 CO -0.20 1.03 0.43 -0.07 -1.05 0.00 0.00 178.16 178.29 2kpo h LEU 42 N 0.81 0.64 -0.78 3.88 3.38 -0.65 0.26 115.31 122.85 2kpo h LEU 42 Ca 0.12 0.03 -0.02 0.00 0.09 0.00 0.00 57.88 58.10 2kpo h LEU 42 Cb 0.68 -0.10 -0.04 0.00 0.09 0.00 0.00 40.66 41.30 2kpo h LEU 42 CO 0.05 0.40 0.41 -0.33 0.09 0.00 0.00 178.44 179.06 2kpo h GLU 43 N 0.77 1.10 0.00 1.13 4.39 -0.80 0.19 114.58 121.36 2kpo h GLU 43 Ca 0.34 -0.14 -0.02 0.00 0.34 0.00 0.00 59.36 59.87 2kpo h GLU 43 Cb 0.22 -0.21 -0.00 0.00 -0.10 0.00 0.00 28.75 28.66 2kpo h GLU 43 CO -0.19 0.83 -0.09 1.49 -1.16 0.00 0.00 179.01 179.89 2kpo h GLU 44 N 1.09 0.00 0.05 2.33 4.81 -0.52 -3.08 114.58 119.26 2kpo h GLU 44 Ca 0.27 0.00 -0.32 0.00 -0.13 0.00 0.00 59.36 59.18 2kpo h GLU 44 Cb 0.07 0.00 -0.04 0.00 0.63 0.00 0.00 28.75 29.41 2kpo h GLU 44 CO -0.04 0.09 -1.85 1.19 -0.73 0.00 0.00 179.01 177.67 2kpo n PHE 45 N -3.31 1.04 -0.03 0.92 0.99 0.81 -4.32 117.46 113.56 2kpo n PHE 45 Ca -0.01 0.31 0.15 0.00 -0.00 0.00 0.00 57.45 57.90 2kpo n PHE 45 Cb 0.29 -1.17 0.58 0.00 -1.00 0.00 0.00 39.48 38.19 2kpo n PHE 45 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.76 176.76 2kpo h ARG 46 N 0.03 0.21 -0.59 -1.08 3.08 -0.55 0.18 114.38 115.66 2kpo h ARG 46 Ca -0.35 -0.01 0.02 0.00 0.07 0.00 0.00 59.98 59.71 2kpo h ARG 46 Cb 2.03 -0.05 -0.03 0.00 0.08 0.00 0.00 29.97 32.00 2kpo h ARG 46 CO 0.08 0.14 0.39 1.57 -1.07 0.00 0.00 179.97 181.08 2kpo h LYS 47 N 0.22 0.72 -0.56 0.04 2.10 -1.75 -2.13 116.57 115.20 2kpo h LYS 47 Ca 0.25 -0.04 0.00 0.00 -2.00 0.00 0.00 60.65 58.86 2kpo h LYS 47 Cb 0.69 -0.16 0.00 0.00 -0.90 0.00 0.00 32.23 31.86 2kpo h LYS 47 CO -0.05 0.47 0.00 0.39 -2.00 0.00 0.00 179.45 178.27 2kpo n GLU 48 N -4.46 4.27 0.02 0.07 -0.58 0.56 -4.61 120.64 115.90 2kpo n GLU 48 Ca 0.07 -3.02 0.01 0.00 -0.42 0.00 0.00 57.16 53.80 2kpo n GLU 48 Cb 0.10 -2.08 0.07 0.00 -0.57 0.00 0.00 31.44 28.95 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 0.67 0.06 0.09 1.62 2.88 -0.80 -2.19 113.62 115.94 2kpo n SER 49 Ca 0.26 0.48 -0.03 0.00 -1.33 0.00 0.00 58.87 58.26 2kpo n SER 49 Cb 1.05 -0.49 0.19 0.00 -0.75 0.00 0.00 64.21 64.21 2kpo n SER 49 CO 0.00 0.00 0.00 1.56 -1.23 0.00 0.00 175.04 175.37 2kpo h GLN 50 N 0.00 0.26 0.00 -1.46 4.20 -1.84 -3.37 115.11 112.90 2kpo h GLN 50 Ca 0.00 -0.13 -0.16 0.00 0.06 0.00 0.00 58.65 58.41 2kpo h GLN 50 Cb 0.10 0.00 -0.33 0.00 0.30 0.00 0.00 27.48 27.56 2kpo h GLN 50 CO 0.00 0.67 -0.87 0.09 -0.67 0.00 0.00 178.83 178.05 2kpo n ASN 51 N -3.99 0.57 -4.75 1.46 3.02 -0.93 -5.11 115.26 105.54 2kpo n ASN 51 Ca -0.02 -1.99 -0.35 0.00 -0.03 0.00 0.00 54.58 52.19 2kpo n ASN 51 Cb 0.52 -0.18 -0.08 0.00 -0.61 0.00 0.00 39.78 39.43 2kpo n ASN 51 CO 0.00 0.00 0.00 -0.51 -2.62 0.00 0.00 177.26 174.13 2kpo s ILE 52 N 0.00 4.64 -0.11 2.41 2.07 -1.12 -0.34 121.20 128.75 2kpo s ILE 52 Ca 0.26 -0.24 0.00 0.00 -1.41 0.00 0.00 60.65 59.27 2kpo s ILE 52 Cb 0.30 -3.02 0.02 0.00 0.13 0.00 0.00 42.46 39.89 2kpo s ILE 52 CO -0.13 0.52 -0.10 -0.54 -1.91 0.00 0.00 174.94 172.77 2kpo s LYS 53 N -1.20 1.75 -0.11 3.50 1.02 0.26 -4.63 119.74 120.32 2kpo s LYS 53 Ca 0.17 -0.36 0.00 0.00 0.02 0.00 0.00 55.97 55.80 2kpo s LYS 53 Cb -0.12 -1.65 -0.02 0.00 -0.52 0.00 0.00 37.83 35.53 2kpo s LYS 53 CO 0.06 -0.18 -0.13 0.08 -0.92 0.00 0.00 175.35 174.27 2kpo s VAL 54 N 1.37 3.10 -0.15 3.17 1.01 -0.54 -1.71 120.40 126.65 2kpo s VAL 54 Ca -0.01 -0.66 -0.06 0.00 0.00 0.00 0.00 61.98 61.26 2kpo s VAL 54 Cb -0.14 -2.28 -0.04 0.00 0.00 0.00 0.00 36.38 33.92 2kpo s VAL 54 CO -0.05 0.54 0.05 -0.22 0.00 0.00 0.00 175.10 175.41 2kpo s LEU 55 N 0.12 3.79 -0.12 3.92 2.96 0.13 -0.43 118.68 129.05 2kpo s LEU 55 Ca -0.06 0.12 0.01 0.00 -0.22 0.00 0.00 54.13 53.98 2kpo s LEU 55 Cb -0.15 -1.93 0.02 0.00 0.50 0.00 0.00 46.19 44.63 2kpo s LEU 55 CO 0.05 0.25 -0.12 -0.63 -1.32 0.00 0.00 176.35 174.57 2kpo s ILE 56 N -0.07 1.31 -0.16 6.68 1.01 -0.23 -0.05 121.20 129.69 2kpo s ILE 56 Ca 0.06 -0.49 -0.07 0.00 0.00 0.00 0.00 60.65 60.15 2kpo s ILE 56 Cb -0.12 -1.25 -0.04 0.00 0.01 0.00 0.00 42.46 41.06 2kpo s ILE 56 CO 0.01 0.41 0.06 -0.76 0.00 0.00 0.00 174.94 174.66 2kpo s LEU 57 N 1.39 3.82 0.19 2.97 2.01 0.03 -0.66 118.68 128.43 2kpo s LEU 57 Ca 0.01 0.12 0.07 0.00 0.01 0.00 0.00 54.13 54.34 2kpo s LEU 57 Cb -0.13 -1.95 -0.05 0.00 0.01 0.00 0.00 46.19 44.07 2kpo s LEU 57 CO -0.06 0.23 -0.14 0.68 1.01 0.00 0.00 176.35 178.06 2kpo s VAL 58 N 0.06 1.67 -0.01 -1.59 -7.23 -0.41 -0.13 120.40 112.77 2kpo s VAL 58 Ca 0.05 -2.16 -0.17 0.00 -1.81 0.00 0.00 61.98 57.90 2kpo s VAL 58 Cb -0.12 -1.99 -0.34 0.00 0.56 0.00 0.00 36.38 34.49 2kpo s VAL 58 CO 0.01 -0.59 0.92 0.77 -0.31 0.00 0.00 175.10 175.90 2kpo h SER 59 N 2.67 0.71 -4.16 4.85 4.64 -1.64 0.18 113.55 120.79 2kpo h SER 59 Ca -0.38 -0.93 -0.40 0.00 -0.47 0.00 0.00 61.79 59.61 2kpo h SER 59 Cb 1.22 -0.23 -0.14 0.00 -0.31 0.00 0.00 62.40 62.93 2kpo h SER 59 CO 0.61 1.63 -0.60 0.20 -0.87 0.00 0.00 176.83 177.80 2kpo s ASN 60 N -7.37 1.61 0.30 4.97 0.01 -1.26 -4.64 114.94 108.55 2kpo s ASN 60 Ca -0.11 -1.43 0.07 0.00 -0.71 0.00 0.00 52.86 50.68 2kpo s ASN 60 Cb 0.03 0.16 0.47 0.00 0.41 0.00 0.00 41.25 42.33 2kpo s ASN 60 CO 0.90 -0.74 1.70 0.44 -1.51 0.00 0.00 177.10 177.89 2kpo h ASP 61 N 2.26 0.21 -0.18 -1.22 3.32 -1.99 -0.81 116.42 118.02 2kpo h ASP 61 Ca -0.38 -0.09 -0.02 0.00 0.02 0.00 0.00 57.03 56.57 2kpo h ASP 61 Cb 1.25 -0.06 -0.01 0.00 0.22 0.00 0.00 39.33 40.73 2kpo h ASP 61 CO 0.61 0.62 0.05 -0.08 -1.72 0.00 0.00 179.24 178.72 2kpo h GLU 62 N 0.17 0.28 -0.89 3.56 4.81 -1.99 -1.06 114.58 119.46 2kpo h GLU 62 Ca 0.01 -0.06 0.02 0.00 -0.13 0.00 0.00 59.36 59.20 2kpo h GLU 62 Cb 0.82 -0.04 -0.05 0.00 0.63 0.00 0.00 28.75 30.12 2kpo h GLU 62 CO 0.06 0.40 0.59 0.93 -0.73 0.00 0.00 179.01 180.26 2kpo h GLU 63 N 0.12 1.13 0.10 1.92 4.39 -1.93 -1.50 114.58 118.81 2kpo h GLU 63 Ca 0.06 -0.07 0.02 0.00 0.34 0.00 0.00 59.36 59.71 2kpo h GLU 63 Cb 0.24 -0.25 -0.04 0.00 -0.10 0.00 0.00 28.75 28.60 2kpo h GLU 63 CO -0.00 0.75 -0.26 1.25 -1.16 0.00 0.00 179.01 179.59 2kpo h LEU 64 N 1.16 -0.74 -0.20 1.33 5.85 -0.81 -0.61 115.31 121.28 2kpo h LEU 64 Ca 0.34 0.09 0.02 0.00 0.84 0.00 0.00 57.88 59.17 2kpo h LEU 64 Cb -0.06 0.29 -0.02 0.00 0.37 0.00 0.00 40.66 41.24 2kpo h LEU 64 CO -0.09 -0.34 0.06 -0.78 -0.34 0.00 0.00 178.44 176.94 2kpo h ASP 65 N -0.45 0.05 -0.17 1.25 1.82 -0.84 -1.57 116.42 116.51 2kpo h ASP 65 Ca 0.04 0.02 0.03 0.00 -0.39 0.00 0.00 57.03 56.73 2kpo h ASP 65 Cb 0.49 0.02 -0.03 0.00 0.68 0.00 0.00 39.33 40.49 2kpo h ASP 65 CO -0.16 0.06 -0.04 0.11 -1.61 0.00 0.00 179.24 177.59 2kpo h LYS 66 N 0.15 -0.00 0.16 0.28 1.79 -1.11 0.42 116.57 118.25 2kpo h LYS 66 Ca 0.09 0.00 -0.00 0.00 -2.18 0.00 0.00 60.65 58.56 2kpo h LYS 66 Cb 0.07 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 30.71 2kpo h LYS 66 CO -0.10 -0.00 -0.12 0.00 -1.08 0.00 0.00 179.45 178.15 2kpo h ALA 67 N 1.17 -0.27 -0.35 3.86 0.00 -0.93 -2.11 119.26 120.63 2kpo h ALA 67 Ca 0.08 -0.05 -0.08 0.00 0.00 0.00 0.00 54.91 54.86 2kpo h ALA 67 Cb 0.12 0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.06 2kpo h ALA 67 CO -0.17 -0.66 -0.09 1.57 0.00 0.00 0.00 179.25 179.89 2kpo h LYS 68 N -0.28 0.69 -0.38 0.00 2.10 -1.17 -2.52 116.57 115.00 2kpo h LYS 68 Ca -0.01 -0.27 -0.00 0.00 -2.00 0.00 0.00 60.65 58.37 2kpo h LYS 68 Cb 0.25 -0.04 -0.02 0.00 -0.90 0.00 0.00 32.23 31.52 2kpo h LYS 68 CO -0.00 0.85 0.23 0.93 -2.00 0.00 0.00 179.45 179.46 2kpo h GLU 69 N 0.48 0.52 0.02 0.07 4.39 -0.90 -0.44 114.58 118.70 2kpo h GLU 69 Ca 0.09 -0.04 0.03 0.00 0.34 0.00 0.00 59.36 59.77 2kpo h GLU 69 Cb 0.60 -0.11 -0.04 0.00 -0.10 0.00 0.00 28.75 29.10 2kpo h GLU 69 CO 0.04 0.38 -0.22 -0.07 -1.16 0.00 0.00 179.01 177.97 2kpo h LEU 70 N 0.50 -0.66 -0.90 1.33 3.38 -1.37 -1.98 115.31 115.62 2kpo h LEU 70 Ca 0.14 0.09 0.07 0.00 0.09 0.00 0.00 57.88 58.27 2kpo h LEU 70 Cb -0.00 0.27 -0.07 0.00 0.09 0.00 0.00 40.66 40.95 2kpo h LEU 70 CO -0.03 -0.30 0.56 0.00 0.09 0.00 0.00 178.44 178.76 2kpo h ALA 71 N 0.49 1.25 -0.17 1.53 0.00 -1.14 0.13 119.26 121.35 2kpo h ALA 71 Ca 0.06 -0.00 0.03 0.00 0.00 0.00 0.00 54.91 54.99 2kpo h ALA 71 Cb 0.44 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 17.97 2kpo h ALA 71 CO -0.19 0.28 0.01 1.96 0.00 0.00 0.00 179.25 181.30 2kpo h GLN 72 N 0.99 0.07 0.00 0.00 4.20 -0.79 0.37 115.11 119.95 2kpo h GLN 72 Ca 0.40 -0.00 0.00 0.00 0.06 0.00 0.00 58.65 59.11 2kpo h GLN 72 Cb 0.23 -0.02 0.00 0.00 0.30 0.00 0.00 27.48 27.99 2kpo h GLN 72 CO -0.19 0.05 0.00 0.87 -0.67 0.00 0.00 178.83 178.88 2kpo h LYS 73 N 0.07 0.00 -0.09 1.46 1.57 -0.60 -1.24 116.57 117.74 2kpo h LYS 73 Ca 0.08 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.86 2kpo h LYS 73 Cb 0.09 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.40 2kpo h LYS 73 CO -0.13 0.00 0.00 -1.33 -0.57 0.00 0.00 179.45 177.42 2kpo n MET 74 N -2.37 1.99 -2.37 3.15 2.81 0.39 -4.97 117.12 115.74 2kpo n MET 74 Ca 0.03 -1.45 -0.18 0.00 -1.81 0.00 0.00 57.70 54.29 2kpo n MET 74 Cb 0.30 -1.46 -0.01 0.00 -0.71 0.00 0.00 33.22 31.34 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 0.73 -1.59 -4.39 0.03 1.02 0.01 -4.92 120.64 111.52 2kpo n GLU 75 Ca 0.17 0.85 -0.34 0.00 -0.02 0.00 0.00 57.16 57.82 2kpo n GLU 75 Cb 0.46 -5.34 -0.10 0.00 -0.02 0.00 0.00 31.44 26.44 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 -2.90 4.15 -0.59 -3.67 1.01 -0.54 -5.03 121.20 113.63 2kpo s ILE 76 Ca 0.02 -0.41 -0.28 0.00 0.00 0.00 0.00 60.65 59.99 2kpo s ILE 76 Cb -0.01 -2.77 0.01 0.00 0.01 0.00 0.00 42.46 39.71 2kpo s ILE 76 CO 0.02 0.53 1.44 -0.62 0.00 0.00 0.00 174.94 176.31 2kpo s ASP 77 N -1.09 6.06 0.13 3.58 2.15 -1.26 -4.53 116.67 121.71 2kpo s ASP 77 Ca 0.15 0.20 0.07 0.00 0.43 0.00 0.00 52.55 53.41 2kpo s ASP 77 Cb -0.11 -2.55 -0.04 0.00 -0.30 0.00 0.00 42.92 39.92 2kpo s ASP 77 CO 0.05 -1.78 -0.17 0.68 -0.17 0.00 0.00 175.17 173.78 2kpo s VAL 78 N 6.26 1.55 -0.31 1.11 -7.23 -1.26 -1.47 120.40 119.06 2kpo s VAL 78 Ca 0.51 -1.72 0.02 0.00 -1.81 0.00 0.00 61.98 58.99 2kpo s VAL 78 Cb -0.11 -1.60 0.09 0.00 0.56 0.00 0.00 36.38 35.32 2kpo s VAL 78 CO 0.23 -0.30 0.04 -0.13 -0.31 0.00 0.00 175.10 174.64 2kpo s ARG 79 N -2.49 1.30 -0.15 4.82 3.00 0.43 -4.96 118.95 120.90 2kpo s ARG 79 Ca 0.10 -1.47 -0.19 0.00 0.00 0.00 0.00 55.73 54.17 2kpo s ARG 79 Cb -0.07 -2.73 -0.04 0.00 0.00 0.00 0.00 34.95 32.12 2kpo s ARG 79 CO 0.04 -0.88 0.51 0.95 0.00 0.00 0.00 175.30 175.92 2kpo s THR 80 N 1.20 5.15 0.03 0.02 -4.23 -1.26 -1.07 115.64 115.48 2kpo s THR 80 Ca 0.07 0.98 0.02 0.00 -1.18 0.00 0.00 61.69 61.58 2kpo s THR 80 Cb -0.18 -3.84 -0.02 0.00 1.34 0.00 0.00 72.50 69.80 2kpo s THR 80 CO -0.13 0.26 -0.06 -0.13 -0.54 0.00 0.00 174.62 174.02 2kpo s ARG 81 N 1.07 0.46 -0.15 3.99 1.81 0.16 -4.97 118.95 121.32 2kpo s ARG 81 Ca 0.26 -0.56 -0.17 0.00 -1.72 0.00 0.00 55.73 53.54 2kpo s ARG 81 Cb -0.15 -0.28 -0.04 0.00 -0.45 0.00 0.00 34.95 34.02 2kpo s ARG 81 CO 0.10 0.06 0.43 0.21 -0.68 0.00 0.00 175.30 175.43 2kpo s LYS 82 N -1.10 4.27 -0.09 3.54 2.20 -1.26 -1.28 119.74 126.01 2kpo s LYS 82 Ca -0.07 0.33 0.03 0.00 -0.36 0.00 0.00 55.97 55.90 2kpo s LYS 82 Cb -0.07 -3.47 -0.01 0.00 -1.51 0.00 0.00 37.83 32.76 2kpo s LYS 82 CO 0.00 0.09 -0.17 0.14 -0.36 0.00 0.00 175.35 175.05 2kpo s VAL 83 N 0.87 2.74 -0.42 4.02 -7.23 0.63 -4.90 120.40 116.11 2kpo s VAL 83 Ca 0.23 -0.80 0.04 0.00 -1.81 0.00 0.00 61.98 59.64 2kpo s VAL 83 Cb -0.15 -2.09 0.00 0.00 0.56 0.00 0.00 36.38 34.70 2kpo s VAL 83 CO 0.09 0.55 0.45 0.35 -0.31 0.00 0.00 175.10 176.23 2kpo n THR 84 N 3.11 0.00 -3.97 5.32 -2.24 -1.26 -4.42 114.28 110.82 2kpo n THR 84 Ca -0.18 -0.46 -0.10 0.00 -2.27 0.00 0.00 64.05 61.04 2kpo n THR 84 Cb 0.52 1.06 -0.12 0.00 -2.10 0.00 0.00 70.33 69.70 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 -0.82 0.26 0.23 3.42 0.01 -1.26 -5.06 113.70 110.48 2kpo s SER 85 Ca 0.04 -0.42 -0.06 0.00 1.31 0.00 0.00 55.95 56.82 2kpo s SER 85 Cb 0.04 0.08 0.34 0.00 0.21 0.00 0.00 66.02 66.68 2kpo s SER 85 CO 0.11 -0.24 1.81 1.55 0.41 0.00 0.00 173.24 176.87 2kpo h PRO 86 N 4.89 0.73 0.00 12.44 0.13 -1.91 -1.54 132.00 146.73 2kpo h PRO 86 Ca -0.31 -0.04 -0.04 0.00 -0.87 0.00 0.00 66.00 64.74 2kpo h PRO 86 Cb 1.21 -0.16 -0.01 0.00 0.13 0.00 0.00 31.00 32.17 2kpo h PRO 86 CO 0.43 0.48 -0.18 0.22 -0.23 0.00 0.00 178.00 178.72 2kpo h ASP 87 N 0.75 0.00 0.52 1.44 3.58 -1.96 -2.75 116.42 118.01 2kpo h ASP 87 Ca 0.36 0.00 -0.02 0.00 0.42 0.00 0.00 57.03 57.79 2kpo h ASP 87 Cb 0.29 0.00 -0.02 0.00 1.72 0.00 0.00 39.33 41.33 2kpo h ASP 87 CO -0.22 0.18 -0.43 -0.33 -2.88 0.00 0.00 179.24 175.55 2kpo h GLU 88 N 0.00 -0.91 -0.49 0.28 4.39 -1.70 0.31 114.58 116.46 2kpo h GLU 88 Ca -0.00 0.06 0.08 0.00 0.34 0.00 0.00 59.36 59.84 2kpo h GLU 88 Cb 0.48 0.21 -0.07 0.00 -0.10 0.00 0.00 28.75 29.27 2kpo h GLU 88 CO 0.02 -0.60 0.10 0.00 -1.16 0.00 0.00 179.01 177.37 2kpo h ALA 89 N -0.67 0.55 -0.75 3.43 0.00 -1.53 0.79 119.26 121.09 2kpo h ALA 89 Ca -0.06 0.10 0.11 0.00 0.00 0.00 0.00 54.91 55.07 2kpo h ALA 89 Cb 0.80 0.14 -0.08 0.00 0.00 0.00 0.00 17.79 18.65 2kpo h ALA 89 CO -0.01 -0.31 0.36 0.87 0.00 0.00 0.00 179.25 180.17 2kpo h LYS 90 N 0.24 0.57 0.10 0.00 1.57 -1.24 -1.11 116.57 116.68 2kpo h LYS 90 Ca 0.25 -0.03 -0.00 0.00 -1.87 0.00 0.00 60.65 58.99 2kpo h LYS 90 Cb 0.33 -0.13 0.00 0.00 0.08 0.00 0.00 32.23 32.51 2kpo h LYS 90 CO -0.32 0.38 -0.05 -0.09 -0.57 0.00 0.00 179.45 178.80 2kpo h ARG 91 N 0.58 -0.13 -0.79 3.15 2.43 0.78 -2.97 114.38 117.45 2kpo h ARG 91 Ca 0.38 0.01 0.02 0.00 -0.81 0.00 0.00 59.98 59.58 2kpo h ARG 91 Cb 0.46 0.03 -0.04 0.00 -0.42 0.00 0.00 29.97 30.00 2kpo h ARG 91 CO -0.31 0.30 0.52 -1.49 -1.51 0.00 0.00 179.97 177.48 2kpo h TRP 92 N -0.60 0.98 -0.50 2.20 4.06 -0.72 -0.67 115.95 120.71 2kpo h TRP 92 Ca -0.01 0.02 0.06 0.00 2.06 0.00 0.00 58.89 61.02 2kpo h TRP 92 Cb 0.48 -0.33 -0.05 0.00 -1.00 0.00 0.00 29.16 28.26 2kpo h TRP 92 CO 0.07 0.60 0.20 0.82 -3.56 0.00 0.00 178.44 176.58 2kpo h ILE 93 N 1.04 0.87 -0.04 1.49 2.04 -1.28 0.07 117.51 121.70 2kpo h ILE 93 Ca 0.30 -0.14 0.01 0.00 1.00 0.00 0.00 64.86 66.03 2kpo h ILE 93 Cb -0.08 0.43 -0.01 0.00 -0.74 0.00 0.00 36.82 36.43 2kpo h ILE 93 CO -0.08 0.07 -0.01 0.50 0.00 0.00 0.00 178.15 178.64 2kpo h LYS 94 N 0.40 0.00 0.00 2.37 3.64 -1.21 -2.52 116.57 119.26 2kpo h LYS 94 Ca 0.23 -0.00 -0.00 0.00 -1.27 0.00 0.00 60.65 59.61 2kpo h LYS 94 Cb 0.22 -0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 32.04 2kpo h LYS 94 CO -0.22 0.00 -0.01 0.93 -2.27 0.00 0.00 179.45 177.89 2kpo h GLU 95 N 0.00 0.00 -0.22 1.90 5.08 -0.67 0.24 114.58 120.90 2kpo h GLU 95 Ca 0.02 0.00 -0.20 0.00 -1.00 0.00 0.00 59.36 58.19 2kpo h GLU 95 Cb 0.03 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.28 2kpo h GLU 95 CO -0.04 0.01 -0.63 0.35 -1.00 0.00 0.00 179.01 177.69 2kpo h PHE 96 N 0.00 1.02 0.00 4.33 3.04 -0.77 -3.14 116.94 121.41 2kpo h PHE 96 Ca -0.00 -0.39 -0.07 0.00 3.98 0.00 0.00 57.97 61.48 2kpo h PHE 96 Cb 0.36 -0.18 -0.01 0.00 2.56 0.00 0.00 35.95 38.68 2kpo h PHE 96 CO 0.00 1.21 -0.35 1.03 -2.02 0.00 0.00 178.31 178.18 2kpo h SER 97 N 0.58 0.00 -0.73 0.41 0.87 -0.61 -2.17 113.55 111.91 2kpo h SER 97 Ca -0.01 0.00 0.07 0.00 -1.23 0.00 0.00 61.79 60.63 2kpo h SER 97 Cb 1.24 0.00 -0.05 0.00 -0.44 0.00 0.00 62.40 63.15 2kpo h SER 97 CO 0.13 0.35 0.48 -0.33 -0.53 0.00 0.00 176.83 176.94 2kpo h GLU 98 N 0.00 0.70 0.01 2.24 4.39 -1.00 -2.88 114.58 118.04 2kpo h GLU 98 Ca -0.00 -0.04 -0.04 0.00 0.34 0.00 0.00 59.36 59.62 2kpo h GLU 98 Cb 0.69 -0.16 -0.00 0.00 -0.10 0.00 0.00 28.75 29.18 2kpo h GLU 98 CO 0.05 0.46 -0.20 0.93 -1.16 0.00 0.00 179.01 179.09 2kpo h GLU 99 N 0.72 0.02 0.00 2.33 5.08 -1.56 -3.49 114.58 117.68 2kpo h GLU 99 Ca 0.32 -0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.65 2kpo h GLU 99 Cb 0.33 0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.59 2kpo h GLU 99 CO -0.11 1.02 0.00 0.41 -1.00 0.00 0.00 179.01 179.33 2kpo n GLY 100 N 1.60 3.52 0.09 -3.84 0.00 -0.84 -2.86 105.19 102.85 2kpo n GLY 100 Ca -0.13 0.08 -0.15 0.00 0.00 0.00 0.00 46.02 45.82 2kpo n GLY 100 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 2kpo h GLY 101 N 0.00 0.13 -6.18 -0.02 0.00 -1.91 -3.49 103.07 91.59 2kpo h GLY 101 Ca 0.00 -0.23 -0.30 0.00 0.00 0.00 0.00 47.33 46.79 2kpo h GLY 101 CO 0.00 0.21 -0.67 -1.14 0.00 0.00 0.00 176.54 174.93 2kpo n SER 102 N -4.55 -5.99 0.04 0.19 3.41 -1.13 -4.94 113.62 100.64 2kpo n SER 102 Ca -0.10 -0.65 -0.02 0.00 -0.26 0.00 0.00 58.87 57.84 2kpo n SER 102 Cb 0.49 -3.21 -0.08 0.00 -0.26 0.00 0.00 64.21 61.14 2kpo n SER 102 CO 0.00 0.00 0.00 -0.07 -0.16 0.00 0.00 175.04 174.81 2kpo h LEU 103 N -0.23 0.00-10.17 1.04 3.38 -1.94 -3.47 115.31 103.91 2kpo h LEU 103 Ca -0.41 0.00 -0.48 0.00 0.09 0.00 0.00 57.88 57.09 2kpo h LEU 103 Cb 1.25 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.99 2kpo h LEU 103 CO 0.36 0.68 -0.40 -1.61 0.09 0.00 0.00 178.44 177.56 2kpo s GLU 104 N -2.85 3.45 -0.00 1.13 2.02 -1.26 -5.00 118.70 116.18 2kpo s GLU 104 Ca -0.02 -0.66 0.05 0.00 0.02 0.00 0.00 54.97 54.36 2kpo s GLU 104 Cb 0.08 -2.87 0.16 0.00 0.10 0.00 0.00 34.13 31.60 2kpo s GLU 104 CO 0.81 0.40 1.13 0.72 0.02 0.00 0.00 175.26 178.34 2kpo n HIS 105 N -1.31 0.24 -1.89 1.61 8.25 -1.26 -4.80 115.22 116.05 2kpo n HIS 105 Ca -0.08 -0.12 -0.23 0.00 -0.26 0.00 0.00 57.72 57.04 2kpo n HIS 105 Cb 0.56 -0.00 -0.07 0.00 1.12 0.00 0.00 29.99 31.60 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 -1.76 1.64 -0.30 4.41 3.76 -1.26 -4.69 115.29 117.09 2kpo s HIS 106 Ca 0.12 1.15 -0.09 0.00 -0.15 0.00 0.00 55.06 56.09 2kpo s HIS 106 Cb 0.06 -3.77 0.18 0.00 1.11 0.00 0.00 32.58 30.16 2kpo s HIS 106 CO 0.08 -1.22 0.96 -3.38 -0.85 0.00 0.00 174.74 170.33 2kpo s HIS 107 N 12.81 -0.75 -0.11 1.40 -3.43 -1.26 -5.13 115.29 118.81 2kpo s HIS 107 Ca 0.75 0.62 -0.29 0.00 -0.80 0.00 0.00 55.06 55.33 2kpo s HIS 107 Cb -0.04 0.20 -0.06 0.00 -1.43 0.00 0.00 32.58 31.24 2kpo s HIS 107 CO 0.11 -0.42 2.02 -1.58 -2.00 0.00 0.00 174.74 172.87 2kpo s HIS 108 N 2.93 1.36 -0.28 0.38 2.46 -1.26 -4.93 115.29 115.95 2kpo s HIS 108 Ca 0.12 0.13 -0.26 0.00 0.47 0.00 0.00 55.06 55.53 2kpo s HIS 108 Cb -0.08 -4.07 0.15 0.00 -0.13 0.00 0.00 32.58 28.45 2kpo s HIS 108 CO -0.18 -4.52 1.17 -1.58 -2.47 0.00 0.00 174.74 167.16 2kpo s HIS 109 N 6.25 -0.32 -2.00 3.88 5.04 -1.26 -5.32 115.29 121.56 2kpo s HIS 109 Ca 0.91 0.76 0.30 0.00 -1.54 0.00 0.00 55.06 55.49 2kpo s HIS 109 Cb -0.36 0.41 1.79 0.00 0.04 0.00 0.00 32.58 34.46 2kpo s HIS 109 CO 0.37 -0.17 2.12 0.72 -2.34 0.00 0.00 174.74 175.44