#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1k5o n ARG 2 N 0.00 0.53 -3.33 0.00 1.74 -1.26 -3.51 116.66 110.83 1k5o n ARG 2 Ca 0.00 0.00 -0.24 0.00 -0.77 0.00 0.00 57.85 56.84 1k5o n ARG 2 Cb 0.00 0.00 -0.09 0.00 -1.02 0.00 0.00 32.46 31.35 1k5o n ARG 2 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 1k5o s VAL 3 N 0.00 0.10 -0.29 1.55 0.11 -1.26 -4.43 120.40 116.18 1k5o s VAL 3 Ca 0.00 -2.19 0.04 0.00 -2.93 0.00 0.00 61.98 56.89 1k5o s VAL 3 Cb 0.00 -1.04 0.19 0.00 -1.53 0.00 0.00 36.38 34.00 1k5o s VAL 3 CO 0.00 -1.01 0.55 0.42 -3.33 0.00 0.00 175.10 171.73 1k5o s THR 4 N 0.41 -0.92 0.08 5.04 -4.23 -1.18 -4.18 115.64 110.66 1k5o s THR 4 Ca 0.29 -0.05 0.08 0.00 -1.18 0.00 0.00 61.69 60.83 1k5o s THR 4 Cb -0.02 -0.99 -0.04 0.00 1.34 0.00 0.00 72.50 72.79 1k5o s THR 4 CO -0.14 -0.05 -0.16 0.54 -0.54 0.00 0.00 174.62 174.27 1k5o s VAL 5 N 2.78 2.99 0.00 2.29 0.11 -1.26 -4.75 120.40 122.55 1k5o s VAL 5 Ca 0.12 -1.30 0.00 0.00 -2.93 0.00 0.00 61.98 57.87 1k5o s VAL 5 Cb -0.12 -2.33 0.00 0.00 -1.53 0.00 0.00 36.38 32.40 1k5o s VAL 5 CO -0.25 0.20 0.00 0.29 -3.33 0.00 0.00 175.10 172.01 1k5o n LYS 6 N 1.07 0.00 -0.34 1.54 4.76 -1.26 -4.39 118.16 119.55 1k5o n LYS 6 Ca -0.15 0.00 0.05 0.00 -2.87 0.00 0.00 58.31 55.33 1k5o n LYS 6 Cb 0.52 0.00 -0.01 0.00 -1.84 0.00 0.00 35.03 33.70 1k5o n LYS 6 CO 0.00 0.00 0.00 0.66 -1.37 0.00 0.00 177.40 176.69 1k5o n TYR 7 N 0.00 -2.12 0.00 2.13 4.01 -1.26 -4.89 117.16 115.03 1k5o n TYR 7 Ca 0.00 0.42 0.00 0.00 -0.16 0.00 0.00 57.90 58.16 1k5o n TYR 7 Cb 0.00 -0.70 0.00 0.00 -0.31 0.00 0.00 39.34 38.33 1k5o n TYR 7 CO 0.00 0.00 0.00 -3.47 -0.46 0.00 0.00 176.86 172.93 1k5o n ASP 8 N -1.77 0.00 0.00 7.72 -0.08 1.23 -5.02 116.55 118.63 1k5o n ASP 8 Ca 0.00 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.28 1k5o n ASP 8 Cb 0.15 0.00 0.00 0.00 2.34 0.00 0.00 41.12 43.61 1k5o n ASP 8 CO 0.00 0.00 0.00 -1.14 0.12 0.00 0.00 177.20 176.18 1k5o n ARG 9 N 0.00 0.30 -1.50 -0.67 0.63 -1.26 -5.04 116.66 109.12 1k5o n ARG 9 Ca 0.00 0.00 0.03 0.00 -0.92 0.00 0.00 57.85 56.96 1k5o n ARG 9 Cb 0.00 0.00 -0.02 0.00 0.45 0.00 0.00 32.46 32.89 1k5o n ARG 9 CO 0.00 0.00 0.00 -2.13 -2.51 0.00 0.00 177.63 172.99 1k5o n ARG 10 N 0.00 -3.56 -4.09 -0.14 0.63 -1.26 -4.41 116.66 103.83 1k5o n ARG 10 Ca 0.00 2.79 -0.39 0.00 -0.92 0.00 0.00 57.85 59.33 1k5o n ARG 10 Cb 0.00 -3.64 -0.01 0.00 0.45 0.00 0.00 32.46 29.26 1k5o n ARG 10 CO 0.00 0.00 0.00 0.39 -2.51 0.00 0.00 177.63 175.51 1k5o n GLU 11 N -2.89 -0.79 0.14 -0.14 4.71 -1.26 -4.69 120.64 115.72 1k5o n GLU 11 Ca -0.02 0.15 0.05 0.00 -0.01 0.00 0.00 57.16 57.33 1k5o n GLU 11 Cb 0.47 -3.15 0.04 0.00 -1.01 0.00 0.00 31.44 27.80 1k5o n GLU 11 CO 0.00 0.00 0.00 -0.07 0.09 0.00 0.00 177.13 177.15 1k5o h LEU 12 N -2.27 0.00 -2.72 -4.62 -0.00 -1.95 0.17 115.31 103.92 1k5o h LEU 12 Ca -0.69 0.00 -0.00 0.00 -0.00 0.00 0.00 57.88 57.19 1k5o h LEU 12 Cb 1.40 0.00 -0.00 0.00 -0.00 0.00 0.00 40.66 42.06 1k5o h LEU 12 CO 0.57 0.36 -0.01 1.56 -0.00 0.00 0.00 178.44 180.93 1k5o h GLN 13 N 0.00 0.00 0.00 1.13 4.20 -1.97 5.87 115.11 124.34 1k5o h GLN 13 Ca -0.02 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.69 1k5o h GLN 13 Cb 1.29 0.00 0.00 0.00 0.30 0.00 0.00 27.48 29.07 1k5o h GLN 13 CO 0.04 0.01 -0.34 0.00 -0.67 0.00 0.00 178.83 177.87 1k5o h ARG 14 N 0.00 0.00 0.00 1.46 3.08 -1.71 -3.32 114.38 113.89 1k5o h ARG 14 Ca -0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 1k5o h ARG 14 Cb 0.06 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.11 1k5o h ARG 14 CO 0.00 0.00 0.11 0.00 -1.07 0.00 0.00 179.97 179.01 1k5o h ARG 15 N -0.82 0.00 0.00 0.04 3.08 0.01 0.72 114.38 117.40 1k5o h ARG 15 Ca 0.00 0.00 -0.03 0.00 0.07 0.00 0.00 59.98 60.02 1k5o h ARG 15 Cb 0.34 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.39 1k5o h ARG 15 CO 0.00 0.00 -0.12 -0.07 -1.07 0.00 0.00 179.97 178.71 1k5o h LEU 16 N 0.00 0.00 0.00 3.04 -0.00 1.19 2.75 115.31 122.29 1k5o h LEU 16 Ca 0.00 0.00 -0.07 0.00 -0.00 0.00 0.00 57.88 57.81 1k5o h LEU 16 Cb 0.21 0.00 -0.01 0.00 -0.00 0.00 0.00 40.66 40.86 1k5o h LEU 16 CO 0.00 0.12 -0.66 -0.78 -0.00 0.00 0.00 178.44 177.12 1k5o h ASP 17 N 0.00 0.00 -0.60 -0.43 3.58 0.31 -1.82 116.42 117.46 1k5o h ASP 17 Ca -0.00 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.45 1k5o h ASP 17 Cb 0.24 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.29 1k5o h ASP 17 CO 0.02 0.27 0.00 0.52 -2.88 0.00 0.00 179.24 177.17 1k5o n VAL 18 N -3.00 1.83 -0.00 2.25 0.31 0.17 -2.58 118.33 117.30 1k5o n VAL 18 Ca -0.00 -1.12 0.00 0.00 -0.01 0.00 0.00 64.34 63.21 1k5o n VAL 18 Cb 0.66 0.03 -0.01 0.00 -0.91 0.00 0.00 33.84 33.62 1k5o n VAL 18 CO 0.00 0.00 0.00 1.21 -1.32 0.00 0.00 176.83 176.72 1k5o n GLU 19 N 0.98 1.78 -0.03 5.55 2.13 0.87 -4.59 120.64 127.34 1k5o n GLU 19 Ca 0.24 -0.01 -0.21 0.00 0.66 0.00 0.00 57.16 57.85 1k5o n GLU 19 Cb 0.88 -1.03 -0.13 0.00 0.27 0.00 0.00 31.44 31.43 1k5o n GLU 19 CO 0.00 0.00 0.00 1.17 -0.41 0.00 0.00 177.13 177.89 1k5o n LYS 20 N -1.77 0.72 -0.26 5.31 4.81 -0.71 -2.39 118.16 123.87 1k5o n LYS 20 Ca -0.01 0.28 0.19 0.00 -0.87 0.00 0.00 58.31 57.91 1k5o n LYS 20 Cb 0.26 -1.68 0.50 0.00 0.02 0.00 0.00 35.03 34.13 1k5o n LYS 20 CO 0.00 0.00 0.00 0.11 1.17 0.00 0.00 177.40 178.68 1k5o h TRP 21 N -0.09 0.59 0.01 5.64 5.08 -1.76 -2.78 115.95 122.64 1k5o h TRP 21 Ca -0.44 0.02 -0.30 0.00 1.08 0.00 0.00 58.89 59.24 1k5o h TRP 21 Cb 1.92 -0.18 -0.04 0.00 -3.00 0.00 0.00 29.16 27.86 1k5o h TRP 21 CO 0.07 0.14 -1.66 0.44 -1.28 0.00 0.00 178.44 176.16 1k5o n ILE 22 N -4.54 1.55 -0.35 0.12 -6.64 -1.26 -2.56 119.36 105.68 1k5o n ILE 22 Ca 0.20 -0.16 0.34 0.00 -1.77 0.00 0.00 62.75 61.36 1k5o n ILE 22 Cb 0.71 -1.97 0.61 0.00 -1.44 0.00 0.00 39.64 37.54 1k5o n ILE 22 CO 0.00 0.00 0.00 -0.67 -1.77 0.00 0.00 176.55 174.11 1k5o n ASP 23 N -4.32 0.31 -0.09 7.28 2.03 -1.01 0.41 116.55 121.17 1k5o n ASP 23 Ca -0.38 1.58 -0.16 0.00 0.52 0.00 0.00 54.79 56.35 1k5o n ASP 23 Cb 0.76 -0.77 -0.09 0.00 -0.72 0.00 0.00 41.12 40.30 1k5o n ASP 23 CO 0.00 0.00 0.00 1.23 -1.92 0.00 0.00 177.20 176.51 1k5o h GLY 24 N 0.00 0.00 0.90 0.27 0.00 -1.67 -1.24 103.07 101.33 1k5o h GLY 24 Ca 0.85 0.00 -0.04 0.00 0.00 0.00 0.00 47.33 48.14 1k5o h GLY 24 CO -0.69 0.00 -0.43 3.21 0.00 0.00 0.00 176.54 178.63 1k5o h ARG 25 N -1.00 -1.16 -0.90 4.80 2.47 -0.61 -1.43 114.38 116.55 1k5o h ARG 25 Ca -0.21 0.08 0.15 0.00 -1.26 0.00 0.00 59.98 58.75 1k5o h ARG 25 Cb 1.02 0.26 -0.07 0.00 -1.65 0.00 0.00 29.97 29.54 1k5o h ARG 25 CO -0.13 -0.77 0.58 -0.07 0.56 0.00 0.00 179.97 180.14 1k5o h LEU 26 N -1.28 0.63 -0.96 3.04 -0.00 0.77 2.43 115.31 119.93 1k5o h LEU 26 Ca -0.12 0.04 0.40 0.00 -0.00 0.00 0.00 57.88 58.20 1k5o h LEU 26 Cb 0.92 -0.08 -0.17 0.00 -0.00 0.00 0.00 40.66 41.33 1k5o h LEU 26 CO 0.20 0.30 0.51 1.21 -0.00 0.00 0.00 178.44 180.67 1k5o n GLU 27 N -4.57 -0.06 0.00 1.13 0.00 -0.47 0.08 120.64 116.76 1k5o n GLU 27 Ca 0.18 1.33 0.00 0.00 0.00 0.00 0.00 57.16 58.67 1k5o n GLU 27 Cb 0.51 -2.38 0.00 0.00 0.00 0.00 0.00 31.44 29.56 1k5o n GLU 27 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.13 175.22 1k5o n GLU 28 N -5.18 0.00 0.09 5.31 2.13 0.95 -3.31 120.64 120.64 1k5o n GLU 28 Ca 0.36 0.00 0.05 0.00 0.66 0.00 0.00 57.16 58.24 1k5o n GLU 28 Cb 1.23 -0.85 0.28 0.00 0.27 0.00 0.00 31.44 32.38 1k5o n GLU 28 CO 0.00 0.00 0.00 1.47 -0.41 0.00 0.00 177.13 178.19 1k5o n LEU 29 N -2.27 0.27 -0.37 4.31 -0.00 0.78 -2.40 117.00 117.31 1k5o n LEU 29 Ca 0.00 0.58 0.00 0.00 -0.00 0.00 0.00 56.01 56.59 1k5o n LEU 29 Cb 0.37 -0.60 0.00 0.00 -0.00 0.00 0.00 43.42 43.20 1k5o n LEU 29 CO 0.00 -0.67 0.20 -1.22 -0.00 0.00 0.00 177.39 175.69 1k5o n TYR 30 N -1.85 0.00 0.00 1.47 4.01 -0.67 -4.72 117.16 115.40 1k5o n TYR 30 Ca -0.01 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.73 1k5o n TYR 30 Cb 0.10 0.18 0.00 0.00 -0.31 0.00 0.00 39.34 39.31 1k5o n TYR 30 CO 0.00 0.00 0.00 -2.13 -0.46 0.00 0.00 176.86 174.27 1k5o n ARG 31 N 0.00 0.00 0.00 -0.72 0.63 0.11 0.32 116.66 117.00 1k5o n ARG 31 Ca 0.00 0.46 0.00 0.00 -0.92 0.00 0.00 57.85 57.39 1k5o n ARG 31 Cb 0.52 -0.83 0.00 0.00 0.45 0.00 0.00 32.46 32.61 1k5o n ARG 31 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 1k5o n GLY 32 N -0.90 -0.27 0.03 5.14 0.00 -1.26 -2.00 105.19 105.92 1k5o n GLY 32 Ca 0.00 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.06 1k5o n GLY 32 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1k5o n ARG 33 N -0.34 2.33 -0.15 1.61 1.74 0.96 -4.73 116.66 118.07 1k5o n ARG 33 Ca 0.00 -1.92 0.27 0.00 -0.77 0.00 0.00 57.85 55.44 1k5o n ARG 33 Cb 0.04 -1.19 0.55 0.00 -1.02 0.00 0.00 32.46 30.83 1k5o n ARG 33 CO 0.00 0.00 0.00 1.49 -1.52 0.00 0.00 177.63 177.60 1k5o h GLU 34 N 0.00 0.00 -0.26 5.56 4.81 0.70 2.36 114.58 127.75 1k5o h GLU 34 Ca 0.00 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 1k5o h GLU 34 Cb 0.69 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.07 1k5o h GLU 34 CO 0.00 0.00 0.00 0.00 -0.73 0.00 0.00 179.01 178.28 1k5o n ALA 35 N -2.31 2.36 1.08 2.92 0.00 -1.26 -4.29 120.51 119.01 1k5o n ALA 35 Ca 0.20 -0.92 0.12 0.00 0.00 0.00 0.00 53.44 52.84 1k5o n ALA 35 Cb 1.30 -0.57 0.13 0.00 0.00 0.00 0.00 19.45 20.30 1k5o n ALA 35 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1k5o n ASP 36 N 0.90 1.54 -3.84 0.00 9.92 0.79 -4.87 116.55 120.99 1k5o n ASP 36 Ca 0.13 -1.21 -0.19 0.00 -0.53 0.00 0.00 54.79 52.99 1k5o n ASP 36 Cb 0.44 0.39 -0.16 0.00 -0.64 0.00 0.00 41.12 41.15 1k5o n ASP 36 CO 0.00 0.00 0.00 -0.32 0.13 0.00 0.00 177.20 177.01 1k5o s MET 37 N -2.55 0.56 0.36 -1.24 -2.45 -1.15 -5.11 119.30 107.72 1k5o s MET 37 Ca 0.19 0.00 0.06 0.00 -1.25 0.00 0.00 55.69 54.70 1k5o s MET 37 Cb 0.18 -0.69 -0.00 0.00 1.25 0.00 0.00 34.83 35.57 1k5o s MET 37 CO 0.58 -0.13 0.50 -1.25 1.05 0.00 0.00 175.02 175.78 1k5o s PRO 38 N 1.08 3.06 -0.66 4.11 0.04 -1.26 -4.48 135.00 136.89 1k5o s PRO 38 Ca -0.09 -1.02 0.02 0.00 0.04 0.00 0.00 61.00 59.95 1k5o s PRO 38 Cb -0.14 -2.79 0.38 0.00 0.04 0.00 0.00 34.50 31.99 1k5o s PRO 38 CO -0.01 -0.03 1.51 -0.40 0.04 0.00 0.00 177.00 178.11 1k5o n ASP 39 N -1.71 6.00 -2.89 6.66 5.75 -1.26 -3.08 116.55 126.02 1k5o n ASP 39 Ca 0.01 -3.76 -0.12 0.00 -0.01 0.00 0.00 54.79 50.91 1k5o n ASP 39 Cb 0.58 -0.77 0.04 0.00 -1.03 0.00 0.00 41.12 39.95 1k5o n ASP 39 CO 0.00 0.00 0.00 -0.62 -0.11 0.00 0.00 177.20 176.47 1k5o n GLU 40 N -0.44 1.04 -1.33 0.11 1.02 -1.26 -4.15 120.64 115.63 1k5o n GLU 40 Ca 0.45 -2.62 0.00 0.00 -0.02 0.00 0.00 57.16 54.96 1k5o n GLU 40 Cb 0.43 -1.17 0.00 0.00 -0.02 0.00 0.00 31.44 30.68 1k5o n GLU 40 CO 0.00 0.00 0.00 1.33 1.18 0.00 0.00 177.13 179.64 1k5o n VAL 41 N 0.15 0.00 0.30 2.62 0.24 -1.26 -4.99 118.33 115.39 1k5o n VAL 41 Ca 0.12 0.00 0.18 0.00 -2.04 0.00 0.00 64.34 62.60 1k5o n VAL 41 Cb 0.72 0.00 0.96 0.00 -1.47 0.00 0.00 33.84 34.05 1k5o n VAL 41 CO 0.00 0.00 0.00 0.78 -2.14 0.00 0.00 176.83 175.47 1k5o h ASN 42 N 0.00 0.00 -0.70 -1.34 4.21 -1.97 -2.95 115.58 112.83 1k5o h ASN 42 Ca 0.00 0.00 0.27 0.00 1.21 0.00 0.00 56.30 57.78 1k5o h ASN 42 Cb 0.00 0.00 -0.10 0.00 -1.12 0.00 0.00 38.32 37.10 1k5o h ASN 42 CO 0.00 0.03 0.41 -0.38 -1.29 0.00 0.00 177.43 176.20 1k5o n ILE 43 N -3.33 -0.22 0.08 2.81 2.08 -1.26 0.12 119.36 119.65 1k5o n ILE 43 Ca -0.02 1.21 -0.10 0.00 0.56 0.00 0.00 62.75 64.40 1k5o n ILE 43 Cb 0.16 -1.97 -0.06 0.00 -0.75 0.00 0.00 39.64 37.02 1k5o n ILE 43 CO 0.00 0.00 0.00 -0.78 0.56 0.00 0.00 176.55 176.33 1k5o h ASP 44 N 0.00 -0.25 0.09 4.38 1.82 -1.89 -1.31 116.42 119.26 1k5o h ASP 44 Ca 0.53 -0.24 -0.00 0.00 -0.39 0.00 0.00 57.03 56.93 1k5o h ASP 44 Cb 1.52 0.06 0.00 0.00 0.68 0.00 0.00 39.33 41.60 1k5o h ASP 44 CO -0.41 0.27 -0.04 -0.33 -1.61 0.00 0.00 179.24 177.12 1k5o h GLU 45 N -0.95 -0.11 -0.91 0.28 5.08 0.78 -1.80 114.58 116.95 1k5o h GLU 45 Ca -0.03 0.01 0.25 0.00 -1.00 0.00 0.00 59.36 58.59 1k5o h GLU 45 Cb 0.47 0.03 -0.04 0.00 0.50 0.00 0.00 28.75 29.71 1k5o h GLU 45 CO 0.05 0.29 0.64 -0.07 -1.00 0.00 0.00 179.01 178.92 1k5o h LEU 46 N -0.55 0.07 -1.16 1.33 3.38 0.69 2.46 115.31 121.54 1k5o h LEU 46 Ca -0.01 0.01 -0.07 0.00 0.09 0.00 0.00 57.88 57.90 1k5o h LEU 46 Cb 0.46 -0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.19 1k5o h LEU 46 CO 0.02 0.03 -0.11 0.25 0.09 0.00 0.00 178.44 178.71 1k5o h LEU 47 N 0.07 0.43 -1.59 1.67 7.12 -0.43 -1.34 115.31 121.24 1k5o h LEU 47 Ca 0.44 -0.10 0.00 0.00 0.13 0.00 0.00 57.88 58.35 1k5o h LEU 47 Cb 1.63 -0.11 0.00 0.00 -0.53 0.00 0.00 40.66 41.65 1k5o h LEU 47 CO -0.04 0.58 0.00 1.21 -0.13 0.00 0.00 178.44 180.06 1k5o n GLU 48 N -4.22 2.17 -2.66 1.25 2.13 0.82 -4.91 120.64 115.22 1k5o n GLU 48 Ca 0.00 -1.24 -0.32 0.00 0.66 0.00 0.00 57.16 56.27 1k5o n GLU 48 Cb 0.31 -1.51 -0.04 0.00 0.27 0.00 0.00 31.44 30.47 1k5o n GLU 48 CO 0.00 0.00 0.00 -0.51 -0.41 0.00 0.00 177.13 176.21 1k5o s LEU 49 N -1.08 3.76 0.00 4.31 1.02 -0.51 -4.96 118.68 121.22 1k5o s LEU 49 Ca 0.22 1.39 0.28 0.00 0.02 0.00 0.00 54.13 56.04 1k5o s LEU 49 Cb 0.14 -4.29 1.00 0.00 0.02 0.00 0.00 46.19 43.06 1k5o s LEU 49 CO 0.11 -0.47 1.74 1.21 0.02 0.00 0.00 176.35 178.96 1k5o n GLU 50 N -1.30 0.26 0.00 1.70 2.13 -1.26 -4.84 120.64 117.33 1k5o n GLU 50 Ca 0.05 -0.09 0.00 0.00 0.66 0.00 0.00 57.16 57.77 1k5o n GLU 50 Cb 0.54 -1.50 0.00 0.00 0.27 0.00 0.00 31.44 30.75 1k5o n GLU 50 CO 0.00 0.00 0.00 -1.13 -0.41 0.00 0.00 177.13 175.59 1k5o n SER 51 N -1.28 0.00 0.00 4.31 3.41 -1.26 -5.04 113.62 113.75 1k5o n SER 51 Ca 0.09 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.70 1k5o n SER 51 Cb 0.32 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.27 1k5o n SER 51 CO 0.00 0.00 0.00 1.21 -0.16 0.00 0.00 175.04 176.09 1k5o n GLU 52 N 0.00 0.00 0.00 4.33 2.13 -1.26 -4.91 120.64 120.92 1k5o n GLU 52 Ca 0.00 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.82 1k5o n GLU 52 Cb 0.00 -0.40 0.00 0.00 0.27 0.00 0.00 31.44 31.31 1k5o n GLU 52 CO 0.00 0.00 0.00 -1.91 -0.41 0.00 0.00 177.13 174.81 1k5o n GLU 53 N -2.36 3.92 0.28 5.31 2.13 -1.26 -4.64 120.64 124.02 1k5o n GLU 53 Ca 0.00 -0.04 0.12 0.00 0.66 0.00 0.00 57.16 57.90 1k5o n GLU 53 Cb 0.19 -0.39 0.80 0.00 0.27 0.00 0.00 31.44 32.31 1k5o n GLU 53 CO 0.00 0.00 0.00 1.49 -0.41 0.00 0.00 177.13 178.21 1k5o h GLU 54 N 0.00 0.00 -0.49 5.31 4.81 -1.96 0.95 114.58 123.20 1k5o h GLU 54 Ca 0.00 0.00 -0.06 0.00 -0.13 0.00 0.00 59.36 59.17 1k5o h GLU 54 Cb 0.02 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 29.38 1k5o h GLU 54 CO 0.00 0.02 0.07 0.07 -0.73 0.00 0.00 179.01 178.44 1k5o h ARG 55 N 0.00 0.82 0.00 1.92 0.11 -1.82 -1.74 114.38 113.66 1k5o h ARG 55 Ca -0.00 -0.23 -0.01 0.00 0.10 0.00 0.00 59.98 59.84 1k5o h ARG 55 Cb 0.04 -0.09 -0.00 0.00 1.11 0.00 0.00 29.97 31.03 1k5o h ARG 55 CO 0.00 0.83 -0.05 1.03 0.10 0.00 0.00 179.97 181.88 1k5o h SER 56 N 0.69 0.00 -0.43 0.08 0.87 -0.67 -2.85 113.55 111.24 1k5o h SER 56 Ca 0.15 0.00 -0.03 0.00 -1.23 0.00 0.00 61.79 60.68 1k5o h SER 56 Cb 0.41 0.00 -0.02 0.00 -0.44 0.00 0.00 62.40 62.36 1k5o h SER 56 CO 0.01 0.05 0.16 -0.09 -0.53 0.00 0.00 176.83 176.43 1k5o h ARG 57 N 0.00 0.65 0.00 2.24 2.43 0.16 1.49 114.38 121.35 1k5o h ARG 57 Ca -0.00 -0.13 -0.26 0.00 -0.81 0.00 0.00 59.98 58.78 1k5o h ARG 57 Cb 0.92 -0.10 0.02 0.00 -0.42 0.00 0.00 29.97 30.39 1k5o h ARG 57 CO 0.01 0.61 -1.03 -0.22 -1.51 0.00 0.00 179.97 177.83 1k5o h LYS 58 N 0.55 0.66 0.00 0.20 1.63 -1.51 -2.79 116.57 115.31 1k5o h LYS 58 Ca 0.14 -0.71 -0.07 0.00 -0.85 0.00 0.00 60.65 59.16 1k5o h LYS 58 Cb 0.22 0.20 -0.01 0.00 -0.60 0.00 0.00 32.23 32.04 1k5o h LYS 58 CO -0.01 1.30 -0.32 0.82 -3.45 0.00 0.00 179.45 177.79 1k5o h ILE 59 N 0.37 0.87 -0.30 2.00 1.08 -1.32 -1.02 117.51 119.20 1k5o h ILE 59 Ca -0.12 -1.28 -0.07 0.00 -0.39 0.00 0.00 64.86 63.00 1k5o h ILE 59 Cb 1.68 1.77 -0.01 0.00 -3.07 0.00 0.00 36.82 37.20 1k5o h ILE 59 CO 0.20 0.31 -0.10 -0.61 -0.69 0.00 0.00 178.15 177.26 1k5o h GLN 60 N 0.00 0.60 0.00 2.37 4.15 0.22 -2.65 115.11 119.80 1k5o h GLN 60 Ca -0.00 -0.24 0.00 0.00 0.77 0.00 0.00 58.65 59.17 1k5o h GLN 60 Cb 0.74 -0.03 0.00 0.00 0.21 0.00 0.00 27.48 28.41 1k5o h GLN 60 CO 0.04 0.81 0.00 0.41 -1.93 0.00 0.00 178.83 178.16 1k5o n GLY 61 N -0.11 -1.63 0.41 2.39 0.00 -1.07 -1.66 105.19 103.53 1k5o n GLY 61 Ca -0.03 -0.03 -0.17 0.00 0.00 0.00 0.00 46.02 45.78 1k5o n GLY 61 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1k5o h LEU 62 N 0.00 -0.86 -0.19 0.99 3.38 -0.81 -3.32 115.31 114.49 1k5o h LEU 62 Ca 0.00 0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.98 1k5o h LEU 62 Cb 0.66 0.22 0.00 0.00 0.09 0.00 0.00 40.66 41.63 1k5o h LEU 62 CO 0.00 -0.55 -0.71 0.00 0.09 0.00 0.00 178.44 177.27 1k5o n LEU 63 N -5.49 1.00 0.00 1.67 -0.00 -1.22 -5.09 117.00 107.87 1k5o n LEU 63 Ca -0.14 -0.56 0.00 0.00 -0.00 0.00 0.00 56.01 55.32 1k5o n LEU 63 Cb 0.42 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.84 1k5o n LEU 63 CO 0.35 0.23 0.00 1.17 -0.00 0.00 0.00 177.39 179.14 1k5o n LYS 64 N -1.13 0.00 -0.12 1.47 4.81 -0.67 -3.68 118.16 118.85 1k5o n LYS 64 Ca 0.04 0.00 0.05 0.00 -0.87 0.00 0.00 58.31 57.53 1k5o n LYS 64 Cb 0.29 0.00 0.11 0.00 0.02 0.00 0.00 35.03 35.44 1k5o n LYS 64 CO 0.00 0.00 0.00 0.43 1.17 0.00 0.00 177.40 179.00 1k5o n SER 65 N -1.26 -0.04 0.21 3.14 7.64 -1.26 0.77 113.62 122.82 1k5o n SER 65 Ca 0.00 0.60 0.16 0.00 1.01 0.00 0.00 58.87 60.63 1k5o n SER 65 Cb 0.00 -0.22 0.63 0.00 -1.01 0.00 0.00 64.21 63.61 1k5o n SER 65 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1k5o h THR 67 N 0.00 0.99 0.00 0.00 1.03 2.84 -3.32 112.91 114.45 1k5o h THR 67 Ca 0.11 -2.30 0.00 0.00 -0.01 0.00 0.00 66.41 64.21 1k5o h THR 67 Cb 1.23 2.54 0.00 0.00 -1.07 0.00 0.00 68.15 70.85 1k5o h THR 67 CO -0.00 0.57 0.00 -0.46 -0.01 0.00 0.00 175.52 175.62 1k5o n ASN 68 N -4.12 0.00 -4.68 0.00 0.23 0.15 -2.80 115.26 104.04 1k5o n ASN 68 Ca -0.28 0.00 -0.42 0.00 -0.53 0.00 0.00 54.58 53.35 1k5o n ASN 68 Cb 0.80 0.00 -0.03 0.00 -2.08 0.00 0.00 39.78 38.47 1k5o n ASN 68 CO 0.00 0.00 0.00 -2.16 -0.93 0.00 0.00 177.26 174.17 1k5o s PRO 69 N 0.00 4.14 -0.39 -0.53 0.04 -1.26 -4.69 135.00 132.31 1k5o s PRO 69 Ca 0.00 2.57 0.03 0.00 0.04 0.00 0.00 61.00 63.63 1k5o s PRO 69 Cb 0.00 -3.87 0.16 0.00 0.04 0.00 0.00 34.50 30.83 1k5o s PRO 69 CO 0.00 -0.89 0.31 0.95 0.04 0.00 0.00 177.00 177.41 1k5o s THR 70 N 3.59 0.20 -0.14 1.26 -4.23 -1.25 -3.52 115.64 111.54 1k5o s THR 70 Ca 0.83 -2.22 0.04 0.00 -1.18 0.00 0.00 61.69 59.17 1k5o s THR 70 Cb -0.43 -1.14 -0.12 0.00 1.34 0.00 0.00 72.50 72.15 1k5o s THR 70 CO 0.38 -1.09 -0.08 1.21 -0.54 0.00 0.00 174.62 174.50 1k5o n GLU 71 N 3.29 0.94 0.13 3.99 2.13 -1.26 -3.91 120.64 125.95 1k5o n GLU 71 Ca 0.23 0.06 0.03 0.00 0.66 0.00 0.00 57.16 58.13 1k5o n GLU 71 Cb 0.45 -1.31 0.02 0.00 0.27 0.00 0.00 31.44 30.87 1k5o n GLU 71 CO 0.00 0.00 0.00 -0.97 -0.41 0.00 0.00 177.13 175.75 1k5o h ASN 72 N 0.00 0.00 0.03 4.31 -1.24 -1.99 -2.36 115.58 114.33 1k5o h ASN 72 Ca -0.34 0.00 -0.26 0.00 0.71 0.00 0.00 56.30 56.41 1k5o h ASN 72 Cb 1.60 0.00 0.02 0.00 0.73 0.00 0.00 38.32 40.67 1k5o h ASN 72 CO -0.03 0.49 -1.04 0.15 -1.29 0.00 0.00 177.43 175.71 1k5o h PHE 73 N 0.00 0.99 -0.10 0.67 3.04 -1.93 -2.63 116.94 116.97 1k5o h PHE 73 Ca -0.02 -0.56 -0.08 0.00 3.98 0.00 0.00 57.97 61.30 1k5o h PHE 73 Cb 1.38 -0.10 -0.01 0.00 2.56 0.00 0.00 35.95 39.78 1k5o h PHE 73 CO 0.00 1.40 -0.30 -0.24 -2.02 0.00 0.00 178.31 177.14 1k5o h VAL 74 N 0.30 1.25 -0.80 1.41 3.04 -1.67 -2.20 116.25 117.59 1k5o h VAL 74 Ca -0.14 -1.21 -0.02 0.00 -1.01 0.00 0.00 66.70 64.32 1k5o h VAL 74 Cb 1.70 1.52 -0.04 0.00 -2.01 0.00 0.00 31.29 32.46 1k5o h VAL 74 CO 0.20 0.36 0.42 -0.61 -1.01 0.00 0.00 177.57 176.93 1k5o h GLN 75 N 0.17 1.12 0.13 4.17 4.15 -1.29 -2.40 115.11 121.15 1k5o h GLN 75 Ca 0.02 -0.14 -0.00 0.00 0.77 0.00 0.00 58.65 59.30 1k5o h GLN 75 Cb 0.63 -0.21 -0.00 0.00 0.21 0.00 0.00 27.48 28.10 1k5o h GLN 75 CO 0.05 0.84 -0.08 0.93 -1.93 0.00 0.00 178.83 178.64 1k5o h GLU 76 N 1.11 -0.19 -1.05 1.69 3.07 -1.03 0.28 114.58 118.46 1k5o h GLU 76 Ca 0.28 0.01 0.42 0.00 -0.50 0.00 0.00 59.36 59.57 1k5o h GLU 76 Cb 0.06 0.04 -0.17 0.00 -0.84 0.00 0.00 28.75 27.84 1k5o h GLU 76 CO -0.04 -0.13 0.59 1.25 -1.40 0.00 0.00 179.01 179.28 1k5o h LEU 77 N -0.20 0.32 0.41 1.33 7.12 -1.07 0.79 115.31 124.01 1k5o h LEU 77 Ca -0.01 0.24 -0.01 0.00 0.13 0.00 0.00 57.88 58.23 1k5o h LEU 77 Cb 0.17 0.24 -0.03 0.00 -0.53 0.00 0.00 40.66 40.52 1k5o h LEU 77 CO 0.01 -0.39 -0.44 0.25 -0.13 0.00 0.00 178.44 177.74 1k5o h LEU 78 N 0.03 -1.22 0.00 2.25 5.85 -0.62 2.71 115.31 124.32 1k5o h LEU 78 Ca 0.84 0.10 0.00 0.00 0.84 0.00 0.00 57.88 59.67 1k5o h LEU 78 Cb 2.27 0.41 0.00 0.00 0.37 0.00 0.00 40.66 43.71 1k5o h LEU 78 CO -0.72 -0.59 0.00 0.52 -0.34 0.00 0.00 178.44 177.31 1k5o n VAL 79 N -5.52 1.30 -0.05 1.05 0.31 0.27 -2.98 118.33 112.71 1k5o n VAL 79 Ca -0.11 0.32 -0.06 0.00 -0.01 0.00 0.00 64.34 64.49 1k5o n VAL 79 Cb 0.42 -1.21 -0.05 0.00 -0.91 0.00 0.00 33.84 32.08 1k5o n VAL 79 CO 0.00 0.00 0.00 1.17 -1.32 0.00 0.00 176.83 176.68 1k5o n LYS 80 N -1.42 1.24 -0.00 5.55 3.00 -0.16 -3.87 118.16 122.49 1k5o n LYS 80 Ca 0.02 0.03 0.18 0.00 -0.00 0.00 0.00 58.31 58.55 1k5o n LYS 80 Cb 0.07 -1.20 0.33 0.00 0.00 0.00 0.00 35.03 34.23 1k5o n LYS 80 CO 0.00 0.00 0.00 1.37 0.00 0.00 0.00 177.40 178.77 1k5o h LEU 81 N 0.00 0.00 0.00 3.14 8.10 0.48 2.13 115.31 129.16 1k5o h LEU 81 Ca -0.22 0.00 -0.01 0.00 0.11 0.00 0.00 57.88 57.76 1k5o h LEU 81 Cb 1.40 0.00 -0.00 0.00 -0.44 0.00 0.00 40.66 41.62 1k5o h LEU 81 CO -0.02 0.00 -0.34 -0.09 -4.11 0.00 0.00 178.44 173.89 1k5o h ARG 82 N 0.00 0.00 0.00 0.17 2.43 -1.81 -3.33 114.38 111.84 1k5o h ARG 82 Ca 0.30 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.47 1k5o h ARG 82 Cb 2.45 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 32.00 1k5o h ARG 82 CO -0.00 0.03 0.00 0.41 -1.51 0.00 0.00 179.97 178.89 1k5o n GLY 83 N 1.13 -1.58 0.00 2.80 0.00 0.72 -4.72 105.19 103.55 1k5o n GLY 83 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.05 1k5o n GLY 83 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1k5o n LEU 84 N 0.00 0.33 -1.15 0.99 4.77 -1.26 -4.96 117.00 115.71 1k5o n LEU 84 Ca 0.00 -0.33 -0.11 0.00 -0.03 0.00 0.00 56.01 55.54 1k5o n LEU 84 Cb 0.00 0.00 -0.02 0.00 -2.33 0.00 0.00 43.42 41.07 1k5o n LEU 84 CO 0.00 0.08 -0.13 1.41 -1.33 0.00 0.00 177.39 177.42 1k5o n HIS 85 N -0.06 -0.37 0.00 -1.77 8.25 -1.25 -5.05 115.22 114.97 1k5o n HIS 85 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.46 1k5o n HIS 85 Cb 0.35 -2.45 0.00 0.00 1.12 0.00 0.00 29.99 29.01 1k5o n HIS 85 CO 0.00 0.00 0.00 0.36 0.64 0.00 0.00 176.34 177.34