#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kta h ASN 2 N 0.00 0.00 -3.14 6.12 4.21 -2.08 -3.45 115.58 117.24 2kta h ASN 2 Ca 0.00 0.00 -0.59 0.00 1.21 0.00 0.00 56.30 56.92 2kta h ASN 2 Cb 0.00 0.00 -0.04 0.00 -1.12 0.00 0.00 38.32 37.16 2kta h ASN 2 CO 0.00 0.68 -0.21 -1.58 -1.29 0.00 0.00 177.43 175.03 2kta s GLN 3 N -2.87 3.82 0.22 0.81 0.74 -1.26 -5.09 119.66 116.03 2kta s GLN 3 Ca 0.03 0.26 -0.05 0.00 0.05 0.00 0.00 55.36 55.65 2kta s GLN 3 Cb 0.08 -3.01 -0.06 0.00 1.10 0.00 0.00 33.01 31.13 2kta s GLN 3 CO 0.77 0.56 0.48 -0.80 -0.55 0.00 0.00 175.29 175.76 2kta s ASN 4 N -1.67 6.49 0.04 6.67 -0.87 -1.26 -5.11 114.94 119.23 2kta s ASN 4 Ca 0.33 0.68 -0.20 0.00 -1.57 0.00 0.00 52.86 52.10 2kta s ASN 4 Cb -0.14 -2.13 0.04 0.00 -0.02 0.00 0.00 41.25 39.00 2kta s ASN 4 CO 0.18 -0.08 0.46 -0.22 -2.57 0.00 0.00 177.10 174.87 2kta s LEU 5 N -3.10 0.20 -0.09 0.60 2.96 -1.26 -5.11 118.68 112.87 2kta s LEU 5 Ca 0.43 0.10 -0.29 0.00 -0.22 0.00 0.00 54.13 54.15 2kta s LEU 5 Cb -0.11 1.90 -0.07 0.00 0.50 0.00 0.00 46.19 48.41 2kta s LEU 5 CO 0.26 -0.67 2.00 -1.10 -1.32 0.00 0.00 176.35 175.52 2kta s GLN 6 N -2.35 3.73 0.00 1.98 -0.21 -1.26 -3.17 119.66 118.39 2kta s GLN 6 Ca -0.06 2.27 0.00 0.00 0.02 0.00 0.00 55.36 57.59 2kta s GLN 6 Cb -0.01 -4.22 0.00 0.00 1.00 0.00 0.00 33.01 29.78 2kta s GLN 6 CO -0.01 -1.41 0.00 0.41 -2.12 0.00 0.00 175.29 172.16 2kta n GLY 7 N 4.98 0.92 0.04 3.09 0.00 -1.26 -5.03 105.19 107.93 2kta n GLY 7 Ca 0.23 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.38 2kta n GLY 7 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 2kta n GLU 8 N 0.00 0.15 -0.06 1.61 2.13 -1.19 -3.72 120.64 119.56 2kta n GLU 8 Ca 0.00 0.06 -0.07 0.00 0.66 0.00 0.00 57.16 57.81 2kta n GLU 8 Cb 0.00 -1.61 -0.01 0.00 0.27 0.00 0.00 31.44 30.09 2kta n GLU 8 CO 0.00 0.00 0.00 2.35 -0.41 0.00 0.00 177.13 179.07 2kta h TRP 9 N 0.00 -0.07 -0.93 4.31 -0.00 -1.96 0.14 115.95 117.45 2kta h TRP 9 Ca 0.00 0.02 0.09 0.00 -0.00 0.00 0.00 58.89 59.00 2kta h TRP 9 Cb 0.62 0.07 -0.07 0.00 -0.00 0.00 0.00 29.16 29.78 2kta h TRP 9 CO 0.00 -0.07 0.57 1.98 -0.00 0.00 0.00 178.44 180.92 2kta h MET 10 N 0.04 0.94 0.25 2.65 4.05 -1.99 0.23 114.93 121.09 2kta h MET 10 Ca 0.12 -0.06 -0.01 0.00 -0.28 0.00 0.00 59.70 59.47 2kta h MET 10 Cb 0.17 -0.21 0.00 0.00 -0.80 0.00 0.00 31.60 30.76 2kta h MET 10 CO -0.23 0.62 -0.12 -0.22 0.23 0.00 0.00 176.91 177.19 2kta h LYS 11 N 0.97 -0.32 -0.19 0.39 3.64 -1.49 -2.54 116.57 117.03 2kta h LYS 11 Ca 0.43 0.02 -0.01 0.00 -1.27 0.00 0.00 60.65 59.82 2kta h LYS 11 Cb 0.33 0.07 -0.01 0.00 -0.41 0.00 0.00 32.23 32.22 2kta h LYS 11 CO -0.23 0.01 0.06 -0.91 -2.27 0.00 0.00 179.45 176.12 2kta h ASN 12 N -0.70 0.23 -0.69 4.20 2.35 -0.49 -1.65 115.58 118.83 2kta h ASN 12 Ca -0.03 -0.02 -0.04 0.00 -0.55 0.00 0.00 56.30 55.66 2kta h ASN 12 Cb 0.48 -0.06 -0.03 0.00 0.05 0.00 0.00 38.32 38.76 2kta h ASN 12 CO 0.06 0.23 0.26 0.22 -1.65 0.00 0.00 177.43 176.55 2kta h TYR 13 N 0.26 1.06 -0.67 1.19 3.20 -0.44 0.24 116.97 121.82 2kta h TYR 13 Ca 0.07 -0.09 -0.03 0.00 3.14 0.00 0.00 58.73 61.82 2kta h TYR 13 Cb 0.08 -0.32 -0.03 0.00 1.54 0.00 0.00 36.73 38.01 2kta h TYR 13 CO 0.00 0.83 0.32 0.93 -1.64 0.00 0.00 178.16 178.60 2kta h GLU 14 N 0.99 0.96 -0.03 1.82 4.39 -0.87 0.10 114.58 121.94 2kta h GLU 14 Ca 0.23 -0.15 -0.00 0.00 0.34 0.00 0.00 59.36 59.78 2kta h GLU 14 Cb 0.23 -0.17 -0.00 0.00 -0.10 0.00 0.00 28.75 28.71 2kta h GLU 14 CO -0.02 0.77 0.02 0.93 -1.16 0.00 0.00 179.01 179.55 2kta h GLU 15 N 0.93 0.05 -0.04 2.33 3.07 -1.10 -2.94 114.58 116.87 2kta h GLU 15 Ca 0.23 -0.00 0.03 0.00 -0.50 0.00 0.00 59.36 59.11 2kta h GLU 15 Cb 0.13 -0.01 -0.03 0.00 -0.84 0.00 0.00 28.75 28.00 2kta h GLU 15 CO -0.03 0.08 -0.12 1.25 -1.40 0.00 0.00 179.01 178.79 2kta h LEU 16 N 0.00 -0.36 -0.22 1.33 5.85 -0.02 0.30 115.31 122.19 2kta h LEU 16 Ca 0.01 0.06 0.06 0.00 0.84 0.00 0.00 57.88 58.85 2kta h LEU 16 Cb 0.04 0.16 -0.07 0.00 0.37 0.00 0.00 40.66 41.17 2kta h LEU 16 CO -0.00 -0.17 -0.29 0.11 -0.34 0.00 0.00 178.44 177.75 2kta h LYS 17 N -0.18 -0.31 -0.27 1.25 1.57 -0.83 0.11 116.57 117.91 2kta h LYS 17 Ca 0.06 0.02 -0.01 0.00 -1.87 0.00 0.00 60.65 58.85 2kta h LYS 17 Cb 0.26 0.07 -0.01 0.00 0.08 0.00 0.00 32.23 32.63 2kta h LYS 17 CO -0.15 -0.21 0.13 1.03 -0.57 0.00 0.00 179.45 179.68 2kta h SER 18 N -0.32 0.35 -0.24 0.86 0.87 -1.31 -1.27 113.55 112.49 2kta h SER 18 Ca 0.12 -0.13 -0.11 0.00 -1.23 0.00 0.00 61.79 60.44 2kta h SER 18 Cb 0.51 -0.09 -0.00 0.00 -0.44 0.00 0.00 62.40 62.38 2kta h SER 18 CO -0.40 0.38 -0.30 0.15 -0.53 0.00 0.00 176.83 176.14 2kta h PHE 19 N 0.30 0.76 -0.45 2.24 3.57 -0.49 -1.92 116.94 120.96 2kta h PHE 19 Ca 0.09 -0.24 -0.12 0.00 3.53 0.00 0.00 57.97 61.23 2kta h PHE 19 Cb 0.12 -0.16 -0.02 0.00 2.79 0.00 0.00 35.95 38.69 2kta h PHE 19 CO -0.02 0.97 -0.18 0.28 -2.23 0.00 0.00 178.31 177.13 2kta h VAL 20 N 0.34 1.27 -0.05 1.41 2.07 -0.83 -0.73 116.25 119.72 2kta h VAL 20 Ca 0.03 -1.31 0.01 0.00 0.82 0.00 0.00 66.70 66.25 2kta h VAL 20 Cb 0.87 1.12 -0.00 0.00 -1.52 0.00 0.00 31.29 31.76 2kta h VAL 20 CO 0.07 0.45 0.04 -0.09 0.02 0.00 0.00 177.57 178.06 2kta h ARG 21 N 0.77 0.00 0.00 1.57 1.12 -1.05 0.31 114.38 117.11 2kta h ARG 21 Ca 0.11 0.00 -0.00 0.00 -1.11 0.00 0.00 59.98 58.98 2kta h ARG 21 Cb 0.72 0.00 0.00 0.00 -0.01 0.00 0.00 29.97 30.68 2kta h ARG 21 CO 0.06 0.00 -0.00 0.87 -3.11 0.00 0.00 179.97 177.78 2kta h LYS 22 N 0.00 -0.01 -0.03 0.20 6.56 -0.73 -3.43 116.57 119.14 2kta h LYS 22 Ca 0.02 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.61 2kta h LYS 22 Cb 0.10 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 31.76 2kta h LYS 22 CO -0.00 -0.00 0.00 0.66 -2.06 0.00 0.00 179.45 178.05 2kta n TYR 23 N -2.88 0.03 -0.97 -1.35 4.01 -0.34 -4.97 117.16 110.68 2kta n TYR 23 Ca -0.00 -0.04 0.00 0.00 -0.16 0.00 0.00 57.90 57.70 2kta n TYR 23 Cb 0.00 -0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.03 2kta n TYR 23 CO 0.00 0.00 0.00 0.54 -0.46 0.00 0.00 176.86 176.94 2kta n ARG 24 N 0.41 -1.44 -3.94 -0.72 5.12 0.11 -4.81 116.66 111.39 2kta n ARG 24 Ca 0.05 0.36 0.04 0.00 -1.93 0.00 0.00 57.85 56.36 2kta n ARG 24 Cb 0.21 -4.51 0.01 0.00 -1.16 0.00 0.00 32.46 27.00 2kta n ARG 24 CO 0.00 0.00 0.00 -0.98 -1.93 0.00 0.00 177.63 174.72 2kta s ARG 25 N -1.49 0.21 -0.82 5.56 1.70 -1.26 -2.06 118.95 120.79 2kta s ARG 25 Ca 0.00 -0.14 -0.07 0.00 -0.47 0.00 0.00 55.73 55.05 2kta s ARG 25 Cb 0.00 0.06 0.21 0.00 -0.57 0.00 0.00 34.95 34.65 2kta s ARG 25 CO 0.00 -0.10 0.72 -0.06 -1.08 0.00 0.00 175.30 174.78 2kta s PHE 26 N -2.04 3.75 0.06 5.89 0.08 -1.26 -4.73 117.98 119.73 2kta s PHE 26 Ca 0.28 -2.53 -0.22 0.00 0.12 0.00 0.00 56.93 54.58 2kta s PHE 26 Cb 0.01 -3.51 -0.14 0.00 -0.57 0.00 0.00 43.02 38.81 2kta s PHE 26 CO -0.02 -0.89 1.56 -1.00 -0.10 0.00 0.00 175.22 174.77 2kta h PRO 27 N 7.03 0.14 0.06 0.24 0.13 -1.98 -3.19 132.00 134.43 2kta h PRO 27 Ca 0.09 -0.03 -0.24 0.00 -0.87 0.00 0.00 66.00 64.95 2kta h PRO 27 Cb 0.94 -0.02 -0.00 0.00 0.13 0.00 0.00 31.00 32.05 2kta h PRO 27 CO 0.80 0.31 -1.08 0.87 -0.23 0.00 0.00 178.00 178.66 2kta h LYS 28 N -0.05 0.24 0.00 0.86 1.57 -2.03 -3.50 116.57 113.66 2kta h LYS 28 Ca 0.03 -0.34 0.00 0.00 -1.87 0.00 0.00 60.65 58.46 2kta h LYS 28 Cb 0.23 0.12 0.00 0.00 0.08 0.00 0.00 32.23 32.66 2kta h LYS 28 CO -0.00 1.11 0.00 0.45 -0.57 0.00 0.00 179.45 180.44 2kta n SER 29 N -3.57 -2.21 0.00 0.86 2.88 -1.21 -4.88 113.62 105.49 2kta n SER 29 Ca -0.06 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.48 2kta n SER 29 Cb 0.93 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 64.39 2kta n SER 29 CO 0.00 0.00 0.00 0.35 -1.23 0.00 0.00 175.04 174.16 2kta n THR 30 N 0.00 0.00 -1.94 2.46 -2.24 -1.26 -4.94 114.28 106.36 2kta n THR 30 Ca 0.00 0.00 -0.42 0.00 -2.27 0.00 0.00 64.05 61.36 2kta n THR 30 Cb 0.00 -0.76 -0.03 0.00 -2.10 0.00 0.00 70.33 67.44 2kta n THR 30 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 2kta s GLU 31 N -1.51 4.22 0.00 -0.78 8.01 -1.26 -4.92 118.70 122.45 2kta s GLU 31 Ca 0.00 2.35 0.00 0.00 0.01 0.00 0.00 54.97 57.33 2kta s GLU 31 Cb 0.00 -3.17 0.00 0.00 -4.31 0.00 0.00 34.13 26.65 2kta s GLU 31 CO 0.00 -0.61 0.82 0.41 0.01 0.00 0.00 175.26 175.89 2kta n GLY 32 N 3.76 -2.89 0.11 -1.39 0.00 -1.26 -0.25 105.19 103.27 2kta n GLY 32 Ca 0.14 0.24 -0.13 0.00 0.00 0.00 0.00 46.02 46.27 2kta n GLY 32 CO 0.00 0.00 0.00 3.45 0.00 0.00 0.00 173.32 176.77 2kta h ASN 33 N 0.00 0.28 0.43 1.61 -1.07 -2.00 -3.25 115.58 111.58 2kta h ASN 33 Ca 0.00 -0.50 -0.21 0.00 0.07 0.00 0.00 56.30 55.66 2kta h ASN 33 Cb 0.00 -0.08 -0.00 0.00 -2.07 0.00 0.00 38.32 36.17 2kta h ASN 33 CO 0.00 0.73 -0.89 -0.07 0.07 0.00 0.00 177.43 177.27 2kta h LEU 34 N -0.16 0.41 -0.91 6.14 3.38 -1.95 -1.41 115.31 120.82 2kta h LEU 34 Ca 0.01 -0.33 -0.01 0.00 0.09 0.00 0.00 57.88 57.65 2kta h LEU 34 Cb 0.66 -0.13 -0.04 0.00 0.09 0.00 0.00 40.66 41.24 2kta h LEU 34 CO 0.03 1.12 0.54 1.23 0.09 0.00 0.00 178.44 181.45 2kta h GLY 35 N 1.48 1.33 1.89 0.83 0.00 -0.72 -1.74 103.07 106.14 2kta h GLY 35 Ca -0.06 -0.56 -0.19 0.00 0.00 0.00 0.00 47.33 46.51 2kta h GLY 35 CO 0.15 0.55 -0.96 -1.33 0.00 0.00 0.00 176.54 174.94 2kta h GLY 36 N 1.26 0.00 0.68 4.60 0.00 -1.58 -3.20 103.07 104.83 2kta h GLY 36 Ca 0.33 0.00 -0.00 0.00 0.00 0.00 0.00 47.33 47.65 2kta h GLY 36 CO -0.06 0.00 -0.31 -0.25 0.00 0.00 0.00 176.54 175.92 2kta h TRP 37 N 0.00 -0.84 -0.61 5.60 7.01 -0.53 0.29 115.95 126.87 2kta h TRP 37 Ca -0.04 0.00 -0.04 0.00 2.11 0.00 0.00 58.89 60.93 2kta h TRP 37 Cb 1.70 0.32 -0.03 0.00 -2.10 0.00 0.00 29.16 29.06 2kta h TRP 37 CO 0.00 -0.45 0.23 0.00 -2.79 0.00 0.00 178.44 175.43 2kta h HIS 39 N 0.86 0.00 0.19 0.00 3.86 -1.50 -1.01 115.15 117.55 2kta h HIS 39 Ca 0.20 0.00 -0.34 0.00 -1.16 0.00 0.00 60.37 59.07 2kta h HIS 39 Cb 0.22 0.00 0.01 0.00 1.06 0.00 0.00 27.41 28.71 2kta h HIS 39 CO 0.01 0.23 -1.65 1.15 0.86 0.00 0.00 177.93 178.53 2kta h THR 40 N 0.00 1.06 -0.04 2.45 2.02 -0.59 -3.35 112.91 114.46 2kta h THR 40 Ca -0.00 -2.61 -0.08 0.00 0.77 0.00 0.00 66.41 64.48 2kta h THR 40 Cb 0.44 2.83 -0.01 0.00 -1.74 0.00 0.00 68.15 69.67 2kta h THR 40 CO 0.03 0.84 -0.36 1.56 0.37 0.00 0.00 175.52 177.96 2kta h GLN 41 N 0.11 0.09 -0.96 6.66 7.50 -0.74 -2.53 115.11 125.24 2kta h GLN 41 Ca -0.31 -0.03 0.14 0.00 0.50 0.00 0.00 58.65 58.95 2kta h GLN 41 Cb 2.10 -0.00 -0.08 0.00 0.05 0.00 0.00 27.48 29.55 2kta h GLN 41 CO 0.20 0.44 0.61 -0.09 -1.50 0.00 0.00 178.83 178.49 2kta h ARG 42 N 0.08 0.82 -0.21 1.46 9.65 -1.32 -0.67 114.38 124.18 2kta h ARG 42 Ca 0.01 -0.05 -0.17 0.00 -1.10 0.00 0.00 59.98 58.67 2kta h ARG 42 Cb 0.68 -0.19 -0.00 0.00 -1.39 0.00 0.00 29.97 29.07 2kta h ARG 42 CO 0.05 0.54 -0.55 -0.22 2.80 0.00 0.00 179.97 182.60 2kta h LYS 43 N 0.84 0.63 -0.85 0.20 3.11 -1.62 -1.89 116.57 117.00 2kta h LYS 43 Ca 0.49 -0.40 -0.03 0.00 -2.81 0.00 0.00 60.65 57.90 2kta h LYS 43 Cb 0.64 0.05 -0.04 0.00 -1.00 0.00 0.00 32.23 31.88 2kta h LYS 43 CO -0.26 1.01 0.40 0.52 -2.81 0.00 0.00 179.45 178.31 2kta h MET 44 N 0.48 1.23 -0.06 1.90 0.00 -1.17 -2.20 114.93 115.12 2kta h MET 44 Ca 0.01 -0.19 -0.03 0.00 0.00 0.00 0.00 59.70 59.50 2kta h MET 44 Cb 1.10 -0.22 -0.00 0.00 0.00 0.00 0.00 31.60 32.49 2kta h MET 44 CO 0.11 0.95 -0.07 -0.09 0.00 0.00 0.00 176.91 177.80 2kta h ARG 45 N 1.21 0.15 0.00 1.72 1.12 -0.98 -1.19 114.38 116.42 2kta h ARG 45 Ca 0.29 -0.09 -0.02 0.00 -1.11 0.00 0.00 59.98 59.06 2kta h ARG 45 Cb 0.13 0.01 -0.00 0.00 -0.01 0.00 0.00 29.97 30.10 2kta h ARG 45 CO -0.03 0.62 -0.08 1.57 -3.11 0.00 0.00 179.97 178.94 2kta h LYS 46 N -0.31 0.00 -0.01 0.20 2.10 -1.34 0.16 116.57 117.38 2kta h LYS 46 Ca 0.01 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.66 2kta h LYS 46 Cb 0.60 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.93 2kta h LYS 46 CO 0.02 0.08 -0.05 1.04 -2.00 0.00 0.00 179.45 178.53 2kta n GLN 47 N -3.71 1.29 -2.52 0.07 6.02 -0.83 -4.93 117.38 112.77 2kta n GLN 47 Ca -0.02 -0.62 -0.20 0.00 -0.01 0.00 0.00 57.00 56.15 2kta n GLN 47 Cb 0.18 -1.49 -0.00 0.00 1.02 0.00 0.00 30.24 29.95 2kta n GLN 47 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2kta n GLY 48 N 1.18 -0.50 0.04 1.08 0.00 0.58 -4.83 105.19 102.73 2kta n GLY 48 Ca 0.18 0.02 0.01 0.00 0.00 0.00 0.00 46.02 46.23 2kta n GLY 48 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 2kta n LYS 49 N -3.17 -0.24 -1.84 1.61 -0.00 -0.52 -5.01 118.16 108.98 2kta n LYS 49 Ca -0.21 -0.52 -0.41 0.00 -0.00 0.00 0.00 58.31 57.17 2kta n LYS 49 Cb 0.67 -0.98 -0.00 0.00 -0.00 0.00 0.00 35.03 34.71 2kta n LYS 49 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.40 176.23 2kta s LEU 50 N -0.25 4.32 0.50 -5.58 0.20 -1.05 -4.99 118.68 111.84 2kta s LEU 50 Ca 0.01 3.00 -0.20 0.00 0.69 0.00 0.00 54.13 57.63 2kta s LEU 50 Cb 0.01 -3.69 -0.08 0.00 -0.43 0.00 0.00 46.19 42.00 2kta s LEU 50 CO 0.02 -0.85 1.06 -2.16 -0.29 0.00 0.00 176.35 174.12 2kta s PRO 51 N -2.09 3.69 0.32 0.98 0.04 -1.26 -4.95 135.00 131.73 2kta s PRO 51 Ca 0.53 1.41 0.11 0.00 0.04 0.00 0.00 61.00 63.09 2kta s PRO 51 Cb -0.45 -2.07 0.55 0.00 0.04 0.00 0.00 34.50 32.56 2kta s PRO 51 CO 0.61 -0.54 1.73 -0.97 0.04 0.00 0.00 177.00 177.88 2kta h ASN 52 N 1.44 0.02 0.09 6.66 -1.24 -1.99 -2.80 115.58 117.76 2kta h ASN 52 Ca -0.49 -0.01 -0.00 0.00 0.71 0.00 0.00 56.30 56.50 2kta h ASN 52 Cb 1.23 -0.01 0.00 0.00 0.73 0.00 0.00 38.32 40.27 2kta h ASN 52 CO 0.58 0.50 -0.04 0.44 -1.29 0.00 0.00 177.43 177.62 2kta h ASP 53 N 0.02 -0.11 0.12 1.15 5.19 -1.98 -1.14 116.42 119.67 2kta h ASP 53 Ca -0.00 -0.39 0.01 0.00 -0.62 0.00 0.00 57.03 56.03 2kta h ASP 53 Cb 0.85 0.03 -0.03 0.00 0.18 0.00 0.00 39.33 40.36 2kta h ASP 53 CO 0.06 0.37 -0.21 -0.09 -3.12 0.00 0.00 179.24 176.25 2kta h ARG 54 N -0.61 -0.39 0.00 3.56 9.65 -1.96 0.03 114.38 124.66 2kta h ARG 54 Ca -0.01 0.03 -0.03 0.00 -1.10 0.00 0.00 59.98 58.87 2kta h ARG 54 Cb 0.49 0.09 -0.00 0.00 -1.39 0.00 0.00 29.97 29.16 2kta h ARG 54 CO 0.02 -0.26 -0.13 0.07 2.80 0.00 0.00 179.97 182.47 2kta h ARG 55 N -0.40 0.00 -0.10 0.20 -0.00 -1.53 -1.11 114.38 111.44 2kta h ARG 55 Ca 0.02 0.00 -0.22 0.00 -0.00 0.00 0.00 59.98 59.78 2kta h ARG 55 Cb 0.41 0.00 0.01 0.00 -0.00 0.00 0.00 29.97 30.39 2kta h ARG 55 CO -0.11 0.13 -0.82 1.25 -0.00 0.00 0.00 179.97 180.43 2kta h LEU 56 N 0.00 0.82 -0.60 0.08 5.85 -0.54 -2.21 115.31 118.70 2kta h LEU 56 Ca -0.00 -0.56 0.02 0.00 0.84 0.00 0.00 57.88 58.18 2kta h LEU 56 Cb 0.39 -0.24 -0.03 0.00 0.37 0.00 0.00 40.66 41.14 2kta h LEU 56 CO 0.02 1.35 0.38 -0.07 -0.34 0.00 0.00 178.44 179.78 2kta h LEU 57 N 0.44 0.65 -0.62 2.25 3.38 0.20 0.10 115.31 121.72 2kta h LEU 57 Ca -0.06 -0.01 -0.02 0.00 0.09 0.00 0.00 57.88 57.88 2kta h LEU 57 Cb 1.44 -0.15 -0.03 0.00 0.09 0.00 0.00 40.66 42.01 2kta h LEU 57 CO 0.16 0.46 0.32 -0.07 0.09 0.00 0.00 178.44 179.40 2kta h LEU 58 N 0.77 0.79 -0.90 1.67 -0.00 -1.31 -2.14 115.31 114.19 2kta h LEU 58 Ca 0.23 -0.11 -0.11 0.00 -0.00 0.00 0.00 57.88 57.89 2kta h LEU 58 Cb -0.04 -0.20 -0.01 0.00 -0.00 0.00 0.00 40.66 40.41 2kta h LEU 58 CO -0.07 0.68 -0.35 -0.78 -0.00 0.00 0.00 178.44 177.91 2kta h ASP 59 N 0.84 0.39 -0.65 -0.43 3.58 -0.92 0.35 116.42 119.58 2kta h ASP 59 Ca 0.21 -0.15 -0.05 0.00 0.42 0.00 0.00 57.03 57.46 2kta h ASP 59 Cb 0.08 -0.11 -0.03 0.00 1.72 0.00 0.00 39.33 41.00 2kta h ASP 59 CO -0.03 0.72 0.20 0.11 -2.88 0.00 0.00 179.24 177.35 2kta h LYS 60 N 0.32 1.02 -0.00 0.28 6.56 -0.43 -1.78 116.57 122.54 2kta h LYS 60 Ca 0.04 -0.23 0.00 0.00 -1.06 0.00 0.00 60.65 59.40 2kta h LYS 60 Cb 0.78 -0.14 0.00 0.00 -0.57 0.00 0.00 32.23 32.29 2kta h LYS 60 CO 0.06 0.90 -0.09 0.44 -2.06 0.00 0.00 179.45 178.70 2kta n ILE 61 N -4.34 0.00 -1.71 1.86 -5.35 -0.84 -4.93 119.36 104.06 2kta n ILE 61 Ca 0.04 -0.03 0.00 0.00 -0.27 0.00 0.00 62.75 62.49 2kta n ILE 61 Cb 0.22 -0.23 0.00 0.00 -1.74 0.00 0.00 39.64 37.89 2kta n ILE 61 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2kta n GLY 62 N 1.32 0.90 3.74 3.28 0.00 -0.51 -4.32 105.19 109.60 2kta n GLY 62 Ca 0.13 -0.46 -0.41 0.00 0.00 0.00 0.00 46.02 45.28 2kta n GLY 62 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 2kta s PHE 63 N -2.66 3.82 -0.21 1.61 5.36 0.11 -4.67 117.98 121.34 2kta s PHE 63 Ca 0.00 1.74 -0.20 0.00 -0.96 0.00 0.00 56.93 57.51 2kta s PHE 63 Cb 0.00 -2.98 -0.03 0.00 -0.34 0.00 0.00 43.02 39.67 2kta s PHE 63 CO 0.00 0.27 0.58 0.08 -1.46 0.00 0.00 175.22 174.69 2kta s VAL 64 N -0.22 5.05 -0.09 3.12 1.01 -0.88 -4.65 120.40 123.75 2kta s VAL 64 Ca 0.44 1.08 0.14 0.00 0.00 0.00 0.00 61.98 63.64 2kta s VAL 64 Cb -0.23 -3.90 -0.06 0.00 0.00 0.00 0.00 36.38 32.19 2kta s VAL 64 CO 0.28 0.13 1.21 -0.50 0.00 0.00 0.00 175.10 176.22 2kta h TRP 65 N 7.54 0.00 -3.55 5.22 4.06 -1.96 -3.47 115.95 123.79 2kta h TRP 65 Ca -0.32 0.00 0.00 0.00 2.06 0.00 0.00 58.89 60.63 2kta h TRP 65 Cb 1.15 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 29.31 2kta h TRP 65 CO 0.71 0.65 -0.73 0.43 -3.56 0.00 0.00 178.44 175.94 2kta n SER 66 N -3.15 -7.35 -4.74 -3.49 7.64 -1.26 -4.98 113.62 96.28 2kta n SER 66 Ca -0.02 1.06 -0.35 0.00 1.01 0.00 0.00 58.87 60.56 2kta n SER 66 Cb 0.82 -4.10 -0.08 0.00 -1.01 0.00 0.00 64.21 59.84 2kta n SER 66 CO 0.00 0.00 0.00 -0.22 -3.01 0.00 0.00 175.04 171.81 2kta s LEU 67 N -0.45 4.23 0.14 -3.43 2.96 -1.26 -5.06 118.68 115.81 2kta s LEU 67 Ca 0.00 0.27 -0.30 0.00 -0.22 0.00 0.00 54.13 53.87 2kta s LEU 67 Cb 0.00 -2.10 -0.07 0.00 0.50 0.00 0.00 46.19 44.52 2kta s LEU 67 CO 0.00 0.20 1.17 -1.61 -1.32 0.00 0.00 176.35 174.79 2kta s GLU 68 N 0.24 4.50 0.85 1.98 2.02 -1.26 -5.03 118.70 122.01 2kta s GLU 68 Ca 0.09 1.80 -0.14 0.00 0.02 0.00 0.00 54.97 56.75 2kta s GLU 68 Cb -0.11 -3.28 0.19 0.00 0.10 0.00 0.00 34.13 31.03 2kta s GLU 68 CO -0.01 -0.10 1.16 0.72 0.02 0.00 0.00 175.26 177.05 2kta n HIS 69 N 2.91 -3.92 -2.72 1.61 8.25 -1.26 -5.04 115.22 115.05 2kta n HIS 69 Ca 0.05 -1.08 -0.34 0.00 -0.26 0.00 0.00 57.72 56.09 2kta n HIS 69 Cb 0.46 -0.89 -0.06 0.00 1.12 0.00 0.00 29.99 30.62 2kta n HIS 69 CO 0.00 0.00 0.00 -1.58 0.64 0.00 0.00 176.34 175.40 2kta s HIS 70 N -3.51 3.22 0.23 4.41 2.46 -1.26 -5.06 115.29 115.79 2kta s HIS 70 Ca 0.66 1.61 -0.05 0.00 0.47 0.00 0.00 55.06 57.75 2kta s HIS 70 Cb -0.02 -2.94 -0.06 0.00 -0.13 0.00 0.00 32.58 29.44 2kta s HIS 70 CO 0.46 -0.35 0.49 -1.01 -2.47 0.00 0.00 174.74 171.86 2kta s HIS 71 N -2.07 3.47 -1.34 3.88 3.76 -1.26 -5.00 115.29 116.73 2kta s HIS 71 Ca 0.63 0.63 -0.12 0.00 -0.15 0.00 0.00 55.06 56.05 2kta s HIS 71 Cb -0.12 -2.08 0.12 0.00 1.11 0.00 0.00 32.58 31.60 2kta s HIS 71 CO 0.16 0.28 1.95 0.72 -0.85 0.00 0.00 174.74 177.00 2kta n HIS 72 N -0.50 3.43 -3.62 1.40 8.25 -1.26 -4.80 115.22 118.12 2kta n HIS 72 Ca -0.02 -2.91 -0.05 0.00 -0.26 0.00 0.00 57.72 54.49 2kta n HIS 72 Cb 0.53 -2.22 -0.04 0.00 1.12 0.00 0.00 29.99 29.37 2kta n HIS 72 CO 0.00 0.00 0.00 -3.38 0.64 0.00 0.00 176.34 173.60 2kta s HIS 73 N 1.71 -0.14 0.00 4.41 -3.43 -1.26 -5.38 115.29 111.20 2kta s HIS 73 Ca 0.43 0.24 0.00 0.00 -0.80 0.00 0.00 55.06 54.93 2kta s HIS 73 Cb 0.10 0.48 0.00 0.00 -1.43 0.00 0.00 32.58 31.73 2kta s HIS 73 CO -0.02 -0.13 0.49 0.72 -2.00 0.00 0.00 174.74 173.80