#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kta s ASN 2 N 0.00 3.47 -0.00 7.83 0.01 -1.26 -4.92 114.94 120.07 2kta s ASN 2 Ca 0.00 -1.23 0.01 0.00 -0.71 0.00 0.00 52.86 50.93 2kta s ASN 2 Cb 0.00 -0.67 -0.01 0.00 0.41 0.00 0.00 41.25 40.98 2kta s ASN 2 CO 0.00 -0.37 0.01 0.00 -1.51 0.00 0.00 177.10 175.23 2kta n GLN 3 N 5.00 1.30 -4.43 -0.60 3.00 -1.26 -4.99 117.38 115.41 2kta n GLN 3 Ca -0.06 -0.00 -0.29 0.00 -0.01 0.00 0.00 57.00 56.63 2kta n GLN 3 Cb 0.44 -1.01 -0.12 0.00 0.00 0.00 0.00 30.24 29.54 2kta n GLN 3 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.06 176.26 2kta s ASN 4 N -2.40 3.58 -1.27 1.08 0.02 -1.26 -4.67 114.94 110.03 2kta s ASN 4 Ca -0.00 -0.63 -0.04 0.00 -1.02 0.00 0.00 52.86 51.17 2kta s ASN 4 Cb 0.00 -0.40 0.00 0.00 0.02 0.00 0.00 41.25 40.88 2kta s ASN 4 CO 0.02 0.19 1.08 0.18 0.02 0.00 0.00 177.10 178.60 2kta n LEU 5 N 1.01 -3.74 0.00 0.60 4.32 -1.26 -5.00 117.00 112.92 2kta n LEU 5 Ca -0.17 -0.58 0.00 0.00 -0.02 0.00 0.00 56.01 55.24 2kta n LEU 5 Cb 0.53 -3.07 0.00 0.00 -1.62 0.00 0.00 43.42 39.25 2kta n LEU 5 CO 0.26 0.51 0.00 0.00 -1.22 0.00 0.00 177.39 176.93 2kta n GLN 6 N -4.51 -0.53 -0.92 3.23 10.64 -1.26 -4.83 117.38 119.20 2kta n GLN 6 Ca -0.15 0.00 -0.20 0.00 -1.83 0.00 0.00 57.00 54.82 2kta n GLN 6 Cb 0.62 0.00 -0.08 0.00 -0.86 0.00 0.00 30.24 29.92 2kta n GLN 6 CO 0.00 0.00 0.00 0.41 -1.83 0.00 0.00 177.06 175.64 2kta n GLY 7 N 3.64 3.13 0.13 2.61 0.00 -1.26 -4.34 105.19 109.11 2kta n GLY 7 Ca 0.00 -1.08 -0.09 0.00 0.00 0.00 0.00 46.02 44.85 2kta n GLY 7 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 2kta h GLU 8 N 4.54 0.22 -0.53 1.61 4.57 -2.01 -3.32 114.58 119.66 2kta h GLU 8 Ca 0.41 -0.24 0.11 0.00 -1.18 0.00 0.00 59.36 58.46 2kta h GLU 8 Cb 0.75 0.07 -0.10 0.00 -0.16 0.00 0.00 28.75 29.30 2kta h GLU 8 CO 0.92 0.97 -0.16 2.35 -1.18 0.00 0.00 179.01 181.91 2kta h TRP 9 N 0.12 -0.37 -0.97 0.92 -0.00 -1.98 0.21 115.95 113.88 2kta h TRP 9 Ca -0.05 0.05 0.14 0.00 -0.00 0.00 0.00 58.89 59.04 2kta h TRP 9 Cb 1.52 0.25 -0.08 0.00 -0.00 0.00 0.00 29.16 30.84 2kta h TRP 9 CO 0.03 -0.26 0.61 1.98 -0.00 0.00 0.00 178.44 180.81 2kta h MET 10 N -0.03 0.82 -0.02 2.65 4.05 -1.94 0.29 114.93 120.75 2kta h MET 10 Ca 0.25 -0.05 -0.21 0.00 -0.28 0.00 0.00 59.70 59.42 2kta h MET 10 Cb 0.43 -0.19 0.02 0.00 -0.80 0.00 0.00 31.60 31.06 2kta h MET 10 CO -0.57 0.54 -0.80 -0.22 0.23 0.00 0.00 176.91 176.09 2kta h LYS 11 N 0.85 0.59 -0.90 0.39 3.11 -1.34 -3.10 116.57 116.17 2kta h LYS 11 Ca 0.50 -0.60 0.03 0.00 -2.81 0.00 0.00 60.65 57.77 2kta h LYS 11 Cb 0.66 0.16 -0.05 0.00 -1.00 0.00 0.00 32.23 32.00 2kta h LYS 11 CO -0.27 1.21 0.59 -0.91 -2.81 0.00 0.00 179.45 177.27 2kta h ASN 12 N 0.20 0.98 -0.17 4.20 2.35 0.11 0.40 115.58 123.65 2kta h ASN 12 Ca -0.09 -0.01 -0.00 0.00 -0.55 0.00 0.00 56.30 55.64 2kta h ASN 12 Cb 1.48 -0.23 -0.01 0.00 0.05 0.00 0.00 38.32 39.61 2kta h ASN 12 CO 0.16 0.68 0.10 0.22 -1.65 0.00 0.00 177.43 176.95 2kta h TYR 13 N 1.15 0.23 -0.64 1.19 3.20 -0.55 0.14 116.97 121.69 2kta h TYR 13 Ca 0.35 -0.00 -0.07 0.00 3.14 0.00 0.00 58.73 62.15 2kta h TYR 13 Cb -0.01 -0.07 -0.03 0.00 1.54 0.00 0.00 36.73 38.16 2kta h TYR 13 CO -0.00 0.19 0.12 0.93 -1.64 0.00 0.00 178.16 177.76 2kta h GLU 14 N 0.20 1.03 -0.48 1.82 4.39 -1.27 -1.51 114.58 118.76 2kta h GLU 14 Ca 0.06 -0.25 0.00 0.00 0.34 0.00 0.00 59.36 59.51 2kta h GLU 14 Cb 0.03 -0.13 -0.02 0.00 -0.10 0.00 0.00 28.75 28.52 2kta h GLU 14 CO -0.01 0.93 0.31 1.49 -1.16 0.00 0.00 179.01 180.57 2kta h GLU 15 N 0.97 0.63 -0.31 2.33 4.57 0.08 -0.88 114.58 121.98 2kta h GLU 15 Ca 0.20 -0.04 0.02 0.00 -1.18 0.00 0.00 59.36 58.35 2kta h GLU 15 Cb 0.39 -0.14 -0.02 0.00 -0.16 0.00 0.00 28.75 28.82 2kta h GLU 15 CO 0.01 0.43 0.17 1.25 -1.18 0.00 0.00 179.01 179.69 2kta h LEU 16 N 0.64 0.26 0.19 1.64 5.85 -0.40 0.18 115.31 123.68 2kta h LEU 16 Ca 0.17 0.01 0.01 0.00 0.84 0.00 0.00 57.88 58.91 2kta h LEU 16 Cb -0.05 -0.05 -0.03 0.00 0.37 0.00 0.00 40.66 40.90 2kta h LEU 16 CO -0.04 0.19 -0.32 0.11 -0.34 0.00 0.00 178.44 178.05 2kta h LYS 17 N 0.35 -0.57 -0.43 1.25 1.57 -0.89 0.39 116.57 118.24 2kta h LYS 17 Ca 0.12 0.04 0.06 0.00 -1.87 0.00 0.00 60.65 59.00 2kta h LYS 17 Cb 0.02 0.13 -0.05 0.00 0.08 0.00 0.00 32.23 32.41 2kta h LYS 17 CO -0.07 -0.38 0.14 1.03 -0.57 0.00 0.00 179.45 179.60 2kta h SER 18 N -0.59 0.13 -0.22 0.86 0.87 -1.00 0.32 113.55 113.93 2kta h SER 18 Ca 0.01 0.06 -0.03 0.00 -1.23 0.00 0.00 61.79 60.60 2kta h SER 18 Cb 0.59 0.05 -0.01 0.00 -0.44 0.00 0.00 62.40 62.59 2kta h SER 18 CO -0.15 0.10 0.03 0.15 -0.53 0.00 0.00 176.83 176.44 2kta h PHE 19 N 0.30 0.39 -0.13 2.24 3.57 -0.24 -2.24 116.94 120.83 2kta h PHE 19 Ca 0.20 -0.05 -0.10 0.00 3.53 0.00 0.00 57.97 61.55 2kta h PHE 19 Cb 0.21 -0.11 -0.01 0.00 2.79 0.00 0.00 35.95 38.83 2kta h PHE 19 CO -0.17 0.50 -0.35 -0.24 -2.23 0.00 0.00 178.31 175.82 2kta h VAL 20 N 0.16 1.29 0.00 1.41 3.04 -0.07 -1.81 116.25 120.27 2kta h VAL 20 Ca 0.07 -1.38 0.00 0.00 -1.01 0.00 0.00 66.70 64.37 2kta h VAL 20 Cb 0.33 1.58 0.00 0.00 -2.01 0.00 0.00 31.29 31.19 2kta h VAL 20 CO 0.00 0.42 0.00 -0.09 -1.01 0.00 0.00 177.57 176.89 2kta h ARG 21 N 0.22 0.00 0.00 4.17 1.12 -0.73 0.21 114.38 119.37 2kta h ARG 21 Ca 0.03 0.00 0.00 0.00 -1.11 0.00 0.00 59.98 58.90 2kta h ARG 21 Cb 0.73 0.00 0.00 0.00 -0.01 0.00 0.00 29.97 30.69 2kta h ARG 21 CO 0.06 0.00 -0.22 0.87 -3.11 0.00 0.00 179.97 177.57 2kta h LYS 22 N 0.00 0.00 0.00 0.20 1.57 -0.73 -3.40 116.57 114.21 2kta h LYS 22 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 2kta h LYS 22 Cb 0.52 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.83 2kta h LYS 22 CO 0.00 0.00 -1.63 0.66 -0.57 0.00 0.00 179.45 177.91 2kta n TYR 23 N -4.31 0.25 -2.63 -1.35 4.01 -0.95 -5.04 117.16 107.14 2kta n TYR 23 Ca -0.03 0.07 -0.02 0.00 -0.16 0.00 0.00 57.90 57.76 2kta n TYR 23 Cb 0.11 -0.58 -0.02 0.00 -0.31 0.00 0.00 39.34 38.55 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 -2.29 -3.79 -1.11 -0.72 3.00 0.74 -4.93 116.66 107.56 2kta n ARG 24 Ca -0.02 2.97 0.11 0.00 -0.01 0.00 0.00 57.85 60.90 2kta n ARG 24 Cb 0.54 -5.14 -0.06 0.00 0.00 0.00 0.00 32.46 27.80 2kta n ARG 24 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.63 175.50 2kta n ARG 25 N 1.03 -2.64 -4.93 5.56 0.63 -1.25 -4.71 116.66 110.36 2kta n ARG 25 Ca -0.15 2.15 -0.30 0.00 -0.92 0.00 0.00 57.85 58.62 2kta n ARG 25 Cb 0.23 -3.00 -0.15 0.00 0.45 0.00 0.00 32.46 30.00 2kta n ARG 25 CO 0.00 0.00 0.00 -0.59 -2.51 0.00 0.00 177.63 174.53 2kta s PHE 26 N -4.16 2.36 -0.07 -0.14 -0.12 -1.26 -4.97 117.98 109.62 2kta s PHE 26 Ca 0.00 -0.39 -0.20 0.00 -0.05 0.00 0.00 56.93 56.29 2kta s PHE 26 Cb 0.00 -1.42 -0.15 0.00 -0.63 0.00 0.00 43.02 40.82 2kta s PHE 26 CO 0.00 0.12 0.75 -1.35 -0.05 0.00 0.00 175.22 174.69 2kta h PRO 27 N 4.86 -0.15 -1.68 1.99 0.11 -2.00 -3.45 132.00 131.68 2kta h PRO 27 Ca -0.46 0.01 -0.19 0.00 0.11 0.00 0.00 66.00 65.47 2kta h PRO 27 Cb 1.14 0.03 -0.28 0.00 0.11 0.00 0.00 31.00 32.00 2kta h PRO 27 CO 0.45 0.31 -0.54 0.21 -0.21 0.00 0.00 178.00 178.21 2kta s LYS 28 N -3.01 0.45 -0.12 1.05 2.20 -1.26 -5.15 119.74 113.90 2kta s LYS 28 Ca -0.12 0.06 -0.04 0.00 -0.36 0.00 0.00 55.97 55.51 2kta s LYS 28 Cb -0.00 -0.31 -0.03 0.00 -1.51 0.00 0.00 37.83 35.98 2kta s LYS 28 CO 0.45 -1.05 0.03 0.45 -0.36 0.00 0.00 175.35 174.86 2kta s SER 29 N 2.45 5.43 -0.07 1.43 0.15 -1.26 -4.94 113.70 116.88 2kta s SER 29 Ca 0.10 0.15 0.12 0.00 0.70 0.00 0.00 55.95 57.02 2kta s SER 29 Cb -0.12 -1.68 0.23 0.00 -1.71 0.00 0.00 66.02 62.74 2kta s SER 29 CO -0.28 0.32 1.11 0.35 1.20 0.00 0.00 173.24 175.95 2kta n THR 30 N 2.53 0.93 -2.76 6.45 -2.24 -1.26 -4.32 114.28 113.62 2kta n THR 30 Ca -0.18 -1.39 -0.43 0.00 -2.27 0.00 0.00 64.05 59.78 2kta n THR 30 Cb 0.53 0.24 -0.02 0.00 -2.10 0.00 0.00 70.33 68.99 2kta n THR 30 CO 0.00 0.00 0.00 -0.70 -0.57 0.00 0.00 175.07 173.80 2kta s GLU 31 N -1.40 3.76 2.89 -0.78 2.56 -1.26 -4.58 118.70 119.88 2kta s GLU 31 Ca 0.22 -1.76 0.00 0.00 0.00 0.00 0.00 54.97 53.42 2kta s GLU 31 Cb 0.21 -5.19 0.00 0.00 2.00 0.00 0.00 34.13 31.15 2kta s GLU 31 CO -0.03 -1.99 0.00 0.41 -0.56 0.00 0.00 175.26 173.09 2kta n GLY 32 N 5.64 1.43 0.20 -1.50 0.00 -1.26 -1.49 105.19 108.22 2kta n GLY 32 Ca 0.34 0.54 -0.09 0.00 0.00 0.00 0.00 46.02 46.80 2kta n GLY 32 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 2kta h ASN 33 N 0.00 0.59 1.14 1.61 2.35 -2.00 -2.33 115.58 116.94 2kta h ASN 33 Ca 0.00 -0.18 -0.08 0.00 -0.55 0.00 0.00 56.30 55.49 2kta h ASN 33 Cb 0.00 -0.15 -0.01 0.00 0.05 0.00 0.00 38.32 38.21 2kta h ASN 33 CO 0.00 0.61 -0.37 -0.07 -1.65 0.00 0.00 177.43 175.95 2kta h LEU 34 N 0.53 0.00 -1.20 1.61 -0.00 -1.65 -2.82 115.31 111.79 2kta h LEU 34 Ca 0.14 0.00 -0.03 0.00 -0.00 0.00 0.00 57.88 57.99 2kta h LEU 34 Cb 0.21 0.00 -0.03 0.00 -0.00 0.00 0.00 40.66 40.84 2kta h LEU 34 CO -0.01 0.37 0.20 1.23 -0.00 0.00 0.00 178.44 180.23 2kta h GLY 35 N 2.65 0.81 1.48 0.83 0.00 -1.06 0.01 103.07 107.80 2kta h GLY 35 Ca -0.00 -0.41 -0.21 0.00 0.00 0.00 0.00 47.33 46.71 2kta h GLY 35 CO 0.05 0.39 -0.83 -1.33 0.00 0.00 0.00 176.54 174.82 2kta h GLY 36 N 0.89 0.55 0.89 4.60 0.00 -1.24 -2.24 103.07 106.52 2kta h GLY 36 Ca 0.18 -0.84 0.01 0.00 0.00 0.00 0.00 47.33 46.68 2kta h GLY 36 CO -0.02 0.75 -0.01 1.49 0.00 0.00 0.00 176.54 178.76 2kta h TRP 37 N 0.32 -0.01 -0.92 5.60 4.06 -1.24 -0.56 115.95 123.20 2kta h TRP 37 Ca -0.06 0.01 -0.01 0.00 2.06 0.00 0.00 58.89 60.89 2kta h TRP 37 Cb 1.44 0.02 -0.04 0.00 -1.00 0.00 0.00 29.16 29.57 2kta h TRP 37 CO 0.06 -0.01 0.53 0.00 -3.56 0.00 0.00 178.44 175.46 2kta h HIS 39 N 1.27 0.38 0.00 0.00 3.86 -1.16 -3.24 115.15 116.26 2kta h HIS 39 Ca 0.33 -0.11 -0.01 0.00 -1.16 0.00 0.00 60.37 59.42 2kta h HIS 39 Cb -0.02 -0.08 -0.00 0.00 1.06 0.00 0.00 27.41 28.37 2kta h HIS 39 CO 0.01 0.72 -0.07 1.15 0.86 0.00 0.00 177.93 180.60 2kta h THR 40 N -0.07 0.43 0.00 2.45 2.02 -1.01 -3.39 112.91 113.34 2kta h THR 40 Ca 0.02 -1.33 0.00 0.00 0.77 0.00 0.00 66.41 65.87 2kta h THR 40 Cb 0.66 0.82 0.00 0.00 -1.74 0.00 0.00 68.15 67.88 2kta h THR 40 CO 0.03 0.14 -0.01 1.56 0.37 0.00 0.00 175.52 177.61 2kta h GLN 41 N -1.00 0.00 -0.14 6.66 4.20 -1.45 -2.80 115.11 120.57 2kta h GLN 41 Ca -0.01 0.00 -0.06 0.00 0.06 0.00 0.00 58.65 58.64 2kta h GLN 41 Cb 0.29 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.06 2kta h GLN 41 CO -0.01 0.00 -0.18 -0.09 -0.67 0.00 0.00 178.83 177.88 2kta h ARG 42 N 0.00 0.24 0.02 1.46 1.12 -1.67 -1.73 114.38 113.82 2kta h ARG 42 Ca 0.00 -0.06 -0.11 0.00 -1.11 0.00 0.00 59.98 58.70 2kta h ARG 42 Cb 0.92 -0.03 0.01 0.00 -0.01 0.00 0.00 29.97 30.87 2kta h ARG 42 CO 0.00 0.42 -0.44 -0.22 -3.11 0.00 0.00 179.97 176.62 2kta h LYS 43 N 0.22 0.27 -0.01 0.20 3.64 -1.69 -3.28 116.57 115.93 2kta h LYS 43 Ca 0.04 -0.31 0.00 0.00 -1.27 0.00 0.00 60.65 59.11 2kta h LYS 43 Cb 0.46 0.09 -0.00 0.00 -0.41 0.00 0.00 32.23 32.37 2kta h LYS 43 CO 0.03 1.03 0.01 0.52 -2.27 0.00 0.00 179.45 178.77 2kta h MET 44 N -0.36 0.00 -0.07 1.90 0.00 -1.37 -1.04 114.93 113.99 2kta h MET 44 Ca -0.06 0.00 -0.01 0.00 0.00 0.00 0.00 59.70 59.63 2kta h MET 44 Cb 1.20 0.00 -0.00 0.00 0.00 0.00 0.00 31.60 32.80 2kta h MET 44 CO 0.09 0.00 0.02 -0.09 0.00 0.00 0.00 176.91 176.92 2kta h ARG 45 N 0.00 0.12 -0.30 1.72 2.43 -1.38 0.16 114.38 117.13 2kta h ARG 45 Ca 0.00 -0.03 -0.07 0.00 -0.81 0.00 0.00 59.98 59.07 2kta h ARG 45 Cb 0.01 -0.01 -0.02 0.00 -0.42 0.00 0.00 29.97 29.53 2kta h ARG 45 CO -0.00 0.33 -0.13 -0.22 -1.51 0.00 0.00 179.97 178.44 2kta h LYS 46 N -0.10 0.52 -0.02 0.20 3.11 -1.40 -1.81 116.57 117.07 2kta h LYS 46 Ca 0.02 -0.15 0.00 0.00 -2.81 0.00 0.00 60.65 57.71 2kta h LYS 46 Cb 0.26 -0.05 0.00 0.00 -1.00 0.00 0.00 32.23 31.44 2kta h LYS 46 CO 0.00 0.64 0.00 1.04 -2.81 0.00 0.00 179.45 178.32 2kta n GLN 47 N -4.19 1.26 -2.95 1.90 6.02 -0.48 -4.91 117.38 114.02 2kta n GLN 47 Ca 0.01 -0.38 -0.22 0.00 -0.01 0.00 0.00 57.00 56.40 2kta n GLN 47 Cb 0.33 -1.45 0.03 0.00 1.02 0.00 0.00 30.24 30.17 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 1.03 -0.52 0.04 1.08 0.00 -0.26 -4.85 105.19 101.71 2kta n GLY 48 Ca 0.20 0.11 0.00 0.00 0.00 0.00 0.00 46.02 46.34 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 -3.88 -0.13 -1.86 1.61 2.85 0.39 -5.02 118.16 112.12 2kta n LYS 49 Ca -0.13 -0.75 -0.40 0.00 -1.05 0.00 0.00 58.31 55.99 2kta n LYS 49 Cb 0.63 -1.02 0.01 0.00 -0.65 0.00 0.00 35.03 34.00 2kta n LYS 49 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 177.40 176.84 2kta s LEU 50 N -0.25 4.18 -0.01 -5.58 1.43 -0.94 -4.95 118.68 112.55 2kta s LEU 50 Ca 0.01 2.89 -0.30 0.00 -1.03 0.00 0.00 54.13 55.70 2kta s LEU 50 Cb 0.01 -3.88 -0.07 0.00 0.03 0.00 0.00 46.19 42.28 2kta s LEU 50 CO 0.01 -1.04 1.75 -2.84 0.23 0.00 0.00 176.35 174.45 2kta s PRO 51 N -2.33 4.17 0.45 1.29 0.02 -1.26 -4.88 135.00 132.46 2kta s PRO 51 Ca 0.58 2.34 0.15 0.00 0.02 0.00 0.00 61.00 64.09 2kta s PRO 51 Cb -0.43 -3.99 1.09 0.00 0.02 0.00 0.00 34.50 31.20 2kta s PRO 51 CO 0.56 -0.86 2.00 -0.97 -0.33 0.00 0.00 177.00 177.40 2kta h ASN 52 N 9.69 0.29 -0.89 2.53 -0.73 -2.00 -0.23 115.58 124.24 2kta h ASN 52 Ca -0.43 0.01 0.04 0.00 1.87 0.00 0.00 56.30 57.79 2kta h ASN 52 Cb 1.20 -0.06 -0.06 0.00 0.27 0.00 0.00 38.32 39.68 2kta h ASN 52 CO 0.95 0.18 0.57 0.44 -0.37 0.00 0.00 177.43 179.19 2kta h ASP 53 N 0.32 0.94 0.02 1.15 3.32 -2.00 -1.91 116.42 118.26 2kta h ASP 53 Ca 0.25 -0.00 -0.00 0.00 0.02 0.00 0.00 57.03 57.29 2kta h ASP 53 Cb 0.54 -0.20 0.00 0.00 0.22 0.00 0.00 39.33 39.88 2kta h ASP 53 CO -0.06 0.63 -0.01 0.03 -1.72 0.00 0.00 179.24 178.12 2kta h ARG 54 N 1.09 -0.02 -0.91 3.56 2.47 -1.43 -0.65 114.38 118.49 2kta h ARG 54 Ca 0.36 0.00 0.14 0.00 -1.26 0.00 0.00 59.98 59.22 2kta h ARG 54 Cb 0.05 0.01 -0.07 0.00 -1.65 0.00 0.00 29.97 28.30 2kta h ARG 54 CO -0.13 0.09 0.58 -0.09 0.56 0.00 0.00 179.97 180.98 2kta h ARG 55 N -0.13 0.74 0.18 0.04 1.12 -1.25 0.31 114.38 115.39 2kta h ARG 55 Ca -0.00 -0.04 -0.01 0.00 -1.11 0.00 0.00 59.98 58.81 2kta h ARG 55 Cb 0.12 -0.17 0.00 0.00 -0.01 0.00 0.00 29.97 29.92 2kta h ARG 55 CO 0.00 0.49 -0.09 1.25 -3.11 0.00 0.00 179.97 178.52 2kta h LEU 56 N 0.76 -0.21 -1.02 3.80 6.46 -0.95 -2.47 115.31 121.68 2kta h LEU 56 Ca 0.46 -0.28 -0.00 0.00 -0.12 0.00 0.00 57.88 57.93 2kta h LEU 56 Cb 0.66 0.05 -0.04 0.00 -0.73 0.00 0.00 40.66 40.60 2kta h LEU 56 CO -0.22 0.20 0.56 -0.07 -0.62 0.00 0.00 178.44 178.29 2kta h LEU 57 N -0.67 1.08 -0.90 2.25 4.07 -0.38 -1.38 115.31 119.39 2kta h LEU 57 Ca -0.03 -0.06 -0.02 0.00 0.08 0.00 0.00 57.88 57.86 2kta h LEU 57 Cb 0.48 -0.27 -0.04 0.00 1.08 0.00 0.00 40.66 41.90 2kta h LEU 57 CO 0.04 0.82 0.49 -0.07 -1.08 0.00 0.00 178.44 178.64 2kta h LEU 58 N 1.25 1.13 -0.90 1.67 -0.00 -0.45 -1.97 115.31 116.02 2kta h LEU 58 Ca 0.33 -0.10 -0.09 0.00 -0.00 0.00 0.00 57.88 58.01 2kta h LEU 58 Cb -0.07 -0.29 -0.02 0.00 -0.00 0.00 0.00 40.66 40.29 2kta h LEU 58 CO -0.06 0.91 -0.17 -0.78 -0.00 0.00 0.00 178.44 178.33 2kta h ASP 59 N 1.26 0.61 -0.54 -0.43 3.58 -0.87 0.14 116.42 120.17 2kta h ASP 59 Ca 0.31 -0.19 -0.05 0.00 0.42 0.00 0.00 57.03 57.53 2kta h ASP 59 Cb 0.04 -0.16 -0.02 0.00 1.72 0.00 0.00 39.33 40.90 2kta h ASP 59 CO -0.05 0.79 0.14 0.50 -2.88 0.00 0.00 179.24 177.74 2kta h LYS 60 N 0.55 0.86 0.00 0.28 3.11 -0.63 -2.71 116.57 118.04 2kta h LYS 60 Ca 0.09 -0.20 0.00 0.00 -2.81 0.00 0.00 60.65 57.73 2kta h LYS 60 Cb 0.61 -0.11 0.00 0.00 -1.00 0.00 0.00 32.23 31.73 2kta h LYS 60 CO 0.04 0.81 0.00 -0.84 -2.81 0.00 0.00 179.45 176.65 2kta h ILE 61 N 0.76 0.00 0.00 2.00 3.07 -1.25 -3.47 117.51 118.62 2kta h ILE 61 Ca 0.17 -0.63 0.00 0.00 1.55 0.00 0.00 64.86 65.95 2kta h ILE 61 Cb 0.33 1.59 0.00 0.00 -0.27 0.00 0.00 36.82 38.47 2kta h ILE 61 CO 0.00 0.00 0.00 0.61 -1.05 0.00 0.00 178.15 177.71 2kta n GLY 62 N 0.95 2.00 3.55 0.16 0.00 -0.90 -4.43 105.19 106.50 2kta n GLY 62 Ca 0.04 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.63 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 -2.00 2.78 0.14 1.61 2.19 0.46 -4.01 117.98 119.14 2kta s PHE 63 Ca 0.00 0.18 -0.30 0.00 0.33 0.00 0.00 56.93 57.14 2kta s PHE 63 Cb 0.00 -4.15 -0.07 0.00 -1.31 0.00 0.00 43.02 37.49 2kta s PHE 63 CO 0.00 -1.34 1.13 0.54 1.83 0.00 0.00 175.22 177.37 2kta s VAL 64 N 4.13 3.94 -1.92 3.12 0.11 -1.26 -4.39 120.40 124.13 2kta s VAL 64 Ca 0.35 1.57 0.21 0.00 -2.93 0.00 0.00 61.98 61.18 2kta s VAL 64 Cb -0.11 -4.00 0.55 0.00 -1.53 0.00 0.00 36.38 31.29 2kta s VAL 64 CO 0.22 0.22 1.46 0.79 -3.33 0.00 0.00 175.10 174.47 2kta n TRP 65 N 2.88 0.80 -1.58 1.54 7.02 -1.26 -4.94 117.44 121.90 2kta n TRP 65 Ca 0.05 -0.44 -0.45 0.00 -1.02 0.00 0.00 57.50 55.64 2kta n TRP 65 Cb 0.46 -0.00 -0.04 0.00 -2.42 0.00 0.00 31.31 29.31 2kta n TRP 65 CO 0.00 0.00 0.00 0.43 -2.02 0.00 0.00 177.69 176.10 2kta n SER 66 N 1.45 3.12 -4.06 -0.99 7.64 -1.26 -4.94 113.62 114.58 2kta n SER 66 Ca 0.21 0.33 -0.20 0.00 1.01 0.00 0.00 58.87 60.23 2kta n SER 66 Cb 0.59 -1.49 -0.09 0.00 -1.01 0.00 0.00 64.21 62.21 2kta n SER 66 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 2kta s LEU 67 N 7.64 1.76 -1.69 -3.43 1.43 -1.26 -4.87 118.68 118.26 2kta s LEU 67 Ca 1.01 -1.55 0.00 0.00 -1.03 0.00 0.00 54.13 52.56 2kta s LEU 67 Cb -0.46 0.10 0.00 0.00 0.03 0.00 0.00 46.19 45.86 2kta s LEU 67 CO 0.39 -0.86 0.00 -0.62 0.23 0.00 0.00 176.35 175.49 2kta n GLU 68 N -0.63 -1.31 -1.62 1.70 1.02 -1.26 -4.88 120.64 113.67 2kta n GLU 68 Ca -0.00 0.99 -0.43 0.00 -0.02 0.00 0.00 57.16 57.70 2kta n GLU 68 Cb 0.65 -5.34 -0.03 0.00 -0.02 0.00 0.00 31.44 26.70 2kta n GLU 68 CO 0.00 0.00 0.00 1.58 1.18 0.00 0.00 177.13 179.89 2kta n HIS 69 N -3.22 2.15 -1.51 -0.32 -0.00 -1.26 -4.79 115.22 106.27 2kta n HIS 69 Ca -0.19 -0.20 -0.43 0.00 0.46 0.00 0.00 57.72 57.36 2kta n HIS 69 Cb 0.62 -2.75 -0.07 0.00 -0.12 0.00 0.00 29.99 27.67 2kta n HIS 69 CO 0.00 0.00 0.00 1.58 0.46 0.00 0.00 176.34 178.38 2kta n HIS 70 N 10.15 1.40 0.00 1.57 -0.00 -1.26 -4.81 115.22 122.27 2kta n HIS 70 Ca 0.27 0.19 0.00 0.00 0.46 0.00 0.00 57.72 58.64 2kta n HIS 70 Cb 0.43 -2.57 0.00 0.00 -0.12 0.00 0.00 29.99 27.73 2kta n HIS 70 CO 0.00 0.00 0.00 0.72 0.46 0.00 0.00 176.34 177.52 2kta n HIS 71 N 12.31 0.00 -3.99 1.57 8.25 -1.26 -5.14 115.22 126.96 2kta n HIS 71 Ca 0.43 0.00 -0.11 0.00 -0.26 0.00 0.00 57.72 57.78 2kta n HIS 71 Cb 0.33 0.00 -0.03 0.00 1.12 0.00 0.00 29.99 31.41 2kta n HIS 71 CO 0.00 0.00 0.00 -1.01 0.64 0.00 0.00 176.34 175.97 2kta s HIS 72 N 0.00 0.58 0.25 4.41 3.76 -1.26 -5.18 115.29 117.85 2kta s HIS 72 Ca 0.00 -0.96 0.10 0.00 -0.15 0.00 0.00 55.06 54.05 2kta s HIS 72 Cb 0.00 0.23 -0.05 0.00 1.11 0.00 0.00 32.58 33.87 2kta s HIS 72 CO 0.00 -1.18 -0.16 -1.01 -0.85 0.00 0.00 174.74 171.54 2kta s HIS 73 N -3.27 2.03 -0.81 1.40 0.09 -1.26 -5.19 115.29 108.28 2kta s HIS 73 Ca 0.24 -0.46 0.06 0.00 -0.00 0.00 0.00 55.06 54.90 2kta s HIS 73 Cb -0.02 -0.94 0.05 0.00 -0.00 0.00 0.00 32.58 31.68 2kta s HIS 73 CO 0.14 0.53 0.71 -2.39 -0.00 0.00 0.00 174.74 173.73