#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 -0.00 -0.31 3.17 2.20 -1.26 -5.12 114.94 113.62 2kta s ASN 2 Ca 0.00 -0.11 0.04 0.00 -0.94 0.00 0.00 52.86 51.85 2kta s ASN 2 Cb 0.00 0.22 0.20 0.00 -2.00 0.00 0.00 41.25 39.67 2kta s ASN 2 CO 0.00 -0.29 0.65 -1.58 -2.94 0.00 0.00 177.10 172.94 2kta s GLN 3 N -1.04 0.54 0.63 3.55 0.74 -1.26 -5.15 119.66 117.67 2kta s GLN 3 Ca -0.11 0.40 -0.19 0.00 0.05 0.00 0.00 55.36 55.51 2kta s GLN 3 Cb -0.06 0.21 -0.02 0.00 1.10 0.00 0.00 33.01 34.24 2kta s GLN 3 CO 0.01 -0.97 1.31 0.09 -0.55 0.00 0.00 175.29 175.18 2kta n ASN 4 N 5.24 2.20 -4.75 6.67 5.03 -1.26 -4.95 115.26 123.43 2kta n ASN 4 Ca 0.06 0.85 -0.41 0.00 0.87 0.00 0.00 54.58 55.96 2kta n ASN 4 Cb 0.55 -1.56 -0.03 0.00 -1.02 0.00 0.00 39.78 37.71 2kta n ASN 4 CO 0.00 0.00 0.00 -0.22 -1.83 0.00 0.00 177.26 175.21 2kta s LEU 5 N -4.21 4.46 -0.77 3.41 2.96 -1.26 -4.93 118.68 118.34 2kta s LEU 5 Ca 0.81 2.37 -0.26 0.00 -0.22 0.00 0.00 54.13 56.84 2kta s LEU 5 Cb -0.39 -3.62 -0.01 0.00 0.50 0.00 0.00 46.19 42.68 2kta s LEU 5 CO 0.42 -0.38 1.69 -1.58 -1.32 0.00 0.00 176.35 175.18 2kta s GLN 6 N -0.85 2.88 0.21 1.98 2.00 -1.26 -4.96 119.66 119.66 2kta s GLN 6 Ca 0.51 -0.07 -0.30 0.00 -2.00 0.00 0.00 55.36 53.50 2kta s GLN 6 Cb -0.35 -4.66 -0.08 0.00 0.80 0.00 0.00 33.01 28.72 2kta s GLN 6 CO 0.41 -2.69 1.15 0.20 -0.50 0.00 0.00 175.29 173.87 2kta s GLY 7 N 6.64 2.83 0.42 2.59 0.00 -1.26 -4.93 107.32 113.61 2kta s GLY 7 Ca 0.57 0.90 0.20 0.00 0.00 0.00 0.00 44.72 46.40 2kta s GLY 7 CO 0.09 1.71 1.87 1.05 0.00 0.00 0.00 173.10 177.82 2kta h GLU 8 N 4.80 0.00 0.05 2.90 9.09 -2.00 -3.04 114.58 126.39 2kta h GLU 8 Ca -0.45 0.00 0.01 0.00 0.05 0.00 0.00 59.36 58.97 2kta h GLU 8 Cb 1.21 0.00 -0.01 0.00 -1.65 0.00 0.00 28.75 28.30 2kta h GLU 8 CO 0.72 0.29 -0.08 2.35 0.05 0.00 0.00 179.01 182.33 2kta h TRP 9 N 0.00 -0.20 -0.14 2.06 -0.00 -1.97 0.79 115.95 116.49 2kta h TRP 9 Ca -0.00 0.00 0.01 0.00 -0.00 0.00 0.00 58.89 58.90 2kta h TRP 9 Cb 0.65 0.08 -0.01 0.00 -0.00 0.00 0.00 29.16 29.88 2kta h TRP 9 CO 0.00 -0.12 0.09 1.98 -0.00 0.00 0.00 178.44 180.39 2kta h MET 10 N -0.17 0.16 0.03 2.65 4.05 -1.94 0.38 114.93 120.09 2kta h MET 10 Ca 0.01 -0.01 -0.06 0.00 -0.28 0.00 0.00 59.70 59.37 2kta h MET 10 Cb 0.17 -0.04 0.01 0.00 -0.80 0.00 0.00 31.60 30.94 2kta h MET 10 CO -0.04 0.10 -0.24 -0.22 0.23 0.00 0.00 176.91 176.74 2kta h LYS 11 N 0.16 0.11 -0.19 0.39 3.11 -1.36 -3.09 116.57 115.69 2kta h LYS 11 Ca 0.05 -0.16 -0.06 0.00 -2.81 0.00 0.00 60.65 57.67 2kta h LYS 11 Cb 0.01 0.05 -0.01 0.00 -1.00 0.00 0.00 32.23 31.28 2kta h LYS 11 CO -0.01 1.02 -0.16 -0.91 -2.81 0.00 0.00 179.45 176.58 2kta h ASN 12 N -0.73 0.31 0.24 4.20 2.35 0.11 0.70 115.58 122.76 2kta h ASN 12 Ca -0.04 -0.08 -0.01 0.00 -0.55 0.00 0.00 56.30 55.62 2kta h ASN 12 Cb 1.13 -0.08 0.00 0.00 0.05 0.00 0.00 38.32 39.42 2kta h ASN 12 CO 0.05 0.50 -0.12 0.22 -1.65 0.00 0.00 177.43 176.43 2kta h TYR 13 N 0.30 -0.30 -0.18 1.19 3.20 -0.36 0.48 116.97 121.29 2kta h TYR 13 Ca 0.06 -0.01 -0.01 0.00 3.14 0.00 0.00 58.73 61.91 2kta h TYR 13 Cb 0.46 0.10 -0.01 0.00 1.54 0.00 0.00 36.73 38.82 2kta h TYR 13 CO 0.01 0.01 0.06 0.93 -1.64 0.00 0.00 178.16 177.52 2kta h GLU 14 N -0.61 0.25 0.19 1.82 4.39 -1.45 -0.07 114.58 119.11 2kta h GLU 14 Ca -0.03 -0.03 -0.01 0.00 0.34 0.00 0.00 59.36 59.63 2kta h GLU 14 Cb 0.44 -0.05 0.00 0.00 -0.10 0.00 0.00 28.75 29.04 2kta h GLU 14 CO 0.05 0.23 -0.09 1.49 -1.16 0.00 0.00 179.01 179.53 2kta h GLU 15 N 0.26 -0.25 -0.50 2.33 4.57 -0.52 -2.03 114.58 118.45 2kta h GLU 15 Ca 0.07 0.02 -0.00 0.00 -1.18 0.00 0.00 59.36 58.26 2kta h GLU 15 Cb 0.08 0.06 -0.02 0.00 -0.16 0.00 0.00 28.75 28.71 2kta h GLU 15 CO -0.01 -0.04 0.29 1.25 -1.18 0.00 0.00 179.01 179.33 2kta h LEU 16 N -0.42 0.60 0.07 1.64 5.85 0.60 0.46 115.31 124.11 2kta h LEU 16 Ca -0.03 -0.06 0.02 0.00 0.84 0.00 0.00 57.88 58.65 2kta h LEU 16 Cb 0.32 -0.15 -0.05 0.00 0.37 0.00 0.00 40.66 41.15 2kta h LEU 16 CO 0.04 0.49 -0.47 0.11 -0.34 0.00 0.00 178.44 178.28 2kta h LYS 17 N 0.67 -0.64 -0.67 1.25 1.57 -1.02 0.18 116.57 117.90 2kta h LYS 17 Ca 0.18 0.04 -0.02 0.00 -1.87 0.00 0.00 60.65 58.99 2kta h LYS 17 Cb 0.00 0.15 -0.03 0.00 0.08 0.00 0.00 32.23 32.43 2kta h LYS 17 CO -0.03 -0.43 0.36 0.77 -0.57 0.00 0.00 179.45 179.55 2kta h SER 18 N -0.66 0.85 -0.19 0.86 0.02 -1.07 0.11 113.55 113.47 2kta h SER 18 Ca 0.02 -0.10 -0.04 0.00 -0.84 0.00 0.00 61.79 60.83 2kta h SER 18 Cb 0.70 -0.22 -0.01 0.00 0.14 0.00 0.00 62.40 63.02 2kta h SER 18 CO -0.29 0.71 -0.04 0.15 -1.14 0.00 0.00 176.83 176.22 2kta h PHE 19 N 0.92 0.40 -0.56 3.45 3.57 0.23 -0.56 116.94 124.39 2kta h PHE 19 Ca 0.23 -0.08 -0.10 0.00 3.53 0.00 0.00 57.97 61.55 2kta h PHE 19 Cb 0.06 -0.10 -0.02 0.00 2.79 0.00 0.00 35.95 38.68 2kta h PHE 19 CO -0.00 0.60 -0.05 0.28 -2.23 0.00 0.00 178.31 176.91 2kta h VAL 20 N 0.08 1.26 0.00 1.41 2.07 -0.59 0.31 116.25 120.79 2kta h VAL 20 Ca 0.05 -1.19 -0.01 0.00 0.82 0.00 0.00 66.70 66.38 2kta h VAL 20 Cb 0.47 0.88 -0.00 0.00 -1.52 0.00 0.00 31.29 31.11 2kta h VAL 20 CO 0.02 0.42 -0.03 -0.09 0.02 0.00 0.00 177.57 177.91 2kta h ARG 21 N 0.92 0.00 0.00 1.57 1.12 -0.54 -0.61 114.38 116.84 2kta h ARG 21 Ca 0.16 0.00 -0.05 0.00 -1.11 0.00 0.00 59.98 58.98 2kta h ARG 21 Cb 0.59 0.00 -0.01 0.00 -0.01 0.00 0.00 29.97 30.55 2kta h ARG 21 CO 0.04 0.03 -0.80 1.63 -3.11 0.00 0.00 179.97 177.75 2kta n LYS 22 N -3.88 0.49 -0.10 0.20 5.02 -0.24 -4.77 118.16 114.89 2kta n LYS 22 Ca -0.03 0.45 -0.10 0.00 -2.02 0.00 0.00 58.31 56.62 2kta n LYS 22 Cb 0.11 -1.63 -0.15 0.00 -0.02 0.00 0.00 35.03 33.34 2kta n LYS 22 CO 0.00 0.00 0.00 0.66 -0.52 0.00 0.00 177.40 177.54 2kta n TYR 23 N -4.54 0.00 -2.42 2.13 4.02 0.10 -5.07 117.16 111.39 2kta n TYR 23 Ca -0.14 0.00 -0.02 0.00 -0.01 0.00 0.00 57.90 57.73 2kta n TYR 23 Cb 0.40 -0.96 -0.02 0.00 -0.02 0.00 0.00 39.34 38.74 2kta n TYR 23 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 176.86 176.39 2kta n ARG 24 N -2.72 -3.20 -0.33 -0.72 3.00 -0.24 -4.97 116.66 107.48 2kta n ARG 24 Ca -0.32 2.58 0.04 0.00 -0.01 0.00 0.00 57.85 60.14 2kta n ARG 24 Cb 1.13 -4.37 -0.02 0.00 0.00 0.00 0.00 32.46 29.21 2kta n ARG 24 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.63 178.17 2kta n ARG 25 N 0.93 -0.71 -3.61 5.56 5.12 -1.26 -4.88 116.66 117.80 2kta n ARG 25 Ca -0.16 0.54 -0.28 0.00 -1.93 0.00 0.00 57.85 56.02 2kta n ARG 25 Cb 0.25 -0.85 -0.12 0.00 -1.16 0.00 0.00 32.46 30.58 2kta n ARG 25 CO 0.00 0.00 0.00 -0.59 -1.93 0.00 0.00 177.63 175.11 2kta s PHE 26 N -2.46 1.86 0.22 -1.55 -0.71 -1.26 -4.89 117.98 109.19 2kta s PHE 26 Ca 0.00 -2.49 -0.31 0.00 -1.04 0.00 0.00 56.93 53.10 2kta s PHE 26 Cb 0.00 -1.62 -0.10 0.00 -1.21 0.00 0.00 43.02 40.09 2kta s PHE 26 CO 0.00 -0.75 1.55 -1.25 -1.34 0.00 0.00 175.22 173.42 2kta s PRO 27 N -0.03 4.21 -1.34 1.99 0.04 -1.26 -2.13 135.00 136.48 2kta s PRO 27 Ca 0.24 2.40 0.00 0.00 0.04 0.00 0.00 61.00 63.68 2kta s PRO 27 Cb -0.11 -3.11 0.00 0.00 0.04 0.00 0.00 34.50 31.32 2kta s PRO 27 CO -0.10 -0.57 0.00 1.17 0.04 0.00 0.00 177.00 177.55 2kta n LYS 28 N 3.15 -1.12 -3.48 4.56 4.81 -1.26 -3.13 118.16 121.69 2kta n LYS 28 Ca 0.11 0.80 -0.16 0.00 -0.87 0.00 0.00 58.31 58.19 2kta n LYS 28 Cb 0.39 -5.05 0.01 0.00 0.02 0.00 0.00 35.03 30.39 2kta n LYS 28 CO 0.00 0.00 0.00 -1.13 1.17 0.00 0.00 177.40 177.44 2kta n SER 29 N -0.67 -6.14 -0.07 3.14 3.41 -0.90 -4.89 113.62 107.50 2kta n SER 29 Ca -0.17 -0.61 0.02 0.00 -0.26 0.00 0.00 58.87 57.86 2kta n SER 29 Cb 0.59 -3.43 0.35 0.00 -0.26 0.00 0.00 64.21 61.46 2kta n SER 29 CO 0.00 0.00 0.00 0.74 -0.16 0.00 0.00 175.04 175.62 2kta h THR 30 N -0.23 1.15 -3.35 6.66 2.02 -1.62 -3.39 112.91 114.14 2kta h THR 30 Ca -0.38 -0.32 -0.66 0.00 0.77 0.00 0.00 66.41 65.82 2kta h THR 30 Cb 1.23 0.43 -0.28 0.00 -1.74 0.00 0.00 68.15 67.79 2kta h THR 30 CO 0.36 0.15 -0.74 -0.70 0.37 0.00 0.00 175.52 174.96 2kta s GLU 31 N -5.54 3.35 0.32 6.66 2.56 -1.26 -5.00 118.70 119.80 2kta s GLU 31 Ca -0.09 -0.65 0.04 0.00 0.00 0.00 0.00 54.97 54.27 2kta s GLU 31 Cb 0.17 -2.92 0.55 0.00 2.00 0.00 0.00 34.13 33.94 2kta s GLU 31 CO 0.75 -0.13 1.84 0.78 -0.56 0.00 0.00 175.26 177.94 2kta h GLY 32 N 7.87 0.57 0.99 -1.50 0.00 -1.98 0.24 103.07 109.25 2kta h GLY 32 Ca -0.40 -0.36 -0.02 0.00 0.00 0.00 0.00 47.33 46.55 2kta h GLY 32 CO 0.60 0.34 -0.24 3.43 0.00 0.00 0.00 176.54 180.66 2kta h ASN 33 N 0.50 -0.58 0.96 0.19 2.35 -1.96 -1.20 115.58 115.84 2kta h ASN 33 Ca 0.10 0.01 -0.10 0.00 -0.55 0.00 0.00 56.30 55.76 2kta h ASN 33 Cb 0.40 0.15 -0.01 0.00 0.05 0.00 0.00 38.32 38.90 2kta h ASN 33 CO 0.02 -0.40 -0.48 -0.07 -1.65 0.00 0.00 177.43 174.85 2kta h LEU 34 N -0.71 0.00 -0.95 1.61 -0.00 -1.95 -2.84 115.31 110.47 2kta h LEU 34 Ca -0.07 0.00 -0.01 0.00 -0.00 0.00 0.00 57.88 57.80 2kta h LEU 34 Cb 0.54 0.00 -0.04 0.00 -0.00 0.00 0.00 40.66 41.15 2kta h LEU 34 CO 0.11 0.48 0.54 1.23 -0.00 0.00 0.00 178.44 180.81 2kta h GLY 35 N 2.39 1.36 1.51 0.83 0.00 -0.32 0.40 103.07 109.24 2kta h GLY 35 Ca -0.00 -0.58 -0.13 0.00 0.00 0.00 0.00 47.33 46.61 2kta h GLY 35 CO 0.06 0.56 -0.41 -1.33 0.00 0.00 0.00 176.54 175.42 2kta h GLY 36 N 1.29 0.59 1.00 4.60 0.00 -1.08 0.51 103.07 109.97 2kta h GLY 36 Ca 0.33 -0.59 0.00 0.00 0.00 0.00 0.00 47.33 47.07 2kta h GLY 36 CO -0.06 0.53 0.01 -0.25 0.00 0.00 0.00 176.54 176.77 2kta h TRP 37 N 0.44 0.02 -0.11 5.60 7.01 -1.14 -2.76 115.95 125.01 2kta h TRP 37 Ca 0.04 0.00 -0.13 0.00 2.11 0.00 0.00 58.89 60.91 2kta h TRP 37 Cb 0.91 -0.01 -0.01 0.00 -2.10 0.00 0.00 29.16 27.95 2kta h TRP 37 CO 0.03 0.02 -0.49 0.00 -2.79 0.00 0.00 178.44 175.21 2kta h HIS 39 N 0.24 0.80 0.07 0.00 3.86 -0.60 0.36 115.15 119.87 2kta h HIS 39 Ca 0.01 0.02 -0.17 0.00 -1.16 0.00 0.00 60.37 59.08 2kta h HIS 39 Cb 0.96 -0.25 0.02 0.00 1.06 0.00 0.00 27.41 29.20 2kta h HIS 39 CO 0.02 0.27 -0.69 1.15 0.86 0.00 0.00 177.93 179.54 2kta h THR 40 N 0.65 1.48 0.00 2.45 2.02 -1.46 -3.37 112.91 114.68 2kta h THR 40 Ca 0.46 -2.31 0.00 0.00 0.77 0.00 0.00 66.41 65.34 2kta h THR 40 Cb 0.81 2.91 0.00 0.00 -1.74 0.00 0.00 68.15 70.14 2kta h THR 40 CO -0.22 0.66 -0.47 1.56 0.37 0.00 0.00 175.52 177.43 2kta h GLN 41 N -0.26 0.00 0.00 6.66 4.20 -1.23 -3.11 115.11 121.37 2kta h GLN 41 Ca -0.11 0.00 -0.02 0.00 0.06 0.00 0.00 58.65 58.58 2kta h GLN 41 Cb 1.47 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 29.24 2kta h GLN 41 CO 0.13 0.00 -0.09 0.07 -0.67 0.00 0.00 178.83 178.27 2kta h ARG 42 N 0.00 0.00 -0.15 1.46 -0.00 -0.48 0.37 114.38 115.57 2kta h ARG 42 Ca 0.00 0.00 -0.08 0.00 -0.00 0.00 0.00 59.98 59.90 2kta h ARG 42 Cb 0.96 0.00 -0.00 0.00 -0.00 0.00 0.00 29.97 30.93 2kta h ARG 42 CO 0.00 0.09 -0.21 -0.22 -0.00 0.00 0.00 179.97 179.63 2kta h LYS 43 N 0.00 0.42 -0.22 0.08 3.64 -1.73 -2.11 116.57 116.65 2kta h LYS 43 Ca -0.00 -0.24 -0.07 0.00 -1.27 0.00 0.00 60.65 59.06 2kta h LYS 43 Cb 0.20 0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 32.03 2kta h LYS 43 CO 0.01 0.82 -0.18 0.52 -2.27 0.00 0.00 179.45 178.35 2kta h MET 44 N 0.04 0.39 -0.14 1.90 0.00 -1.38 0.11 114.93 115.84 2kta h MET 44 Ca 0.02 -0.12 -0.04 0.00 0.00 0.00 0.00 59.70 59.56 2kta h MET 44 Cb 0.77 -0.04 -0.00 0.00 0.00 0.00 0.00 31.60 32.33 2kta h MET 44 CO 0.05 0.56 -0.07 -0.09 0.00 0.00 0.00 176.91 177.36 2kta h ARG 45 N 0.35 0.30 -0.34 1.72 1.12 -0.95 0.23 114.38 116.81 2kta h ARG 45 Ca 0.06 -0.13 -0.02 0.00 -1.11 0.00 0.00 59.98 58.78 2kta h ARG 45 Cb 0.53 -0.01 -0.01 0.00 -0.01 0.00 0.00 29.97 30.47 2kta h ARG 45 CO 0.03 0.63 0.12 -0.22 -3.11 0.00 0.00 179.97 177.43 2kta h LYS 46 N -0.04 0.52 -0.05 0.20 3.11 -1.13 -2.70 116.57 116.48 2kta h LYS 46 Ca 0.03 -0.10 -0.08 0.00 -2.81 0.00 0.00 60.65 57.69 2kta h LYS 46 Cb 0.54 -0.08 -0.01 0.00 -1.00 0.00 0.00 32.23 31.68 2kta h LYS 46 CO 0.02 0.53 -0.36 0.37 -2.81 0.00 0.00 179.45 177.20 2kta h GLN 47 N 0.40 0.10 -0.40 1.90 5.75 -0.79 -3.47 115.11 118.60 2kta h GLN 47 Ca 0.11 -0.04 0.00 0.00 -0.15 0.00 0.00 58.65 58.57 2kta h GLN 47 Cb 0.21 -0.01 0.00 0.00 1.07 0.00 0.00 27.48 28.76 2kta h GLN 47 CO -0.01 0.45 0.00 0.41 -2.65 0.00 0.00 178.83 177.04 2kta n GLY 48 N -0.42 0.92 0.00 2.39 0.00 0.60 -5.00 105.19 103.69 2kta n GLY 48 Ca -0.02 -0.23 0.00 0.00 0.00 0.00 0.00 46.02 45.77 2kta n GLY 48 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2kta n LYS 49 N -0.20 0.02 -1.67 1.61 4.01 -0.02 -5.03 118.16 116.88 2kta n LYS 49 Ca 0.00 -0.38 -0.43 0.00 -0.51 0.00 0.00 58.31 56.98 2kta n LYS 49 Cb 0.18 -0.70 -0.01 0.00 -0.51 0.00 0.00 35.03 33.99 2kta n LYS 49 CO 0.00 0.00 0.00 1.28 -1.11 0.00 0.00 177.40 177.57 2kta n LEU 50 N -0.05 3.10 -4.77 -0.35 4.77 -1.06 -4.92 117.00 113.72 2kta n LEU 50 Ca 0.00 1.20 -0.41 0.00 -0.03 0.00 0.00 56.01 56.77 2kta n LEU 50 Cb 0.21 -1.43 -0.00 0.00 -2.33 0.00 0.00 43.42 39.87 2kta n LEU 50 CO 0.00 -0.72 1.07 -2.84 -1.33 0.00 0.00 177.39 173.58 2kta s PRO 51 N -1.80 4.12 0.45 3.23 0.02 -1.26 -4.92 135.00 134.84 2kta s PRO 51 Ca 0.56 2.43 0.17 0.00 0.02 0.00 0.00 61.00 64.18 2kta s PRO 51 Cb -0.60 -2.94 1.05 0.00 0.02 0.00 0.00 34.50 32.03 2kta s PRO 51 CO 0.62 -0.47 1.99 -0.91 -0.33 0.00 0.00 177.00 177.89 2kta h ASN 52 N 3.00 0.00 -0.21 2.53 4.21 -1.99 -2.02 115.58 121.10 2kta h ASN 52 Ca -0.50 0.00 -0.10 0.00 1.21 0.00 0.00 56.30 56.91 2kta h ASN 52 Cb 1.24 0.00 -0.00 0.00 -1.12 0.00 0.00 38.32 38.44 2kta h ASN 52 CO 0.64 0.19 -0.25 0.44 -1.29 0.00 0.00 177.43 177.16 2kta h ASP 53 N 0.00 0.58 0.13 5.81 3.32 -1.98 -1.38 116.42 122.90 2kta h ASP 53 Ca -0.00 -0.50 -0.00 0.00 0.02 0.00 0.00 57.03 56.55 2kta h ASP 53 Cb 0.36 -0.16 -0.01 0.00 0.22 0.00 0.00 39.33 39.75 2kta h ASP 53 CO 0.03 0.96 -0.10 0.03 -1.72 0.00 0.00 179.24 178.44 2kta h ARG 54 N 0.21 -0.23 0.00 3.56 2.47 -1.86 0.29 114.38 118.82 2kta h ARG 54 Ca 0.03 0.02 -0.05 0.00 -1.26 0.00 0.00 59.98 58.71 2kta h ARG 54 Cb 0.82 0.05 -0.01 0.00 -1.65 0.00 0.00 29.97 29.18 2kta h ARG 54 CO 0.06 -0.15 -0.23 0.07 0.56 0.00 0.00 179.97 180.28 2kta h ARG 55 N -0.24 0.00 0.05 0.04 0.11 -1.37 -1.04 114.38 111.94 2kta h ARG 55 Ca -0.01 0.00 -0.17 0.00 0.10 0.00 0.00 59.98 59.90 2kta h ARG 55 Cb 0.21 0.00 0.02 0.00 1.11 0.00 0.00 29.97 31.30 2kta h ARG 55 CO -0.00 0.23 -0.70 -0.07 0.10 0.00 0.00 179.97 179.53 2kta h LEU 56 N 0.00 0.52 -0.43 0.08 -0.00 -0.92 -2.54 115.31 112.02 2kta h LEU 56 Ca -0.00 -0.83 0.01 0.00 -0.00 0.00 0.00 57.88 57.06 2kta h LEU 56 Cb 0.48 -0.16 -0.03 0.00 -0.00 0.00 0.00 40.66 40.95 2kta h LEU 56 CO 0.03 1.29 0.27 0.25 -0.00 0.00 0.00 178.44 180.28 2kta h LEU 57 N -0.18 0.45 -0.31 1.67 5.85 0.11 0.25 115.31 123.14 2kta h LEU 57 Ca -0.10 -0.00 -0.05 0.00 0.84 0.00 0.00 57.88 58.57 2kta h LEU 57 Cb 1.45 -0.10 -0.01 0.00 0.37 0.00 0.00 40.66 42.36 2kta h LEU 57 CO 0.13 0.33 0.01 -0.07 -0.34 0.00 0.00 178.44 178.50 2kta h LEU 58 N 0.55 0.53 -1.94 2.25 4.07 -1.33 -2.45 115.31 116.99 2kta h LEU 58 Ca 0.17 -0.30 -0.02 0.00 0.08 0.00 0.00 57.88 57.81 2kta h LEU 58 Cb -0.03 -0.14 -0.00 0.00 1.08 0.00 0.00 40.66 41.57 2kta h LEU 58 CO -0.06 0.70 -0.09 -0.78 -1.08 0.00 0.00 178.44 177.14 2kta h ASP 59 N 0.35 0.00 0.20 -0.43 3.58 -1.03 0.24 116.42 119.33 2kta h ASP 59 Ca 0.09 0.00 -0.01 0.00 0.42 0.00 0.00 57.03 57.53 2kta h ASP 59 Cb 0.43 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.48 2kta h ASP 59 CO 0.01 0.09 -0.09 0.50 -2.88 0.00 0.00 179.24 176.87 2kta h LYS 60 N 0.00 -0.25 0.00 0.28 3.11 -0.16 -3.21 116.57 116.33 2kta h LYS 60 Ca -0.00 0.02 0.00 0.00 -2.81 0.00 0.00 60.65 57.86 2kta h LYS 60 Cb 0.17 0.06 0.00 0.00 -1.00 0.00 0.00 32.23 31.46 2kta h LYS 60 CO 0.01 0.13 0.00 -0.84 -2.81 0.00 0.00 179.45 175.94 2kta h ILE 61 N -0.72 0.00 0.00 2.00 3.07 -1.15 -3.45 117.51 117.25 2kta h ILE 61 Ca -0.03 -0.42 0.00 0.00 1.55 0.00 0.00 64.86 65.96 2kta h ILE 61 Cb 0.50 1.41 0.00 0.00 -0.27 0.00 0.00 36.82 38.46 2kta h ILE 61 CO 0.04 0.00 0.00 0.61 -1.05 0.00 0.00 178.15 177.75 2kta n GLY 62 N -0.16 1.89 3.53 0.16 0.00 -0.85 -4.57 105.19 105.20 2kta n GLY 62 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 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 2.62 0.41 1.61 2.19 0.79 -4.60 117.98 119.01 2kta s PHE 63 Ca 0.00 -0.01 -0.17 0.00 0.33 0.00 0.00 56.93 57.09 2kta s PHE 63 Cb 0.00 -4.33 -0.09 0.00 -1.31 0.00 0.00 43.02 37.29 2kta s PHE 63 CO 0.00 -1.61 0.87 0.54 1.83 0.00 0.00 175.22 176.85 2kta s VAL 64 N 4.58 4.57 -0.38 3.12 0.11 -1.26 -4.06 120.40 127.07 2kta s VAL 64 Ca 0.33 1.14 0.06 0.00 -2.93 0.00 0.00 61.98 60.57 2kta s VAL 64 Cb -0.11 -3.65 0.51 0.00 -1.53 0.00 0.00 36.38 31.60 2kta s VAL 64 CO 0.18 -0.40 1.53 0.79 -3.33 0.00 0.00 175.10 173.87 2kta n TRP 65 N -0.88 1.85 -2.11 1.54 7.02 -1.26 -4.86 117.44 118.75 2kta n TRP 65 Ca 0.05 -1.06 -0.35 0.00 -1.02 0.00 0.00 57.50 55.13 2kta n TRP 65 Cb 0.54 -0.59 -0.04 0.00 -2.42 0.00 0.00 31.31 28.80 2kta n TRP 65 CO 0.00 0.00 0.00 -1.12 -2.02 0.00 0.00 177.69 174.55 2kta s SER 66 N -0.57 5.36 0.04 -0.99 0.01 -1.26 -4.91 113.70 111.39 2kta s SER 66 Ca 0.39 -0.20 -0.06 0.00 1.31 0.00 0.00 55.95 57.39 2kta s SER 66 Cb 0.31 -2.55 -0.01 0.00 0.21 0.00 0.00 66.02 63.99 2kta s SER 66 CO 0.09 -2.42 0.12 -1.48 0.41 0.00 0.00 173.24 169.96 2kta s LEU 67 N 8.94 1.72 -0.26 2.44 0.05 -1.26 -5.03 118.68 125.27 2kta s LEU 67 Ca 0.64 -0.52 -0.09 0.00 0.05 0.00 0.00 54.13 54.22 2kta s LEU 67 Cb -0.09 0.68 -0.04 0.00 -2.05 0.00 0.00 46.19 44.69 2kta s LEU 67 CO 0.11 -0.53 0.12 -1.83 -0.55 0.00 0.00 176.35 173.66 2kta s GLU 68 N -2.69 3.77 -0.30 1.48 -1.05 -1.26 -5.03 118.70 113.62 2kta s GLU 68 Ca -0.04 -0.41 -0.04 0.00 -0.15 0.00 0.00 54.97 54.32 2kta s GLU 68 Cb -0.01 -3.46 0.18 0.00 -0.44 0.00 0.00 34.13 30.40 2kta s GLU 68 CO -0.05 -0.18 0.66 -1.58 0.95 0.00 0.00 175.26 175.06 2kta s HIS 69 N 1.66 -1.43 0.21 4.83 2.46 -1.26 -5.14 115.29 116.62 2kta s HIS 69 Ca 0.07 1.74 -0.32 0.00 0.47 0.00 0.00 55.06 57.02 2kta s HIS 69 Cb -0.15 0.59 -0.12 0.00 -0.13 0.00 0.00 32.58 32.76 2kta s HIS 69 CO 0.07 -0.77 1.70 -3.38 -2.47 0.00 0.00 174.74 169.89 2kta s HIS 70 N 2.86 2.92 -0.23 3.88 -3.43 -1.26 -4.98 115.29 115.05 2kta s HIS 70 Ca 0.13 0.40 -0.07 0.00 -0.80 0.00 0.00 55.06 54.71 2kta s HIS 70 Cb -0.14 -4.11 -0.03 0.00 -1.43 0.00 0.00 32.58 26.87 2kta s HIS 70 CO -0.20 -4.18 0.07 -1.58 -2.00 0.00 0.00 174.74 166.85 2kta s HIS 71 N 1.11 3.14 -0.08 0.38 2.46 -1.26 -5.09 115.29 115.95 2kta s HIS 71 Ca 0.74 -0.22 0.04 0.00 0.47 0.00 0.00 55.06 56.09 2kta s HIS 71 Cb -0.49 -2.18 -0.02 0.00 -0.13 0.00 0.00 32.58 29.76 2kta s HIS 71 CO 0.33 -0.17 -0.19 -1.58 -2.47 0.00 0.00 174.74 170.66 2kta s HIS 72 N 1.17 2.60 0.01 3.88 2.46 -1.26 -5.12 115.29 119.04 2kta s HIS 72 Ca 0.05 -0.57 -0.08 0.00 0.47 0.00 0.00 55.06 54.92 2kta s HIS 72 Cb -0.14 -1.67 0.00 0.00 -0.13 0.00 0.00 32.58 30.64 2kta s HIS 72 CO 0.03 -0.12 0.15 -3.38 -2.47 0.00 0.00 174.74 168.95 2kta s HIS 73 N -0.16 0.06 0.00 3.88 -3.43 -1.26 -5.30 115.29 109.08 2kta s HIS 73 Ca -0.02 -0.20 0.00 0.00 -0.80 0.00 0.00 55.06 54.04 2kta s HIS 73 Cb -0.14 -0.05 0.00 0.00 -1.43 0.00 0.00 32.58 30.96 2kta s HIS 73 CO 0.04 -0.33 0.09 0.72 -2.00 0.00 0.00 174.74 173.26