#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 0.09 -0.83 3.17 0.01 -1.26 -5.04 114.94 111.08 2kta s ASN 2 Ca 0.00 -0.26 -0.02 0.00 -0.71 0.00 0.00 52.86 51.86 2kta s ASN 2 Cb 0.00 0.16 0.32 0.00 0.41 0.00 0.00 41.25 42.14 2kta s ASN 2 CO 0.00 -0.30 2.09 1.67 -1.51 0.00 0.00 177.10 179.06 2kta n GLN 3 N 1.72 2.90 0.19 -0.60 7.27 -1.26 -4.61 117.38 123.00 2kta n GLN 3 Ca -0.22 -3.48 0.07 0.00 0.07 0.00 0.00 57.00 53.45 2kta n GLN 3 Cb 0.56 -2.27 0.25 0.00 2.41 0.00 0.00 30.24 31.19 2kta n GLN 3 CO 0.00 0.00 0.00 -2.95 0.07 0.00 0.00 177.06 174.18 2kta h ASN 4 N 3.09 0.00 -2.93 1.69 -1.07 -2.05 -3.49 115.58 110.82 2kta h ASN 4 Ca 0.55 0.00 0.25 0.00 0.07 0.00 0.00 56.30 57.17 2kta h ASN 4 Cb 0.11 0.00 -0.06 0.00 -2.07 0.00 0.00 38.32 36.30 2kta h ASN 4 CO 1.37 0.32 -0.33 0.18 0.07 0.00 0.00 177.43 179.04 2kta n LEU 5 N -3.30 0.00 -2.48 6.14 4.77 -1.26 -5.02 117.00 115.84 2kta n LEU 5 Ca 0.01 0.99 -0.00 0.00 -0.03 0.00 0.00 56.01 56.98 2kta n LEU 5 Cb 0.57 -2.78 -0.00 0.00 -2.33 0.00 0.00 43.42 38.88 2kta n LEU 5 CO 0.36 -2.12 -0.42 1.67 -1.33 0.00 0.00 177.39 175.56 2kta n GLN 6 N -3.23 -2.95 0.00 3.23 -0.06 -1.26 -5.00 117.38 108.12 2kta n GLN 6 Ca 0.01 2.43 0.00 0.00 -2.00 0.00 0.00 57.00 57.44 2kta n GLN 6 Cb 0.42 -4.56 0.00 0.00 -4.06 0.00 0.00 30.24 22.04 2kta n GLN 6 CO 0.00 0.00 0.00 0.41 -0.20 0.00 0.00 177.06 177.27 2kta n GLY 7 N 0.65 -0.19 0.13 1.69 0.00 -1.26 -5.04 105.19 101.17 2kta n GLY 7 Ca -0.03 -0.08 0.12 0.00 0.00 0.00 0.00 46.02 46.03 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 0.00 0.00 -0.09 1.61 4.81 -2.00 -3.31 114.58 115.61 2kta h GLU 8 Ca 0.00 0.00 0.04 0.00 -0.13 0.00 0.00 59.36 59.27 2kta h GLU 8 Cb 0.00 0.00 -0.06 0.00 0.63 0.00 0.00 28.75 29.32 2kta h GLU 8 CO 0.00 0.00 -0.38 2.35 -0.73 0.00 0.00 179.01 180.25 2kta h TRP 9 N 0.00 -1.08 -0.60 0.92 -0.00 -1.98 0.19 115.95 113.39 2kta h TRP 9 Ca 0.00 0.04 0.06 0.00 -0.00 0.00 0.00 58.89 58.99 2kta h TRP 9 Cb 0.89 0.49 -0.04 0.00 -0.00 0.00 0.00 29.16 30.50 2kta h TRP 9 CO 0.00 -0.45 0.40 0.52 -0.00 0.00 0.00 178.44 178.91 2kta h MET 10 N -0.48 0.56 0.20 2.65 2.86 -2.00 0.24 114.93 118.96 2kta h MET 10 Ca 0.07 -0.03 -0.01 0.00 -2.06 0.00 0.00 59.70 57.67 2kta h MET 10 Cb 0.61 -0.13 0.00 0.00 0.06 0.00 0.00 31.60 32.14 2kta h MET 10 CO -0.35 0.37 -0.09 -0.22 1.06 0.00 0.00 176.91 177.67 2kta h LYS 11 N 0.58 -0.25 -0.42 1.72 3.64 -1.40 -2.50 116.57 117.93 2kta h LYS 11 Ca 0.26 0.02 -0.03 0.00 -1.27 0.00 0.00 60.65 59.63 2kta h LYS 11 Cb 0.28 0.06 -0.02 0.00 -0.41 0.00 0.00 32.23 32.14 2kta h LYS 11 CO -0.08 0.07 0.14 -0.91 -2.27 0.00 0.00 179.45 176.40 2kta h ASN 12 N -0.61 0.55 -0.02 4.20 2.35 0.06 -1.81 115.58 120.30 2kta h ASN 12 Ca -0.03 -0.07 0.01 0.00 -0.55 0.00 0.00 56.30 55.66 2kta h ASN 12 Cb 0.44 -0.14 -0.01 0.00 0.05 0.00 0.00 38.32 38.66 2kta h ASN 12 CO 0.04 0.53 -0.02 0.22 -1.65 0.00 0.00 177.43 176.55 2kta h TYR 13 N 0.60 -0.06 -0.45 1.19 3.20 -0.51 0.20 116.97 121.15 2kta h TYR 13 Ca 0.14 0.00 -0.05 0.00 3.14 0.00 0.00 58.73 61.96 2kta h TYR 13 Cb 0.17 0.03 -0.02 0.00 1.54 0.00 0.00 36.73 38.45 2kta h TYR 13 CO 0.01 -0.04 0.06 0.93 -1.64 0.00 0.00 178.16 177.48 2kta h GLU 14 N -0.03 0.70 -0.08 1.82 4.39 -0.98 0.30 114.58 120.70 2kta h GLU 14 Ca 0.02 -0.15 -0.18 0.00 0.34 0.00 0.00 59.36 59.39 2kta h GLU 14 Cb 0.06 -0.10 -0.01 0.00 -0.10 0.00 0.00 28.75 28.60 2kta h GLU 14 CO -0.04 0.67 -0.71 0.93 -1.16 0.00 0.00 179.01 178.70 2kta h GLU 15 N 0.67 0.40 -0.14 2.33 5.08 -1.03 -0.46 114.58 121.42 2kta h GLU 15 Ca 0.14 -0.32 -0.17 0.00 -1.00 0.00 0.00 59.36 58.02 2kta h GLU 15 Cb 0.32 0.06 0.01 0.00 0.50 0.00 0.00 28.75 29.64 2kta h GLU 15 CO 0.01 0.95 -0.57 1.25 -1.00 0.00 0.00 179.01 179.64 2kta h LEU 16 N 0.27 0.74 -0.43 1.33 5.85 -0.18 -1.78 115.31 121.11 2kta h LEU 16 Ca -0.03 -0.62 0.08 0.00 0.84 0.00 0.00 57.88 58.16 2kta h LEU 16 Cb 1.27 -0.22 -0.08 0.00 0.37 0.00 0.00 40.66 42.01 2kta h LEU 16 CO 0.12 1.24 -0.05 0.50 -0.34 0.00 0.00 178.44 179.92 2kta h LYS 17 N 0.29 0.06 -0.67 1.25 3.64 -0.36 0.32 116.57 121.10 2kta h LYS 17 Ca -0.03 -0.00 -0.04 0.00 -1.27 0.00 0.00 60.65 59.31 2kta h LYS 17 Cb 1.21 -0.01 -0.03 0.00 -0.41 0.00 0.00 32.23 32.98 2kta h LYS 17 CO 0.12 0.04 0.27 1.03 -2.27 0.00 0.00 179.45 178.64 2kta h SER 18 N 0.06 0.90 -0.09 4.20 0.87 -0.99 -1.34 113.55 117.16 2kta h SER 18 Ca 0.21 -0.12 -0.24 0.00 -1.23 0.00 0.00 61.79 60.41 2kta h SER 18 Cb 0.32 -0.23 0.01 0.00 -0.44 0.00 0.00 62.40 62.06 2kta h SER 18 CO -0.40 0.80 -0.88 -0.26 -0.53 0.00 0.00 176.83 175.56 2kta h PHE 19 N 0.97 1.07 -0.35 2.24 -1.00 -0.35 0.22 116.94 119.73 2kta h PHE 19 Ca 0.23 -0.51 -0.04 0.00 2.81 0.00 0.00 57.97 60.46 2kta h PHE 19 Cb 0.18 -0.15 -0.02 0.00 3.61 0.00 0.00 35.95 39.57 2kta h PHE 19 CO 0.01 1.35 0.05 0.28 -1.61 0.00 0.00 178.31 178.39 2kta h VAL 20 N 0.49 1.18 -0.28 -0.55 2.07 -0.30 0.30 116.25 119.16 2kta h VAL 20 Ca -0.08 -0.68 -0.18 0.00 0.82 0.00 0.00 66.70 66.58 2kta h VAL 20 Cb 1.52 0.87 -0.00 0.00 -1.52 0.00 0.00 31.29 32.15 2kta h VAL 20 CO 0.18 0.24 -0.54 -0.09 0.02 0.00 0.00 177.57 177.38 2kta h ARG 21 N 0.51 0.83 0.67 1.57 9.65 -0.95 -0.77 114.38 125.89 2kta h ARG 21 Ca 0.12 -0.52 -0.03 0.00 -1.10 0.00 0.00 59.98 58.45 2kta h ARG 21 Cb 0.26 0.06 0.01 0.00 -1.39 0.00 0.00 29.97 28.90 2kta h ARG 21 CO 0.00 1.15 -0.32 0.87 2.80 0.00 0.00 179.97 184.47 2kta h LYS 22 N 0.64 -0.87 0.00 0.20 1.57 0.09 -3.40 116.57 114.80 2kta h LYS 22 Ca 0.02 0.06 0.00 0.00 -1.87 0.00 0.00 60.65 58.86 2kta h LYS 22 Cb 1.13 0.20 0.00 0.00 0.08 0.00 0.00 32.23 33.64 2kta h LYS 22 CO 0.12 -0.58 0.00 0.66 -0.57 0.00 0.00 179.45 179.08 2kta n TYR 23 N -5.04 0.00 -2.35 -1.35 4.01 0.03 -5.08 117.16 107.38 2kta n TYR 23 Ca -0.11 0.00 -0.05 0.00 -0.16 0.00 0.00 57.90 57.58 2kta n TYR 23 Cb 0.35 0.00 -0.04 0.00 -0.31 0.00 0.00 39.34 39.35 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 -0.64 -3.60 -0.94 -0.72 5.12 -0.29 -4.92 116.66 110.67 2kta n ARG 24 Ca 0.00 2.82 0.12 0.00 -1.93 0.00 0.00 57.85 58.86 2kta n ARG 24 Cb 0.01 -4.19 -0.04 0.00 -1.16 0.00 0.00 32.46 27.07 2kta n ARG 24 CO 0.00 0.00 0.00 -2.13 -1.93 0.00 0.00 177.63 173.57 2kta n ARG 25 N 1.32 -2.01 -2.22 5.56 0.63 -1.26 -4.86 116.66 113.81 2kta n ARG 25 Ca -0.33 1.46 -0.34 0.00 -0.92 0.00 0.00 57.85 57.72 2kta n ARG 25 Cb 0.51 -2.40 -0.00 0.00 0.45 0.00 0.00 32.46 31.02 2kta n ARG 25 CO 0.00 0.00 0.00 -0.06 -2.51 0.00 0.00 177.63 175.06 2kta s PHE 26 N -2.60 2.82 -0.76 -0.14 0.08 -1.26 -4.70 117.98 111.42 2kta s PHE 26 Ca 0.00 1.55 -0.26 0.00 0.12 0.00 0.00 56.93 58.34 2kta s PHE 26 Cb 0.00 -3.15 -0.11 0.00 -0.57 0.00 0.00 43.02 39.19 2kta s PHE 26 CO 0.00 -1.29 2.30 -2.14 -0.10 0.00 0.00 175.22 174.00 2kta s PRO 27 N -3.55 1.89 0.00 0.24 0.02 -1.26 -4.30 135.00 128.04 2kta s PRO 27 Ca 0.68 0.49 0.00 0.00 0.02 0.00 0.00 61.00 62.19 2kta s PRO 27 Cb -0.20 -4.79 0.00 0.00 0.02 0.00 0.00 34.50 29.54 2kta s PRO 27 CO 0.29 -4.01 0.00 1.17 -0.33 0.00 0.00 177.00 174.12 2kta n LYS 28 N 8.87 0.00 -0.04 5.54 0.00 -1.26 -2.03 118.16 129.24 2kta n LYS 28 Ca 0.43 0.00 0.00 0.00 0.00 0.00 0.00 58.31 58.74 2kta n LYS 28 Cb 0.46 0.00 0.00 0.00 0.00 0.00 0.00 35.03 35.49 2kta n LYS 28 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.40 176.27 2kta n SER 29 N 1.22 0.00 -3.05 3.14 3.41 -1.26 -5.05 113.62 112.04 2kta n SER 29 Ca 0.00 -0.17 -0.35 0.00 -0.26 0.00 0.00 58.87 58.09 2kta n SER 29 Cb 0.00 0.00 -0.02 0.00 -0.26 0.00 0.00 64.21 63.93 2kta n SER 29 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 2kta n THR 30 N 0.00 4.41 -3.94 6.66 -2.24 -0.86 -4.88 114.28 113.43 2kta n THR 30 Ca 0.00 -4.01 -0.27 0.00 -2.27 0.00 0.00 64.05 57.50 2kta n THR 30 Cb 0.09 -1.72 -0.03 0.00 -2.10 0.00 0.00 70.33 66.57 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 -2.13 3.44 0.00 -0.78 -6.30 -1.26 -4.92 118.70 106.75 2kta s GLU 31 Ca 0.54 -0.57 0.00 0.00 -2.50 0.00 0.00 54.97 52.44 2kta s GLU 31 Cb 0.29 -2.98 0.00 0.00 0.00 0.00 0.00 34.13 31.44 2kta s GLU 31 CO -0.19 0.54 0.00 0.41 0.02 0.00 0.00 175.26 176.04 2kta n GLY 32 N -0.39 0.43 0.25 -1.50 0.00 -1.26 -3.32 105.19 99.41 2kta n GLY 32 Ca -0.07 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.81 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 -0.48 1.05 1.61 4.21 -2.00 -2.35 115.58 117.63 2kta h ASN 33 Ca 0.00 -0.08 -0.07 0.00 1.21 0.00 0.00 56.30 57.37 2kta h ASN 33 Cb 0.00 0.12 -0.01 0.00 -1.12 0.00 0.00 38.32 37.31 2kta h ASN 33 CO 0.00 -0.20 -0.33 -0.07 -1.29 0.00 0.00 177.43 175.54 2kta h LEU 34 N -0.75 0.00 -1.23 1.61 3.38 -1.98 -2.72 115.31 113.61 2kta h LEU 34 Ca -0.06 0.00 0.01 0.00 0.09 0.00 0.00 57.88 57.93 2kta h LEU 34 Cb 0.52 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.23 2kta h LEU 34 CO 0.09 0.33 0.52 1.23 0.09 0.00 0.00 178.44 180.71 2kta h GLY 35 N 2.43 1.11 1.73 0.83 0.00 -1.51 -0.31 103.07 107.35 2kta h GLY 35 Ca -0.00 -0.41 -0.19 0.00 0.00 0.00 0.00 47.33 46.72 2kta h GLY 35 CO 0.04 0.39 -0.84 -1.33 0.00 0.00 0.00 176.54 174.81 2kta h GLY 36 N 1.06 0.27 0.88 4.60 0.00 -1.12 -2.64 103.07 106.11 2kta h GLY 36 Ca 0.29 -0.45 -0.02 0.00 0.00 0.00 0.00 47.33 47.15 2kta h GLY 36 CO -0.07 0.40 0.07 -0.25 0.00 0.00 0.00 176.54 176.69 2kta h TRP 37 N 0.14 0.34 -0.01 5.60 7.01 -1.14 -2.87 115.95 125.02 2kta h TRP 37 Ca -0.04 -0.03 -0.12 0.00 2.11 0.00 0.00 58.89 60.80 2kta h TRP 37 Cb 1.45 -0.10 -0.02 0.00 -2.10 0.00 0.00 29.16 28.40 2kta h TRP 37 CO 0.03 0.40 -0.58 0.00 -2.79 0.00 0.00 178.44 175.51 2kta h HIS 39 N 0.01 1.00 -0.16 0.00 3.86 -1.25 0.38 115.15 118.99 2kta h HIS 39 Ca -0.01 0.03 -0.22 0.00 -1.16 0.00 0.00 60.37 59.01 2kta h HIS 39 Cb 1.03 -0.31 0.01 0.00 1.06 0.00 0.00 27.41 29.20 2kta h HIS 39 CO 0.00 0.33 -0.76 1.15 0.86 0.00 0.00 177.93 179.51 2kta h THR 40 N 0.81 1.28 0.00 2.45 2.02 -1.43 -3.34 112.91 114.70 2kta h THR 40 Ca 0.51 -1.95 -0.03 0.00 0.77 0.00 0.00 66.41 65.70 2kta h THR 40 Cb 0.71 1.95 -0.00 0.00 -1.74 0.00 0.00 68.15 69.07 2kta h THR 40 CO -0.28 0.62 -0.64 1.56 0.37 0.00 0.00 175.52 177.16 2kta h GLN 41 N 0.55 0.00 0.00 6.66 4.20 -1.10 -3.03 115.11 122.39 2kta h GLN 41 Ca -0.05 0.00 -0.05 0.00 0.06 0.00 0.00 58.65 58.61 2kta h GLN 41 Cb 1.39 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 29.16 2kta h GLN 41 CO 0.16 0.08 -0.24 0.07 -0.67 0.00 0.00 178.83 178.23 2kta h ARG 42 N 0.00 0.00 0.03 1.46 -0.00 -0.42 0.21 114.38 115.66 2kta h ARG 42 Ca -0.02 0.00 -0.00 0.00 -0.00 0.00 0.00 59.98 59.96 2kta h ARG 42 Cb 1.10 0.00 0.00 0.00 -0.00 0.00 0.00 29.97 31.07 2kta h ARG 42 CO 0.01 0.24 -0.01 0.87 -0.00 0.00 0.00 179.97 181.08 2kta h LYS 43 N 0.00 -0.04 -0.88 0.08 1.57 -1.66 -0.69 116.57 114.96 2kta h LYS 43 Ca -0.00 0.00 0.11 0.00 -1.87 0.00 0.00 60.65 58.89 2kta h LYS 43 Cb 0.49 0.01 -0.07 0.00 0.08 0.00 0.00 32.23 32.74 2kta h LYS 43 CO 0.03 0.35 0.57 0.52 -0.57 0.00 0.00 179.45 180.35 2kta h MET 44 N -0.43 0.78 0.07 3.15 2.86 -1.32 0.47 114.93 120.51 2kta h MET 44 Ca -0.00 -0.05 -0.25 0.00 -2.06 0.00 0.00 59.70 57.33 2kta h MET 44 Cb 0.40 -0.18 0.02 0.00 0.06 0.00 0.00 31.60 31.91 2kta h MET 44 CO 0.01 0.52 -1.04 -0.09 1.06 0.00 0.00 176.91 177.37 2kta h ARG 45 N 0.81 0.58 -0.63 1.72 1.12 -0.95 0.25 114.38 117.27 2kta h ARG 45 Ca 0.42 -0.72 -0.08 0.00 -1.11 0.00 0.00 59.98 58.49 2kta h ARG 45 Cb 0.51 0.23 -0.02 0.00 -0.01 0.00 0.00 29.97 30.67 2kta h ARG 45 CO -0.18 1.31 0.08 -0.22 -3.11 0.00 0.00 179.97 177.84 2kta h LYS 46 N 0.18 1.07 0.00 0.20 3.11 -0.36 -2.31 116.57 118.46 2kta h LYS 46 Ca -0.15 -0.30 -0.10 0.00 -2.81 0.00 0.00 60.65 57.29 2kta h LYS 46 Cb 1.73 -0.12 -0.01 0.00 -1.00 0.00 0.00 32.23 32.82 2kta h LYS 46 CO 0.20 1.00 -0.49 0.37 -2.81 0.00 0.00 179.45 177.73 2kta h GLN 47 N 0.98 0.00 -0.36 1.90 5.75 -0.15 -3.47 115.11 119.75 2kta h GLN 47 Ca 0.19 0.00 0.00 0.00 -0.15 0.00 0.00 58.65 58.69 2kta h GLN 47 Cb 0.47 0.00 0.00 0.00 1.07 0.00 0.00 27.48 29.02 2kta h GLN 47 CO 0.02 0.49 0.00 0.41 -2.65 0.00 0.00 178.83 177.09 2kta n GLY 48 N -0.01 0.98 0.00 2.39 0.00 -0.52 -4.98 105.19 103.04 2kta n GLY 48 Ca -0.01 -0.48 0.00 0.00 0.00 0.00 0.00 46.02 45.53 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 -0.60 0.32 -1.89 1.61 2.85 0.77 -5.02 118.16 116.19 2kta n LYS 49 Ca 0.00 -0.71 -0.41 0.00 -1.05 0.00 0.00 58.31 56.15 2kta n LYS 49 Cb 0.31 -0.89 -0.01 0.00 -0.65 0.00 0.00 35.03 33.79 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 -0.28 4.33 0.16 -5.58 1.43 -0.76 -4.97 118.68 113.01 2kta s LEU 50 Ca 0.00 2.93 -0.30 0.00 -1.03 0.00 0.00 54.13 55.73 2kta s LEU 50 Cb 0.00 -3.69 -0.07 0.00 0.03 0.00 0.00 46.19 42.46 2kta s LEU 50 CO 0.00 -0.80 1.10 -2.16 0.23 0.00 0.00 176.35 174.72 2kta s PRO 51 N -2.05 4.58 0.45 1.29 0.04 -1.26 -4.94 135.00 133.11 2kta s PRO 51 Ca 0.52 1.71 0.24 0.00 0.04 0.00 0.00 61.00 63.51 2kta s PRO 51 Cb -0.44 -3.29 1.02 0.00 0.04 0.00 0.00 34.50 31.83 2kta s PRO 51 CO 0.60 0.04 1.88 -2.95 0.04 0.00 0.00 177.00 176.61 2kta h ASN 52 N 5.32 0.00 0.14 6.66 -1.07 -1.97 -0.60 115.58 124.05 2kta h ASN 52 Ca -0.44 0.00 -0.01 0.00 0.07 0.00 0.00 56.30 55.92 2kta h ASN 52 Cb 1.21 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 37.46 2kta h ASN 52 CO 0.73 0.23 -0.07 0.44 0.07 0.00 0.00 177.43 178.83 2kta h ASP 53 N 0.00 -0.15 -0.65 6.14 3.32 -1.98 0.38 116.42 123.47 2kta h ASP 53 Ca -0.00 -0.20 -0.03 0.00 0.02 0.00 0.00 57.03 56.82 2kta h ASP 53 Cb 0.65 0.04 -0.03 0.00 0.22 0.00 0.00 39.33 40.21 2kta h ASP 53 CO 0.03 0.11 0.28 -0.09 -1.72 0.00 0.00 179.24 177.85 2kta h ARG 54 N -0.43 0.96 -0.95 3.56 2.43 -1.93 0.29 114.38 118.30 2kta h ARG 54 Ca -0.02 -0.16 0.14 0.00 -0.81 0.00 0.00 59.98 59.13 2kta h ARG 54 Cb 0.34 -0.16 -0.09 0.00 -0.42 0.00 0.00 29.97 29.64 2kta h ARG 54 CO 0.03 0.79 0.57 -0.09 -1.51 0.00 0.00 179.97 179.76 2kta h ARG 55 N 0.91 0.81 -0.23 0.20 1.12 -0.99 -1.27 114.38 114.92 2kta h ARG 55 Ca 0.22 -0.05 -0.08 0.00 -1.11 0.00 0.00 59.98 58.96 2kta h ARG 55 Cb 0.18 -0.18 -0.00 0.00 -0.01 0.00 0.00 29.97 29.95 2kta h ARG 55 CO -0.02 0.54 -0.17 1.25 -3.11 0.00 0.00 179.97 178.46 2kta h LEU 56 N 0.84 0.54 -0.45 3.80 7.12 0.63 -1.69 115.31 126.10 2kta h LEU 56 Ca 0.50 -0.45 0.06 0.00 0.13 0.00 0.00 57.88 58.13 2kta h LEU 56 Cb 0.62 -0.15 -0.06 0.00 -0.53 0.00 0.00 40.66 40.54 2kta h LEU 56 CO -0.31 0.87 0.13 -0.07 -0.13 0.00 0.00 178.44 178.93 2kta h LEU 57 N 0.22 0.10 -0.40 2.25 3.38 -0.24 0.24 115.31 120.86 2kta h LEU 57 Ca 0.04 0.06 -0.18 0.00 0.09 0.00 0.00 57.88 57.90 2kta h LEU 57 Cb 0.70 0.07 -0.00 0.00 0.09 0.00 0.00 40.66 41.51 2kta h LEU 57 CO 0.04 0.09 -0.57 -0.07 0.09 0.00 0.00 178.44 178.02 2kta h LEU 58 N 0.28 0.78 -1.29 1.67 3.38 -1.28 -2.92 115.31 115.93 2kta h LEU 58 Ca 0.21 -0.43 -0.05 0.00 0.09 0.00 0.00 57.88 57.71 2kta h LEU 58 Cb 0.24 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 40.76 2kta h LEU 58 CO -0.25 1.18 -0.22 -0.78 0.09 0.00 0.00 178.44 178.46 2kta h ASP 59 N 0.52 0.00 -0.25 -0.43 3.58 -0.73 0.18 116.42 119.30 2kta h ASP 59 Ca 0.00 0.00 -0.13 0.00 0.42 0.00 0.00 57.03 57.33 2kta h ASP 59 Cb 1.15 0.00 -0.00 0.00 1.72 0.00 0.00 39.33 42.20 2kta h ASP 59 CO 0.12 0.22 -0.34 0.50 -2.88 0.00 0.00 179.24 176.86 2kta h LYS 60 N 0.00 0.66 -0.06 0.28 3.64 -0.35 -3.00 116.57 117.74 2kta h LYS 60 Ca -0.00 -0.38 -0.17 0.00 -1.27 0.00 0.00 60.65 58.82 2kta h LYS 60 Cb 0.66 0.03 -0.01 0.00 -0.41 0.00 0.00 32.23 32.51 2kta h LYS 60 CO 0.03 1.00 -0.72 -0.84 -2.27 0.00 0.00 179.45 176.65 2kta h ILE 61 N 0.38 1.40 0.00 2.00 3.07 -1.48 -3.47 117.51 119.41 2kta h ILE 61 Ca 0.03 -2.18 0.00 0.00 1.55 0.00 0.00 64.86 64.26 2kta h ILE 61 Cb 0.92 2.15 0.00 0.00 -0.27 0.00 0.00 36.82 39.61 2kta h ILE 61 CO 0.08 0.65 0.00 0.61 -1.05 0.00 0.00 178.15 178.44 2kta n GLY 62 N 0.53 0.69 3.48 0.16 0.00 -0.83 -4.85 105.19 104.38 2kta n GLY 62 Ca -0.04 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.56 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 -0.84 2.71 0.01 1.61 5.36 0.57 -4.48 117.98 122.92 2kta s PHE 63 Ca 0.00 -0.31 -0.30 0.00 -0.96 0.00 0.00 56.93 55.35 2kta s PHE 63 Cb 0.00 -4.20 -0.04 0.00 -0.34 0.00 0.00 43.02 38.44 2kta s PHE 63 CO 0.00 -1.54 1.15 0.54 -1.46 0.00 0.00 175.22 173.91 2kta s VAL 64 N 4.06 4.28 -0.03 3.12 0.11 -1.26 -4.19 120.40 126.49 2kta s VAL 64 Ca 0.26 1.63 0.08 0.00 -2.93 0.00 0.00 61.98 61.02 2kta s VAL 64 Cb -0.15 -4.05 -0.24 0.00 -1.53 0.00 0.00 36.38 30.42 2kta s VAL 64 CO 0.14 0.09 0.71 -0.50 -3.33 0.00 0.00 175.10 172.20 2kta h TRP 65 N 7.00 0.10 -2.86 1.54 4.06 -1.99 -3.48 115.95 120.32 2kta h TRP 65 Ca -0.39 -0.07 -0.41 0.00 2.06 0.00 0.00 58.89 60.08 2kta h TRP 65 Cb 1.20 -0.00 -0.03 0.00 -1.00 0.00 0.00 29.16 29.32 2kta h TRP 65 CO 0.69 1.13 -0.51 0.43 -3.56 0.00 0.00 178.44 176.62 2kta n SER 66 N -3.17 -5.78 -4.57 -3.49 7.64 -1.26 -4.89 113.62 98.12 2kta n SER 66 Ca -0.17 0.04 -0.40 0.00 1.01 0.00 0.00 58.87 59.36 2kta n SER 66 Cb 1.04 -4.84 -0.02 0.00 -1.01 0.00 0.00 64.21 59.38 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 -5.89 3.56 -1.07 -3.43 1.98 -1.26 -4.90 118.68 107.67 2kta s LEU 67 Ca 0.00 -1.73 -0.11 0.00 -2.89 0.00 0.00 54.13 49.40 2kta s LEU 67 Cb 0.00 -2.57 0.25 0.00 0.66 0.00 0.00 46.19 44.53 2kta s LEU 67 CO 0.00 -1.58 1.10 -1.61 -1.89 0.00 0.00 176.35 172.37 2kta s GLU 68 N 4.97 4.07 -0.23 1.98 0.41 -1.26 -5.01 118.70 123.63 2kta s GLU 68 Ca 0.52 -2.96 -0.13 0.00 -0.41 0.00 0.00 54.97 51.99 2kta s GLU 68 Cb 0.01 -4.62 -0.05 0.00 -1.78 0.00 0.00 34.13 27.70 2kta s GLU 68 CO -0.02 -1.34 0.26 -1.58 -0.49 0.00 0.00 175.26 172.09 2kta s HIS 69 N -0.51 3.34 0.23 1.61 5.65 -1.26 -5.07 115.29 119.28 2kta s HIS 69 Ca 0.30 0.38 -0.30 0.00 0.25 0.00 0.00 55.06 55.70 2kta s HIS 69 Cb -0.09 -2.38 -0.09 0.00 -1.18 0.00 0.00 32.58 28.85 2kta s HIS 69 CO -0.07 0.03 0.98 -1.58 -0.65 0.00 0.00 174.74 173.45 2kta s HIS 70 N 1.18 3.88 0.61 3.88 2.46 -1.26 -5.04 115.29 121.01 2kta s HIS 70 Ca 0.12 1.86 -0.14 0.00 0.47 0.00 0.00 55.06 57.37 2kta s HIS 70 Cb -0.14 -3.06 -0.03 0.00 -0.13 0.00 0.00 32.58 29.22 2kta s HIS 70 CO 0.06 0.20 1.04 -1.01 -2.47 0.00 0.00 174.74 172.56 2kta s HIS 71 N -1.04 3.21 -0.06 3.88 3.76 -1.26 -5.08 115.29 118.70 2kta s HIS 71 Ca 0.42 1.44 -0.21 0.00 -0.15 0.00 0.00 55.06 56.57 2kta s HIS 71 Cb -0.27 -2.88 0.04 0.00 1.11 0.00 0.00 32.58 30.58 2kta s HIS 71 CO 0.34 -0.94 0.47 -3.38 -0.85 0.00 0.00 174.74 170.38 2kta s HIS 72 N -2.77 -0.42 -0.20 1.40 -3.43 -1.26 -5.03 115.29 103.59 2kta s HIS 72 Ca 0.60 0.77 0.05 0.00 -0.80 0.00 0.00 55.06 55.68 2kta s HIS 72 Cb -0.13 0.22 -0.06 0.00 -1.43 0.00 0.00 32.58 31.18 2kta s HIS 72 CO 0.44 -0.44 0.20 1.58 -2.00 0.00 0.00 174.74 174.51 2kta n HIS 73 N 1.45 0.00 1.12 0.38 -0.00 -1.26 -5.34 115.22 111.56 2kta n HIS 73 Ca -0.19 0.00 0.12 0.00 0.46 0.00 0.00 57.72 58.11 2kta n HIS 73 Cb 0.56 -0.02 0.20 0.00 -0.12 0.00 0.00 29.99 30.62 2kta n HIS 73 CO 0.00 0.00 0.00 1.58 0.46 0.00 0.00 176.34 178.38