#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kta n ASN 2 N 0.00 4.77 -2.82 7.83 4.13 -1.26 -4.56 115.26 123.35 2kta n ASN 2 Ca 0.00 -2.90 -0.02 0.00 1.68 0.00 0.00 54.58 53.33 2kta n ASN 2 Cb 0.00 -1.74 0.01 0.00 -1.54 0.00 0.00 39.78 36.51 2kta n ASN 2 CO 0.00 0.00 0.00 -1.58 0.28 0.00 0.00 177.26 175.96 2kta s GLN 3 N 4.22 0.72 0.00 3.52 0.74 -1.26 -5.02 119.66 122.58 2kta s GLN 3 Ca 0.54 -0.60 0.00 0.00 0.05 0.00 0.00 55.36 55.35 2kta s GLN 3 Cb 0.05 -0.01 0.00 0.00 1.10 0.00 0.00 33.01 34.15 2kta s GLN 3 CO 0.07 -0.93 0.25 0.27 -0.55 0.00 0.00 175.29 174.40 2kta n ASN 4 N 3.20 0.50 0.02 6.67 6.94 -1.26 -4.72 115.26 126.60 2kta n ASN 4 Ca 0.14 -0.86 -0.19 0.00 -0.02 0.00 0.00 54.58 53.65 2kta n ASN 4 Cb 0.59 0.12 -0.10 0.00 -2.36 0.00 0.00 39.78 38.03 2kta n ASN 4 CO 0.00 0.00 0.00 -0.07 -1.03 0.00 0.00 177.26 176.16 2kta h LEU 5 N 0.00 0.82 -0.58 -4.53 3.38 -1.98 -3.50 115.31 108.91 2kta h LEU 5 Ca 0.00 -0.72 0.00 0.00 0.09 0.00 0.00 57.88 57.25 2kta h LEU 5 Cb 0.15 -0.25 0.00 0.00 0.09 0.00 0.00 40.66 40.66 2kta h LEU 5 CO 0.00 1.42 -0.62 0.00 0.09 0.00 0.00 178.44 179.33 2kta n GLN 6 N -3.98 -2.82 -2.67 1.13 6.02 -1.26 -4.91 117.38 108.89 2kta n GLN 6 Ca -0.10 2.15 -0.11 0.00 -0.01 0.00 0.00 57.00 58.93 2kta n GLN 6 Cb 0.79 -2.59 0.02 0.00 1.02 0.00 0.00 30.24 29.49 2kta n GLN 6 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2kta n GLY 7 N -1.74 0.12 0.25 1.08 0.00 -1.26 -4.89 105.19 98.75 2kta n GLY 7 Ca 0.00 -0.33 0.09 0.00 0.00 0.00 0.00 46.02 45.78 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 -0.74 0.00 -0.12 1.61 4.22 -1.99 -1.13 114.58 116.42 2kta h GLU 8 Ca -0.26 0.00 -0.00 0.00 0.08 0.00 0.00 59.36 59.18 2kta h GLU 8 Cb 1.18 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.42 2kta h GLU 8 CO 0.27 0.14 0.07 2.35 -2.18 0.00 0.00 179.01 179.66 2kta h TRP 9 N 0.00 0.17 0.00 0.92 -0.00 -1.97 1.08 115.95 116.15 2kta h TRP 9 Ca -0.00 -0.00 -0.02 0.00 -0.00 0.00 0.00 58.89 58.87 2kta h TRP 9 Cb 0.28 -0.05 -0.00 0.00 -0.00 0.00 0.00 29.16 29.39 2kta h TRP 9 CO 0.00 0.19 -0.08 0.52 -0.00 0.00 0.00 178.44 179.07 2kta h MET 10 N 0.11 0.00 0.01 2.65 2.86 -1.62 0.94 114.93 119.88 2kta h MET 10 Ca 0.04 0.00 -0.01 0.00 -2.06 0.00 0.00 59.70 57.67 2kta h MET 10 Cb 0.07 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.73 2kta h MET 10 CO -0.01 0.08 -0.05 -0.22 1.06 0.00 0.00 176.91 177.77 2kta h LYS 11 N 0.00 0.02 -0.89 1.72 3.11 -0.91 -3.32 116.57 116.31 2kta h LYS 11 Ca -0.00 -0.03 0.18 0.00 -2.81 0.00 0.00 60.65 57.99 2kta h LYS 11 Cb 0.14 0.01 -0.07 0.00 -1.00 0.00 0.00 32.23 31.31 2kta h LYS 11 CO 0.01 0.93 0.58 -0.97 -2.81 0.00 0.00 179.45 177.19 2kta h ASN 12 N -0.87 0.49 -0.99 4.20 -0.73 0.18 -1.22 115.58 116.65 2kta h ASN 12 Ca -0.01 0.04 0.16 0.00 1.87 0.00 0.00 56.30 58.36 2kta h ASN 12 Cb 0.96 -0.05 -0.09 0.00 0.27 0.00 0.00 38.32 39.40 2kta h ASN 12 CO 0.01 0.21 0.62 0.22 -0.37 0.00 0.00 177.43 178.12 2kta h TYR 13 N 0.50 1.05 -0.53 0.67 3.20 -0.93 -1.68 116.97 119.24 2kta h TYR 13 Ca 0.46 0.03 -0.03 0.00 3.14 0.00 0.00 58.73 62.33 2kta h TYR 13 Cb 1.01 -0.32 -0.02 0.00 1.54 0.00 0.00 36.73 38.93 2kta h TYR 13 CO -0.00 0.32 0.20 0.93 -1.64 0.00 0.00 178.16 177.97 2kta h GLU 14 N 0.83 0.81 -0.75 1.82 4.39 -1.38 0.47 114.58 120.77 2kta h GLU 14 Ca 0.53 -0.15 -0.05 0.00 0.34 0.00 0.00 59.36 60.03 2kta h GLU 14 Cb 0.74 -0.13 -0.03 0.00 -0.10 0.00 0.00 28.75 29.23 2kta h GLU 14 CO -0.31 0.72 0.28 0.93 -1.16 0.00 0.00 179.01 179.47 2kta h GLU 15 N 0.73 1.14 0.08 2.33 3.07 -1.43 -2.13 114.58 118.37 2kta h GLU 15 Ca 0.18 -0.22 -0.15 0.00 -0.50 0.00 0.00 59.36 58.67 2kta h GLU 15 Cb 0.22 -0.18 0.02 0.00 -0.84 0.00 0.00 28.75 27.97 2kta h GLU 15 CO -0.01 0.94 -0.62 1.25 -1.40 0.00 0.00 179.01 179.17 2kta h LEU 16 N 1.10 0.41 -0.39 1.33 5.85 -1.05 -2.37 115.31 120.19 2kta h LEU 16 Ca 0.25 -0.90 0.08 0.00 0.84 0.00 0.00 57.88 58.15 2kta h LEU 16 Cb 0.25 -0.13 -0.08 0.00 0.37 0.00 0.00 40.66 41.07 2kta h LEU 16 CO -0.02 1.27 -0.15 0.50 -0.34 0.00 0.00 178.44 179.70 2kta h LYS 17 N -0.39 -0.07 -0.29 1.25 3.64 -0.07 0.23 116.57 120.86 2kta h LYS 17 Ca -0.10 0.01 -0.16 0.00 -1.27 0.00 0.00 60.65 59.12 2kta h LYS 17 Cb 1.44 0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 33.27 2kta h LYS 17 CO 0.12 -0.05 -0.47 0.77 -2.27 0.00 0.00 179.45 177.55 2kta h SER 18 N -0.08 0.83 0.01 4.20 0.02 -1.45 -2.62 113.55 114.47 2kta h SER 18 Ca 0.19 -0.41 -0.14 0.00 -0.84 0.00 0.00 61.79 60.59 2kta h SER 18 Cb 0.37 -0.24 0.01 0.00 0.14 0.00 0.00 62.40 62.69 2kta h SER 18 CO -0.44 1.16 -0.55 0.15 -1.14 0.00 0.00 176.83 176.01 2kta h PHE 19 N 0.61 0.53 -0.36 3.45 3.57 -0.88 -3.15 116.94 120.70 2kta h PHE 19 Ca 0.03 -0.30 -0.01 0.00 3.53 0.00 0.00 57.97 61.22 2kta h PHE 19 Cb 1.04 -0.06 -0.02 0.00 2.79 0.00 0.00 35.95 39.70 2kta h PHE 19 CO 0.06 1.13 0.16 0.28 -2.23 0.00 0.00 178.31 177.70 2kta h VAL 20 N -0.22 1.13 -0.16 1.41 2.07 -0.66 -0.12 116.25 119.71 2kta h VAL 20 Ca -0.07 -0.39 0.05 0.00 0.82 0.00 0.00 66.70 67.10 2kta h VAL 20 Cb 1.29 0.69 -0.01 0.00 -1.52 0.00 0.00 31.29 31.74 2kta h VAL 20 CO 0.11 0.16 0.12 -0.09 0.02 0.00 0.00 177.57 177.88 2kta h ARG 21 N 0.50 0.00 0.00 1.57 1.12 -1.43 0.27 114.38 116.42 2kta h ARG 21 Ca 0.13 0.00 0.00 0.00 -1.11 0.00 0.00 59.98 59.00 2kta h ARG 21 Cb 0.08 0.00 0.00 0.00 -0.01 0.00 0.00 29.97 30.04 2kta h ARG 21 CO -0.02 0.00 -0.47 1.17 -3.11 0.00 0.00 179.97 177.54 2kta n LYS 22 N -4.38 0.39 0.00 0.20 4.81 -0.19 -4.64 118.16 114.34 2kta n LYS 22 Ca 0.01 0.45 0.10 0.00 -0.87 0.00 0.00 58.31 58.00 2kta n LYS 22 Cb 0.25 -1.52 -0.04 0.00 0.02 0.00 0.00 35.03 33.74 2kta n LYS 22 CO 0.00 0.00 0.00 0.66 1.17 0.00 0.00 177.40 179.23 2kta n TYR 23 N -4.23 0.00 -0.67 5.64 4.01 -0.41 -4.94 117.16 116.55 2kta n TYR 23 Ca -0.07 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.67 2kta n TYR 23 Cb 0.25 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.28 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 -0.57 0.00 -3.76 -0.72 5.12 0.95 -4.83 116.66 112.85 2kta n ARG 24 Ca 0.07 0.00 -0.02 0.00 -1.93 0.00 0.00 57.85 55.96 2kta n ARG 24 Cb 0.39 -3.62 -0.00 0.00 -1.16 0.00 0.00 32.46 28.07 2kta n ARG 24 CO 0.00 0.00 0.00 1.03 -1.93 0.00 0.00 177.63 176.73 2kta s ARG 25 N -0.54 1.07 -0.52 5.56 0.52 -1.26 -2.70 118.95 121.08 2kta s ARG 25 Ca 0.00 -0.62 0.03 0.00 -0.52 0.00 0.00 55.73 54.63 2kta s ARG 25 Cb 0.00 0.35 0.15 0.00 0.52 0.00 0.00 34.95 35.96 2kta s ARG 25 CO 0.00 -0.49 0.32 -0.59 0.02 0.00 0.00 175.30 174.56 2kta s PHE 26 N -2.88 2.48 -0.03 -0.53 -0.71 -1.26 -4.69 117.98 110.36 2kta s PHE 26 Ca 0.15 -2.78 -0.26 0.00 -1.04 0.00 0.00 56.93 53.01 2kta s PHE 26 Cb -0.00 -2.13 -0.20 0.00 -1.21 0.00 0.00 43.02 39.47 2kta s PHE 26 CO 0.02 -0.72 1.22 -1.35 -1.34 0.00 0.00 175.22 173.04 2kta h PRO 27 N 6.20 0.04 0.00 1.99 0.11 -1.99 -3.40 132.00 134.95 2kta h PRO 27 Ca 0.06 -0.03 -0.33 0.00 0.11 0.00 0.00 66.00 65.81 2kta h PRO 27 Cb 0.87 0.00 -0.06 0.00 0.11 0.00 0.00 31.00 31.93 2kta h PRO 27 CO 0.56 0.58 -2.25 1.63 -0.21 0.00 0.00 178.00 178.31 2kta n LYS 28 N -4.79 0.61 -2.45 1.05 5.02 -1.26 -4.79 118.16 111.55 2kta n LYS 28 Ca -0.08 0.12 -0.38 0.00 -2.02 0.00 0.00 58.31 55.94 2kta n LYS 28 Cb 0.29 -1.44 -0.03 0.00 -0.02 0.00 0.00 35.03 33.83 2kta n LYS 28 CO 0.00 0.00 0.00 -1.12 -0.52 0.00 0.00 177.40 175.76 2kta s SER 29 N -6.05 6.22 -0.14 4.39 0.01 -1.26 -4.77 113.70 112.10 2kta s SER 29 Ca -0.28 -1.34 -0.14 0.00 1.31 0.00 0.00 55.95 55.50 2kta s SER 29 Cb 0.07 -2.57 -0.12 0.00 0.21 0.00 0.00 66.02 63.62 2kta s SER 29 CO 0.53 -1.76 0.24 0.71 0.41 0.00 0.00 173.24 173.37 2kta h THR 30 N 6.83 0.71 -2.54 1.44 1.35 -1.87 -3.44 112.91 115.40 2kta h THR 30 Ca 0.19 -1.61 0.25 0.00 -0.55 0.00 0.00 66.41 64.69 2kta h THR 30 Cb 1.00 1.42 -0.14 0.00 -1.73 0.00 0.00 68.15 68.70 2kta h THR 30 CO 1.38 0.24 -0.93 1.21 -0.25 0.00 0.00 175.52 177.17 2kta n GLU 31 N -4.64 -2.42 0.07 4.72 4.07 -1.26 -0.36 120.64 120.82 2kta n GLU 31 Ca -0.10 1.99 -0.13 0.00 -0.06 0.00 0.00 57.16 58.86 2kta n GLU 31 Cb 0.31 -2.83 -0.08 0.00 -0.06 0.00 0.00 31.44 28.78 2kta n GLU 31 CO 0.00 0.00 0.00 0.78 -0.06 0.00 0.00 177.13 177.85 2kta h GLY 32 N -1.03 -0.14 0.70 8.31 0.00 -1.98 -0.86 103.07 108.07 2kta h GLY 32 Ca -0.15 0.05 -0.02 0.00 0.00 0.00 0.00 47.33 47.22 2kta h GLY 32 CO 0.06 -0.05 -0.18 3.43 0.00 0.00 0.00 176.54 179.79 2kta h ASN 33 N -0.28 -0.42 -0.15 0.19 4.21 -2.00 -2.73 115.58 114.41 2kta h ASN 33 Ca -0.01 -0.13 -0.19 0.00 1.21 0.00 0.00 56.30 57.18 2kta h ASN 33 Cb 0.23 0.11 0.00 0.00 -1.12 0.00 0.00 38.32 37.54 2kta h ASN 33 CO 0.02 -0.08 -0.61 -0.07 -1.29 0.00 0.00 177.43 175.40 2kta h LEU 34 N -0.81 0.86 -0.65 1.61 3.38 -1.66 0.13 115.31 118.17 2kta h LEU 34 Ca -0.05 -0.49 0.02 0.00 0.09 0.00 0.00 57.88 57.45 2kta h LEU 34 Cb 0.53 -0.25 -0.04 0.00 0.09 0.00 0.00 40.66 40.99 2kta h LEU 34 CO 0.08 1.27 0.41 1.23 0.09 0.00 0.00 178.44 181.52 2kta h GLY 35 N 0.79 0.93 1.61 0.83 0.00 0.81 0.10 103.07 108.14 2kta h GLY 35 Ca -0.00 -0.31 -0.19 0.00 0.00 0.00 0.00 47.33 46.82 2kta h GLY 35 CO 0.13 0.27 -0.78 -1.33 0.00 0.00 0.00 176.54 174.83 2kta h GLY 36 N 0.81 0.41 0.44 4.60 0.00 -1.39 -1.49 103.07 106.45 2kta h GLY 36 Ca 0.26 -0.62 0.04 0.00 0.00 0.00 0.00 47.33 47.01 2kta h GLY 36 CO -0.09 0.55 -0.17 -0.25 0.00 0.00 0.00 176.54 176.58 2kta h TRP 37 N 0.24 -0.44 -0.31 5.60 7.01 -0.47 -1.26 115.95 126.32 2kta h TRP 37 Ca -0.04 0.02 -0.01 0.00 2.11 0.00 0.00 58.89 60.97 2kta h TRP 37 Cb 1.37 0.21 -0.01 0.00 -2.10 0.00 0.00 29.16 28.63 2kta h TRP 37 CO 0.04 -0.24 0.15 0.00 -2.79 0.00 0.00 178.44 175.60 2kta h HIS 39 N 0.37 0.48 -0.13 0.00 3.86 -0.96 0.30 115.15 119.07 2kta h HIS 39 Ca 0.11 0.02 -0.01 0.00 -1.16 0.00 0.00 60.37 59.32 2kta h HIS 39 Cb 0.13 -0.14 -0.00 0.00 1.06 0.00 0.00 27.41 28.45 2kta h HIS 39 CO -0.02 0.22 0.02 1.15 0.86 0.00 0.00 177.93 180.17 2kta h THR 40 N 0.51 1.21 0.00 2.45 2.02 -1.17 -3.17 112.91 114.76 2kta h THR 40 Ca 0.24 -0.68 -0.11 0.00 0.77 0.00 0.00 66.41 66.64 2kta h THR 40 Cb 0.17 1.42 -0.02 0.00 -1.74 0.00 0.00 68.15 67.98 2kta h THR 40 CO -0.18 0.20 -0.85 1.56 0.37 0.00 0.00 175.52 176.62 2kta h GLN 41 N -0.01 0.00 -0.28 6.66 4.20 -1.11 -2.97 115.11 121.60 2kta h GLN 41 Ca 0.04 0.00 -0.03 0.00 0.06 0.00 0.00 58.65 58.71 2kta h GLN 41 Cb 0.29 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 28.05 2kta h GLN 41 CO 0.00 0.34 0.02 -0.09 -0.67 0.00 0.00 178.83 178.43 2kta h ARG 42 N 0.00 0.41 0.05 1.46 1.12 -0.50 0.89 114.38 117.80 2kta h ARG 42 Ca -0.06 -0.07 -0.00 0.00 -1.11 0.00 0.00 59.98 58.74 2kta h ARG 42 Cb 1.39 -0.07 0.00 0.00 -0.01 0.00 0.00 29.97 31.28 2kta h ARG 42 CO 0.05 0.42 -0.02 -0.22 -3.11 0.00 0.00 179.97 177.08 2kta h LYS 43 N 0.40 -0.06 -0.37 0.20 3.64 -1.49 -0.58 116.57 118.30 2kta h LYS 43 Ca 0.09 0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 59.46 2kta h LYS 43 Cb 0.23 0.01 -0.02 0.00 -0.41 0.00 0.00 32.23 32.04 2kta h LYS 43 CO 0.00 0.05 0.17 0.52 -2.27 0.00 0.00 179.45 177.92 2kta h MET 44 N -0.16 0.51 -0.17 1.90 0.00 -1.33 0.34 114.93 116.03 2kta h MET 44 Ca -0.01 -0.06 -0.00 0.00 0.00 0.00 0.00 59.70 59.63 2kta h MET 44 Cb 0.14 -0.10 -0.01 0.00 0.00 0.00 0.00 31.60 31.63 2kta h MET 44 CO 0.01 0.41 0.09 -0.09 0.00 0.00 0.00 176.91 177.33 2kta h ARG 45 N 0.51 0.24 -0.04 1.72 1.12 -0.52 0.26 114.38 117.67 2kta h ARG 45 Ca 0.13 -0.03 -0.01 0.00 -1.11 0.00 0.00 59.98 58.96 2kta h ARG 45 Cb 0.07 -0.04 -0.00 0.00 -0.01 0.00 0.00 29.97 29.99 2kta h ARG 45 CO -0.02 0.26 -0.00 -0.22 -3.11 0.00 0.00 179.97 176.88 2kta h LYS 46 N 0.15 0.07 -0.20 0.20 3.64 -0.38 -2.99 116.57 117.07 2kta h LYS 46 Ca 0.06 -0.02 -0.01 0.00 -1.27 0.00 0.00 60.65 59.41 2kta h LYS 46 Cb 0.10 -0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 31.90 2kta h LYS 46 CO -0.01 0.38 0.09 1.96 -2.27 0.00 0.00 179.45 179.60 2kta h GLN 47 N -0.24 0.27 -0.59 1.90 4.20 -0.33 -3.47 115.11 116.86 2kta h GLN 47 Ca 0.01 -0.02 0.00 0.00 0.06 0.00 0.00 58.65 58.70 2kta h GLN 47 Cb 0.35 -0.06 0.00 0.00 0.30 0.00 0.00 27.48 28.07 2kta h GLN 47 CO 0.00 0.22 0.00 0.41 -0.67 0.00 0.00 178.83 178.79 2kta n GLY 48 N -1.39 0.93 0.05 3.46 0.00 0.67 -4.99 105.19 103.92 2kta n GLY 48 Ca -0.00 -0.35 0.00 0.00 0.00 0.00 0.00 46.02 45.67 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 -0.29 0.92 -2.01 1.61 2.85 0.15 -5.04 118.16 116.35 2kta n LYS 49 Ca 0.00 -0.94 -0.40 0.00 -1.05 0.00 0.00 58.31 55.92 2kta n LYS 49 Cb 0.27 -0.69 -0.01 0.00 -0.65 0.00 0.00 35.03 33.95 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 -0.43 4.30 0.22 -5.58 1.43 -1.06 -4.96 118.68 112.60 2kta s LEU 50 Ca 0.02 2.76 -0.30 0.00 -1.03 0.00 0.00 54.13 55.58 2kta s LEU 50 Cb 0.01 -3.77 -0.09 0.00 0.03 0.00 0.00 46.19 42.37 2kta s LEU 50 CO 0.00 -0.77 1.33 -2.84 0.23 0.00 0.00 176.35 174.31 2kta s PRO 51 N -2.07 4.37 0.26 1.29 0.02 -1.26 -4.93 135.00 132.67 2kta s PRO 51 Ca 0.54 2.11 -0.05 0.00 0.02 0.00 0.00 61.00 63.61 2kta s PRO 51 Cb -0.41 -3.17 0.31 0.00 0.02 0.00 0.00 34.50 31.25 2kta s PRO 51 CO 0.54 -0.28 1.93 -0.97 -0.33 0.00 0.00 177.00 177.89 2kta h ASN 52 N 5.19 1.10 -0.70 2.53 -0.73 -1.99 -1.48 115.58 119.51 2kta h ASN 52 Ca -0.45 -0.04 0.06 0.00 1.87 0.00 0.00 56.30 57.74 2kta h ASN 52 Cb 1.22 -0.27 -0.06 0.00 0.27 0.00 0.00 38.32 39.47 2kta h ASN 52 CO 0.77 0.81 0.39 0.44 -0.37 0.00 0.00 177.43 179.46 2kta h ASP 53 N 1.29 0.58 -0.05 1.15 5.19 -1.99 -0.81 116.42 121.78 2kta h ASP 53 Ca 0.35 0.03 -0.00 0.00 -0.62 0.00 0.00 57.03 56.78 2kta h ASP 53 Cb -0.13 -0.08 -0.00 0.00 0.18 0.00 0.00 39.33 39.30 2kta h ASP 53 CO -0.07 0.37 0.02 -0.09 -3.12 0.00 0.00 179.24 176.35 2kta h ARG 54 N 0.71 0.07 -0.75 3.56 9.65 -1.69 0.34 114.38 126.27 2kta h ARG 54 Ca 0.31 -0.01 0.14 0.00 -1.10 0.00 0.00 59.98 59.32 2kta h ARG 54 Cb 0.20 -0.01 -0.09 0.00 -1.39 0.00 0.00 29.97 28.68 2kta h ARG 54 CO -0.19 0.17 0.30 -0.09 2.80 0.00 0.00 179.97 182.96 2kta h ARG 55 N -0.05 0.44 -0.59 0.20 1.12 -0.99 -1.62 114.38 112.89 2kta h ARG 55 Ca 0.02 -0.03 -0.06 0.00 -1.11 0.00 0.00 59.98 58.80 2kta h ARG 55 Cb 0.13 -0.10 -0.02 0.00 -0.01 0.00 0.00 29.97 29.96 2kta h ARG 55 CO -0.00 0.29 0.13 -0.07 -3.11 0.00 0.00 179.97 177.21 2kta h LEU 56 N 0.45 0.90 -1.07 3.80 4.07 -0.54 -2.59 115.31 120.34 2kta h LEU 56 Ca 0.41 -0.24 0.15 0.00 0.08 0.00 0.00 57.88 58.28 2kta h LEU 56 Cb 0.60 -0.24 -0.09 0.00 1.08 0.00 0.00 40.66 42.01 2kta h LEU 56 CO -0.39 0.91 0.62 -0.07 -1.08 0.00 0.00 178.44 178.42 2kta h LEU 57 N 0.86 0.82 -0.02 1.67 3.38 0.03 0.23 115.31 122.27 2kta h LEU 57 Ca 0.18 0.06 -0.01 0.00 0.09 0.00 0.00 57.88 58.21 2kta h LEU 57 Cb 0.36 -0.09 -0.00 0.00 0.09 0.00 0.00 40.66 41.02 2kta h LEU 57 CO 0.00 0.38 -0.01 -0.07 0.09 0.00 0.00 178.44 178.83 2kta h LEU 58 N 0.85 0.05 -0.99 1.67 -0.00 -1.12 -2.95 115.31 112.82 2kta h LEU 58 Ca 0.52 -0.42 -0.01 0.00 -0.00 0.00 0.00 57.88 57.97 2kta h LEU 58 Cb 0.70 -0.01 -0.00 0.00 -0.00 0.00 0.00 40.66 41.34 2kta h LEU 58 CO -0.30 0.46 -0.04 -2.24 -0.00 0.00 0.00 178.44 176.33 2kta h ASP 59 N -0.36 0.00 -0.55 -0.43 3.04 -1.01 0.36 116.42 117.47 2kta h ASP 59 Ca 0.01 0.00 -0.08 0.00 -3.24 0.00 0.00 57.03 53.72 2kta h ASP 59 Cb 0.44 0.00 -0.02 0.00 -1.04 0.00 0.00 39.33 38.71 2kta h ASP 59 CO 0.00 0.04 0.03 0.11 -2.04 0.00 0.00 179.24 177.38 2kta h LYS 60 N 0.00 0.95 -0.01 4.15 1.57 -0.55 -2.46 116.57 120.23 2kta h LYS 60 Ca -0.00 -0.29 0.00 0.00 -1.87 0.00 0.00 60.65 58.49 2kta h LYS 60 Cb 0.69 -0.09 0.00 0.00 0.08 0.00 0.00 32.23 32.91 2kta h LYS 60 CO 0.00 0.94 -0.06 0.44 -0.57 0.00 0.00 179.45 180.20 2kta n ILE 61 N -4.29 0.00 -0.18 1.86 -5.35 -0.97 -4.91 119.36 105.52 2kta n ILE 61 Ca 0.02 -0.08 0.00 0.00 -0.27 0.00 0.00 62.75 62.42 2kta n ILE 61 Cb 0.31 -0.07 0.00 0.00 -1.74 0.00 0.00 39.64 38.14 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 1.20 1.16 3.73 3.28 0.00 -0.74 -4.14 105.19 109.68 2kta n GLY 62 Ca 0.17 -0.14 -0.41 0.00 0.00 0.00 0.00 46.02 45.64 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 3.53 -0.15 1.61 5.36 0.12 -4.68 117.98 121.76 2kta s PHE 63 Ca 0.00 1.48 -0.18 0.00 -0.96 0.00 0.00 56.93 57.27 2kta s PHE 63 Cb 0.00 -3.33 -0.04 0.00 -0.34 0.00 0.00 43.02 39.31 2kta s PHE 63 CO 0.00 -0.86 0.50 0.08 -1.46 0.00 0.00 175.22 173.47 2kta s VAL 64 N 0.32 5.15 -0.24 3.12 1.01 -1.10 -4.19 120.40 124.47 2kta s VAL 64 Ca 0.53 0.97 0.14 0.00 0.00 0.00 0.00 61.98 63.62 2kta s VAL 64 Cb -0.29 -3.83 0.79 0.00 0.00 0.00 0.00 36.38 33.05 2kta s VAL 64 CO 0.33 0.27 1.73 0.79 0.00 0.00 0.00 175.10 178.22 2kta n TRP 65 N 4.09 2.03 -0.57 5.22 7.02 -1.26 -4.99 117.44 128.98 2kta n TRP 65 Ca -0.06 -0.80 0.07 0.00 -1.02 0.00 0.00 57.50 55.69 2kta n TRP 65 Cb 0.51 -0.52 -0.03 0.00 -2.42 0.00 0.00 31.31 28.85 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 0.43 -3.41 -3.12 -0.99 7.64 -1.26 -4.42 113.62 108.48 2kta n SER 66 Ca 0.29 0.43 -0.32 0.00 1.01 0.00 0.00 58.87 60.28 2kta n SER 66 Cb 1.20 -1.88 -0.04 0.00 -1.01 0.00 0.00 64.21 62.48 2kta n SER 66 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2kta n LEU 67 N -3.19 7.59 -4.57 -3.43 -0.00 -1.26 -4.85 117.00 107.30 2kta n LEU 67 Ca -0.02 -3.92 -0.36 0.00 -0.00 0.00 0.00 56.01 51.71 2kta n LEU 67 Cb 0.27 -1.44 -0.03 0.00 -0.00 0.00 0.00 43.42 42.21 2kta n LEU 67 CO 0.01 1.75 1.53 -0.70 -0.00 0.00 0.00 177.39 179.99 2kta s GLU 68 N 2.25 3.27 -0.01 1.47 2.12 -1.26 -4.90 118.70 121.63 2kta s GLU 68 Ca 0.63 -1.06 0.01 0.00 0.36 0.00 0.00 54.97 54.92 2kta s GLU 68 Cb 0.18 -5.30 0.00 0.00 0.26 0.00 0.00 34.13 29.28 2kta s GLU 68 CO -0.05 -2.72 -0.05 -1.01 -0.54 0.00 0.00 175.26 170.89 2kta s HIS 69 N 6.86 0.54 -0.03 5.30 3.76 -1.26 -5.12 115.29 125.33 2kta s HIS 69 Ca 0.56 -0.11 -0.30 0.00 -0.15 0.00 0.00 55.06 55.06 2kta s HIS 69 Cb -0.01 -0.40 -0.04 0.00 1.11 0.00 0.00 32.58 33.24 2kta s HIS 69 CO -0.02 -0.06 1.22 -1.01 -0.85 0.00 0.00 174.74 174.02 2kta s HIS 70 N 0.19 3.21 0.61 1.40 3.76 -1.26 -5.00 115.29 118.19 2kta s HIS 70 Ca -0.02 1.20 -0.18 0.00 -0.15 0.00 0.00 55.06 55.90 2kta s HIS 70 Cb -0.06 -3.44 -0.03 0.00 1.11 0.00 0.00 32.58 30.16 2kta s HIS 70 CO -0.00 -1.41 1.21 -3.38 -0.85 0.00 0.00 174.74 170.30 2kta s HIS 71 N 1.99 2.36 -0.00 1.40 -3.43 -1.26 -5.04 115.29 111.31 2kta s HIS 71 Ca 0.57 1.52 0.02 0.00 -0.80 0.00 0.00 55.06 56.37 2kta s HIS 71 Cb -0.26 -3.48 -0.04 0.00 -1.43 0.00 0.00 32.58 27.38 2kta s HIS 71 CO 0.24 -2.25 -0.01 -1.58 -2.00 0.00 0.00 174.74 169.14 2kta s HIS 72 N -1.65 3.04 0.00 0.38 2.46 -1.26 -5.03 115.29 113.23 2kta s HIS 72 Ca 0.77 0.06 -0.25 0.00 0.47 0.00 0.00 55.06 56.11 2kta s HIS 72 Cb -0.30 -1.66 -0.17 0.00 -0.13 0.00 0.00 32.58 30.32 2kta s HIS 72 CO 0.35 0.45 1.26 1.25 -2.47 0.00 0.00 174.74 175.57 2kta h HIS 73 N 4.39 -0.25 0.00 3.88 2.76 -2.07 -3.57 115.15 120.28 2kta h HIS 73 Ca -0.49 -0.01 0.00 0.00 -2.20 0.00 0.00 60.37 57.68 2kta h HIS 73 Cb 1.17 0.08 0.00 0.00 1.55 0.00 0.00 27.41 30.22 2kta h HIS 73 CO 0.61 0.10 0.00 1.58 -1.30 0.00 0.00 177.93 178.92