#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 1.01 -4.56 7.83 6.94 -1.26 -5.06 115.26 120.17 2kta n ASN 2 Ca 0.00 -1.15 -0.42 0.00 -0.02 0.00 0.00 54.58 52.99 2kta n ASN 2 Cb 0.00 0.07 -0.01 0.00 -2.36 0.00 0.00 39.78 37.48 2kta n ASN 2 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 2kta s GLN 3 N -2.11 3.82 -0.14 -3.83 -2.07 -1.26 -4.69 119.66 109.39 2kta s GLN 3 Ca 0.01 -1.68 0.17 0.00 -1.82 0.00 0.00 55.36 52.05 2kta s GLN 3 Cb 0.00 -5.42 0.72 0.00 -1.09 0.00 0.00 33.01 27.22 2kta s GLN 3 CO 0.01 -2.20 1.63 0.27 -1.32 0.00 0.00 175.29 173.68 2kta n ASN 4 N 8.39 4.87 -1.79 12.60 6.94 -1.26 -4.98 115.26 140.03 2kta n ASN 4 Ca 0.41 -2.57 -0.01 0.00 -0.02 0.00 0.00 54.58 52.39 2kta n ASN 4 Cb 0.48 -0.59 -0.01 0.00 -2.36 0.00 0.00 39.78 37.30 2kta n ASN 4 CO 0.00 0.00 0.00 0.18 -1.03 0.00 0.00 177.26 176.41 2kta n LEU 5 N 0.89 -3.15 -4.93 -4.53 4.77 -1.26 -5.08 117.00 103.70 2kta n LEU 5 Ca 0.26 0.57 -0.19 0.00 -0.03 0.00 0.00 56.01 56.62 2kta n LEU 5 Cb 0.94 -1.60 -0.01 0.00 -2.33 0.00 0.00 43.42 40.42 2kta n LEU 5 CO 0.25 -1.03 0.07 0.00 -1.33 0.00 0.00 177.39 175.34 2kta s GLN 6 N -0.84 2.65 -0.82 3.23 -2.07 -1.26 -5.01 119.66 115.54 2kta s GLN 6 Ca -0.07 -1.42 -0.25 0.00 -1.82 0.00 0.00 55.36 51.80 2kta s GLN 6 Cb 0.00 -2.53 -0.04 0.00 -1.09 0.00 0.00 33.01 29.35 2kta s GLN 6 CO 0.21 -0.24 1.95 0.20 -1.32 0.00 0.00 175.29 176.09 2kta s GLY 7 N -4.23 0.13 0.31 2.60 0.00 -1.26 -4.82 107.32 100.06 2kta s GLY 7 Ca 0.51 -1.23 -0.01 0.00 0.00 0.00 0.00 44.72 43.99 2kta s GLY 7 CO 0.30 3.51 1.98 -2.09 0.00 0.00 0.00 173.10 176.80 2kta h GLU 8 N 12.44 1.00 0.23 2.90 4.57 -1.98 0.87 114.58 134.62 2kta h GLU 8 Ca -0.00 -0.06 -0.01 0.00 -1.18 0.00 0.00 59.36 58.10 2kta h GLU 8 Cb 1.05 -0.23 -0.00 0.00 -0.16 0.00 0.00 28.75 29.41 2kta h GLU 8 CO 1.20 0.67 -0.14 2.35 -1.18 0.00 0.00 179.01 181.91 2kta h TRP 9 N 1.03 -0.36 -0.84 0.92 -0.00 -1.98 0.85 115.95 115.58 2kta h TRP 9 Ca 0.28 -0.00 0.08 0.00 -0.00 0.00 0.00 58.89 59.24 2kta h TRP 9 Cb -0.11 0.13 -0.06 0.00 -0.00 0.00 0.00 29.16 29.12 2kta h TRP 9 CO 0.00 -0.22 0.55 1.98 -0.00 0.00 0.00 178.44 180.75 2kta h MET 10 N -0.35 0.85 -0.06 2.65 4.05 -1.68 0.75 114.93 121.13 2kta h MET 10 Ca -0.02 -0.05 -0.07 0.00 -0.28 0.00 0.00 59.70 59.28 2kta h MET 10 Cb 0.29 -0.19 0.00 0.00 -0.80 0.00 0.00 31.60 30.90 2kta h MET 10 CO 0.03 0.56 -0.21 -0.22 0.23 0.00 0.00 176.91 177.29 2kta h LYS 11 N 0.88 0.26 -0.70 0.39 3.11 -0.46 -2.86 116.57 117.19 2kta h LYS 11 Ca 0.37 -0.19 0.08 0.00 -2.81 0.00 0.00 60.65 58.10 2kta h LYS 11 Cb 0.31 0.03 -0.04 0.00 -1.00 0.00 0.00 32.23 31.53 2kta h LYS 11 CO -0.14 0.82 0.46 -0.91 -2.81 0.00 0.00 179.45 176.87 2kta h ASN 12 N -0.25 0.56 0.07 4.20 2.35 0.14 0.55 115.58 123.20 2kta h ASN 12 Ca -0.01 0.01 -0.00 0.00 -0.55 0.00 0.00 56.30 55.75 2kta h ASN 12 Cb 0.84 -0.11 0.00 0.00 0.05 0.00 0.00 38.32 39.10 2kta h ASN 12 CO 0.05 0.35 -0.04 0.22 -1.65 0.00 0.00 177.43 176.36 2kta h TYR 13 N 0.63 -0.09 -0.69 1.19 3.20 -0.84 0.13 116.97 120.50 2kta h TYR 13 Ca 0.31 -0.00 -0.06 0.00 3.14 0.00 0.00 58.73 62.12 2kta h TYR 13 Cb 0.40 0.03 -0.03 0.00 1.54 0.00 0.00 36.73 38.67 2kta h TYR 13 CO -0.00 -0.06 0.21 0.93 -1.64 0.00 0.00 178.16 177.60 2kta h GLU 14 N -0.10 1.07 -0.63 1.82 4.39 -0.97 -0.89 114.58 119.27 2kta h GLU 14 Ca -0.01 -0.22 -0.02 0.00 0.34 0.00 0.00 59.36 59.45 2kta h GLU 14 Cb 0.08 -0.16 -0.03 0.00 -0.10 0.00 0.00 28.75 28.54 2kta h GLU 14 CO 0.01 0.91 0.31 1.49 -1.16 0.00 0.00 179.01 180.57 2kta h GLU 15 N 1.02 0.89 0.03 2.33 4.81 0.42 -0.57 114.58 123.50 2kta h GLU 15 Ca 0.22 -0.11 -0.19 0.00 -0.13 0.00 0.00 59.36 59.15 2kta h GLU 15 Cb 0.30 -0.17 0.02 0.00 0.63 0.00 0.00 28.75 29.52 2kta h GLU 15 CO -0.01 0.68 -0.77 1.25 -0.73 0.00 0.00 179.01 179.44 2kta h LEU 16 N 0.89 0.62 0.37 1.64 6.46 -0.42 -2.43 115.31 122.44 2kta h LEU 16 Ca 0.22 -0.79 -0.00 0.00 -0.12 0.00 0.00 57.88 57.19 2kta h LEU 16 Cb 0.08 -0.19 -0.02 0.00 -0.73 0.00 0.00 40.66 39.80 2kta h LEU 16 CO -0.03 1.33 -0.37 0.11 -0.62 0.00 0.00 178.44 178.86 2kta h LYS 17 N -0.03 -0.74 -0.22 1.25 1.57 -0.89 0.18 116.57 117.70 2kta h LYS 17 Ca -0.10 0.05 0.06 0.00 -1.87 0.00 0.00 60.65 58.78 2kta h LYS 17 Cb 1.48 0.17 -0.01 0.00 0.08 0.00 0.00 32.23 33.95 2kta h LYS 17 CO 0.15 -0.49 0.15 0.66 -0.57 0.00 0.00 179.45 179.35 2kta h SER 18 N -0.77 0.02 -0.01 0.86 4.64 -1.22 -0.20 113.55 116.87 2kta h SER 18 Ca -0.03 -0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.29 2kta h SER 18 Cb 0.69 -0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.78 2kta h SER 18 CO -0.06 0.01 -0.02 0.15 -0.87 0.00 0.00 176.83 176.04 2kta h PHE 19 N 0.02 0.04 -0.81 4.77 3.04 -0.81 -1.90 116.94 121.30 2kta h PHE 19 Ca 0.10 -0.01 0.02 0.00 3.98 0.00 0.00 57.97 62.05 2kta h PHE 19 Cb 0.38 -0.01 -0.04 0.00 2.56 0.00 0.00 35.95 38.84 2kta h PHE 19 CO -0.00 0.56 0.53 0.28 -2.02 0.00 0.00 178.31 177.66 2kta h VAL 20 N -0.49 1.18 0.00 1.41 2.07 0.10 0.31 116.25 120.84 2kta h VAL 20 Ca 0.00 -0.37 0.00 0.00 0.82 0.00 0.00 66.70 67.16 2kta h VAL 20 Cb 0.55 0.02 0.00 0.00 -1.52 0.00 0.00 31.29 30.35 2kta h VAL 20 CO 0.00 0.19 0.00 0.08 0.02 0.00 0.00 177.57 177.87 2kta h ARG 21 N 1.07 0.00 0.02 1.57 0.11 -1.06 -0.25 114.38 115.84 2kta h ARG 21 Ca 0.30 0.00 -0.36 0.00 0.10 0.00 0.00 59.98 60.02 2kta h ARG 21 Cb -0.08 0.00 -0.05 0.00 1.11 0.00 0.00 29.97 30.96 2kta h ARG 21 CO -0.07 0.00 -2.02 1.17 0.10 0.00 0.00 179.97 179.15 2kta n LYS 22 N -2.92 0.62 -0.00 0.08 4.81 -0.42 -4.70 118.16 115.64 2kta n LYS 22 Ca 0.02 0.34 0.01 0.00 -0.87 0.00 0.00 58.31 57.82 2kta n LYS 22 Cb 0.39 -1.62 -0.01 0.00 0.02 0.00 0.00 35.03 33.81 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 -3.99 0.00 -2.29 5.64 4.01 0.96 -5.08 117.16 116.40 2kta n TYR 23 Ca -0.42 0.00 -0.04 0.00 -0.16 0.00 0.00 57.90 57.29 2kta n TYR 23 Cb 0.87 -0.04 -0.03 0.00 -0.31 0.00 0.00 39.34 39.83 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 -1.55 -3.20 -0.65 -0.72 5.12 -0.10 -4.97 116.66 110.60 2kta n ARG 24 Ca -0.00 2.56 0.08 0.00 -1.93 0.00 0.00 57.85 58.56 2kta n ARG 24 Cb 0.05 -3.95 -0.04 0.00 -1.16 0.00 0.00 32.46 27.36 2kta n ARG 24 CO 0.00 0.00 0.00 0.54 -1.93 0.00 0.00 177.63 176.24 2kta n ARG 25 N 1.12 -1.47 -3.39 5.56 5.12 -1.26 -4.92 116.66 117.41 2kta n ARG 25 Ca -0.26 1.17 -0.27 0.00 -1.93 0.00 0.00 57.85 56.56 2kta n ARG 25 Cb 0.41 -1.73 -0.10 0.00 -1.16 0.00 0.00 32.46 29.88 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 -3.25 0.85 -0.81 -1.55 -0.71 -1.26 -4.90 117.98 106.36 2kta s PHE 26 Ca 0.00 -2.02 -0.24 0.00 -1.04 0.00 0.00 56.93 53.64 2kta s PHE 26 Cb 0.00 -0.86 0.06 0.00 -1.21 0.00 0.00 43.02 41.01 2kta s PHE 26 CO 0.00 -0.85 1.22 -1.25 -1.34 0.00 0.00 175.22 173.00 2kta s PRO 27 N 0.44 3.31 -1.01 1.99 0.05 -1.26 -3.93 135.00 134.59 2kta s PRO 27 Ca 0.28 -0.79 0.00 0.00 0.05 0.00 0.00 61.00 60.54 2kta s PRO 27 Cb -0.05 -4.55 0.00 0.00 0.05 0.00 0.00 34.50 29.95 2kta s PRO 27 CO -0.13 -2.03 0.00 1.63 0.05 0.00 0.00 177.00 176.52 2kta n LYS 28 N 8.47 -0.79 -0.14 4.56 5.02 -1.26 -4.90 118.16 129.12 2kta n LYS 28 Ca 0.11 0.80 -0.12 0.00 -2.02 0.00 0.00 58.31 57.08 2kta n LYS 28 Cb 0.49 -4.74 -0.01 0.00 -0.02 0.00 0.00 35.03 30.74 2kta n LYS 28 CO 0.00 0.00 0.00 0.77 -0.52 0.00 0.00 177.40 177.65 2kta h SER 29 N 0.00 1.00 -3.68 4.39 0.02 -1.96 -3.47 113.55 109.85 2kta h SER 29 Ca -0.19 -0.42 -0.34 0.00 -0.84 0.00 0.00 61.79 59.99 2kta h SER 29 Cb 0.69 -0.28 -0.01 0.00 0.14 0.00 0.00 62.40 62.94 2kta h SER 29 CO 0.29 1.21 -0.46 0.41 -1.14 0.00 0.00 176.83 177.13 2kta n THR 30 N -4.11 -0.94 -3.53 -2.27 -1.04 -1.26 -4.96 114.28 96.17 2kta n THR 30 Ca -0.01 0.00 -0.35 0.00 -2.04 0.00 0.00 64.05 61.65 2kta n THR 30 Cb 0.49 -2.46 -0.05 0.00 -1.82 0.00 0.00 70.33 66.48 2kta n THR 30 CO 0.00 0.00 0.00 -1.61 -0.64 0.00 0.00 175.07 172.82 2kta s GLU 31 N -5.18 3.81 2.96 -2.82 0.41 -1.26 -4.38 118.70 112.23 2kta s GLU 31 Ca 0.06 0.24 0.00 0.00 -0.41 0.00 0.00 54.97 54.86 2kta s GLU 31 Cb -0.03 -2.98 0.00 0.00 -1.78 0.00 0.00 34.13 29.34 2kta s GLU 31 CO 0.08 0.54 0.00 0.41 -0.49 0.00 0.00 175.26 175.79 2kta n GLY 32 N 0.86 0.69 0.27 -1.39 0.00 -1.26 -1.17 105.19 103.20 2kta n GLY 32 Ca -0.07 -0.87 0.17 0.00 0.00 0.00 0.00 46.02 45.25 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 0.60 0.00 -0.14 1.61 2.35 -1.99 -2.98 115.58 115.02 2kta h ASN 33 Ca 0.00 0.00 -0.05 0.00 -0.55 0.00 0.00 56.30 55.70 2kta h ASN 33 Cb 0.00 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 38.35 2kta h ASN 33 CO 0.00 0.02 -0.05 -0.07 -1.65 0.00 0.00 177.43 175.68 2kta h LEU 34 N 0.00 0.40 -0.82 1.61 3.38 -1.90 0.98 115.31 118.97 2kta h LEU 34 Ca -0.00 -0.08 0.15 0.00 0.09 0.00 0.00 57.88 58.04 2kta h LEU 34 Cb 0.55 -0.11 -0.10 0.00 0.09 0.00 0.00 40.66 41.10 2kta h LEU 34 CO 0.00 0.51 0.38 1.23 0.09 0.00 0.00 178.44 180.65 2kta h GLY 35 N 0.80 1.30 1.79 0.83 0.00 -0.98 -0.05 103.07 106.78 2kta h GLY 35 Ca 0.09 -0.21 -0.24 0.00 0.00 0.00 0.00 47.33 46.97 2kta h GLY 35 CO 0.01 -0.07 -1.14 -1.33 0.00 0.00 0.00 176.54 174.01 2kta h GLY 36 N 0.54 0.09 0.69 4.60 0.00 -1.45 -3.23 103.07 104.30 2kta h GLY 36 Ca 0.45 -0.22 0.03 0.00 0.00 0.00 0.00 47.33 47.59 2kta h GLY 36 CO -0.39 0.19 -0.06 -0.25 0.00 0.00 0.00 176.54 176.03 2kta h TRP 37 N 0.02 -0.15 -0.02 5.60 7.01 0.07 -1.98 115.95 126.50 2kta h TRP 37 Ca -0.07 0.01 -0.05 0.00 2.11 0.00 0.00 58.89 60.89 2kta h TRP 37 Cb 1.85 0.08 -0.01 0.00 -2.10 0.00 0.00 29.16 28.99 2kta h TRP 37 CO 0.02 -0.10 -0.24 0.00 -2.79 0.00 0.00 178.44 175.33 2kta h HIS 39 N 0.04 0.34 0.00 0.00 3.86 -1.39 -1.13 115.15 116.86 2kta h HIS 39 Ca 0.00 -0.03 -0.02 0.00 -1.16 0.00 0.00 60.37 59.17 2kta h HIS 39 Cb 0.45 -0.10 -0.00 0.00 1.06 0.00 0.00 27.41 28.82 2kta h HIS 39 CO 0.00 0.39 -0.08 1.15 0.86 0.00 0.00 177.93 180.25 2kta h THR 40 N 0.18 0.14 0.00 2.45 2.02 -1.18 -3.12 112.91 113.41 2kta h THR 40 Ca 0.07 -1.07 -0.11 0.00 0.77 0.00 0.00 66.41 66.08 2kta h THR 40 Cb 0.20 1.95 -0.02 0.00 -1.74 0.00 0.00 68.15 68.54 2kta h THR 40 CO -0.00 0.07 -0.51 -0.61 0.37 0.00 0.00 175.52 174.84 2kta h GLN 41 N 0.00 0.00 -0.50 6.66 5.75 -0.82 -3.00 115.11 123.19 2kta h GLN 41 Ca -0.00 0.00 0.08 0.00 -0.15 0.00 0.00 58.65 58.58 2kta h GLN 41 Cb 0.94 0.00 -0.07 0.00 1.07 0.00 0.00 27.48 29.42 2kta h GLN 41 CO 0.01 0.51 0.13 0.00 -2.65 0.00 0.00 178.83 176.83 2kta h ARG 42 N 0.00 0.27 0.12 1.69 2.47 -1.14 0.61 114.38 118.41 2kta h ARG 42 Ca -0.01 -0.02 0.01 0.00 -1.26 0.00 0.00 59.98 58.71 2kta h ARG 42 Cb 1.28 -0.06 -0.03 0.00 -1.65 0.00 0.00 29.97 29.50 2kta h ARG 42 CO 0.07 0.18 -0.40 -0.22 0.56 0.00 0.00 179.97 180.16 2kta h LYS 43 N 0.28 -0.57 -0.51 0.04 3.64 -1.65 -2.55 116.57 115.26 2kta h LYS 43 Ca 0.25 0.04 0.06 0.00 -1.27 0.00 0.00 60.65 59.73 2kta h LYS 43 Cb 0.31 0.13 -0.05 0.00 -0.41 0.00 0.00 32.23 32.21 2kta h LYS 43 CO -0.30 -0.38 0.21 0.52 -2.27 0.00 0.00 179.45 177.23 2kta h MET 44 N -0.59 0.40 -0.64 1.90 0.00 -1.43 -2.27 114.93 112.30 2kta h MET 44 Ca -0.01 -0.02 -0.08 0.00 0.00 0.00 0.00 59.70 59.59 2kta h MET 44 Cb 0.58 -0.09 -0.03 0.00 0.00 0.00 0.00 31.60 32.06 2kta h MET 44 CO -0.20 0.26 0.09 0.07 0.00 0.00 0.00 176.91 177.14 2kta h ARG 45 N 0.41 1.05 0.00 1.72 -0.00 -0.77 0.37 114.38 117.16 2kta h ARG 45 Ca 0.24 -0.28 0.00 0.00 -0.00 0.00 0.00 59.98 59.94 2kta h ARG 45 Cb 0.23 -0.12 0.00 0.00 -0.00 0.00 0.00 29.97 30.07 2kta h ARG 45 CO -0.22 0.97 -0.02 1.57 -0.00 0.00 0.00 179.97 182.28 2kta h LYS 46 N 0.99 0.00 0.00 0.08 2.10 -1.36 -2.98 116.57 115.40 2kta h LYS 46 Ca 0.19 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.84 2kta h LYS 46 Cb 0.44 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.77 2kta h LYS 46 CO 0.01 0.00 -0.73 1.04 -2.00 0.00 0.00 179.45 177.78 2kta n GLN 47 N -2.96 0.29 -1.91 0.07 6.02 -0.79 -4.96 117.38 113.15 2kta n GLN 47 Ca 0.04 0.06 -0.07 0.00 -0.01 0.00 0.00 57.00 57.02 2kta n GLN 47 Cb 0.52 -1.66 -0.01 0.00 1.02 0.00 0.00 30.24 30.10 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 1.34 0.29 0.00 1.08 0.00 0.11 -4.91 105.19 103.10 2kta n GLY 48 Ca 0.03 -0.61 0.10 0.00 0.00 0.00 0.00 46.02 45.54 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 -1.98 0.31 -1.78 1.61 5.02 -0.30 -4.95 118.16 116.09 2kta n LYS 49 Ca -0.08 -0.05 -0.41 0.00 -2.02 0.00 0.00 58.31 55.74 2kta n LYS 49 Cb 0.49 -1.48 -0.00 0.00 -0.02 0.00 0.00 35.03 34.01 2kta n LYS 49 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 2kta s LEU 50 N -3.39 4.32 0.03 -0.35 1.43 -1.21 -4.94 118.68 114.56 2kta s LEU 50 Ca 0.03 3.06 -0.30 0.00 -1.03 0.00 0.00 54.13 55.89 2kta s LEU 50 Cb 0.15 -3.66 -0.05 0.00 0.03 0.00 0.00 46.19 42.65 2kta s LEU 50 CO 0.86 -0.91 1.26 -2.16 0.23 0.00 0.00 176.35 175.63 2kta s PRO 51 N -1.83 4.37 0.32 1.29 0.04 -1.26 -4.92 135.00 133.02 2kta s PRO 51 Ca 0.55 1.82 0.01 0.00 0.04 0.00 0.00 61.00 63.41 2kta s PRO 51 Cb -0.47 -3.43 0.55 0.00 0.04 0.00 0.00 34.50 31.19 2kta s PRO 51 CO 0.61 -0.38 1.97 -0.97 0.04 0.00 0.00 177.00 178.27 2kta h ASN 52 N 7.16 0.84 -0.31 6.66 -0.73 -1.98 -2.60 115.58 124.62 2kta h ASN 52 Ca -0.39 -0.02 0.05 0.00 1.87 0.00 0.00 56.30 57.81 2kta h ASN 52 Cb 1.19 -0.20 -0.04 0.00 0.27 0.00 0.00 38.32 39.54 2kta h ASN 52 CO 0.85 0.59 0.05 0.44 -0.37 0.00 0.00 177.43 178.99 2kta h ASP 53 N 0.98 -0.01 0.77 1.15 5.19 -2.00 -2.03 116.42 120.46 2kta h ASP 53 Ca 0.29 0.05 -0.07 0.00 -0.62 0.00 0.00 57.03 56.68 2kta h ASP 53 Cb -0.03 0.08 -0.01 0.00 0.18 0.00 0.00 39.33 39.54 2kta h ASP 53 CO -0.07 0.03 -0.35 0.08 -3.12 0.00 0.00 179.24 175.81 2kta h ARG 54 N 0.16 0.00 -0.89 3.56 -0.00 -1.88 -1.98 114.38 113.34 2kta h ARG 54 Ca 0.15 0.00 -0.02 0.00 -0.00 0.00 0.00 59.98 60.10 2kta h ARG 54 Cb 0.17 0.00 -0.04 0.00 -0.00 0.00 0.00 29.97 30.09 2kta h ARG 54 CO -0.20 0.35 0.47 -0.09 -0.00 0.00 0.00 179.97 180.49 2kta h ARG 55 N 0.00 1.25 -0.08 0.08 2.43 -1.06 -1.13 114.38 115.88 2kta h ARG 55 Ca -0.00 -0.16 -0.12 0.00 -0.81 0.00 0.00 59.98 58.89 2kta h ARG 55 Cb 0.82 -0.24 -0.01 0.00 -0.42 0.00 0.00 29.97 30.12 2kta h ARG 55 CO 0.05 0.93 -0.49 -0.07 -1.51 0.00 0.00 179.97 178.87 2kta h LEU 56 N 1.25 0.22 -0.82 3.80 4.07 -0.95 -0.38 115.31 122.50 2kta h LEU 56 Ca 0.31 -0.10 -0.05 0.00 0.08 0.00 0.00 57.88 58.11 2kta h LEU 56 Cb 0.06 -0.06 -0.03 0.00 1.08 0.00 0.00 40.66 41.70 2kta h LEU 56 CO -0.05 0.68 0.24 -0.07 -1.08 0.00 0.00 178.44 178.16 2kta h LEU 57 N 0.16 1.04 -0.69 1.67 3.38 -0.88 -0.72 115.31 119.26 2kta h LEU 57 Ca 0.01 -0.18 -0.14 0.00 0.09 0.00 0.00 57.88 57.65 2kta h LEU 57 Cb 0.93 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 41.40 2kta h LEU 57 CO 0.07 0.95 -0.54 -0.07 0.09 0.00 0.00 178.44 178.95 2kta h LEU 58 N 1.08 0.34 -1.33 1.67 3.38 -0.86 -2.86 115.31 116.72 2kta h LEU 58 Ca 0.24 -0.18 -0.05 0.00 0.09 0.00 0.00 57.88 57.98 2kta h LEU 58 Cb 0.28 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 40.92 2kta h LEU 58 CO -0.01 0.82 -0.12 -0.78 0.09 0.00 0.00 178.44 178.44 2kta h ASP 59 N 0.24 0.29 -0.84 -0.43 3.58 -0.49 0.31 116.42 119.08 2kta h ASP 59 Ca 0.00 -0.06 -0.02 0.00 0.42 0.00 0.00 57.03 57.37 2kta h ASP 59 Cb 1.03 -0.08 -0.04 0.00 1.72 0.00 0.00 39.33 41.96 2kta h ASP 59 CO 0.09 0.44 0.43 0.11 -2.88 0.00 0.00 179.24 177.43 2kta h LYS 60 N 0.29 1.20 0.00 0.28 6.56 -0.91 -2.41 116.57 121.58 2kta h LYS 60 Ca 0.06 -0.16 0.00 0.00 -1.06 0.00 0.00 60.65 59.49 2kta h LYS 60 Cb 0.39 -0.22 0.00 0.00 -0.57 0.00 0.00 32.23 31.82 2kta h LYS 60 CO 0.02 0.90 -0.49 0.44 -2.06 0.00 0.00 179.45 178.26 2kta n ILE 61 N -4.35 0.18 0.00 1.86 -5.35 -1.07 -4.94 119.36 105.69 2kta n ILE 61 Ca 0.08 -0.13 0.00 0.00 -0.27 0.00 0.00 62.75 62.43 2kta n ILE 61 Cb 0.12 -0.02 0.00 0.00 -1.74 0.00 0.00 39.64 38.00 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 1.42 1.64 3.57 3.28 0.00 -0.61 -4.75 105.19 109.75 2kta n GLY 62 Ca 0.05 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.65 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 2.28 0.46 1.61 5.36 0.10 -4.79 117.98 121.00 2kta s PHE 63 Ca 0.00 0.46 -0.19 0.00 -0.96 0.00 0.00 56.93 56.25 2kta s PHE 63 Cb 0.00 -4.39 -0.10 0.00 -0.34 0.00 0.00 43.02 38.19 2kta s PHE 63 CO 0.00 -1.98 0.95 0.54 -1.46 0.00 0.00 175.22 173.27 2kta s VAL 64 N 6.07 4.47 -0.24 3.12 0.11 -1.26 -4.30 120.40 128.37 2kta s VAL 64 Ca 0.52 1.33 0.11 0.00 -2.93 0.00 0.00 61.98 61.01 2kta s VAL 64 Cb -0.11 -3.65 0.46 0.00 -1.53 0.00 0.00 36.38 31.55 2kta s VAL 64 CO 0.25 -0.47 1.34 0.79 -3.33 0.00 0.00 175.10 173.68 2kta n TRP 65 N -1.03 0.56 0.31 1.54 7.02 -1.26 -4.72 117.44 119.86 2kta n TRP 65 Ca 0.07 -1.49 0.20 0.00 -1.02 0.00 0.00 57.50 55.26 2kta n TRP 65 Cb 0.54 -0.36 1.03 0.00 -2.42 0.00 0.00 31.31 30.10 2kta n TRP 65 CO 0.00 0.00 0.00 0.77 -2.02 0.00 0.00 177.69 176.44 2kta h SER 66 N 0.97 0.00 -0.35 -0.99 0.02 -2.03 -1.44 113.55 109.73 2kta h SER 66 Ca 0.10 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.05 2kta h SER 66 Cb 1.33 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.87 2kta h SER 66 CO 0.19 0.01 0.00 0.18 -1.14 0.00 0.00 176.83 176.08 2kta n LEU 67 N -3.21 2.25 -4.70 5.07 4.32 -1.26 -4.91 117.00 114.55 2kta n LEU 67 Ca -0.02 -1.05 -0.42 0.00 -0.02 0.00 0.00 56.01 54.49 2kta n LEU 67 Cb 0.14 -0.23 -0.03 0.00 -1.62 0.00 0.00 43.42 41.69 2kta n LEU 67 CO 0.23 0.53 0.92 -0.70 -1.22 0.00 0.00 177.39 177.15 2kta s GLU 68 N -1.54 4.40 0.37 3.23 2.12 -0.55 -5.01 118.70 121.72 2kta s GLU 68 Ca 0.31 1.76 -0.26 0.00 0.36 0.00 0.00 54.97 57.15 2kta s GLU 68 Cb 0.17 -3.42 -0.09 0.00 0.26 0.00 0.00 34.13 31.05 2kta s GLU 68 CO 0.23 -0.33 1.14 -1.58 -0.54 0.00 0.00 175.26 174.18 2kta s HIS 69 N 1.46 3.21 -0.45 5.30 5.65 -1.26 -4.92 115.29 124.27 2kta s HIS 69 Ca 0.58 1.60 0.22 0.00 0.25 0.00 0.00 55.06 57.71 2kta s HIS 69 Cb -0.28 -3.33 0.99 0.00 -1.18 0.00 0.00 32.58 28.77 2kta s HIS 69 CO 0.27 -1.04 1.67 0.72 -0.65 0.00 0.00 174.74 175.71 2kta n HIS 70 N 0.28 0.73 -1.80 3.88 -0.00 -1.26 -4.84 115.22 112.23 2kta n HIS 70 Ca 0.03 0.31 -0.17 0.00 -0.00 0.00 0.00 57.72 57.90 2kta n HIS 70 Cb 0.47 -1.00 -0.05 0.00 -0.00 0.00 0.00 29.99 29.41 2kta n HIS 70 CO 0.00 0.00 0.00 1.58 -0.00 0.00 0.00 176.34 177.92 2kta n HIS 71 N -2.19 -0.30 -4.06 4.41 -0.00 -1.26 -4.98 115.22 106.84 2kta n HIS 71 Ca 0.01 0.00 -0.22 0.00 -0.00 0.00 0.00 57.72 57.52 2kta n HIS 71 Cb 0.18 -3.07 -0.04 0.00 -0.00 0.00 0.00 29.99 27.06 2kta n HIS 71 CO 0.00 0.00 0.00 -1.01 -0.00 0.00 0.00 176.34 175.33 2kta s HIS 72 N -2.70 3.16 -0.18 1.57 3.76 -1.26 -5.09 115.29 114.55 2kta s HIS 72 Ca 0.00 -0.11 -0.20 0.00 -0.15 0.00 0.00 55.06 54.60 2kta s HIS 72 Cb 0.00 -1.46 -0.03 0.00 1.11 0.00 0.00 32.58 32.20 2kta s HIS 72 CO 0.00 0.48 0.61 -1.01 -0.85 0.00 0.00 174.74 173.97 2kta s HIS 73 N -2.12 3.40 -2.00 1.40 3.76 -1.26 -5.24 115.29 113.24 2kta s HIS 73 Ca 0.34 0.93 0.28 0.00 -0.15 0.00 0.00 55.06 56.46 2kta s HIS 73 Cb -0.08 -2.76 1.67 0.00 1.11 0.00 0.00 32.58 32.52 2kta s HIS 73 CO 0.26 -0.11 2.01 1.58 -0.85 0.00 0.00 174.74 177.63