#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kta h ASN 2 N 0.00 0.78 -4.29 7.83 4.21 -2.08 -3.45 115.58 118.59 2kta h ASN 2 Ca 0.00 -0.38 -0.25 0.00 1.21 0.00 0.00 56.30 56.88 2kta h ASN 2 Cb 0.00 -0.21 -0.25 0.00 -1.12 0.00 0.00 38.32 36.74 2kta h ASN 2 CO 0.00 0.99 -0.73 -1.10 -1.29 0.00 0.00 177.43 175.30 2kta s GLN 3 N -4.71 0.29 -0.00 0.81 -0.21 -1.26 -5.03 119.66 109.55 2kta s GLN 3 Ca -0.12 -0.35 0.03 0.00 0.02 0.00 0.00 55.36 54.93 2kta s GLN 3 Cb 0.10 -0.13 -0.04 0.00 1.00 0.00 0.00 33.01 33.94 2kta s GLN 3 CO 0.82 0.03 0.06 0.27 -2.12 0.00 0.00 175.29 174.34 2kta n ASN 4 N 2.36 4.31 -4.58 5.90 0.23 -1.26 -5.00 115.26 117.22 2kta n ASN 4 Ca -0.17 -0.01 -0.27 0.00 -0.53 0.00 0.00 54.58 53.59 2kta n ASN 4 Cb 0.57 1.11 -0.09 0.00 -2.08 0.00 0.00 39.78 39.29 2kta n ASN 4 CO 0.00 0.00 0.00 -0.76 -0.93 0.00 0.00 177.26 175.57 2kta s LEU 5 N -3.15 3.02 -1.00 -4.53 1.43 -1.26 -4.69 118.68 108.50 2kta s LEU 5 Ca -0.01 -0.52 -0.00 0.00 -1.03 0.00 0.00 54.13 52.57 2kta s LEU 5 Cb 0.02 -1.73 -0.00 0.00 0.03 0.00 0.00 46.19 44.51 2kta s LEU 5 CO 0.11 0.12 0.84 0.00 0.23 0.00 0.00 176.35 177.64 2kta n GLN 6 N 0.16 -5.29 -1.40 1.70 6.02 -1.26 -4.88 117.38 112.43 2kta n GLN 6 Ca -0.11 0.72 -0.41 0.00 -0.01 0.00 0.00 57.00 57.18 2kta n GLN 6 Cb 0.55 -5.32 -0.05 0.00 1.02 0.00 0.00 30.24 26.44 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 -1.12 2.59 0.33 1.08 0.00 -1.26 -4.71 105.19 102.10 2kta n GLY 7 Ca -0.23 -1.24 0.16 0.00 0.00 0.00 0.00 46.02 44.71 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 7.89 0.00 -0.81 1.61 4.57 -2.01 -1.66 114.58 124.17 2kta h GLU 8 Ca 0.41 0.00 0.05 0.00 -1.18 0.00 0.00 59.36 58.65 2kta h GLU 8 Cb 0.71 0.00 -0.06 0.00 -0.16 0.00 0.00 28.75 29.24 2kta h GLU 8 CO 1.84 0.00 0.50 2.35 -1.18 0.00 0.00 179.01 182.52 2kta h TRP 9 N 0.00 0.93 -0.91 0.92 -0.00 -1.98 0.15 115.95 115.06 2kta h TRP 9 Ca 0.07 0.03 0.02 0.00 -0.00 0.00 0.00 58.89 59.02 2kta h TRP 9 Cb 0.39 -0.30 -0.05 0.00 -0.00 0.00 0.00 29.16 29.20 2kta h TRP 9 CO 0.00 0.48 0.60 1.98 -0.00 0.00 0.00 178.44 181.50 2kta h MET 10 N 0.93 1.14 0.39 2.65 4.05 -1.70 0.22 114.93 122.62 2kta h MET 10 Ca 0.35 -0.07 -0.02 0.00 -0.28 0.00 0.00 59.70 59.68 2kta h MET 10 Cb 0.14 -0.26 0.00 0.00 -0.80 0.00 0.00 31.60 30.68 2kta h MET 10 CO -0.16 0.76 -0.19 -0.22 0.23 0.00 0.00 176.91 177.33 2kta h LYS 11 N 1.18 -0.50 -0.65 0.39 3.64 -1.46 -3.16 116.57 116.01 2kta h LYS 11 Ca 0.35 0.03 0.16 0.00 -1.27 0.00 0.00 60.65 59.92 2kta h LYS 11 Cb -0.05 0.11 -0.04 0.00 -0.41 0.00 0.00 32.23 31.85 2kta h LYS 11 CO -0.10 -0.23 0.45 -0.91 -2.27 0.00 0.00 179.45 176.39 2kta h ASN 12 N -1.04 0.18 0.42 4.20 2.35 -0.62 -1.66 115.58 119.41 2kta h ASN 12 Ca -0.05 0.01 -0.01 0.00 -0.55 0.00 0.00 56.30 55.69 2kta h ASN 12 Cb 0.51 -0.03 -0.01 0.00 0.05 0.00 0.00 38.32 38.85 2kta h ASN 12 CO 0.09 0.10 -0.27 0.22 -1.65 0.00 0.00 177.43 175.91 2kta h TYR 13 N 0.20 -0.72 -0.49 1.19 3.20 -0.57 0.29 116.97 120.08 2kta h TYR 13 Ca 0.31 -0.01 -0.06 0.00 3.14 0.00 0.00 58.73 62.12 2kta h TYR 13 Cb 0.96 0.26 -0.02 0.00 1.54 0.00 0.00 36.73 39.47 2kta h TYR 13 CO -0.00 -0.42 0.05 0.93 -1.64 0.00 0.00 178.16 177.08 2kta h GLU 14 N -0.66 0.78 -0.29 1.82 4.39 -1.30 -0.59 114.58 118.72 2kta h GLU 14 Ca -0.04 -0.18 -0.03 0.00 0.34 0.00 0.00 59.36 59.44 2kta h GLU 14 Cb 0.55 -0.10 -0.01 0.00 -0.10 0.00 0.00 28.75 29.09 2kta h GLU 14 CO 0.03 0.75 0.05 1.49 -1.16 0.00 0.00 179.01 180.17 2kta h GLU 15 N 0.74 0.48 -0.67 2.33 4.57 -1.15 -2.75 114.58 118.13 2kta h GLU 15 Ca 0.15 -0.13 -0.08 0.00 -1.18 0.00 0.00 59.36 58.12 2kta h GLU 15 Cb 0.38 -0.06 -0.03 0.00 -0.16 0.00 0.00 28.75 28.88 2kta h GLU 15 CO 0.01 0.59 0.11 1.25 -1.18 0.00 0.00 179.01 179.78 2kta h LEU 16 N 0.30 1.07 0.23 1.64 5.85 -0.06 0.07 115.31 124.42 2kta h LEU 16 Ca 0.09 -0.26 0.01 0.00 0.84 0.00 0.00 57.88 58.55 2kta h LEU 16 Cb 0.34 -0.29 -0.04 0.00 0.37 0.00 0.00 40.66 41.04 2kta h LEU 16 CO 0.01 1.06 -0.47 0.11 -0.34 0.00 0.00 178.44 178.80 2kta h LYS 17 N 1.04 -0.76 -0.55 1.25 1.57 -1.04 0.10 116.57 118.19 2kta h LYS 17 Ca 0.20 0.05 -0.03 0.00 -1.87 0.00 0.00 60.65 59.01 2kta h LYS 17 Cb 0.45 0.17 -0.03 0.00 0.08 0.00 0.00 32.23 32.91 2kta h LYS 17 CO 0.01 -0.50 0.22 0.77 -0.57 0.00 0.00 179.45 179.38 2kta h SER 18 N -0.79 0.71 -0.13 0.86 0.02 -1.38 0.29 113.55 113.14 2kta h SER 18 Ca -0.01 -0.09 -0.01 0.00 -0.84 0.00 0.00 61.79 60.85 2kta h SER 18 Cb 0.76 -0.18 -0.01 0.00 0.14 0.00 0.00 62.40 63.11 2kta h SER 18 CO -0.20 0.64 0.05 0.15 -1.14 0.00 0.00 176.83 176.33 2kta h PHE 19 N 0.78 0.20 -0.23 3.45 3.57 -0.44 0.06 116.94 124.32 2kta h PHE 19 Ca 0.19 -0.01 -0.19 0.00 3.53 0.00 0.00 57.97 61.49 2kta h PHE 19 Cb 0.15 -0.06 0.00 0.00 2.79 0.00 0.00 35.95 38.83 2kta h PHE 19 CO 0.01 0.28 -0.60 0.28 -2.23 0.00 0.00 178.31 176.05 2kta h VAL 20 N 0.06 1.29 -0.50 1.41 2.07 -0.60 0.14 116.25 120.13 2kta h VAL 20 Ca 0.04 -1.82 0.06 0.00 0.82 0.00 0.00 66.70 65.81 2kta h VAL 20 Cb 0.17 1.76 -0.05 0.00 -1.52 0.00 0.00 31.29 31.64 2kta h VAL 20 CO -0.00 0.58 0.20 -0.09 0.02 0.00 0.00 177.57 178.27 2kta h ARG 21 N 0.56 0.38 0.01 1.57 2.43 -0.21 -0.94 114.38 118.18 2kta h ARG 21 Ca -0.00 -0.02 -0.36 0.00 -0.81 0.00 0.00 59.98 58.79 2kta h ARG 21 Cb 1.20 -0.09 -0.05 0.00 -0.42 0.00 0.00 29.97 30.61 2kta h ARG 21 CO 0.13 0.25 -1.98 1.17 -1.51 0.00 0.00 179.97 178.03 2kta n LYS 22 N -4.97 0.59 -0.01 0.20 4.81 -0.01 -4.64 118.16 114.13 2kta n LYS 22 Ca 0.05 0.39 0.10 0.00 -0.87 0.00 0.00 58.31 57.98 2kta n LYS 22 Cb 0.18 -1.61 -0.15 0.00 0.02 0.00 0.00 35.03 33.47 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 -4.22 0.00 -2.36 5.64 4.01 0.44 -5.05 117.16 115.61 2kta n TYR 23 Ca -0.44 0.00 -0.02 0.00 -0.16 0.00 0.00 57.90 57.28 2kta n TYR 23 Cb 0.82 -0.29 -0.02 0.00 -0.31 0.00 0.00 39.34 39.54 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 -1.94 -3.09 -0.22 -0.72 5.12 -0.36 -4.93 116.66 110.52 2kta n ARG 24 Ca -0.01 2.51 0.03 0.00 -1.93 0.00 0.00 57.85 58.45 2kta n ARG 24 Cb 0.46 -4.18 -0.01 0.00 -1.16 0.00 0.00 32.46 27.57 2kta n ARG 24 CO 0.00 0.00 0.00 2.89 -1.93 0.00 0.00 177.63 178.59 2kta n ARG 25 N 0.93 -0.44 -2.43 5.56 0.00 -1.26 -4.72 116.66 114.31 2kta n ARG 25 Ca -0.17 0.29 -0.38 0.00 -0.00 0.00 0.00 57.85 57.59 2kta n ARG 25 Cb 0.27 -0.54 -0.03 0.00 -0.00 0.00 0.00 32.46 32.16 2kta n ARG 25 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.63 177.57 2kta s PHE 26 N -0.46 3.26 0.12 2.89 0.08 -1.26 -4.75 117.98 117.86 2kta s PHE 26 Ca 0.00 1.62 -0.18 0.00 0.12 0.00 0.00 56.93 58.49 2kta s PHE 26 Cb 0.00 -3.27 -0.04 0.00 -0.57 0.00 0.00 43.02 39.13 2kta s PHE 26 CO 0.00 -0.89 1.71 -1.00 -0.10 0.00 0.00 175.22 174.95 2kta h PRO 27 N 2.87 0.40 0.00 0.24 0.13 -1.93 -3.39 132.00 130.32 2kta h PRO 27 Ca -0.48 -0.05 -0.16 0.00 -0.87 0.00 0.00 66.00 64.44 2kta h PRO 27 Cb 1.22 -0.08 -0.14 0.00 0.13 0.00 0.00 31.00 32.14 2kta h PRO 27 CO 0.63 0.35 -0.26 1.17 -0.23 0.00 0.00 178.00 179.67 2kta n LYS 28 N -4.82 1.16 -0.63 0.86 4.81 -1.26 -5.11 118.16 113.17 2kta n LYS 28 Ca -0.02 -1.12 0.09 0.00 -0.87 0.00 0.00 58.31 56.38 2kta n LYS 28 Cb 0.08 0.42 -0.02 0.00 0.02 0.00 0.00 35.03 35.53 2kta n LYS 28 CO 0.00 0.00 0.00 0.43 1.17 0.00 0.00 177.40 179.00 2kta n SER 29 N -1.32 -4.72 -3.67 3.14 7.64 -1.26 -4.95 113.62 108.48 2kta n SER 29 Ca -0.18 0.68 -0.21 0.00 1.01 0.00 0.00 58.87 60.17 2kta n SER 29 Cb 0.84 -1.91 0.04 0.00 -1.01 0.00 0.00 64.21 62.17 2kta n SER 29 CO 0.00 0.00 0.00 0.41 -3.01 0.00 0.00 175.04 172.44 2kta n THR 30 N -2.47 -4.48 -3.90 0.44 -1.04 -1.26 -4.98 114.28 96.59 2kta n THR 30 Ca 0.00 -0.45 -0.35 0.00 -2.04 0.00 0.00 64.05 61.22 2kta n THR 30 Cb 0.29 -3.91 -0.14 0.00 -1.82 0.00 0.00 70.33 64.75 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 -5.94 2.46 4.46 -2.82 0.41 -1.26 -4.83 118.70 111.18 2kta s GLU 31 Ca 0.07 -1.25 0.00 0.00 -0.41 0.00 0.00 54.97 53.39 2kta s GLU 31 Cb -0.03 -3.20 0.00 0.00 -1.78 0.00 0.00 34.13 29.12 2kta s GLU 31 CO 0.80 -0.61 0.00 0.41 -0.49 0.00 0.00 175.26 175.36 2kta n GLY 32 N 4.64 1.84 0.22 -1.39 0.00 -1.26 -0.72 105.19 108.52 2kta n GLY 32 Ca -0.13 -0.49 -0.04 0.00 0.00 0.00 0.00 46.02 45.36 2kta n GLY 32 CO 0.00 0.00 0.00 -0.57 0.00 0.00 0.00 173.32 172.75 2kta h ASN 33 N 8.61 0.44 -0.31 1.61 -0.73 -2.01 -2.49 115.58 120.69 2kta h ASN 33 Ca 0.00 -0.17 0.01 0.00 1.87 0.00 0.00 56.30 58.01 2kta h ASN 33 Cb 0.00 -0.12 -0.02 0.00 0.27 0.00 0.00 38.32 38.45 2kta h ASN 33 CO 0.00 0.75 0.21 -0.07 -0.37 0.00 0.00 177.43 177.95 2kta h LEU 34 N 0.36 0.33 -0.99 0.34 3.38 -1.90 -0.83 115.31 116.01 2kta h LEU 34 Ca 0.04 -0.01 -0.01 0.00 0.09 0.00 0.00 57.88 57.99 2kta h LEU 34 Cb 0.77 -0.08 -0.04 0.00 0.09 0.00 0.00 40.66 41.40 2kta h LEU 34 CO 0.06 0.24 0.51 1.23 0.09 0.00 0.00 178.44 180.57 2kta h GLY 35 N 0.39 1.30 1.72 0.83 0.00 -0.44 0.15 103.07 107.03 2kta h GLY 35 Ca 0.12 -0.56 -0.21 0.00 0.00 0.00 0.00 47.33 46.67 2kta h GLY 35 CO -0.03 0.54 -0.93 -1.33 0.00 0.00 0.00 176.54 174.79 2kta h GLY 36 N 1.24 0.27 0.90 4.60 0.00 -1.34 -2.21 103.07 106.54 2kta h GLY 36 Ca 0.32 -0.51 -0.02 0.00 0.00 0.00 0.00 47.33 47.12 2kta h GLY 36 CO -0.06 0.45 -0.26 -0.25 0.00 0.00 0.00 176.54 176.42 2kta h TRP 37 N 0.13 -0.69 -0.60 5.60 7.01 -0.74 -3.12 115.95 123.54 2kta h TRP 37 Ca -0.06 -0.01 -0.02 0.00 2.11 0.00 0.00 58.89 60.91 2kta h TRP 37 Cb 1.58 0.24 -0.03 0.00 -2.10 0.00 0.00 29.16 28.86 2kta h TRP 37 CO 0.04 -0.41 0.29 0.00 -2.79 0.00 0.00 178.44 175.57 2kta h HIS 39 N 0.82 0.89 0.04 0.00 3.86 -1.37 0.20 115.15 119.59 2kta h HIS 39 Ca 0.21 0.03 -0.00 0.00 -1.16 0.00 0.00 60.37 59.45 2kta h HIS 39 Cb 0.12 -0.26 0.00 0.00 1.06 0.00 0.00 27.41 28.33 2kta h HIS 39 CO -0.00 0.23 -0.02 1.15 0.86 0.00 0.00 177.93 180.15 2kta h THR 40 N 0.71 1.37 0.00 2.45 2.02 -1.47 -3.37 112.91 114.63 2kta h THR 40 Ca 0.50 -1.53 0.00 0.00 0.77 0.00 0.00 66.41 66.14 2kta h THR 40 Cb 0.69 2.36 0.00 0.00 -1.74 0.00 0.00 68.15 69.46 2kta h THR 40 CO -0.35 0.38 -0.37 0.00 0.37 0.00 0.00 175.52 175.54 2kta n GLN 41 N -4.79 0.17 0.27 6.66 6.02 -0.92 -2.74 117.38 122.05 2kta n GLN 41 Ca -0.09 0.08 0.13 0.00 -0.01 0.00 0.00 57.00 57.12 2kta n GLN 41 Cb 0.32 -1.64 0.75 0.00 1.02 0.00 0.00 30.24 30.70 2kta n GLN 41 CO 0.00 0.00 0.00 0.07 -1.01 0.00 0.00 177.06 176.12 2kta h ARG 42 N 0.00 0.00 0.07 -1.09 -0.00 -0.78 0.17 114.38 112.75 2kta h ARG 42 Ca 0.00 0.00 -0.12 0.00 -0.00 0.00 0.00 59.98 59.86 2kta h ARG 42 Cb 0.65 0.00 0.01 0.00 -0.00 0.00 0.00 29.97 30.63 2kta h ARG 42 CO 0.00 0.10 -0.49 -0.22 -0.00 0.00 0.00 179.97 179.36 2kta h LYS 43 N 0.00 0.22 -0.10 0.08 3.64 -1.70 -3.14 116.57 115.57 2kta h LYS 43 Ca -0.00 -0.32 -0.01 0.00 -1.27 0.00 0.00 60.65 59.05 2kta h LYS 43 Cb 0.31 0.11 -0.01 0.00 -0.41 0.00 0.00 32.23 32.24 2kta h LYS 43 CO 0.01 1.11 0.03 0.52 -2.27 0.00 0.00 179.45 178.86 2kta h MET 44 N -0.51 0.13 -0.45 1.90 0.00 -1.45 0.21 114.93 114.76 2kta h MET 44 Ca -0.08 -0.01 0.02 0.00 0.00 0.00 0.00 59.70 59.63 2kta h MET 44 Cb 1.34 -0.03 -0.03 0.00 0.00 0.00 0.00 31.60 32.88 2kta h MET 44 CO 0.09 0.12 0.28 -0.09 0.00 0.00 0.00 176.91 177.31 2kta h ARG 45 N 0.14 0.54 -0.18 1.72 9.65 -0.72 0.47 114.38 126.00 2kta h ARG 45 Ca 0.04 -0.03 -0.12 0.00 -1.10 0.00 0.00 59.98 58.77 2kta h ARG 45 Cb 0.05 -0.12 0.00 0.00 -1.39 0.00 0.00 29.97 28.51 2kta h ARG 45 CO -0.00 0.36 -0.34 -0.22 2.80 0.00 0.00 179.97 182.57 2kta h LYS 46 N 0.56 0.54 0.00 0.20 3.11 -1.18 -2.82 116.57 116.98 2kta h LYS 46 Ca 0.18 -0.35 0.00 0.00 -2.81 0.00 0.00 60.65 57.67 2kta h LYS 46 Cb -0.00 0.04 0.00 0.00 -1.00 0.00 0.00 32.23 31.27 2kta h LYS 46 CO -0.07 0.96 0.00 1.04 -2.81 0.00 0.00 179.45 178.56 2kta n GLN 47 N -4.32 0.16 -1.86 1.90 6.02 -0.06 -4.86 117.38 114.36 2kta n GLN 47 Ca -0.06 0.50 -0.09 0.00 -0.01 0.00 0.00 57.00 57.34 2kta n GLN 47 Cb 0.50 -1.88 -0.02 0.00 1.02 0.00 0.00 30.24 29.87 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 -0.57 0.37 0.25 1.08 0.00 0.00 -4.89 105.19 101.43 2kta n GLY 48 Ca 0.01 -0.54 0.05 0.00 0.00 0.00 0.00 46.02 45.54 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 -2.18 1.99 -1.75 1.61 2.85 -0.31 -4.99 118.16 115.38 2kta n LYS 49 Ca -0.10 -0.65 -0.41 0.00 -1.05 0.00 0.00 58.31 56.10 2kta n LYS 49 Cb 0.48 -1.11 0.01 0.00 -0.65 0.00 0.00 35.03 33.76 2kta n LYS 49 CO 0.00 0.00 0.00 1.28 -0.05 0.00 0.00 177.40 178.63 2kta n LEU 50 N -0.22 4.63 -4.72 -5.58 4.77 -1.07 -4.95 117.00 109.86 2kta n LEU 50 Ca 0.05 1.18 -0.42 0.00 -0.03 0.00 0.00 56.01 56.79 2kta n LEU 50 Cb 0.23 -1.59 -0.03 0.00 -2.33 0.00 0.00 43.42 39.70 2kta n LEU 50 CO 0.13 -0.09 1.02 -2.84 -1.33 0.00 0.00 177.39 174.28 2kta s PRO 51 N -2.18 4.35 0.41 3.23 0.02 -1.26 -4.92 135.00 134.66 2kta s PRO 51 Ca 0.56 2.03 0.08 0.00 0.02 0.00 0.00 61.00 63.70 2kta s PRO 51 Cb -0.48 -3.24 0.89 0.00 0.02 0.00 0.00 34.50 31.68 2kta s PRO 51 CO 0.61 -0.36 2.05 -0.97 -0.33 0.00 0.00 177.00 178.00 2kta h ASN 52 N 6.39 0.45 -0.19 2.53 -1.24 -1.97 0.29 115.58 121.83 2kta h ASN 52 Ca -0.43 -0.01 0.06 0.00 0.71 0.00 0.00 56.30 56.63 2kta h ASN 52 Cb 1.21 -0.11 -0.06 0.00 0.73 0.00 0.00 38.32 40.09 2kta h ASN 52 CO 0.83 0.32 -0.25 0.44 -1.29 0.00 0.00 177.43 177.48 2kta h ASP 53 N 0.53 -0.79 -0.07 1.15 3.32 -1.99 0.32 116.42 118.90 2kta h ASP 53 Ca 0.16 0.13 -0.02 0.00 0.02 0.00 0.00 57.03 57.33 2kta h ASP 53 Cb 0.01 0.36 -0.00 0.00 0.22 0.00 0.00 39.33 39.92 2kta h ASP 53 CO -0.04 -0.29 -0.03 -0.09 -1.72 0.00 0.00 179.24 177.07 2kta h ARG 54 N -0.28 0.14 -0.93 3.56 2.43 -1.80 -2.30 114.38 115.19 2kta h ARG 54 Ca 0.12 -0.06 0.19 0.00 -0.81 0.00 0.00 59.98 59.43 2kta h ARG 54 Cb 0.47 -0.00 -0.11 0.00 -0.42 0.00 0.00 29.97 29.90 2kta h ARG 54 CO -0.36 0.50 0.50 -0.09 -1.51 0.00 0.00 179.97 179.01 2kta h ARG 55 N -0.23 0.58 -0.22 0.20 1.12 -0.72 -0.51 114.38 114.60 2kta h ARG 55 Ca 0.02 -0.03 -0.15 0.00 -1.11 0.00 0.00 59.98 58.70 2kta h ARG 55 Cb 0.46 -0.13 -0.01 0.00 -0.01 0.00 0.00 29.97 30.28 2kta h ARG 55 CO 0.01 0.38 -0.48 1.25 -3.11 0.00 0.00 179.97 178.02 2kta h LEU 56 N 0.60 0.62 -0.61 3.80 5.85 -0.20 -2.41 115.31 122.95 2kta h LEU 56 Ca 0.55 -0.30 -0.01 0.00 0.84 0.00 0.00 57.88 58.95 2kta h LEU 56 Cb 0.92 -0.17 -0.03 0.00 0.37 0.00 0.00 40.66 41.75 2kta h LEU 56 CO -0.43 1.00 0.33 -0.07 -0.34 0.00 0.00 178.44 178.92 2kta h LEU 57 N 0.45 0.78 -0.61 2.25 3.38 -0.54 0.62 115.31 121.63 2kta h LEU 57 Ca 0.02 -0.10 -0.11 0.00 0.09 0.00 0.00 57.88 57.78 2kta h LEU 57 Cb 1.00 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 41.54 2kta h LEU 57 CO 0.09 0.66 -0.13 -0.07 0.09 0.00 0.00 178.44 179.08 2kta h LEU 58 N 0.84 0.96 -0.96 1.67 4.07 -1.25 -2.32 115.31 118.32 2kta h LEU 58 Ca 0.21 -0.32 -0.10 0.00 0.08 0.00 0.00 57.88 57.75 2kta h LEU 58 Cb 0.06 -0.26 -0.01 0.00 1.08 0.00 0.00 40.66 41.53 2kta h LEU 58 CO -0.03 1.09 -0.48 -0.78 -1.08 0.00 0.00 178.44 177.16 2kta h ASP 59 N 0.85 0.00 -0.22 -0.43 3.58 -1.09 0.13 116.42 119.25 2kta h ASP 59 Ca 0.13 0.00 -0.04 0.00 0.42 0.00 0.00 57.03 57.54 2kta h ASP 59 Cb 0.68 0.00 -0.01 0.00 1.72 0.00 0.00 39.33 41.73 2kta h ASP 59 CO 0.05 0.48 -0.03 0.50 -2.88 0.00 0.00 179.24 177.36 2kta h LYS 60 N 0.00 0.40 0.00 0.28 3.11 -0.58 -2.97 116.57 116.81 2kta h LYS 60 Ca -0.00 -0.14 -0.04 0.00 -2.81 0.00 0.00 60.65 57.65 2kta h LYS 60 Cb 0.92 -0.03 -0.01 0.00 -1.00 0.00 0.00 32.23 32.11 2kta h LYS 60 CO 0.06 0.62 -0.20 -0.84 -2.81 0.00 0.00 179.45 176.29 2kta h ILE 61 N 0.15 0.45 0.00 2.00 3.07 -1.30 -3.47 117.51 118.41 2kta h ILE 61 Ca 0.06 -1.13 0.00 0.00 1.55 0.00 0.00 64.86 65.34 2kta h ILE 61 Cb 0.46 1.81 0.00 0.00 -0.27 0.00 0.00 36.82 38.82 2kta h ILE 61 CO 0.02 0.19 0.00 0.61 -1.05 0.00 0.00 178.15 177.92 2kta n GLY 62 N 0.33 1.76 3.71 0.16 0.00 -0.78 -4.77 105.19 105.60 2kta n GLY 62 Ca 0.01 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.61 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 3.47 0.13 1.61 5.36 0.40 -4.89 117.98 122.06 2kta s PHE 63 Ca 0.00 1.35 -0.30 0.00 -0.96 0.00 0.00 56.93 57.02 2kta s PHE 63 Cb 0.00 -3.39 -0.07 0.00 -0.34 0.00 0.00 43.02 39.23 2kta s PHE 63 CO 0.00 -1.13 1.09 0.54 -1.46 0.00 0.00 175.22 174.27 2kta s VAL 64 N 1.00 4.05 -0.81 3.12 0.11 -1.26 -4.65 120.40 121.96 2kta s VAL 64 Ca 0.58 1.67 0.24 0.00 -2.93 0.00 0.00 61.98 61.54 2kta s VAL 64 Cb -0.29 -4.07 0.01 0.00 -1.53 0.00 0.00 36.38 30.51 2kta s VAL 64 CO 0.29 0.24 1.34 0.79 -3.33 0.00 0.00 175.10 174.43 2kta n TRP 65 N 2.84 0.25 -3.24 1.54 7.02 -1.26 -4.46 117.44 120.13 2kta n TRP 65 Ca 0.04 0.07 -0.45 0.00 -1.02 0.00 0.00 57.50 56.14 2kta n TRP 65 Cb 0.47 -0.43 -0.00 0.00 -2.42 0.00 0.00 31.31 28.92 2kta n TRP 65 CO 0.00 0.00 0.00 -1.54 -2.02 0.00 0.00 177.69 174.13 2kta s SER 66 N -3.58 7.22 -0.27 -0.99 1.04 -1.26 -5.00 113.70 110.85 2kta s SER 66 Ca 0.08 -3.36 -0.17 0.00 0.48 0.00 0.00 55.95 52.98 2kta s SER 66 Cb 0.16 -2.26 -0.03 0.00 0.10 0.00 0.00 66.02 63.99 2kta s SER 66 CO 0.72 -0.43 0.49 -0.22 0.98 0.00 0.00 173.24 174.78 2kta s LEU 67 N -0.41 4.08 0.00 2.42 0.20 -1.26 -4.91 118.68 118.80 2kta s LEU 67 Ca 0.33 0.41 0.00 0.00 0.69 0.00 0.00 54.13 55.56 2kta s LEU 67 Cb -0.08 -2.61 0.00 0.00 -0.43 0.00 0.00 46.19 43.07 2kta s LEU 67 CO -0.06 -0.29 0.00 -0.62 -0.29 0.00 0.00 176.35 175.09 2kta n GLU 68 N 5.53 0.00 -1.03 1.98 1.02 -1.26 -5.04 120.64 121.84 2kta n GLU 68 Ca -0.05 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.09 2kta n GLU 68 Cb 0.50 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.92 2kta n GLU 68 CO 0.00 0.00 0.00 0.72 1.18 0.00 0.00 177.13 179.03 2kta n HIS 69 N 0.00 -2.80 -3.60 -0.32 8.25 -1.26 -5.06 115.22 110.44 2kta n HIS 69 Ca 0.00 1.48 -0.09 0.00 -0.26 0.00 0.00 57.72 58.85 2kta n HIS 69 Cb 0.00 -2.65 -0.10 0.00 1.12 0.00 0.00 29.99 28.37 2kta n HIS 69 CO 0.00 0.00 0.00 -3.38 0.64 0.00 0.00 176.34 173.60 2kta s HIS 70 N -2.57 -0.74 -0.10 4.41 -3.43 -1.26 -5.14 115.29 106.46 2kta s HIS 70 Ca 0.00 1.30 -0.02 0.00 -0.80 0.00 0.00 55.06 55.54 2kta s HIS 70 Cb 0.00 0.19 -0.03 0.00 -1.43 0.00 0.00 32.58 31.31 2kta s HIS 70 CO 0.00 -0.51 -0.02 -1.58 -2.00 0.00 0.00 174.74 170.64 2kta s HIS 71 N 2.57 3.10 -0.31 0.38 2.46 -1.26 -5.06 115.29 117.16 2kta s HIS 71 Ca 0.01 0.08 -0.29 0.00 0.47 0.00 0.00 55.06 55.34 2kta s HIS 71 Cb -0.13 -1.81 -0.01 0.00 -0.13 0.00 0.00 32.58 30.51 2kta s HIS 71 CO -0.13 0.36 1.62 -1.01 -2.47 0.00 0.00 174.74 173.11 2kta s HIS 72 N -0.64 2.09 -0.82 3.88 3.76 -1.26 -4.93 115.29 117.37 2kta s HIS 72 Ca 0.10 0.62 -0.02 0.00 -0.15 0.00 0.00 55.06 55.61 2kta s HIS 72 Cb -0.12 -4.12 0.20 0.00 1.11 0.00 0.00 32.58 29.66 2kta s HIS 72 CO 0.02 -2.64 0.69 -1.58 -0.85 0.00 0.00 174.74 170.38 2kta s HIS 73 N 5.86 3.76 0.00 1.40 5.04 -1.26 -5.39 115.29 124.70 2kta s HIS 73 Ca 0.71 -2.92 0.00 0.00 -1.54 0.00 0.00 55.06 51.32 2kta s HIS 73 Cb -0.21 -3.25 0.00 0.00 0.04 0.00 0.00 32.58 29.17 2kta s HIS 73 CO 0.32 -0.77 0.00 1.58 -2.34 0.00 0.00 174.74 173.52