#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 1.46 -0.08 6.12 3.02 -1.26 -5.04 115.26 119.48 2kta n ASN 2 Ca 0.00 -0.32 -0.10 0.00 -0.03 0.00 0.00 54.58 54.12 2kta n ASN 2 Cb 0.00 0.00 -0.04 0.00 -0.61 0.00 0.00 39.78 39.13 2kta n ASN 2 CO 0.00 0.00 0.00 -0.61 -2.62 0.00 0.00 177.26 174.03 2kta h GLN 3 N 0.00 0.39 0.00 3.52 5.75 -2.05 -3.49 115.11 119.23 2kta h GLN 3 Ca 0.00 -0.08 0.00 0.00 -0.15 0.00 0.00 58.65 58.42 2kta h GLN 3 Cb 0.00 -0.06 0.00 0.00 1.07 0.00 0.00 27.48 28.49 2kta h GLN 3 CO 0.00 0.46 0.00 -1.71 -2.65 0.00 0.00 178.83 174.93 2kta n ASN 4 N -4.75 -4.26 -1.07 -0.69 2.85 -1.26 -3.90 115.26 102.19 2kta n ASN 4 Ca -0.03 0.00 0.11 0.00 -0.11 0.00 0.00 54.58 54.55 2kta n ASN 4 Cb 0.16 0.00 0.21 0.00 1.24 0.00 0.00 39.78 41.38 2kta n ASN 4 CO 0.00 0.00 0.00 0.18 -2.11 0.00 0.00 177.26 175.33 2kta n LEU 5 N 0.00 3.36 -2.21 1.20 4.77 -1.26 -4.52 117.00 118.33 2kta n LEU 5 Ca 0.00 -1.59 -0.29 0.00 -0.03 0.00 0.00 56.01 54.09 2kta n LEU 5 Cb 0.00 -0.26 0.09 0.00 -2.33 0.00 0.00 43.42 40.92 2kta n LEU 5 CO 0.00 0.75 1.37 0.00 -1.33 0.00 0.00 177.39 178.18 2kta n GLN 6 N 1.33 2.43 -0.20 3.23 6.02 -1.25 -4.54 117.38 124.40 2kta n GLN 6 Ca 0.18 -2.89 -0.02 0.00 -0.01 0.00 0.00 57.00 54.26 2kta n GLN 6 Cb 0.56 -2.13 0.19 0.00 1.02 0.00 0.00 30.24 29.88 2kta n GLN 6 CO 0.00 0.00 0.00 0.78 -1.01 0.00 0.00 177.06 176.83 2kta h GLY 7 N 1.93 1.03 0.75 1.08 0.00 -1.80 -1.20 103.07 104.86 2kta h GLY 7 Ca 0.55 -0.50 0.03 0.00 0.00 0.00 0.00 47.33 47.41 2kta h GLY 7 CO 1.34 0.47 0.05 -2.09 0.00 0.00 0.00 176.54 176.31 2kta h GLU 8 N 0.96 0.13 -0.19 4.80 4.81 -1.96 -0.54 114.58 122.59 2kta h GLU 8 Ca 0.23 -0.01 0.04 0.00 -0.13 0.00 0.00 59.36 59.50 2kta h GLU 8 Cb 0.11 -0.03 -0.04 0.00 0.63 0.00 0.00 28.75 29.42 2kta h GLU 8 CO -0.03 0.09 -0.05 2.35 -0.73 0.00 0.00 179.01 180.63 2kta h TRP 9 N 0.14 -0.12 -0.54 0.92 -0.00 -1.76 0.16 115.95 114.75 2kta h TRP 9 Ca 0.10 0.02 0.05 0.00 -0.00 0.00 0.00 58.89 59.07 2kta h TRP 9 Cb 0.10 0.08 -0.05 0.00 -0.00 0.00 0.00 29.16 29.29 2kta h TRP 9 CO -0.15 -0.09 0.27 1.98 -0.00 0.00 0.00 178.44 180.44 2kta h MET 10 N -0.01 0.49 -0.23 2.65 4.05 -0.95 0.25 114.93 121.18 2kta h MET 10 Ca 0.09 -0.03 -0.07 0.00 -0.28 0.00 0.00 59.70 59.42 2kta h MET 10 Cb 0.15 -0.11 -0.01 0.00 -0.80 0.00 0.00 31.60 30.84 2kta h MET 10 CO -0.20 0.33 -0.11 -0.22 0.23 0.00 0.00 176.91 176.93 2kta h LYS 11 N 0.51 0.48 -0.24 0.39 3.11 -0.65 -2.97 116.57 117.20 2kta h LYS 11 Ca 0.25 -0.21 -0.13 0.00 -2.81 0.00 0.00 60.65 57.74 2kta h LYS 11 Cb 0.18 -0.01 -0.01 0.00 -1.00 0.00 0.00 32.23 31.38 2kta h LYS 11 CO -0.18 0.75 -0.41 -0.91 -2.81 0.00 0.00 179.45 175.89 2kta h ASN 12 N 0.19 0.60 0.06 4.20 2.35 -0.41 -2.63 115.58 119.94 2kta h ASN 12 Ca 0.05 -0.27 0.00 0.00 -0.55 0.00 0.00 56.30 55.53 2kta h ASN 12 Cb 0.61 -0.17 -0.01 0.00 0.05 0.00 0.00 38.32 38.80 2kta h ASN 12 CO 0.03 0.94 -0.06 0.22 -1.65 0.00 0.00 177.43 176.92 2kta h TYR 13 N 0.46 -0.14 0.00 1.19 3.20 -0.48 0.78 116.97 121.98 2kta h TYR 13 Ca 0.04 0.00 -0.05 0.00 3.14 0.00 0.00 58.73 61.86 2kta h TYR 13 Cb 0.92 0.06 -0.01 0.00 1.54 0.00 0.00 36.73 39.24 2kta h TYR 13 CO 0.04 -0.09 -0.22 1.05 -1.64 0.00 0.00 178.16 177.30 2kta h GLU 14 N -0.13 0.00 -0.21 1.82 4.11 -1.52 0.41 114.58 119.06 2kta h GLU 14 Ca 0.00 0.00 -0.18 0.00 0.07 0.00 0.00 59.36 59.25 2kta h GLU 14 Cb 0.12 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.38 2kta h GLU 14 CO -0.01 0.22 -0.57 1.49 0.07 0.00 0.00 179.01 180.20 2kta h GLU 15 N 0.00 0.76 0.04 1.06 4.81 -1.03 -2.26 114.58 117.97 2kta h GLU 15 Ca -0.00 -0.54 -0.23 0.00 -0.13 0.00 0.00 59.36 58.46 2kta h GLU 15 Cb 0.61 0.09 -0.02 0.00 0.63 0.00 0.00 28.75 30.06 2kta h GLU 15 CO 0.03 1.16 -1.07 1.25 -0.73 0.00 0.00 179.01 179.65 2kta h LEU 16 N 0.49 0.13 -0.23 1.64 6.46 -0.43 -1.63 115.31 121.74 2kta h LEU 16 Ca -0.01 -0.14 0.04 0.00 -0.12 0.00 0.00 57.88 57.65 2kta h LEU 16 Cb 1.19 -0.04 -0.04 0.00 -0.73 0.00 0.00 40.66 41.04 2kta h LEU 16 CO 0.12 1.11 -0.04 0.50 -0.62 0.00 0.00 178.44 179.51 2kta h LYS 17 N 0.02 0.02 -0.02 1.25 3.64 -0.20 0.30 116.57 121.59 2kta h LYS 17 Ca -0.05 -0.00 -0.14 0.00 -1.27 0.00 0.00 60.65 59.19 2kta h LYS 17 Cb 1.83 -0.01 -0.02 0.00 -0.41 0.00 0.00 32.23 33.62 2kta h LYS 17 CO 0.15 0.02 -0.64 0.77 -2.27 0.00 0.00 179.45 177.47 2kta h SER 18 N 0.02 0.10 -0.10 4.20 0.02 -1.36 -2.27 113.55 114.17 2kta h SER 18 Ca 0.11 -0.06 -0.05 0.00 -0.84 0.00 0.00 61.79 60.94 2kta h SER 18 Cb 0.16 -0.03 -0.00 0.00 0.14 0.00 0.00 62.40 62.67 2kta h SER 18 CO -0.22 0.72 -0.15 0.15 -1.14 0.00 0.00 176.83 176.19 2kta h PHE 19 N 0.06 0.34 -0.29 3.45 3.57 -0.78 -3.07 116.94 120.22 2kta h PHE 19 Ca -0.01 -0.11 -0.07 0.00 3.53 0.00 0.00 57.97 61.31 2kta h PHE 19 Cb 1.15 -0.07 -0.02 0.00 2.79 0.00 0.00 35.95 39.81 2kta h PHE 19 CO 0.01 0.74 -0.10 0.28 -2.23 0.00 0.00 178.31 177.01 2kta h VAL 20 N -0.16 1.22 -0.01 1.41 2.07 -0.45 0.95 116.25 121.28 2kta h VAL 20 Ca 0.01 -0.96 0.00 0.00 0.82 0.00 0.00 66.70 66.57 2kta h VAL 20 Cb 0.71 1.11 -0.00 0.00 -1.52 0.00 0.00 31.29 31.59 2kta h VAL 20 CO 0.03 0.31 0.08 -0.09 0.02 0.00 0.00 177.57 177.93 2kta h ARG 21 N 0.45 0.00 0.00 1.57 1.12 -1.34 0.35 114.38 116.53 2kta h ARG 21 Ca 0.09 0.00 -0.44 0.00 -1.11 0.00 0.00 59.98 58.52 2kta h ARG 21 Cb 0.45 0.00 -0.07 0.00 -0.01 0.00 0.00 29.97 30.35 2kta h ARG 21 CO 0.03 0.00 -2.51 1.17 -3.11 0.00 0.00 179.97 175.55 2kta n LYS 22 N -3.17 0.59 -0.03 0.20 4.81 -0.38 -4.79 118.16 115.39 2kta n LYS 22 Ca -0.02 0.23 -0.01 0.00 -0.87 0.00 0.00 58.31 57.64 2kta n LYS 22 Cb 0.15 -1.48 -0.07 0.00 0.02 0.00 0.00 35.03 33.65 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 -4.00 0.00 -2.68 5.64 4.01 0.19 -5.08 117.16 115.23 2kta n TYR 23 Ca -0.52 0.00 -0.01 0.00 -0.16 0.00 0.00 57.90 57.21 2kta n TYR 23 Cb 0.90 -0.34 -0.01 0.00 -0.31 0.00 0.00 39.34 39.58 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 -2.12 -3.74 -0.92 -0.72 3.00 0.12 -4.92 116.66 107.36 2kta n ARG 24 Ca -0.09 2.94 0.11 0.00 -0.01 0.00 0.00 57.85 60.80 2kta n ARG 24 Cb 0.56 -5.32 -0.06 0.00 0.00 0.00 0.00 32.46 27.65 2kta n ARG 24 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.63 175.50 2kta n ARG 25 N 0.91 -2.12 -3.69 5.56 0.63 -1.26 -4.83 116.66 111.86 2kta n ARG 25 Ca -0.09 1.72 -0.29 0.00 -0.92 0.00 0.00 57.85 58.27 2kta n ARG 25 Cb 0.14 -2.49 -0.12 0.00 0.45 0.00 0.00 32.46 30.44 2kta n ARG 25 CO 0.00 0.00 0.00 -0.59 -2.51 0.00 0.00 177.63 174.53 2kta s PHE 26 N -3.68 2.05 0.38 -0.14 -0.71 -1.26 -4.93 117.98 109.70 2kta s PHE 26 Ca 0.00 -2.52 0.38 0.00 -1.04 0.00 0.00 56.93 53.75 2kta s PHE 26 Cb 0.00 -1.85 1.85 0.00 -1.21 0.00 0.00 43.02 41.81 2kta s PHE 26 CO 0.00 -0.76 2.17 -1.35 -1.34 0.00 0.00 175.22 173.94 2kta h PRO 27 N 6.41 0.00 0.00 1.99 0.11 -1.98 -3.12 132.00 135.41 2kta h PRO 27 Ca 0.05 0.00 -0.18 0.00 0.11 0.00 0.00 66.00 65.99 2kta h PRO 27 Cb 0.90 0.00 -0.03 0.00 0.11 0.00 0.00 31.00 31.99 2kta h PRO 27 CO 0.49 0.01 -0.95 -0.22 -0.21 0.00 0.00 178.00 177.12 2kta h LYS 28 N 0.00 0.00 -4.65 1.05 3.64 -2.02 -3.50 116.57 111.09 2kta h LYS 28 Ca -0.00 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.37 2kta h LYS 28 Cb 0.27 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.09 2kta h LYS 28 CO 0.00 1.00 -0.43 0.45 -2.27 0.00 0.00 179.45 178.20 2kta n SER 29 N -4.47 -6.38 -0.36 4.20 2.88 -1.18 -5.01 113.62 103.31 2kta n SER 29 Ca -0.27 0.51 0.00 0.00 -1.33 0.00 0.00 58.87 57.79 2kta n SER 29 Cb 0.64 -4.22 0.00 0.00 -0.75 0.00 0.00 64.21 59.88 2kta n SER 29 CO 0.00 0.00 0.00 0.35 -1.23 0.00 0.00 175.04 174.16 2kta n THR 30 N -0.20 0.08 -0.43 2.46 -2.24 -1.26 -4.86 114.28 107.83 2kta n THR 30 Ca 0.07 -0.09 0.09 0.00 -2.27 0.00 0.00 64.05 61.85 2kta n THR 30 Cb 0.28 0.59 0.33 0.00 -2.10 0.00 0.00 70.33 69.43 2kta n THR 30 CO 0.00 0.00 0.00 -1.84 -0.57 0.00 0.00 175.07 172.66 2kta n GLU 31 N -0.06 3.49 0.00 -0.78 0.00 -1.26 -4.99 120.64 117.04 2kta n GLU 31 Ca 0.01 -2.66 0.00 0.00 0.00 0.00 0.00 57.16 54.50 2kta n GLU 31 Cb 0.64 -1.84 0.00 0.00 0.00 0.00 0.00 31.44 30.25 2kta n GLU 31 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 2kta n GLY 32 N 1.14 1.81 0.25 -1.84 0.00 -1.26 -4.18 105.19 101.11 2kta n GLY 32 Ca 0.24 0.20 -0.14 0.00 0.00 0.00 0.00 46.02 46.32 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 0.00 -0.48 -0.04 1.61 -1.24 -1.99 0.93 115.58 114.36 2kta h ASN 33 Ca 0.00 -0.10 -0.09 0.00 0.71 0.00 0.00 56.30 56.83 2kta h ASN 33 Cb 0.00 0.12 -0.01 0.00 0.73 0.00 0.00 38.32 39.16 2kta h ASN 33 CO 0.00 -0.16 -0.23 -0.07 -1.29 0.00 0.00 177.43 175.67 2kta h LEU 34 N -0.82 0.45 -0.70 0.34 3.38 -1.99 -1.25 115.31 114.71 2kta h LEU 34 Ca -0.06 -0.14 0.02 0.00 0.09 0.00 0.00 57.88 57.79 2kta h LEU 34 Cb 0.55 -0.12 -0.04 0.00 0.09 0.00 0.00 40.66 41.14 2kta h LEU 34 CO 0.10 0.69 0.45 1.23 0.09 0.00 0.00 178.44 181.00 2kta h GLY 35 N 1.00 1.00 1.24 0.83 0.00 -1.76 0.18 103.07 105.56 2kta h GLY 35 Ca 0.06 -0.35 -0.20 0.00 0.00 0.00 0.00 47.33 46.84 2kta h GLY 35 CO 0.05 0.32 -0.66 -1.33 0.00 0.00 0.00 176.54 174.91 2kta h GLY 36 N 0.91 0.85 1.01 4.60 0.00 -0.55 -2.17 103.07 107.72 2kta h GLY 36 Ca 0.27 -1.10 0.01 0.00 0.00 0.00 0.00 47.33 46.51 2kta h GLY 36 CO -0.08 0.98 0.49 -0.25 0.00 0.00 0.00 176.54 177.67 2kta h TRP 37 N 0.56 0.95 -0.55 5.60 7.01 -0.82 -1.72 115.95 126.98 2kta h TRP 37 Ca -0.02 0.02 -0.09 0.00 2.11 0.00 0.00 58.89 60.91 2kta h TRP 37 Cb 1.27 -0.32 -0.02 0.00 -2.10 0.00 0.00 29.16 27.99 2kta h TRP 37 CO 0.07 0.60 -0.03 0.00 -2.79 0.00 0.00 178.44 176.30 2kta h HIS 39 N 0.88 0.25 -0.28 0.00 3.86 -0.80 -1.10 115.15 117.96 2kta h HIS 39 Ca 0.16 0.01 -0.10 0.00 -1.16 0.00 0.00 60.37 59.28 2kta h HIS 39 Cb 0.56 -0.08 -0.01 0.00 1.06 0.00 0.00 27.41 28.93 2kta h HIS 39 CO 0.04 0.15 -0.23 1.15 0.86 0.00 0.00 177.93 179.89 2kta h THR 40 N 0.28 1.26 0.00 2.45 2.02 -1.22 -3.10 112.91 114.61 2kta h THR 40 Ca 0.10 -1.26 -0.05 0.00 0.77 0.00 0.00 66.41 65.98 2kta h THR 40 Cb 0.01 1.30 -0.01 0.00 -1.74 0.00 0.00 68.15 67.71 2kta h THR 40 CO -0.05 0.40 -0.21 -0.61 0.37 0.00 0.00 175.52 175.42 2kta h GLN 41 N 0.47 0.00 -0.52 6.66 5.75 0.03 -2.34 115.11 125.16 2kta h GLN 41 Ca 0.07 0.00 0.07 0.00 -0.15 0.00 0.00 58.65 58.65 2kta h GLN 41 Cb 0.66 0.00 -0.06 0.00 1.07 0.00 0.00 27.48 29.15 2kta h GLN 41 CO 0.05 0.21 0.18 0.00 -2.65 0.00 0.00 178.83 176.62 2kta h ARG 42 N 0.00 0.34 0.00 1.69 2.47 -1.15 -1.61 114.38 116.12 2kta h ARG 42 Ca -0.00 -0.02 -0.04 0.00 -1.26 0.00 0.00 59.98 58.66 2kta h ARG 42 Cb 0.42 -0.08 -0.01 0.00 -1.65 0.00 0.00 29.97 28.66 2kta h ARG 42 CO 0.03 0.23 -0.18 0.87 0.56 0.00 0.00 179.97 181.48 2kta h LYS 43 N 0.35 0.00 -0.21 0.04 6.56 -1.58 -0.32 116.57 121.41 2kta h LYS 43 Ca 0.25 0.00 -0.04 0.00 -1.06 0.00 0.00 60.65 59.80 2kta h LYS 43 Cb 0.29 0.00 -0.01 0.00 -0.57 0.00 0.00 32.23 31.94 2kta h LYS 43 CO -0.27 0.18 -0.04 0.52 -2.06 0.00 0.00 179.45 177.79 2kta h MET 44 N 0.00 0.40 -0.02 3.15 2.86 -1.19 0.24 114.93 120.37 2kta h MET 44 Ca -0.00 -0.14 -0.22 0.00 -2.06 0.00 0.00 59.70 57.28 2kta h MET 44 Cb 0.84 -0.03 0.00 0.00 0.06 0.00 0.00 31.60 32.47 2kta h MET 44 CO 0.02 0.63 -0.90 -0.09 1.06 0.00 0.00 176.91 177.63 2kta h ARG 45 N 0.13 0.41 -0.26 1.72 1.12 -1.30 -0.70 114.38 115.50 2kta h ARG 45 Ca 0.06 -0.42 -0.00 0.00 -1.11 0.00 0.00 59.98 58.50 2kta h ARG 45 Cb 0.47 0.12 -0.01 0.00 -0.01 0.00 0.00 29.97 30.54 2kta h ARG 45 CO 0.02 1.08 0.15 -0.22 -3.11 0.00 0.00 179.97 177.89 2kta h LYS 46 N 0.24 0.35 -0.01 0.20 3.11 -0.96 -3.03 116.57 116.47 2kta h LYS 46 Ca -0.07 -0.03 -0.18 0.00 -2.81 0.00 0.00 60.65 57.56 2kta h LYS 46 Cb 1.53 -0.07 -0.02 0.00 -1.00 0.00 0.00 32.23 32.67 2kta h LYS 46 CO 0.16 0.28 -0.81 0.37 -2.81 0.00 0.00 179.45 176.64 2kta h GLN 47 N 0.32 0.14 0.00 1.90 4.15 -0.53 -3.47 115.11 117.61 2kta h GLN 47 Ca 0.09 -0.14 0.00 0.00 0.77 0.00 0.00 58.65 59.37 2kta h GLN 47 Cb 0.03 0.04 0.00 0.00 0.21 0.00 0.00 27.48 27.75 2kta h GLN 47 CO -0.02 0.87 0.00 0.41 -1.93 0.00 0.00 178.83 178.17 2kta n GLY 48 N 0.74 0.79 0.38 2.39 0.00 -0.36 -4.95 105.19 104.18 2kta n GLY 48 Ca -0.02 -0.51 0.12 0.00 0.00 0.00 0.00 46.02 45.60 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 -2.24 1.01 -1.73 1.61 2.85 -0.68 -4.95 118.16 114.03 2kta n LYS 49 Ca 0.00 -0.76 -0.42 0.00 -1.05 0.00 0.00 58.31 56.08 2kta n LYS 49 Cb 0.04 -1.48 -0.01 0.00 -0.65 0.00 0.00 35.03 32.93 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 -0.34 4.01 -4.70 -5.58 4.77 -1.01 -4.96 117.00 109.20 2kta n LEU 50 Ca 0.10 1.20 -0.41 0.00 -0.03 0.00 0.00 56.01 56.87 2kta n LEU 50 Cb 0.41 -1.54 -0.04 0.00 -2.33 0.00 0.00 43.42 39.93 2kta n LEU 50 CO 0.28 -0.20 0.61 -2.84 -1.33 0.00 0.00 177.39 173.92 2kta s PRO 51 N -1.66 4.46 0.52 3.23 0.02 -1.26 -4.95 135.00 135.36 2kta s PRO 51 Ca 0.57 1.21 0.20 0.00 0.02 0.00 0.00 61.00 62.99 2kta s PRO 51 Cb -0.54 -3.49 1.35 0.00 0.02 0.00 0.00 34.50 31.85 2kta s PRO 51 CO 0.60 -0.12 2.14 -0.91 -0.33 0.00 0.00 177.00 178.38 2kta h ASN 52 N 6.93 0.00 -0.22 2.53 2.35 -1.97 0.26 115.58 125.46 2kta h ASN 52 Ca -0.37 0.00 -0.04 0.00 -0.55 0.00 0.00 56.30 55.34 2kta h ASN 52 Cb 1.19 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 39.55 2kta h ASN 52 CO 0.78 0.05 -0.03 0.44 -1.65 0.00 0.00 177.43 177.03 2kta h ASP 53 N 0.00 0.41 -0.72 5.81 3.32 -1.98 0.50 116.42 123.76 2kta h ASP 53 Ca -0.00 -0.34 -0.03 0.00 0.02 0.00 0.00 57.03 56.68 2kta h ASP 53 Cb 0.09 -0.11 -0.03 0.00 0.22 0.00 0.00 39.33 39.50 2kta h ASP 53 CO 0.01 0.65 0.34 -0.09 -1.72 0.00 0.00 179.24 178.43 2kta h ARG 54 N 0.16 1.04 -0.47 3.56 1.12 -1.70 0.24 114.38 118.32 2kta h ARG 54 Ca 0.06 -0.16 -0.01 0.00 -1.11 0.00 0.00 59.98 58.76 2kta h ARG 54 Cb 0.46 -0.19 -0.02 0.00 -0.01 0.00 0.00 29.97 30.21 2kta h ARG 54 CO 0.02 0.82 0.24 -0.09 -3.11 0.00 0.00 179.97 177.85 2kta h ARG 55 N 1.01 0.67 -0.32 0.20 1.12 -0.29 -2.90 114.38 113.86 2kta h ARG 55 Ca 0.25 -0.09 -0.13 0.00 -1.11 0.00 0.00 59.98 58.90 2kta h ARG 55 Cb 0.13 -0.13 -0.01 0.00 -0.01 0.00 0.00 29.97 29.95 2kta h ARG 55 CO -0.03 0.55 -0.30 1.25 -3.11 0.00 0.00 179.97 178.33 2kta h LEU 56 N 0.62 0.81 -0.73 3.80 6.46 0.32 -2.37 115.31 124.23 2kta h LEU 56 Ca 0.17 -0.46 0.04 0.00 -0.12 0.00 0.00 57.88 57.51 2kta h LEU 56 Cb 0.09 -0.23 -0.05 0.00 -0.73 0.00 0.00 40.66 39.74 2kta h LEU 56 CO -0.02 1.11 0.45 -0.07 -0.62 0.00 0.00 178.44 179.28 2kta h LEU 57 N 0.53 0.71 -0.65 2.25 4.07 -0.89 0.11 115.31 121.45 2kta h LEU 57 Ca 0.05 0.01 -0.15 0.00 0.08 0.00 0.00 57.88 57.88 2kta h LEU 57 Cb 0.87 -0.14 -0.01 0.00 1.08 0.00 0.00 40.66 42.46 2kta h LEU 57 CO 0.07 0.48 -0.58 -0.07 -1.08 0.00 0.00 178.44 177.26 2kta h LEU 58 N 0.85 0.33 -0.83 1.67 4.07 -1.51 -2.76 115.31 117.14 2kta h LEU 58 Ca 0.31 -0.18 -0.07 0.00 0.08 0.00 0.00 57.88 58.01 2kta h LEU 58 Cb 0.09 -0.10 -0.02 0.00 1.08 0.00 0.00 40.66 41.71 2kta h LEU 58 CO -0.14 0.84 0.08 -0.78 -1.08 0.00 0.00 178.44 177.36 2kta h ASP 59 N 0.22 0.91 0.49 -0.43 1.82 -0.75 0.19 116.42 118.88 2kta h ASP 59 Ca -0.00 -0.21 -0.10 0.00 -0.39 0.00 0.00 57.03 56.33 2kta h ASP 59 Cb 1.08 -0.24 -0.01 0.00 0.68 0.00 0.00 39.33 40.84 2kta h ASP 59 CO 0.09 0.92 -0.49 0.11 -1.61 0.00 0.00 179.24 178.26 2kta h LYS 60 N 0.89 0.00 -0.00 0.28 6.56 -0.68 -2.39 116.57 121.23 2kta h LYS 60 Ca 0.18 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.77 2kta h LYS 60 Cb 0.42 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 32.08 2kta h LYS 60 CO 0.01 0.49 -0.20 0.44 -2.06 0.00 0.00 179.45 178.14 2kta n ILE 61 N -3.95 0.00 0.00 1.86 -5.35 -1.05 -4.91 119.36 105.96 2kta n ILE 61 Ca -0.02 -0.02 0.00 0.00 -0.27 0.00 0.00 62.75 62.45 2kta n ILE 61 Cb 0.51 -0.14 0.00 0.00 -1.74 0.00 0.00 39.64 38.27 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 1.44 1.37 3.57 3.28 0.00 -0.90 -4.53 105.19 109.42 2kta n GLY 62 Ca 0.09 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.69 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 2.49 0.15 1.61 5.36 0.65 -4.51 117.98 121.73 2kta s PHE 63 Ca 0.00 0.33 -0.30 0.00 -0.96 0.00 0.00 56.93 56.00 2kta s PHE 63 Cb 0.00 -4.52 -0.07 0.00 -0.34 0.00 0.00 43.02 38.09 2kta s PHE 63 CO 0.00 -1.75 0.94 0.54 -1.46 0.00 0.00 175.22 173.48 2kta s VAL 64 N 5.30 4.36 -0.05 3.12 0.11 -1.26 -4.31 120.40 127.67 2kta s VAL 64 Ca 0.43 2.04 0.13 0.00 -2.93 0.00 0.00 61.98 61.65 2kta s VAL 64 Cb -0.08 -4.31 -0.20 0.00 -1.53 0.00 0.00 36.38 30.26 2kta s VAL 64 CO 0.23 0.39 0.75 -0.50 -3.33 0.00 0.00 175.10 172.65 2kta h TRP 65 N 5.04 0.00 -2.37 1.54 4.06 -1.99 -3.47 115.95 118.75 2kta h TRP 65 Ca -0.44 0.00 0.28 0.00 2.06 0.00 0.00 58.89 60.79 2kta h TRP 65 Cb 1.21 0.00 -0.07 0.00 -1.00 0.00 0.00 29.16 29.30 2kta h TRP 65 CO 0.63 0.90 -0.37 0.43 -3.56 0.00 0.00 178.44 176.47 2kta n SER 66 N -3.03 -6.35 -4.12 -3.49 7.64 -1.26 -4.51 113.62 98.49 2kta n SER 66 Ca -0.14 1.11 -0.37 0.00 1.01 0.00 0.00 58.87 60.48 2kta n SER 66 Cb 0.99 -3.11 -0.07 0.00 -1.01 0.00 0.00 64.21 61.01 2kta n SER 66 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 2kta s LEU 67 N 0.00 5.53 0.01 -3.43 1.43 -1.26 -4.85 118.68 116.10 2kta s LEU 67 Ca 0.00 -3.45 -0.11 0.00 -1.03 0.00 0.00 54.13 49.54 2kta s LEU 67 Cb 0.00 -1.91 -0.32 0.00 0.03 0.00 0.00 46.19 43.99 2kta s LEU 67 CO 0.00 -0.25 0.89 -0.33 0.23 0.00 0.00 176.35 176.89 2kta h GLU 68 N 6.37 0.42 -4.73 1.70 5.08 -2.04 -3.39 114.58 117.99 2kta h GLU 68 Ca 0.11 -0.72 -0.70 0.00 -1.00 0.00 0.00 59.36 57.05 2kta h GLU 68 Cb 0.86 0.27 -0.20 0.00 0.50 0.00 0.00 28.75 30.18 2kta h GLU 68 CO 0.81 1.33 0.36 -1.58 -1.00 0.00 0.00 179.01 178.93 2kta s HIS 69 N -2.60 3.12 -1.05 4.33 2.46 -1.26 -4.98 115.29 115.30 2kta s HIS 69 Ca -0.11 -1.20 -0.23 0.00 0.47 0.00 0.00 55.06 54.00 2kta s HIS 69 Cb 0.05 -4.09 0.02 0.00 -0.13 0.00 0.00 32.58 28.44 2kta s HIS 69 CO 0.90 -1.34 1.63 -1.58 -2.47 0.00 0.00 174.74 171.87 2kta s HIS 70 N 2.44 2.38 -0.35 3.88 2.46 -1.26 -4.70 115.29 120.14 2kta s HIS 70 Ca 0.20 -0.57 -0.05 0.00 0.47 0.00 0.00 55.06 55.10 2kta s HIS 70 Cb -0.16 -4.53 0.19 0.00 -0.13 0.00 0.00 32.58 27.95 2kta s HIS 70 CO -0.00 -1.84 0.97 -1.58 -2.47 0.00 0.00 174.74 169.82 2kta s HIS 71 N 6.31 -0.66 -0.20 3.88 5.04 -1.26 -5.15 115.29 123.26 2kta s HIS 71 Ca 0.54 0.05 -0.14 0.00 -1.54 0.00 0.00 55.06 53.96 2kta s HIS 71 Cb -0.01 0.12 -0.04 0.00 0.04 0.00 0.00 32.58 32.69 2kta s HIS 71 CO -0.04 -0.46 0.31 -3.38 -2.34 0.00 0.00 174.74 168.84 2kta s HIS 72 N 1.77 3.39 -1.42 3.88 -3.43 -1.26 -4.93 115.29 113.29 2kta s HIS 72 Ca 0.17 0.52 0.27 0.00 -0.80 0.00 0.00 55.06 55.22 2kta s HIS 72 Cb 0.03 -2.41 0.87 0.00 -1.43 0.00 0.00 32.58 29.64 2kta s HIS 72 CO -0.13 0.08 1.65 1.58 -2.00 0.00 0.00 174.74 175.93 2kta n HIS 73 N 4.15 0.00 -1.34 0.38 -0.00 -1.26 -5.32 115.22 111.84 2kta n HIS 73 Ca -0.11 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.07 2kta n HIS 73 Cb 0.51 -0.22 0.00 0.00 -0.12 0.00 0.00 29.99 30.17 2kta n HIS 73 CO 0.00 0.00 0.00 1.58 0.46 0.00 0.00 176.34 178.38