#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 0.83 -4.38 7.83 4.13 -1.26 -4.76 115.26 117.65 2kta n ASN 2 Ca 0.00 0.36 -0.42 0.00 1.68 0.00 0.00 54.58 56.20 2kta n ASN 2 Cb 0.00 0.25 -0.10 0.00 -1.54 0.00 0.00 39.78 38.39 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 -2.99 2.84 0.04 3.52 0.74 -1.26 -4.83 119.66 117.72 2kta s GLN 3 Ca -0.03 -1.17 0.00 0.00 0.05 0.00 0.00 55.36 54.22 2kta s GLN 3 Cb 0.09 -3.86 0.00 0.00 1.10 0.00 0.00 33.01 30.34 2kta s GLN 3 CO 0.81 -0.80 0.00 0.09 -0.55 0.00 0.00 175.29 174.84 2kta n ASN 4 N 5.05 0.42 -1.62 6.67 3.02 -1.26 -5.03 115.26 122.52 2kta n ASN 4 Ca -0.11 0.06 -0.18 0.00 -0.03 0.00 0.00 54.58 54.31 2kta n ASN 4 Cb 0.45 -0.12 -0.05 0.00 -0.61 0.00 0.00 39.78 39.45 2kta n ASN 4 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 2kta n LEU 5 N -3.18 -1.49 -4.86 3.41 4.77 -1.26 -4.98 117.00 109.41 2kta n LEU 5 Ca 0.00 0.28 -0.22 0.00 -0.03 0.00 0.00 56.01 56.04 2kta n LEU 5 Cb 0.30 -2.55 -0.04 0.00 -2.33 0.00 0.00 43.42 38.80 2kta n LEU 5 CO 0.00 -0.66 -0.13 -1.10 -1.33 0.00 0.00 177.39 174.16 2kta s GLN 6 N -4.02 3.00 -0.70 3.23 -1.52 -1.26 -5.00 119.66 113.40 2kta s GLN 6 Ca 0.00 -1.02 -0.07 0.00 -1.95 0.00 0.00 55.36 52.31 2kta s GLN 6 Cb 0.00 -2.62 -0.18 0.00 -0.22 0.00 0.00 33.01 29.99 2kta s GLN 6 CO 0.00 0.37 3.16 0.41 -0.25 0.00 0.00 175.29 178.99 2kta n GLY 7 N -1.25 3.43 0.10 3.09 0.00 -1.26 -4.13 105.19 105.17 2kta n GLY 7 Ca -0.07 -1.26 -0.13 0.00 0.00 0.00 0.00 46.02 44.56 2kta n GLY 7 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 2kta n GLU 8 N 3.05 0.68 -0.16 1.61 4.07 -1.26 -4.48 120.64 124.15 2kta n GLU 8 Ca 0.56 0.17 -0.08 0.00 -0.06 0.00 0.00 57.16 57.75 2kta n GLU 8 Cb 0.57 -1.65 0.01 0.00 -0.06 0.00 0.00 31.44 30.30 2kta n GLU 8 CO 0.00 0.00 0.00 2.35 -0.06 0.00 0.00 177.13 179.42 2kta h TRP 9 N 0.01 0.66 -0.91 4.31 -0.00 -1.98 0.59 115.95 118.63 2kta h TRP 9 Ca -0.44 -0.02 0.13 0.00 -0.00 0.00 0.00 58.89 58.56 2kta h TRP 9 Cb 2.07 -0.21 -0.07 0.00 -0.00 0.00 0.00 29.16 30.95 2kta h TRP 9 CO 0.02 0.51 0.58 0.52 -0.00 0.00 0.00 178.44 180.07 2kta h MET 10 N 0.62 0.75 0.02 2.65 2.86 -1.91 0.24 114.93 120.16 2kta h MET 10 Ca 0.16 -0.04 -0.03 0.00 -2.06 0.00 0.00 59.70 57.73 2kta h MET 10 Cb 0.08 -0.17 0.00 0.00 0.06 0.00 0.00 31.60 31.57 2kta h MET 10 CO -0.02 0.49 -0.13 -0.22 1.06 0.00 0.00 176.91 178.09 2kta h LYS 11 N 0.77 0.05 -0.54 1.72 3.64 -1.64 -3.34 116.57 117.23 2kta h LYS 11 Ca 0.45 -0.08 0.10 0.00 -1.27 0.00 0.00 60.65 59.85 2kta h LYS 11 Cb 0.64 0.03 -0.08 0.00 -0.41 0.00 0.00 32.23 32.42 2kta h LYS 11 CO -0.22 1.01 0.11 -0.97 -2.27 0.00 0.00 179.45 177.11 2kta h ASN 12 N -0.86 -0.01 -0.12 4.20 -0.73 0.10 0.16 115.58 118.32 2kta h ASN 12 Ca -0.02 0.10 0.04 0.00 1.87 0.00 0.00 56.30 58.29 2kta h ASN 12 Cb 1.07 0.14 -0.05 0.00 0.27 0.00 0.00 38.32 39.76 2kta h ASN 12 CO 0.02 0.02 -0.15 0.22 -0.37 0.00 0.00 177.43 177.17 2kta h TYR 13 N 0.24 -0.39 -0.38 0.67 3.20 -0.72 0.24 116.97 119.83 2kta h TYR 13 Ca 0.28 0.02 -0.09 0.00 3.14 0.00 0.00 58.73 62.07 2kta h TYR 13 Cb 0.39 0.19 -0.02 0.00 1.54 0.00 0.00 36.73 38.84 2kta h TYR 13 CO -0.24 -0.22 -0.15 0.93 -1.64 0.00 0.00 178.16 176.83 2kta h GLU 14 N -0.20 0.69 -0.16 1.82 4.39 -1.44 0.71 114.58 120.40 2kta h GLU 14 Ca 0.09 -0.24 -0.17 0.00 0.34 0.00 0.00 59.36 59.38 2kta h GLU 14 Cb 0.33 -0.05 -0.00 0.00 -0.10 0.00 0.00 28.75 28.92 2kta h GLU 14 CO -0.23 0.81 -0.62 1.49 -1.16 0.00 0.00 179.01 179.30 2kta h GLU 15 N 0.62 0.56 0.05 2.33 4.57 -0.22 -1.23 114.58 121.28 2kta h GLU 15 Ca 0.10 -0.39 -0.25 0.00 -1.18 0.00 0.00 59.36 57.65 2kta h GLU 15 Cb 0.61 0.06 0.00 0.00 -0.16 0.00 0.00 28.75 29.27 2kta h GLU 15 CO 0.04 1.01 -1.06 1.25 -1.18 0.00 0.00 179.01 179.07 2kta h LEU 16 N 0.42 0.51 -0.84 1.64 6.46 -0.40 -1.27 115.31 121.83 2kta h LEU 16 Ca -0.01 -0.46 0.09 0.00 -0.12 0.00 0.00 57.88 57.38 2kta h LEU 16 Cb 1.18 -0.16 -0.07 0.00 -0.73 0.00 0.00 40.66 40.88 2kta h LEU 16 CO 0.12 1.29 0.50 0.50 -0.62 0.00 0.00 178.44 180.22 2kta h LYS 17 N 0.18 0.82 0.00 1.25 3.64 -0.74 0.49 116.57 122.22 2kta h LYS 17 Ca -0.10 -0.05 -0.16 0.00 -1.27 0.00 0.00 60.65 59.07 2kta h LYS 17 Cb 1.73 -0.19 -0.02 0.00 -0.41 0.00 0.00 32.23 33.34 2kta h LYS 17 CO 0.18 0.54 -0.74 0.77 -2.27 0.00 0.00 179.45 177.94 2kta h SER 18 N 0.85 0.00 -0.01 4.20 0.02 -1.06 -2.81 113.55 114.74 2kta h SER 18 Ca 0.40 0.00 -0.10 0.00 -0.84 0.00 0.00 61.79 61.25 2kta h SER 18 Cb 0.32 0.00 0.01 0.00 0.14 0.00 0.00 62.40 62.87 2kta h SER 18 CO -0.23 0.74 -0.38 -0.26 -1.14 0.00 0.00 176.83 175.56 2kta h PHE 19 N 0.00 0.41 -0.28 3.45 -1.00 0.00 -2.49 116.94 117.03 2kta h PHE 19 Ca -0.01 -0.21 -0.07 0.00 2.81 0.00 0.00 57.97 60.49 2kta h PHE 19 Cb 1.31 -0.05 -0.02 0.00 3.61 0.00 0.00 35.95 40.81 2kta h PHE 19 CO 0.00 1.01 -0.11 -0.24 -1.61 0.00 0.00 178.31 177.36 2kta h VAL 20 N -0.31 1.22 0.00 -0.55 3.04 -0.14 -1.60 116.25 117.91 2kta h VAL 20 Ca -0.04 -0.97 0.00 0.00 -1.01 0.00 0.00 66.70 64.68 2kta h VAL 20 Cb 1.10 1.13 0.00 0.00 -2.01 0.00 0.00 31.29 31.51 2kta h VAL 20 CO 0.08 0.32 0.00 0.08 -1.01 0.00 0.00 177.57 177.03 2kta h ARG 21 N 0.44 0.00 0.03 4.17 0.11 -1.56 -1.14 114.38 116.43 2kta h ARG 21 Ca 0.08 0.00 -0.00 0.00 0.10 0.00 0.00 59.98 60.16 2kta h ARG 21 Cb 0.46 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.54 2kta h ARG 21 CO 0.03 0.00 -0.01 -0.22 0.10 0.00 0.00 179.97 179.86 2kta h LYS 22 N 0.00 -0.04 -0.11 0.08 1.63 -0.81 -3.41 116.57 113.91 2kta h LYS 22 Ca 0.00 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.80 2kta h LYS 22 Cb 0.77 0.01 0.00 0.00 -0.60 0.00 0.00 32.23 32.41 2kta h LYS 22 CO 0.00 -0.02 0.00 0.66 -3.45 0.00 0.00 179.45 176.64 2kta n TYR 23 N -2.74 0.21 -2.60 1.91 4.01 -1.02 -5.04 117.16 111.89 2kta n TYR 23 Ca -0.00 -0.64 -0.01 0.00 -0.16 0.00 0.00 57.90 57.09 2kta n TYR 23 Cb 0.02 -0.09 0.00 0.00 -0.31 0.00 0.00 39.34 38.96 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 -0.44 -2.95 -0.70 -0.72 5.12 -0.43 -4.89 116.66 111.64 2kta n ARG 24 Ca 0.08 2.45 0.09 0.00 -1.93 0.00 0.00 57.85 58.53 2kta n ARG 24 Cb 0.43 -4.96 -0.04 0.00 -1.16 0.00 0.00 32.46 26.73 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 0.46 -1.56 -3.74 5.56 0.00 -1.20 -4.77 116.66 111.42 2kta n ARG 25 Ca 0.02 1.21 -0.35 0.00 -0.00 0.00 0.00 57.85 58.73 2kta n ARG 25 Cb 0.07 -1.84 -0.09 0.00 0.00 0.00 0.00 32.46 30.59 2kta n ARG 25 CO 0.00 0.00 0.00 -0.59 0.00 0.00 0.00 177.63 177.04 2kta s PHE 26 N -3.03 3.51 -1.80 -0.14 -0.71 -1.26 -4.77 117.98 109.79 2kta s PHE 26 Ca 0.00 -2.91 0.27 0.00 -1.04 0.00 0.00 56.93 53.25 2kta s PHE 26 Cb 0.00 -3.12 0.81 0.00 -1.21 0.00 0.00 43.02 39.50 2kta s PHE 26 CO 0.00 -0.77 1.60 -0.35 -1.34 0.00 0.00 175.22 174.36 2kta n PRO 27 N 3.00 0.89 0.00 1.99 -0.04 -1.26 -4.52 135.00 135.05 2kta n PRO 27 Ca 0.12 -0.51 0.00 0.00 -0.04 0.00 0.00 63.50 63.07 2kta n PRO 27 Cb 0.37 -1.49 0.00 0.00 -0.04 0.00 0.00 33.50 32.34 2kta n PRO 27 CO 0.00 0.00 0.00 1.17 -0.04 0.00 0.00 175.50 176.63 2kta n LYS 28 N -0.61 0.00 -2.25 0.54 4.81 -1.26 -5.07 118.16 114.32 2kta n LYS 28 Ca 0.13 0.00 -0.40 0.00 -0.87 0.00 0.00 58.31 57.17 2kta n LYS 28 Cb 0.34 -0.27 -0.02 0.00 0.02 0.00 0.00 35.03 35.10 2kta n LYS 28 CO 0.00 0.00 0.00 -1.12 1.17 0.00 0.00 177.40 177.45 2kta s SER 29 N -4.25 6.79 0.00 3.14 0.01 -1.26 -4.94 113.70 113.19 2kta s SER 29 Ca 0.00 2.49 0.00 0.00 1.31 0.00 0.00 55.95 59.75 2kta s SER 29 Cb 0.00 -2.63 0.00 0.00 0.21 0.00 0.00 66.02 63.60 2kta s SER 29 CO 0.00 -0.50 0.00 0.35 0.41 0.00 0.00 173.24 173.50 2kta n THR 30 N 0.65 0.00 -0.74 1.44 -2.24 -1.26 -4.75 114.28 107.38 2kta n THR 30 Ca 0.01 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.79 2kta n THR 30 Cb 0.44 -0.54 0.00 0.00 -2.10 0.00 0.00 70.33 68.13 2kta n THR 30 CO 0.00 0.00 0.00 1.21 -0.57 0.00 0.00 175.07 175.71 2kta n GLU 31 N -2.27 -0.17 0.00 -0.78 0.00 -1.26 0.14 120.64 116.31 2kta n GLU 31 Ca 0.00 0.04 0.00 0.00 0.00 0.00 0.00 57.16 57.20 2kta n GLU 31 Cb 0.44 -3.79 0.00 0.00 0.00 0.00 0.00 31.44 28.09 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 -1.80 2.08 0.08 8.31 0.00 -1.26 -4.40 105.19 108.20 2kta n GLY 32 Ca 0.00 -0.01 -0.13 0.00 0.00 0.00 0.00 46.02 45.88 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 0.12 -0.77 1.61 2.35 -2.00 -2.32 115.58 114.57 2kta h ASN 33 Ca 0.00 -0.50 0.03 0.00 -0.55 0.00 0.00 56.30 55.28 2kta h ASN 33 Cb 0.00 -0.03 -0.05 0.00 0.05 0.00 0.00 38.32 38.29 2kta h ASN 33 CO 0.00 0.59 0.49 -0.07 -1.65 0.00 0.00 177.43 176.79 2kta h LEU 34 N -0.35 0.80 -0.74 1.61 3.38 -1.76 0.30 115.31 118.55 2kta h LEU 34 Ca 0.01 -0.00 0.04 0.00 0.09 0.00 0.00 57.88 58.02 2kta h LEU 34 Cb 0.56 -0.18 -0.05 0.00 0.09 0.00 0.00 40.66 41.08 2kta h LEU 34 CO 0.01 0.55 0.45 1.23 0.09 0.00 0.00 178.44 180.78 2kta h GLY 35 N 0.95 1.08 1.15 0.83 0.00 -0.28 0.18 103.07 106.99 2kta h GLY 35 Ca 0.31 -0.33 -0.16 0.00 0.00 0.00 0.00 47.33 47.15 2kta h GLY 35 CO -0.11 0.25 -0.39 -1.33 0.00 0.00 0.00 176.54 174.96 2kta h GLY 36 N 0.85 1.01 0.46 4.60 0.00 -0.78 0.11 103.07 109.34 2kta h GLY 36 Ca 0.31 -1.04 0.06 0.00 0.00 0.00 0.00 47.33 46.66 2kta h GLY 36 CO -0.14 0.94 0.01 -0.25 0.00 0.00 0.00 176.54 177.09 2kta h TRP 37 N 0.76 -0.01 0.12 5.60 7.01 0.16 -1.68 115.95 127.90 2kta h TRP 37 Ca 0.06 0.03 -0.01 0.00 2.11 0.00 0.00 58.89 61.08 2kta h TRP 37 Cb 0.98 0.06 0.00 0.00 -2.10 0.00 0.00 29.16 28.10 2kta h TRP 37 CO 0.06 -0.06 -0.06 0.00 -2.79 0.00 0.00 178.44 175.60 2kta h HIS 39 N -0.36 0.50 -0.15 0.00 3.86 -0.39 0.69 115.15 119.29 2kta h HIS 39 Ca -0.02 0.03 -0.09 0.00 -1.16 0.00 0.00 60.37 59.14 2kta h HIS 39 Cb 0.29 -0.11 -0.00 0.00 1.06 0.00 0.00 27.41 28.65 2kta h HIS 39 CO -0.01 0.10 -0.24 1.15 0.86 0.00 0.00 177.93 179.80 2kta h THR 40 N 0.46 1.36 0.00 2.45 2.02 -1.36 -3.32 112.91 114.51 2kta h THR 40 Ca 0.37 -1.47 0.00 0.00 0.77 0.00 0.00 66.41 66.08 2kta h THR 40 Cb 0.50 1.95 0.00 0.00 -1.74 0.00 0.00 68.15 68.86 2kta h THR 40 CO -0.35 0.44 -0.40 0.00 0.37 0.00 0.00 175.52 175.57 2kta n GLN 41 N -4.44 0.15 0.00 6.66 6.02 -0.66 -2.86 117.38 122.25 2kta n GLN 41 Ca -0.06 0.06 0.10 0.00 -0.01 0.00 0.00 57.00 57.09 2kta n GLN 41 Cb 0.43 -1.61 0.55 0.00 1.02 0.00 0.00 30.24 30.63 2kta n GLN 41 CO 0.00 0.00 0.00 2.89 -1.01 0.00 0.00 177.06 178.94 2kta n ARG 42 N -1.84 0.36 -0.10 -1.09 -4.01 0.23 -1.41 116.66 108.81 2kta n ARG 42 Ca 0.05 0.07 -0.23 0.00 -1.04 0.00 0.00 57.85 56.70 2kta n ARG 42 Cb 0.39 -1.50 -0.12 0.00 -3.04 0.00 0.00 32.46 28.19 2kta n ARG 42 CO 0.00 0.00 0.00 1.17 -3.04 0.00 0.00 177.63 175.76 2kta n LYS 43 N -1.24 0.61 0.21 2.89 0.00 -1.13 -4.44 118.16 115.06 2kta n LYS 43 Ca 0.11 0.43 0.06 0.00 0.00 0.00 0.00 58.31 58.91 2kta n LYS 43 Cb 0.15 -1.67 0.48 0.00 0.00 0.00 0.00 35.03 33.99 2kta n LYS 43 CO 0.00 0.00 0.00 0.52 0.00 0.00 0.00 177.40 177.92 2kta h MET 44 N -0.77 0.00 -0.42 1.64 0.00 -1.53 -2.82 114.93 111.04 2kta h MET 44 Ca -0.45 0.00 0.08 0.00 0.00 0.00 0.00 59.70 59.33 2kta h MET 44 Cb 1.53 0.00 -0.07 0.00 0.00 0.00 0.00 31.60 33.05 2kta h MET 44 CO -0.20 0.26 -0.05 0.07 0.00 0.00 0.00 176.91 176.99 2kta h ARG 45 N 0.00 0.05 0.15 1.72 0.11 -1.45 0.21 114.38 115.17 2kta h ARG 45 Ca -0.00 -0.00 -0.24 0.00 0.10 0.00 0.00 59.98 59.84 2kta h ARG 45 Cb 0.50 -0.01 0.01 0.00 1.11 0.00 0.00 29.97 31.58 2kta h ARG 45 CO 0.03 0.04 -1.11 -0.22 0.10 0.00 0.00 179.97 178.81 2kta h LYS 46 N 0.06 0.31 0.00 0.08 3.11 -1.78 -3.25 116.57 115.10 2kta h LYS 46 Ca 0.21 -0.53 0.00 0.00 -2.81 0.00 0.00 60.65 57.52 2kta h LYS 46 Cb 0.31 0.20 0.00 0.00 -1.00 0.00 0.00 32.23 31.74 2kta h LYS 46 CO -0.39 1.25 0.00 1.96 -2.81 0.00 0.00 179.45 179.46 2kta h GLN 47 N -0.29 0.00 -0.62 1.90 1.08 -1.36 -3.45 115.11 112.37 2kta h GLN 47 Ca -0.21 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 56.99 2kta h GLN 47 Cb 1.75 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 29.18 2kta h GLN 47 CO 0.13 0.00 0.00 0.41 -0.95 0.00 0.00 178.83 178.42 2kta n GLY 48 N -1.06 0.75 0.00 3.46 0.00 0.18 -4.95 105.19 103.57 2kta n GLY 48 Ca -0.02 -0.75 0.06 0.00 0.00 0.00 0.00 46.02 45.31 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 -0.68 2.96 -2.54 1.61 4.76 0.51 -4.99 118.16 119.79 2kta n LYS 49 Ca 0.00 -0.00 -0.39 0.00 -2.87 0.00 0.00 58.31 55.05 2kta n LYS 49 Cb 0.49 -1.07 -0.04 0.00 -1.84 0.00 0.00 35.03 32.57 2kta n LYS 49 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 2kta s LEU 50 N -2.60 4.38 0.26 -0.35 1.43 -1.15 -4.98 118.68 115.68 2kta s LEU 50 Ca 0.04 2.13 -0.29 0.00 -1.03 0.00 0.00 54.13 54.98 2kta s LEU 50 Cb 0.09 -3.87 -0.09 0.00 0.03 0.00 0.00 46.19 42.35 2kta s LEU 50 CO 0.49 -0.26 1.22 -2.84 0.23 0.00 0.00 176.35 175.20 2kta s PRO 51 N -1.87 4.48 0.58 1.29 0.02 -1.26 -4.93 135.00 133.31 2kta s PRO 51 Ca 0.50 1.99 0.34 0.00 0.02 0.00 0.00 61.00 63.85 2kta s PRO 51 Cb -0.27 -3.17 1.78 0.00 0.02 0.00 0.00 34.50 32.87 2kta s PRO 51 CO 0.34 -0.05 2.17 -0.91 -0.33 0.00 0.00 177.00 178.22 2kta h ASN 52 N 4.28 0.00 0.22 2.53 2.35 -1.98 -2.40 115.58 120.58 2kta h ASN 52 Ca -0.47 0.00 -0.01 0.00 -0.55 0.00 0.00 56.30 55.27 2kta h ASN 52 Cb 1.22 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.59 2kta h ASN 52 CO 0.70 0.05 -0.11 0.44 -1.65 0.00 0.00 177.43 176.86 2kta h ASP 53 N 0.00 -0.25 -0.22 5.81 3.32 -1.99 -1.71 116.42 121.38 2kta h ASP 53 Ca -0.00 -0.15 -0.02 0.00 0.02 0.00 0.00 57.03 56.89 2kta h ASP 53 Cb 0.23 0.06 -0.01 0.00 0.22 0.00 0.00 39.33 39.83 2kta h ASP 53 CO 0.01 0.01 0.07 0.03 -1.72 0.00 0.00 179.24 177.64 2kta h ARG 54 N -0.51 0.34 0.00 3.56 3.08 -1.86 -0.82 114.38 118.17 2kta h ARG 54 Ca -0.03 -0.07 -0.02 0.00 0.07 0.00 0.00 59.98 59.93 2kta h ARG 54 Cb 0.38 -0.05 -0.00 0.00 0.08 0.00 0.00 29.97 30.38 2kta h ARG 54 CO 0.05 0.42 -0.10 0.07 -1.07 0.00 0.00 179.97 179.34 2kta h ARG 55 N 0.19 0.00 0.17 0.04 -0.00 -1.45 0.12 114.38 113.45 2kta h ARG 55 Ca 0.07 0.00 -0.32 0.00 -0.00 0.00 0.00 59.98 59.74 2kta h ARG 55 Cb 0.22 0.00 0.01 0.00 -0.00 0.00 0.00 29.97 30.20 2kta h ARG 55 CO -0.00 0.10 -1.49 1.25 -0.00 0.00 0.00 179.97 179.82 2kta h LEU 56 N 0.00 0.56 -0.38 0.08 5.85 -0.98 -2.79 115.31 117.66 2kta h LEU 56 Ca -0.00 -0.69 -0.06 0.00 0.84 0.00 0.00 57.88 57.97 2kta h LEU 56 Cb 0.35 -0.18 -0.01 0.00 0.37 0.00 0.00 40.66 41.19 2kta h LEU 56 CO 0.01 1.56 -0.01 -0.07 -0.34 0.00 0.00 178.44 179.59 2kta h LEU 57 N 0.10 0.67 -0.44 2.25 3.38 -0.02 -0.26 115.31 120.99 2kta h LEU 57 Ca -0.24 -0.32 -0.04 0.00 0.09 0.00 0.00 57.88 57.37 2kta h LEU 57 Cb 2.06 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 42.62 2kta h LEU 57 CO 0.21 0.82 0.12 -0.07 0.09 0.00 0.00 178.44 179.61 2kta h LEU 58 N 0.49 0.65 -1.65 1.67 3.38 -0.93 -0.21 115.31 118.71 2kta h LEU 58 Ca 0.11 -0.22 -0.00 0.00 0.09 0.00 0.00 57.88 57.85 2kta h LEU 58 Cb 0.49 -0.17 -0.00 0.00 0.09 0.00 0.00 40.66 41.07 2kta h LEU 58 CO 0.02 0.70 -0.02 -0.78 0.09 0.00 0.00 178.44 178.45 2kta h ASP 59 N 0.57 0.00 0.25 -0.43 3.58 -1.40 0.24 116.42 119.22 2kta h ASP 59 Ca 0.14 0.00 -0.33 0.00 0.42 0.00 0.00 57.03 57.26 2kta h ASP 59 Cb 0.29 0.00 0.04 0.00 1.72 0.00 0.00 39.33 41.38 2kta h ASP 59 CO -0.00 0.02 -1.43 0.50 -2.88 0.00 0.00 179.24 175.45 2kta h LYS 60 N 0.00 0.55 -0.00 0.28 3.11 -0.24 -3.28 116.57 116.99 2kta h LYS 60 Ca -0.00 -0.90 0.00 0.00 -2.81 0.00 0.00 60.65 56.94 2kta h LYS 60 Cb 0.46 0.33 0.00 0.00 -1.00 0.00 0.00 32.23 32.01 2kta h LYS 60 CO 0.00 1.42 -0.05 0.44 -2.81 0.00 0.00 179.45 178.46 2kta n ILE 61 N -3.73 0.00 -0.06 2.00 -5.35 -0.16 -4.90 119.36 107.16 2kta n ILE 61 Ca -0.16 -0.00 0.00 0.00 -0.27 0.00 0.00 62.75 62.32 2kta n ILE 61 Cb 1.08 -0.43 0.00 0.00 -1.74 0.00 0.00 39.64 38.56 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 1.49 1.88 3.65 3.28 0.00 -0.69 -4.63 105.19 110.17 2kta n GLY 62 Ca 0.07 -0.03 -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 3.33 0.05 1.61 5.36 0.75 -4.64 117.98 122.43 2kta s PHE 63 Ca 0.00 1.21 -0.30 0.00 -0.96 0.00 0.00 56.93 56.87 2kta s PHE 63 Cb 0.00 -3.08 -0.05 0.00 -0.34 0.00 0.00 43.02 39.55 2kta s PHE 63 CO 0.00 -0.39 1.07 0.54 -1.46 0.00 0.00 175.22 174.98 2kta s VAL 64 N 2.81 4.42 -0.28 3.12 0.11 -1.26 -4.45 120.40 124.87 2kta s VAL 64 Ca 0.37 1.80 0.23 0.00 -2.93 0.00 0.00 61.98 61.44 2kta s VAL 64 Cb -0.15 -4.15 -0.01 0.00 -1.53 0.00 0.00 36.38 30.54 2kta s VAL 64 CO 0.08 0.17 1.06 0.79 -3.33 0.00 0.00 175.10 173.87 2kta n TRP 65 N 3.62 0.90 -2.09 1.54 7.02 -1.26 -4.93 117.44 122.24 2kta n TRP 65 Ca 0.06 0.26 -0.18 0.00 -1.02 0.00 0.00 57.50 56.62 2kta n TRP 65 Cb 0.49 -0.91 -0.03 0.00 -2.42 0.00 0.00 31.31 28.44 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 -2.60 -5.24 -4.10 -0.99 7.64 -1.26 -4.98 113.62 102.09 2kta n SER 66 Ca 0.00 0.12 -0.08 0.00 1.01 0.00 0.00 58.87 59.93 2kta n SER 66 Cb 0.54 -4.31 -0.10 0.00 -1.01 0.00 0.00 64.21 59.32 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 -4.87 2.48 -0.47 -3.43 2.96 -1.26 -5.08 118.68 109.01 2kta s LEU 67 Ca 0.00 -0.96 -0.26 0.00 -0.22 0.00 0.00 54.13 52.68 2kta s LEU 67 Cb 0.00 0.11 -0.07 0.00 0.50 0.00 0.00 46.19 46.74 2kta s LEU 67 CO 0.00 -0.54 2.39 -1.61 -1.32 0.00 0.00 176.35 175.27 2kta s GLU 68 N -3.71 2.18 -1.28 1.98 2.02 -1.26 -4.85 118.70 113.78 2kta s GLU 68 Ca 0.07 1.45 -0.19 0.00 0.02 0.00 0.00 54.97 56.32 2kta s GLU 68 Cb 0.06 -4.57 0.03 0.00 0.10 0.00 0.00 34.13 29.76 2kta s GLU 68 CO -0.08 -3.19 1.80 1.58 0.02 0.00 0.00 175.26 175.39 2kta n HIS 69 N 15.59 4.21 0.06 1.61 -0.00 -1.26 -4.36 115.22 131.07 2kta n HIS 69 Ca 0.36 -2.55 0.00 0.00 -0.00 0.00 0.00 57.72 55.53 2kta n HIS 69 Cb 0.54 -2.63 0.00 0.00 -0.00 0.00 0.00 29.99 27.90 2kta n HIS 69 CO 0.00 0.00 0.00 1.58 -0.00 0.00 0.00 176.34 177.92 2kta n HIS 70 N 9.54 -0.87 -0.92 1.57 -0.00 -1.26 -5.16 115.22 118.12 2kta n HIS 70 Ca 0.48 0.15 0.00 0.00 -0.00 0.00 0.00 57.72 58.36 2kta n HIS 70 Cb 0.46 0.32 -0.00 0.00 -0.00 0.00 0.00 29.99 30.77 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 -3.06 -2.53 -2.29 1.57 -0.00 -1.26 -4.55 115.22 103.10 2kta n HIS 71 Ca 0.00 1.37 -0.34 0.00 0.46 0.00 0.00 57.72 59.21 2kta n HIS 71 Cb 0.00 -2.33 -0.04 0.00 -0.12 0.00 0.00 29.99 27.50 2kta n HIS 71 CO 0.00 0.00 0.00 -1.01 0.46 0.00 0.00 176.34 175.79 2kta s HIS 72 N -4.83 2.29 -0.50 1.57 3.76 -1.26 -4.46 115.29 111.87 2kta s HIS 72 Ca 0.00 -0.39 0.22 0.00 -0.15 0.00 0.00 55.06 54.74 2kta s HIS 72 Cb 0.00 -4.33 -0.22 0.00 1.11 0.00 0.00 32.58 29.14 2kta s HIS 72 CO 0.00 -1.51 0.75 1.58 -0.85 0.00 0.00 174.74 174.70 2kta n HIS 73 N 11.78 0.07 -1.80 1.40 -0.00 -1.26 -5.36 115.22 120.04 2kta n HIS 73 Ca 0.45 0.02 0.00 0.00 -0.00 0.00 0.00 57.72 58.19 2kta n HIS 73 Cb 0.47 -0.31 0.00 0.00 -0.00 0.00 0.00 29.99 30.14 2kta n HIS 73 CO 0.00 0.00 0.00 1.58 -0.00 0.00 0.00 176.34 177.92