#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1k5b s ASN 3 N 0.00 3.68 0.21 -1.12 3.84 -1.26 -4.69 114.94 115.60 1k5b s ASN 3 Ca 0.00 1.45 -0.12 0.00 0.21 0.00 0.00 52.86 54.40 1k5b s ASN 3 Cb 0.00 -2.14 0.28 0.00 -0.55 0.00 0.00 41.25 38.84 1k5b s ASN 3 CO 0.00 -2.50 1.64 0.77 -2.79 0.00 0.00 177.10 174.22 1k5b h SER 4 N -1.46 -0.42 -0.74 -4.21 4.64 -2.03 -1.05 113.55 108.28 1k5b h SER 4 Ca -0.49 0.17 -0.02 0.00 -0.47 0.00 0.00 61.79 60.98 1k5b h SER 4 Cb 1.28 0.33 -0.04 0.00 -0.31 0.00 0.00 62.40 63.66 1k5b h SER 4 CO 0.55 -0.16 0.38 0.03 -0.87 0.00 0.00 176.83 176.76 1k5b h ARG 5 N 0.06 1.07 -0.42 4.77 3.08 -1.93 0.39 114.38 121.39 1k5b h ARG 5 Ca 0.32 -0.14 -0.15 0.00 0.07 0.00 0.00 59.98 60.08 1k5b h ARG 5 Cb 0.51 -0.20 -0.01 0.00 0.08 0.00 0.00 29.97 30.35 1k5b h ARG 5 CO -0.59 0.81 -0.31 -0.92 -1.07 0.00 0.00 179.97 177.90 1k5b h TYR 6 N 1.07 1.10 -0.58 3.04 5.03 -1.55 0.29 116.97 125.37 1k5b h TYR 6 Ca 0.26 -0.30 -0.05 0.00 2.58 0.00 0.00 58.73 61.23 1k5b h TYR 6 Cb 0.09 -0.24 -0.02 0.00 1.55 0.00 0.00 36.73 38.10 1k5b h TYR 6 CO 0.01 1.12 0.18 1.15 -1.32 0.00 0.00 178.16 179.29 1k5b h THR 7 N 0.79 1.24 -0.84 1.81 2.02 -0.65 -0.78 112.91 116.50 1k5b h THR 7 Ca 0.08 -0.83 -0.03 0.00 0.77 0.00 0.00 66.41 66.40 1k5b h THR 7 Cb 0.89 0.68 -0.04 0.00 -1.74 0.00 0.00 68.15 67.94 1k5b h THR 7 CO 0.08 0.31 0.40 -0.74 0.37 0.00 0.00 175.52 175.94 1k5b h HIS 8 N 0.82 1.21 -0.35 3.16 -0.00 0.09 -1.00 115.15 119.08 1k5b h HIS 8 Ca 0.19 -0.06 0.01 0.00 -0.00 0.00 0.00 60.37 60.51 1k5b h HIS 8 Cb 0.30 -0.37 -0.02 0.00 -0.00 0.00 0.00 27.41 27.31 1k5b h HIS 8 CO 0.02 0.87 0.21 0.35 -0.00 0.00 0.00 177.93 179.38 1k5b h PHE 9 N 1.19 0.40 -0.36 5.26 3.57 0.16 -1.20 116.94 125.96 1k5b h PHE 9 Ca 0.29 0.01 -0.02 0.00 3.53 0.00 0.00 57.97 61.78 1k5b h PHE 9 Cb 0.12 -0.13 -0.02 0.00 2.79 0.00 0.00 35.95 38.72 1k5b h PHE 9 CO 0.01 0.24 0.14 -0.07 -2.23 0.00 0.00 178.31 176.40 1k5b h LEU 10 N 0.43 0.50 -1.11 0.59 3.38 -0.68 0.42 115.31 118.84 1k5b h LEU 10 Ca 0.14 -0.17 0.03 0.00 0.09 0.00 0.00 57.88 57.97 1k5b h LEU 10 Cb -0.01 -0.13 -0.05 0.00 0.09 0.00 0.00 40.66 40.56 1k5b h LEU 10 CO -0.06 0.54 0.60 0.74 0.09 0.00 0.00 178.44 180.35 1k5b h THR 11 N 0.44 1.16 0.00 0.22 2.02 -0.93 -0.82 112.91 115.00 1k5b h THR 11 Ca 0.12 -0.40 -0.20 0.00 0.77 0.00 0.00 66.41 66.70 1k5b h THR 11 Cb 0.19 -0.10 -0.03 0.00 -1.74 0.00 0.00 68.15 66.47 1k5b h THR 11 CO -0.01 0.21 -1.35 1.56 0.37 0.00 0.00 175.52 176.31 1k5b h GLN 12 N 1.16 0.00 0.00 6.66 4.20 -0.93 -3.42 115.11 122.78 1k5b h GLN 12 Ca 0.36 0.00 0.00 0.00 0.06 0.00 0.00 58.65 59.07 1k5b h GLN 12 Cb 0.01 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.79 1k5b h GLN 12 CO -0.11 0.46 0.00 0.72 -0.67 0.00 0.00 178.83 179.23 1k5b n HIS 13 N -3.03 0.00 -4.46 2.96 8.25 0.14 -4.68 115.22 114.40 1k5b n HIS 13 Ca -0.09 -0.24 -0.27 0.00 -0.26 0.00 0.00 57.72 56.86 1k5b n HIS 13 Cb 0.91 -0.02 -0.17 0.00 1.12 0.00 0.00 29.99 31.83 1k5b n HIS 13 CO 0.00 0.00 0.00 -0.47 0.64 0.00 0.00 176.34 176.51 1k5b s TYR 14 N -0.48 1.69 -0.26 4.41 5.04 -0.32 0.14 117.35 127.56 1k5b s TYR 14 Ca 0.00 -0.73 -0.04 0.00 -2.44 0.00 0.00 57.07 53.86 1k5b s TYR 14 Cb 0.00 -1.25 0.09 0.00 0.35 0.00 0.00 41.96 41.15 1k5b s TYR 14 CO 0.00 -0.39 0.12 0.34 -1.34 0.00 0.00 175.55 174.28 1k5b s ASP 15 N 0.93 3.27 0.04 4.32 3.68 -0.28 -4.77 116.67 123.87 1k5b s ASP 15 Ca -0.09 -1.14 -0.10 0.00 2.13 0.00 0.00 52.55 53.35 1k5b s ASP 15 Cb -0.15 -0.36 -0.04 0.00 -1.45 0.00 0.00 42.92 40.93 1k5b s ASP 15 CO 0.00 -0.41 1.17 0.00 0.13 0.00 0.00 175.17 176.05 1k5b h ALA 16 N 8.39 -0.48 -3.59 3.66 0.00 -1.79 -3.33 119.26 122.13 1k5b h ALA 16 Ca -0.18 -0.01 -0.64 0.00 0.00 0.00 0.00 54.91 54.08 1k5b h ALA 16 Cb 1.05 0.80 -0.39 0.00 0.00 0.00 0.00 17.79 19.24 1k5b h ALA 16 CO 0.40 -0.56 -0.74 0.15 0.00 0.00 0.00 179.25 178.50 1k5b s LYS 17 N -3.80 1.41 0.21 0.00 -0.14 -1.26 -0.85 119.74 115.30 1k5b s LYS 17 Ca -0.04 -1.54 -0.30 0.00 -1.36 0.00 0.00 55.97 52.73 1k5b s LYS 17 Cb 0.02 -2.84 -0.08 0.00 -1.68 0.00 0.00 37.83 33.25 1k5b s LYS 17 CO 0.19 -0.87 1.00 -1.25 -0.76 0.00 0.00 175.35 173.66 1k5b s PRO 18 N 1.14 4.74 -1.03 -1.68 0.04 -1.26 -4.96 135.00 131.99 1k5b s PRO 18 Ca 0.06 1.58 -0.14 0.00 0.04 0.00 0.00 61.00 62.54 1k5b s PRO 18 Cb -0.19 -3.28 0.20 0.00 0.04 0.00 0.00 34.50 31.27 1k5b s PRO 18 CO -0.11 0.32 1.13 -1.14 0.04 0.00 0.00 177.00 177.23 1k5b s GLN 19 N -0.82 3.88 0.00 4.56 2.00 -1.26 -4.82 119.66 123.20 1k5b s GLN 19 Ca 0.44 -2.49 0.00 0.00 -2.00 0.00 0.00 55.36 51.32 1k5b s GLN 19 Cb -0.27 -4.76 0.00 0.00 0.80 0.00 0.00 33.01 28.78 1k5b s GLN 19 CO 0.34 -1.54 0.00 0.41 -0.50 0.00 0.00 175.29 174.00 1k5b n GLY 20 N 4.11 2.74 1.82 2.59 0.00 -1.26 -4.76 105.19 110.43 1k5b n GLY 20 Ca 0.25 -1.76 -0.01 0.00 0.00 0.00 0.00 46.02 44.50 1k5b n GLY 20 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1k5b n ARG 21 N 0.60 1.35 -3.38 1.61 5.12 -1.26 -4.86 116.66 115.84 1k5b n ARG 21 Ca 0.00 -3.02 -0.19 0.00 -1.93 0.00 0.00 57.85 52.71 1k5b n ARG 21 Cb 0.00 -1.12 -0.02 0.00 -1.16 0.00 0.00 32.46 30.16 1k5b n ARG 21 CO 0.00 0.00 0.00 -0.40 -1.93 0.00 0.00 177.63 175.30 1k5b n ASP 22 N -0.31 2.53 -0.27 0.55 3.85 -1.26 -4.37 116.55 117.27 1k5b n ASP 22 Ca 0.14 -2.34 -0.01 0.00 -0.71 0.00 0.00 54.79 51.88 1k5b n ASP 22 Cb 0.93 0.11 0.12 0.00 -1.35 0.00 0.00 41.12 40.93 1k5b n ASP 22 CO 0.00 0.00 0.00 0.44 -1.01 0.00 0.00 177.20 176.63 1k5b h ASP 23 N 0.61 0.72 -0.05 -1.12 5.19 -1.85 -1.41 116.42 118.50 1k5b h ASP 23 Ca -0.25 0.02 -0.08 0.00 -0.62 0.00 0.00 57.03 56.10 1k5b h ASP 23 Cb 0.83 -0.13 -0.01 0.00 0.18 0.00 0.00 39.33 40.19 1k5b h ASP 23 CO 0.41 0.46 -0.19 0.03 -3.12 0.00 0.00 179.24 176.83 1k5b h ARG 24 N 0.85 0.43 -0.07 3.56 3.08 -1.97 -1.26 114.38 119.00 1k5b h ARG 24 Ca 0.34 -0.14 0.01 0.00 0.07 0.00 0.00 59.98 60.26 1k5b h ARG 24 Cb 0.16 -0.04 -0.01 0.00 0.08 0.00 0.00 29.97 30.16 1k5b h ARG 24 CO -0.17 0.60 -0.02 -0.92 -1.07 0.00 0.00 179.97 178.39 1k5b h TYR 25 N 0.39 -0.04 -0.84 3.04 3.20 -1.58 -0.84 116.97 120.30 1k5b h TYR 25 Ca 0.07 0.01 0.03 0.00 3.14 0.00 0.00 58.73 61.97 1k5b h TYR 25 Cb 0.55 0.03 -0.05 0.00 1.54 0.00 0.00 36.73 38.80 1k5b h TYR 25 CO 0.02 -0.03 0.55 0.00 -1.64 0.00 0.00 178.16 177.05 1k5b h GLU 27 N 1.08 1.01 0.15 0.00 5.08 -0.80 -0.31 114.58 120.79 1k5b h GLU 27 Ca 0.33 -0.15 -0.01 0.00 -1.00 0.00 0.00 59.36 58.53 1k5b h GLU 27 Cb -0.03 -0.18 0.00 0.00 0.50 0.00 0.00 28.75 29.04 1k5b h GLU 27 CO -0.10 0.79 -0.07 1.03 -1.00 0.00 0.00 179.01 179.66 1k5b h SER 28 N 0.98 -0.17 -0.72 1.42 0.87 -0.72 -3.11 113.55 112.09 1k5b h SER 28 Ca 0.24 -0.38 -0.03 0.00 -1.23 0.00 0.00 61.79 60.39 1k5b h SER 28 Cb 0.11 0.04 -0.03 0.00 -0.44 0.00 0.00 62.40 62.09 1k5b h SER 28 CO -0.03 0.38 0.32 -0.29 -0.53 0.00 0.00 176.83 176.68 1k5b h ILE 29 N -0.82 1.24 -1.00 2.23 6.09 -0.74 -0.79 117.51 123.72 1k5b h ILE 29 Ca -0.02 -0.72 0.05 0.00 -1.37 0.00 0.00 64.86 62.79 1k5b h ILE 29 Cb 0.54 0.38 -0.06 0.00 0.47 0.00 0.00 36.82 38.14 1k5b h ILE 29 CO 0.03 0.30 0.65 0.24 -3.07 0.00 0.00 178.15 176.30 1k5b h MET 30 N 1.02 1.20 0.16 2.19 2.86 -1.17 -0.86 114.93 120.33 1k5b h MET 30 Ca 0.24 -0.07 -0.01 0.00 -2.06 0.00 0.00 59.70 57.80 1k5b h MET 30 Cb 0.17 -0.27 0.00 0.00 0.06 0.00 0.00 31.60 31.56 1k5b h MET 30 CO -0.03 0.80 -0.08 -0.09 1.06 0.00 0.00 176.91 178.57 1k5b h ARG 31 N 1.24 -0.21 -0.05 1.72 2.43 -1.30 0.23 114.38 118.44 1k5b h ARG 31 Ca 0.41 0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.59 1k5b h ARG 31 Cb 0.05 0.05 -0.00 0.00 -0.42 0.00 0.00 29.97 29.65 1k5b h ARG 31 CO -0.14 0.09 0.03 0.00 -1.51 0.00 0.00 179.97 178.44 1k5b h ARG 32 N -0.50 0.06 -0.41 0.20 3.08 -0.86 0.90 114.38 116.85 1k5b h ARG 32 Ca -0.02 -0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.02 1k5b h ARG 32 Cb 0.39 -0.01 0.00 0.00 0.08 0.00 0.00 29.97 30.42 1k5b h ARG 32 CO 0.04 0.04 0.00 0.54 -1.07 0.00 0.00 179.97 179.52 1k5b n ARG 33 N -4.53 1.95 -3.58 0.04 5.12 -0.35 -4.91 116.66 110.40 1k5b n ARG 33 Ca -0.02 -1.35 -0.22 0.00 -1.93 0.00 0.00 57.85 54.33 1k5b n ARG 33 Cb 0.09 -1.34 0.07 0.00 -1.16 0.00 0.00 32.46 30.13 1k5b n ARG 33 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1k5b n GLY 34 N 1.02 -0.45 1.01 -0.13 0.00 0.31 -4.90 105.19 102.06 1k5b n GLY 34 Ca 0.13 0.18 -0.01 0.00 0.00 0.00 0.00 46.02 46.31 1k5b n GLY 34 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1k5b n LEU 35 N -4.58 3.80 0.00 0.99 4.32 0.78 -4.61 117.00 117.70 1k5b n LEU 35 Ca -0.13 -3.74 0.00 0.00 -0.02 0.00 0.00 56.01 52.12 1k5b n LEU 35 Cb 0.61 -0.61 0.00 0.00 -1.62 0.00 0.00 43.42 41.80 1k5b n LEU 35 CO 0.65 1.24 0.30 0.35 -1.22 0.00 0.00 177.39 178.71 1k5b n THR 36 N -1.10 0.23 -3.58 -5.08 -2.24 -1.25 -1.30 114.28 99.96 1k5b n THR 36 Ca 0.29 -0.61 -0.28 0.00 -2.27 0.00 0.00 64.05 61.19 1k5b n THR 36 Cb 0.95 0.90 -0.12 0.00 -2.10 0.00 0.00 70.33 69.97 1k5b n THR 36 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 1k5b s SER 37 N -0.23 2.90 0.63 3.42 0.15 -1.26 -2.00 113.70 117.31 1k5b s SER 37 Ca 0.00 -2.91 -0.11 0.00 0.70 0.00 0.00 55.95 53.62 1k5b s SER 37 Cb 0.00 -0.80 -0.03 0.00 -1.71 0.00 0.00 66.02 63.48 1k5b s SER 37 CO 0.00 -0.21 1.03 -2.16 1.20 0.00 0.00 173.24 173.11 1k5b s PRO 38 N 0.07 3.47 -0.00 5.44 0.04 -1.26 -5.09 135.00 137.67 1k5b s PRO 38 Ca 0.25 0.81 -0.35 0.00 0.04 0.00 0.00 61.00 61.75 1k5b s PRO 38 Cb -0.10 -2.06 -0.14 0.00 0.04 0.00 0.00 34.50 32.24 1k5b s PRO 38 CO -0.10 -0.67 1.69 0.00 0.04 0.00 0.00 177.00 177.96 1k5b s LYS 40 N 2.43 4.54 0.06 0.00 2.20 -0.42 -4.92 119.74 123.64 1k5b s LYS 40 Ca 0.88 1.80 -0.27 0.00 -0.36 0.00 0.00 55.97 58.01 1k5b s LYS 40 Cb -0.77 -3.26 -0.17 0.00 -1.51 0.00 0.00 37.83 32.12 1k5b s LYS 40 CO 0.48 -0.01 1.58 0.22 -0.36 0.00 0.00 175.35 177.26 1k5b h ASP 41 N 5.16 -0.32 -3.65 1.43 3.58 -1.91 -3.40 116.42 117.31 1k5b h ASP 41 Ca -0.44 -0.06 -0.23 0.00 0.42 0.00 0.00 57.03 56.72 1k5b h ASP 41 Cb 1.21 0.08 -0.29 0.00 1.72 0.00 0.00 39.33 42.05 1k5b h ASP 41 CO 0.73 -0.15 -0.65 -0.51 -2.88 0.00 0.00 179.24 175.78 1k5b s ILE 42 N -5.73 -0.02 -0.18 2.25 2.07 -1.26 0.15 121.20 118.48 1k5b s ILE 42 Ca -0.15 0.07 -0.10 0.00 -1.41 0.00 0.00 60.65 59.07 1k5b s ILE 42 Cb 0.04 -0.12 0.06 0.00 0.13 0.00 0.00 42.46 42.57 1k5b s ILE 42 CO 0.63 0.03 0.44 0.21 -1.91 0.00 0.00 174.94 174.33 1k5b s ASN 43 N 0.42 -0.54 -0.11 4.50 2.47 -0.45 -4.99 114.94 116.24 1k5b s ASN 43 Ca -0.03 0.96 -0.03 0.00 0.42 0.00 0.00 52.86 54.18 1k5b s ASN 43 Cb -0.05 0.86 -0.03 0.00 -1.45 0.00 0.00 41.25 40.59 1k5b s ASN 43 CO -0.02 -0.20 -0.01 -0.89 -3.72 0.00 0.00 177.10 172.26 1k5b s THR 44 N 1.50 4.18 -0.09 -5.21 2.01 -1.26 -0.31 115.64 116.46 1k5b s THR 44 Ca -0.09 -0.28 -0.01 0.00 0.31 0.00 0.00 61.69 61.62 1k5b s THR 44 Cb -0.08 -2.78 -0.03 0.00 0.01 0.00 0.00 72.50 69.61 1k5b s THR 44 CO -0.13 0.56 -0.04 -0.36 -0.69 0.00 0.00 174.62 173.96 1k5b s PHE 45 N -0.44 3.04 -0.11 4.92 0.08 0.18 -4.41 117.98 121.24 1k5b s PHE 45 Ca 0.08 0.01 -0.05 0.00 0.12 0.00 0.00 56.93 57.09 1k5b s PHE 45 Cb -0.12 -1.79 -0.04 0.00 -0.57 0.00 0.00 43.02 40.50 1k5b s PHE 45 CO 0.02 0.30 0.08 0.42 -0.10 0.00 0.00 175.22 175.94 1k5b s ILE 46 N -0.57 5.01 0.45 0.64 1.01 0.36 -1.42 121.20 126.68 1k5b s ILE 46 Ca 0.09 0.02 0.06 0.00 0.00 0.00 0.00 60.65 60.82 1k5b s ILE 46 Cb -0.12 -3.16 -0.04 0.00 0.01 0.00 0.00 42.46 39.15 1k5b s ILE 46 CO 0.02 0.61 0.13 -1.00 0.00 0.00 0.00 174.94 174.70 1k5b s HIS 47 N -0.90 2.29 0.00 3.97 3.76 -0.58 -1.12 115.29 122.70 1k5b s HIS 47 Ca 0.14 -0.72 0.00 0.00 -0.15 0.00 0.00 55.06 54.32 1k5b s HIS 47 Cb -0.12 -1.83 0.00 0.00 1.11 0.00 0.00 32.58 31.74 1k5b s HIS 47 CO 0.03 0.17 0.00 0.41 -0.85 0.00 0.00 174.74 174.50 1k5b n GLY 48 N -1.25 -0.53 3.67 -2.22 0.00 -0.03 -4.39 105.19 100.42 1k5b n GLY 48 Ca -0.06 -1.93 -0.40 0.00 0.00 0.00 0.00 46.02 43.62 1k5b n GLY 48 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1k5b s ASN 49 N -4.00 6.78 0.40 1.61 0.01 -1.26 -4.50 114.94 113.98 1k5b s ASN 49 Ca 0.00 0.95 0.14 0.00 -0.71 0.00 0.00 52.86 53.25 1k5b s ASN 49 Cb 0.00 -2.38 0.99 0.00 0.41 0.00 0.00 41.25 40.27 1k5b s ASN 49 CO 0.00 -0.29 1.87 0.50 -1.51 0.00 0.00 177.10 177.67 1k5b h LYS 50 N 7.37 0.48 -0.34 -0.60 3.64 -1.98 -1.32 116.57 123.82 1k5b h LYS 50 Ca -0.32 -0.03 -0.06 0.00 -1.27 0.00 0.00 60.65 58.98 1k5b h LYS 50 Cb 1.14 -0.11 -0.02 0.00 -0.41 0.00 0.00 32.23 32.84 1k5b h LYS 50 CO 0.79 0.32 -0.03 -0.09 -2.27 0.00 0.00 179.45 178.17 1k5b h ARG 51 N 0.50 0.54 -0.35 1.90 1.12 -1.99 -1.48 114.38 114.62 1k5b h ARG 51 Ca 0.44 -0.13 -0.05 0.00 -1.11 0.00 0.00 59.98 59.14 1k5b h ARG 51 Cb 0.95 -0.07 -0.02 0.00 -0.01 0.00 0.00 29.97 30.82 1k5b h ARG 51 CO -0.18 0.59 0.02 0.77 -3.11 0.00 0.00 179.97 178.05 1k5b h SER 52 N 0.51 0.49 -0.17 -3.80 0.02 -1.65 0.20 113.55 109.14 1k5b h SER 52 Ca 0.11 -0.09 -0.05 0.00 -0.84 0.00 0.00 61.79 60.92 1k5b h SER 52 Cb 0.38 -0.13 -0.00 0.00 0.14 0.00 0.00 62.40 62.78 1k5b h SER 52 CO 0.02 0.55 -0.09 0.40 -1.14 0.00 0.00 176.83 176.57 1k5b h ILE 53 N 0.51 1.31 -0.99 3.27 2.04 -1.39 -2.84 117.51 119.42 1k5b h ILE 53 Ca 0.11 -1.14 0.02 0.00 1.00 0.00 0.00 64.86 64.85 1k5b h ILE 53 Cb 0.31 1.69 -0.05 0.00 -0.74 0.00 0.00 36.82 38.03 1k5b h ILE 53 CO 0.01 0.34 0.65 0.50 0.00 0.00 0.00 178.15 179.65 1k5b h LYS 54 N 0.05 1.26 -0.01 2.37 3.64 -0.82 -1.89 116.57 121.17 1k5b h LYS 54 Ca 0.04 -0.08 0.00 0.00 -1.27 0.00 0.00 60.65 59.34 1k5b h LYS 54 Cb 0.57 -0.28 -0.00 0.00 -0.41 0.00 0.00 32.23 32.10 1k5b h LYS 54 CO 0.03 0.83 0.04 0.00 -2.27 0.00 0.00 179.45 178.07 1k5b h ALA 55 N 1.39 1.13 0.00 5.00 0.00 -0.38 -0.92 119.26 125.48 1k5b h ALA 55 Ca 0.38 -0.00 -0.01 0.00 0.00 0.00 0.00 54.91 55.28 1k5b h ALA 55 Cb -0.07 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 17.72 1k5b h ALA 55 CO -0.10 -0.04 -0.04 0.82 0.00 0.00 0.00 179.25 179.89 1k5b h ILE 56 N 0.00 0.37 0.00 0.00 2.04 -1.24 0.14 117.51 118.83 1k5b h ILE 56 Ca 0.00 -0.23 0.00 0.00 1.00 0.00 0.00 64.86 65.64 1k5b h ILE 56 Cb 0.07 1.16 0.00 0.00 -0.74 0.00 0.00 36.82 37.31 1k5b h ILE 56 CO -0.00 0.04 0.00 0.00 0.00 0.00 0.00 178.15 178.19 1k5b s GLU 58 N -3.07 2.10 0.64 0.00 2.02 0.00 -4.87 118.70 115.53 1k5b s GLU 58 Ca 0.10 -1.70 0.36 0.00 0.02 0.00 0.00 54.97 53.75 1k5b s GLU 58 Cb 0.14 -1.96 2.03 0.00 0.10 0.00 0.00 34.13 34.44 1k5b s GLU 58 CO 0.46 0.16 2.22 -0.97 0.02 0.00 0.00 175.26 177.16 1k5b h ASN 59 N 1.81 0.00 -0.91 -0.19 -0.73 -1.80 -2.42 115.58 111.35 1k5b h ASN 59 Ca -0.43 0.00 0.25 0.00 1.87 0.00 0.00 56.30 57.99 1k5b h ASN 59 Cb 1.25 0.00 -0.16 0.00 0.27 0.00 0.00 38.32 39.68 1k5b h ASN 59 CO 0.66 0.00 0.15 0.50 -0.37 0.00 0.00 177.43 178.36 1k5b h LYS 60 N 0.00 0.11 0.00 6.67 1.63 -1.93 -3.16 116.57 119.89 1k5b h LYS 60 Ca 0.02 -0.01 -0.13 0.00 -0.85 0.00 0.00 60.65 59.69 1k5b h LYS 60 Cb 0.22 -0.02 -0.27 0.00 -0.60 0.00 0.00 32.23 31.55 1k5b h LYS 60 CO -0.00 0.07 -0.84 -1.71 -3.45 0.00 0.00 179.45 173.52 1k5b n ASN 61 N -5.34 0.62 -3.53 4.20 5.15 -0.98 -4.97 115.26 110.41 1k5b n ASN 61 Ca 0.22 -1.98 -0.12 0.00 -0.60 0.00 0.00 54.58 52.10 1k5b n ASN 61 Cb 0.72 -0.24 -0.04 0.00 -0.53 0.00 0.00 39.78 39.70 1k5b n ASN 61 CO 0.00 0.00 0.00 -0.83 1.40 0.00 0.00 177.26 177.83 1k5b s GLY 62 N -1.65 -0.44 0.12 8.20 0.00 -0.95 -0.94 107.32 111.65 1k5b s GLY 62 Ca 0.23 0.26 0.05 0.00 0.00 0.00 0.00 44.72 45.26 1k5b s GLY 62 CO -0.11 -0.03 -0.12 -1.31 0.00 0.00 0.00 173.10 171.53 1k5b s ASN 63 N -2.68 1.77 0.74 1.64 0.02 -0.31 -4.30 114.94 111.81 1k5b s ASN 63 Ca 0.01 -0.86 -0.15 0.00 -1.02 0.00 0.00 52.86 50.85 1k5b s ASN 63 Cb 0.00 -0.03 0.04 0.00 0.02 0.00 0.00 41.25 41.28 1k5b s ASN 63 CO -0.11 -0.23 1.19 -2.16 0.02 0.00 0.00 177.10 175.81 1k5b s PRO 64 N -2.96 2.14 -0.18 -0.60 0.04 -1.26 -1.31 135.00 130.88 1k5b s PRO 64 Ca 0.10 1.70 -0.11 0.00 0.04 0.00 0.00 61.00 62.72 1k5b s PRO 64 Cb -0.03 -1.84 0.06 0.00 0.04 0.00 0.00 34.50 32.73 1k5b s PRO 64 CO 0.02 -1.82 0.45 -1.58 0.04 0.00 0.00 177.00 174.10 1k5b s HIS 65 N -2.08 -0.62 0.00 0.56 2.46 0.16 -4.59 115.29 111.18 1k5b s HIS 65 Ca 0.73 1.35 0.00 0.00 0.47 0.00 0.00 55.06 57.61 1k5b s HIS 65 Cb -0.28 0.28 0.00 0.00 -0.13 0.00 0.00 32.58 32.45 1k5b s HIS 65 CO 0.46 -0.34 0.00 0.54 -2.47 0.00 0.00 174.74 172.93 1k5b n ARG 66 N 3.93 0.00 -0.11 2.88 5.12 -1.26 -1.45 116.66 125.77 1k5b n ARG 66 Ca -0.21 0.00 0.04 0.00 -1.93 0.00 0.00 57.85 55.75 1k5b n ARG 66 Cb 0.56 0.00 0.10 0.00 -1.16 0.00 0.00 32.46 31.96 1k5b n ARG 66 CO 0.00 0.00 0.00 -0.85 -1.93 0.00 0.00 177.63 174.85 1k5b n GLU 67 N 3.58 2.44 -0.08 5.56 -0.00 -1.26 -4.67 120.64 126.21 1k5b n GLU 67 Ca 0.00 -1.75 0.00 0.00 -0.00 0.00 0.00 57.16 55.41 1k5b n GLU 67 Cb 0.00 -1.19 0.00 0.00 -0.00 0.00 0.00 31.44 30.25 1k5b n GLU 67 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.13 177.40 1k5b n ASN 68 N 0.29 0.00 -4.65 -1.84 6.94 -1.25 -5.15 115.26 109.60 1k5b n ASN 68 Ca 0.08 -0.76 -0.29 0.00 -0.02 0.00 0.00 54.58 53.60 1k5b n ASN 68 Cb 0.35 0.00 -0.10 0.00 -2.36 0.00 0.00 39.78 37.67 1k5b n ASN 68 CO 0.00 0.00 0.00 -0.76 -1.03 0.00 0.00 177.26 175.47 1k5b s LEU 69 N 0.00 2.79 0.03 -4.53 1.43 -0.53 -4.56 118.68 113.31 1k5b s LEU 69 Ca 0.00 -1.40 0.03 0.00 -1.03 0.00 0.00 54.13 51.72 1k5b s LEU 69 Cb 0.00 -0.90 -0.02 0.00 0.03 0.00 0.00 46.19 45.30 1k5b s LEU 69 CO 0.00 -0.53 -0.09 -0.13 0.23 0.00 0.00 176.35 175.84 1k5b s ARG 70 N -3.75 0.59 -0.05 1.70 0.52 0.18 0.37 118.95 118.52 1k5b s ARG 70 Ca 0.30 -0.58 0.06 0.00 -0.52 0.00 0.00 55.73 54.99 1k5b s ARG 70 Cb 0.08 -0.49 -0.01 0.00 0.52 0.00 0.00 34.95 35.05 1k5b s ARG 70 CO 0.16 0.11 -0.25 -1.50 0.02 0.00 0.00 175.30 173.84 1k5b s ILE 71 N -0.87 2.12 0.48 1.52 2.07 -0.42 0.26 121.20 126.35 1k5b s ILE 71 Ca -0.04 -1.06 -0.22 0.00 -1.41 0.00 0.00 60.65 57.93 1k5b s ILE 71 Cb -0.07 -1.76 -0.07 0.00 0.13 0.00 0.00 42.46 40.69 1k5b s ILE 71 CO 0.00 0.57 1.14 -0.94 -1.91 0.00 0.00 174.94 173.80 1k5b s SER 72 N -0.29 6.13 0.05 4.50 1.04 0.12 -1.17 113.70 124.08 1k5b s SER 72 Ca 0.00 2.22 -0.04 0.00 0.48 0.00 0.00 55.95 58.61 1k5b s SER 72 Cb -0.13 -2.59 -0.28 0.00 0.10 0.00 0.00 66.02 63.12 1k5b s SER 72 CO 0.02 -0.94 1.03 0.11 0.98 0.00 0.00 173.24 174.45 1k5b h LYS 73 N 1.85 0.27 -6.69 4.02 1.57 -1.38 -3.42 116.57 112.80 1k5b h LYS 73 Ca -0.49 -0.46 -0.49 0.00 -1.87 0.00 0.00 60.65 57.34 1k5b h LYS 73 Cb 1.25 0.17 0.02 0.00 0.08 0.00 0.00 32.23 33.74 1k5b h LYS 73 CO 0.59 1.18 -0.06 -1.54 -0.57 0.00 0.00 179.45 179.06 1k5b s SER 74 N -7.09 6.31 0.02 0.86 1.04 -1.26 -4.94 113.70 108.63 1k5b s SER 74 Ca -0.06 0.69 -0.06 0.00 0.48 0.00 0.00 55.95 57.00 1k5b s SER 74 Cb 0.07 -2.14 -0.05 0.00 0.10 0.00 0.00 66.02 64.00 1k5b s SER 74 CO 0.87 -0.40 0.28 -0.44 0.98 0.00 0.00 173.24 174.54 1k5b s SER 75 N -3.93 6.50 0.20 7.02 0.01 -1.26 -4.02 113.70 118.22 1k5b s SER 75 Ca 0.44 0.57 0.10 0.00 1.31 0.00 0.00 55.95 58.36 1k5b s SER 75 Cb -0.10 -2.09 -0.04 0.00 0.21 0.00 0.00 66.02 63.99 1k5b s SER 75 CO 0.39 0.23 -0.20 -0.36 0.41 0.00 0.00 173.24 173.71 1k5b s PHE 76 N -1.33 2.05 0.14 2.43 0.08 0.64 -4.81 117.98 117.18 1k5b s PHE 76 Ca 0.29 -0.42 -0.29 0.00 0.12 0.00 0.00 56.93 56.63 1k5b s PHE 76 Cb -0.13 -0.98 -0.07 0.00 -0.57 0.00 0.00 43.02 41.27 1k5b s PHE 76 CO 0.17 0.46 0.93 -0.65 -0.10 0.00 0.00 175.22 176.03 1k5b s GLN 77 N -2.98 4.71 0.05 0.44 -1.52 -1.26 -1.57 119.66 117.54 1k5b s GLN 77 Ca 0.21 1.41 -0.02 0.00 -1.95 0.00 0.00 55.36 55.01 1k5b s GLN 77 Cb -0.06 -3.35 -0.03 0.00 -0.22 0.00 0.00 33.01 29.35 1k5b s GLN 77 CO 0.09 0.31 -0.01 0.14 -0.25 0.00 0.00 175.29 175.58 1k5b s VAL 78 N -0.34 0.20 -0.08 1.09 -7.23 -0.42 -1.53 120.40 112.10 1k5b s VAL 78 Ca 0.44 -1.65 -0.02 0.00 -1.81 0.00 0.00 61.98 58.94 1k5b s VAL 78 Cb -0.24 -1.38 0.04 0.00 0.56 0.00 0.00 36.38 35.36 1k5b s VAL 78 CO 0.30 -0.91 0.04 -0.89 -0.31 0.00 0.00 175.10 173.32 1k5b s THR 79 N -3.66 0.12 -0.19 5.32 2.01 -0.51 -1.00 115.64 117.74 1k5b s THR 79 Ca 0.04 0.17 -0.09 0.00 0.31 0.00 0.00 61.69 62.12 1k5b s THR 79 Cb 0.06 -0.41 -0.05 0.00 0.01 0.00 0.00 72.50 72.11 1k5b s THR 79 CO -0.09 0.12 0.12 -0.89 -0.69 0.00 0.00 174.62 173.19 1k5b s THR 80 N 2.07 5.34 -0.25 -0.82 2.01 -0.14 -0.64 115.64 123.20 1k5b s THR 80 Ca 0.04 0.16 -0.07 0.00 0.31 0.00 0.00 61.69 62.13 1k5b s THR 80 Cb -0.13 -3.42 -0.02 0.00 0.01 0.00 0.00 72.50 68.94 1k5b s THR 80 CO -0.05 0.47 0.06 0.00 -0.69 0.00 0.00 174.62 174.41 1k5b s LYS 82 N 1.59 3.32 0.22 0.00 1.02 -0.28 -1.34 119.74 124.27 1k5b s LYS 82 Ca 0.06 -0.72 -0.32 0.00 0.02 0.00 0.00 55.97 55.01 1k5b s LYS 82 Cb -0.15 -2.58 -0.13 0.00 -0.52 0.00 0.00 37.83 34.45 1k5b s LYS 82 CO 0.03 0.19 1.59 -0.11 -0.92 0.00 0.00 175.35 176.12 1k5b n LEU 83 N 3.57 3.60 -4.42 3.17 7.94 0.39 -0.87 117.00 130.38 1k5b n LEU 83 Ca -0.18 1.10 -0.36 0.00 -1.11 0.00 0.00 56.01 55.46 1k5b n LEU 83 Cb 0.53 -1.50 -0.13 0.00 0.53 0.00 0.00 43.42 42.85 1k5b n LEU 83 CO 0.30 -0.11 -0.31 -2.28 -1.11 0.00 0.00 177.39 173.88 1k5b s HIS 84 N 0.59 3.05 0.00 1.96 5.65 0.97 -4.83 115.29 122.68 1k5b s HIS 84 Ca 0.73 -0.52 0.00 0.00 0.25 0.00 0.00 55.06 55.51 1k5b s HIS 84 Cb -0.59 -2.18 0.00 0.00 -1.18 0.00 0.00 32.58 28.63 1k5b s HIS 84 CO 0.41 -0.37 0.00 0.41 -0.65 0.00 0.00 174.74 174.54 1k5b n GLY 85 N 4.75 0.11 0.00 1.59 0.00 -1.26 -4.37 105.19 106.01 1k5b n GLY 85 Ca -0.17 -2.10 0.00 0.00 0.00 0.00 0.00 46.02 43.76 1k5b n GLY 85 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1k5b n GLY 86 N 0.00 0.00 3.72 -0.02 0.00 -1.26 -5.06 105.19 102.56 1k5b n GLY 86 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 1k5b n GLY 86 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1k5b s SER 87 N -1.22 6.60 0.00 1.61 0.15 -1.26 -4.87 113.70 114.70 1k5b s SER 87 Ca 0.00 2.60 0.23 0.00 0.70 0.00 0.00 55.95 59.49 1k5b s SER 87 Cb 0.00 -2.59 1.07 0.00 -1.71 0.00 0.00 66.02 62.79 1k5b s SER 87 CO 0.00 -0.81 1.73 -0.81 1.20 0.00 0.00 173.24 174.55 1k5b n PRO 88 N 3.92 1.42 -4.35 5.44 -0.05 -1.26 -4.83 135.00 135.30 1k5b n PRO 88 Ca 0.14 -0.63 -0.29 0.00 -0.05 0.00 0.00 63.50 62.67 1k5b n PRO 88 Cb 0.39 -1.40 -0.12 0.00 -0.05 0.00 0.00 33.50 32.31 1k5b n PRO 88 CO 0.00 0.00 0.00 -1.58 -0.05 0.00 0.00 175.50 173.87 1k5b s TRP 89 N -1.92 2.42 0.56 0.54 0.52 -1.26 -0.29 118.94 119.51 1k5b s TRP 89 Ca 0.35 -0.32 -0.19 0.00 0.02 0.00 0.00 56.10 55.95 1k5b s TRP 89 Cb 0.18 -1.29 -0.07 0.00 -1.15 0.00 0.00 33.47 31.13 1k5b s TRP 89 CO 0.28 0.37 0.83 -2.30 0.02 0.00 0.00 176.95 176.15 1k5b n PRO 90 N 0.84 0.84 -2.39 4.98 -0.02 -1.26 -4.32 135.00 133.67 1k5b n PRO 90 Ca -0.17 0.32 -0.41 0.00 -2.02 0.00 0.00 63.50 61.22 1k5b n PRO 90 Cb 0.53 -2.00 -0.03 0.00 -0.02 0.00 0.00 33.50 31.97 1k5b n PRO 90 CO 0.00 0.00 0.00 -1.25 1.98 0.00 0.00 175.50 176.23 1k5b s PRO 91 N -2.44 4.50 -0.35 0.52 0.04 -1.26 -5.13 135.00 130.88 1k5b s PRO 91 Ca 0.72 1.85 -0.19 0.00 0.04 0.00 0.00 61.00 63.42 1k5b s PRO 91 Cb -0.45 -3.25 -0.00 0.00 0.04 0.00 0.00 34.50 30.84 1k5b s PRO 91 CO 0.51 -0.08 0.58 0.00 0.04 0.00 0.00 177.00 178.05 1k5b s GLN 93 N 2.55 3.99 0.01 0.00 1.11 -1.26 -4.82 119.66 121.24 1k5b s GLN 93 Ca 0.22 0.50 0.02 0.00 0.01 0.00 0.00 55.36 56.11 1k5b s GLN 93 Cb -0.15 -3.20 -0.01 0.00 -1.01 0.00 0.00 33.01 28.64 1k5b s GLN 93 CO 0.14 0.66 -0.07 0.71 0.01 0.00 0.00 175.29 176.74 1k5b s TYR 94 N -1.12 0.66 -0.21 0.91 2.02 -1.26 -0.02 117.35 118.33 1k5b s TYR 94 Ca 0.26 -0.21 -0.06 0.00 -0.37 0.00 0.00 57.07 56.69 1k5b s TYR 94 Cb -0.17 -0.41 -0.03 0.00 -0.40 0.00 0.00 41.96 40.94 1k5b s TYR 94 CO 0.15 -0.02 0.03 1.03 -1.57 0.00 0.00 175.55 175.18 1k5b s ARG 95 N -0.53 3.73 -0.00 -0.62 0.52 -0.05 -4.59 118.95 117.41 1k5b s ARG 95 Ca -0.00 -0.46 -0.13 0.00 -0.52 0.00 0.00 55.73 54.61 1k5b s ARG 95 Cb -0.04 -3.17 -0.06 0.00 0.52 0.00 0.00 34.95 32.20 1k5b s ARG 95 CO 0.00 0.05 0.38 0.00 0.02 0.00 0.00 175.30 175.75 1k5b s ALA 96 N 0.95 3.72 -0.22 2.13 0.00 -1.26 -1.12 121.76 125.96 1k5b s ALA 96 Ca 0.03 -0.28 0.01 0.00 0.00 0.00 0.00 51.96 51.71 1k5b s ALA 96 Cb -0.14 -2.33 0.05 0.00 0.00 0.00 0.00 23.12 20.71 1k5b s ALA 96 CO 0.02 0.51 -0.07 0.99 0.00 0.00 0.00 175.76 177.21 1k5b s THR 97 N -1.12 1.56 -0.02 0.00 2.01 0.48 -4.73 115.64 113.81 1k5b s THR 97 Ca 0.24 -1.14 -0.21 0.00 0.31 0.00 0.00 61.69 60.89 1k5b s THR 97 Cb -0.16 -1.76 -0.05 0.00 0.01 0.00 0.00 72.50 70.54 1k5b s THR 97 CO 0.13 -0.01 0.60 0.00 -0.69 0.00 0.00 174.62 174.65 1k5b s ALA 98 N 1.40 3.46 0.33 7.40 0.00 -1.26 -0.97 121.76 132.11 1k5b s ALA 98 Ca -0.04 0.03 0.05 0.00 0.00 0.00 0.00 51.96 51.99 1k5b s ALA 98 Cb -0.18 -2.77 -0.02 0.00 0.00 0.00 0.00 23.12 20.15 1k5b s ALA 98 CO -0.07 0.11 0.33 0.41 0.00 0.00 0.00 175.76 176.54 1k5b n GLY 99 N 2.62 2.73 2.83 0.00 0.00 -0.17 -5.00 105.19 108.20 1k5b n GLY 99 Ca -0.06 -1.82 -0.13 0.00 0.00 0.00 0.00 46.02 44.01 1k5b n GLY 99 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1k5b s PHE 100 N -3.22 -0.68 0.29 1.61 5.36 -1.25 -1.30 117.98 118.78 1k5b s PHE 100 Ca 0.36 0.18 -0.20 0.00 -0.96 0.00 0.00 56.93 56.32 1k5b s PHE 100 Cb 0.01 -0.28 0.05 0.00 -0.34 0.00 0.00 43.02 42.46 1k5b s PHE 100 CO 0.26 -0.88 0.82 -0.98 -1.46 0.00 0.00 175.22 172.98 1k5b s ARG 101 N 2.45 1.81 0.85 10.12 1.70 -0.61 -4.81 118.95 130.47 1k5b s ARG 101 Ca 0.10 -1.09 -0.12 0.00 -0.47 0.00 0.00 55.73 54.15 1k5b s ARG 101 Cb -0.14 0.56 0.10 0.00 -0.57 0.00 0.00 34.95 34.90 1k5b s ARG 101 CO -0.27 -0.84 1.10 0.54 -1.08 0.00 0.00 175.30 174.75 1k5b s ASN 102 N -3.04 3.94 0.18 -2.89 4.22 -1.26 -0.26 114.94 115.83 1k5b s ASN 102 Ca 0.14 1.31 0.07 0.00 -2.14 0.00 0.00 52.86 52.25 1k5b s ASN 102 Cb -0.05 -2.01 -0.04 0.00 1.28 0.00 0.00 41.25 40.43 1k5b s ASN 102 CO 0.08 -2.32 -0.14 0.68 -2.04 0.00 0.00 177.10 173.35 1k5b s VAL 103 N -3.09 1.62 -0.13 3.54 -7.23 -1.26 -4.85 120.40 108.99 1k5b s VAL 103 Ca 0.62 -2.06 -0.01 0.00 -1.81 0.00 0.00 61.98 58.72 1k5b s VAL 103 Cb -0.16 -1.90 -0.02 0.00 0.56 0.00 0.00 36.38 34.86 1k5b s VAL 103 CO 0.55 -0.54 -0.10 -0.69 -0.31 0.00 0.00 175.10 174.02 1k5b s VAL 104 N -2.72 3.38 0.19 1.32 1.01 -1.26 0.11 120.40 122.43 1k5b s VAL 104 Ca 0.18 -0.55 -0.01 0.00 0.00 0.00 0.00 61.98 61.60 1k5b s VAL 104 Cb -0.02 -2.44 -0.04 0.00 0.00 0.00 0.00 36.38 33.89 1k5b s VAL 104 CO 0.05 0.52 0.13 0.68 0.00 0.00 0.00 175.10 176.48 1k5b s VAL 105 N 0.24 0.02 -0.06 2.92 -7.23 0.14 -1.68 120.40 114.74 1k5b s VAL 105 Ca -0.06 -1.96 0.03 0.00 -1.81 0.00 0.00 61.98 58.18 1k5b s VAL 105 Cb -0.15 -2.40 -0.02 0.00 0.56 0.00 0.00 36.38 34.37 1k5b s VAL 105 CO 0.04 -0.09 -0.15 0.00 -0.31 0.00 0.00 175.10 174.59 1k5b s ALA 106 N -4.13 2.61 0.07 1.32 0.00 -0.29 0.52 121.76 121.86 1k5b s ALA 106 Ca 0.35 -0.97 0.08 0.00 0.00 0.00 0.00 51.96 51.42 1k5b s ALA 106 Cb 0.07 -0.97 -0.04 0.00 0.00 0.00 0.00 23.12 22.18 1k5b s ALA 106 CO 0.10 0.50 -0.19 0.00 0.00 0.00 0.00 175.76 176.16 1k5b s GLU 108 N -1.70 0.42 -1.60 0.00 2.12 0.24 -4.80 118.70 113.37 1k5b s GLU 108 Ca 0.15 0.04 -0.12 0.00 0.36 0.00 0.00 54.97 55.40 1k5b s GLU 108 Cb -0.10 -0.56 0.10 0.00 0.26 0.00 0.00 34.13 33.82 1k5b s GLU 108 CO 0.07 -0.12 0.62 0.09 -0.54 0.00 0.00 175.26 175.38 1k5b n ASN 109 N 4.13 -2.11 -0.22 -1.70 3.02 -1.26 -0.54 115.26 116.58 1k5b n ASN 109 Ca -0.26 -1.03 -0.03 0.00 -0.03 0.00 0.00 54.58 53.23 1k5b n ASN 109 Cb 0.50 -2.77 -0.01 0.00 -0.61 0.00 0.00 39.78 36.89 1k5b n ASN 109 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1k5b n GLY 110 N -1.66 0.53 3.22 7.41 0.00 -1.26 -5.01 105.19 108.42 1k5b n GLY 110 Ca -0.07 -0.19 -0.27 0.00 0.00 0.00 0.00 46.02 45.49 1k5b n GLY 110 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1k5b s LEU 111 N -0.65 2.04 0.05 0.99 1.43 0.29 -4.76 118.68 118.08 1k5b s LEU 111 Ca 0.00 -0.37 -0.31 0.00 -1.03 0.00 0.00 54.13 52.42 1k5b s LEU 111 Cb 0.00 -1.05 -0.07 0.00 0.03 0.00 0.00 46.19 45.10 1k5b s LEU 111 CO 0.00 0.25 1.40 -2.16 0.23 0.00 0.00 176.35 176.07 1k5b s PRO 112 N -0.48 4.30 0.00 1.29 0.04 -1.26 -0.59 135.00 138.29 1k5b s PRO 112 Ca 0.08 2.02 0.00 0.00 0.04 0.00 0.00 61.00 63.14 1k5b s PRO 112 Cb -0.08 -3.43 0.00 0.00 0.04 0.00 0.00 34.50 31.03 1k5b s PRO 112 CO -0.01 -0.51 0.37 1.33 0.04 0.00 0.00 177.00 178.22 1k5b n VAL 113 N 4.34 0.00 -3.66 -0.36 0.24 0.32 -4.32 118.33 114.88 1k5b n VAL 113 Ca 0.12 -0.44 -0.12 0.00 -2.04 0.00 0.00 64.34 61.87 1k5b n VAL 113 Cb 0.43 1.11 -0.08 0.00 -1.47 0.00 0.00 33.84 33.83 1k5b n VAL 113 CO 0.00 0.00 0.00 -2.28 -2.14 0.00 0.00 176.83 172.41 1k5b s HIS 114 N -0.13 -0.77 -0.22 6.34 5.65 -1.17 -4.71 115.29 120.29 1k5b s HIS 114 Ca 0.00 1.73 -0.06 0.00 0.25 0.00 0.00 55.06 56.98 1k5b s HIS 114 Cb 0.00 0.34 -0.03 0.00 -1.18 0.00 0.00 32.58 31.71 1k5b s HIS 114 CO 0.00 -0.38 0.03 -1.17 -0.65 0.00 0.00 174.74 172.58 1k5b s LEU 115 N 0.79 3.39 -0.48 8.88 0.20 -1.26 -1.13 118.68 129.06 1k5b s LEU 115 Ca -0.04 -0.17 -0.28 0.00 0.69 0.00 0.00 54.13 54.33 1k5b s LEU 115 Cb -0.05 -1.88 0.03 0.00 -0.43 0.00 0.00 46.19 43.86 1k5b s LEU 115 CO -0.06 0.04 1.11 -0.62 -0.29 0.00 0.00 176.35 176.53 1k5b s ASP 116 N 1.17 6.60 0.00 3.68 2.15 -0.68 -4.86 116.67 124.73 1k5b s ASP 116 Ca 0.04 0.38 0.28 0.00 0.43 0.00 0.00 52.55 53.68 1k5b s ASP 116 Cb -0.14 -2.54 1.19 0.00 -0.30 0.00 0.00 42.92 41.13 1k5b s ASP 116 CO 0.02 -1.25 1.82 0.00 -0.17 0.00 0.00 175.17 175.60 1k5b n GLN 117 N 7.80 1.52 0.04 4.34 10.64 -1.26 -4.05 117.38 136.42 1k5b n GLN 117 Ca 0.11 -0.75 0.07 0.00 -1.83 0.00 0.00 57.00 54.60 1k5b n GLN 117 Cb 0.49 -1.47 0.32 0.00 -0.86 0.00 0.00 30.24 28.72 1k5b n GLN 117 CO 0.00 0.00 0.00 -1.13 -1.83 0.00 0.00 177.06 174.10 1k5b n SER 118 N -0.08 0.21 -0.32 2.61 3.41 -1.26 -1.95 113.62 116.24 1k5b n SER 118 Ca 0.20 0.56 0.12 0.00 -0.26 0.00 0.00 58.87 59.49 1k5b n SER 118 Cb 0.29 -0.60 0.27 0.00 -0.26 0.00 0.00 64.21 63.91 1k5b n SER 118 CO 0.00 0.00 0.00 2.30 -0.16 0.00 0.00 175.04 177.18 1k5b n ILE 119 N -1.74 0.00 0.60 -1.33 -5.35 -1.26 -5.24 119.36 105.04 1k5b n ILE 119 Ca 0.02 -0.17 0.07 0.00 -0.27 0.00 0.00 62.75 62.41 1k5b n ILE 119 Cb 0.15 0.65 0.06 0.00 -1.74 0.00 0.00 39.64 38.75 1k5b n ILE 119 CO 0.00 0.00 0.00 0.49 -1.76 0.00 0.00 176.55 175.28