#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1k5a h SER 4 N 0.00 0.00 -0.43 1.20 4.64 -2.03 -3.00 113.55 113.92 1k5a h SER 4 Ca 0.00 0.00 -0.15 0.00 -0.47 0.00 0.00 61.79 61.17 1k5a h SER 4 Cb 0.00 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.08 1k5a h SER 4 CO 0.00 0.48 -0.30 0.03 -0.87 0.00 0.00 176.83 176.17 1k5a h ARG 5 N 0.00 0.96 -0.33 4.77 3.08 -1.96 0.62 114.38 121.52 1k5a h ARG 5 Ca -0.00 -0.46 -0.08 0.00 0.07 0.00 0.00 59.98 59.50 1k5a h ARG 5 Cb 0.87 -0.01 -0.02 0.00 0.08 0.00 0.00 29.97 30.90 1k5a h ARG 5 CO 0.06 1.13 -0.14 -0.92 -1.07 0.00 0.00 179.97 179.03 1k5a h TYR 6 N 0.80 0.63 -0.48 3.04 3.20 -1.74 0.20 116.97 122.63 1k5a h TYR 6 Ca 0.08 -0.11 -0.07 0.00 3.14 0.00 0.00 58.73 61.77 1k5a h TYR 6 Cb 0.89 -0.17 -0.02 0.00 1.54 0.00 0.00 36.73 38.98 1k5a h TYR 6 CO 0.06 0.70 0.01 1.15 -1.64 0.00 0.00 178.16 178.43 1k5a h THR 7 N 0.53 1.26 -0.33 1.81 2.02 -1.34 -2.42 112.91 114.45 1k5a h THR 7 Ca 0.09 -1.05 -0.05 0.00 0.77 0.00 0.00 66.41 66.18 1k5a h THR 7 Cb 0.55 1.00 -0.01 0.00 -1.74 0.00 0.00 68.15 67.94 1k5a h THR 7 CO 0.03 0.37 0.01 -0.74 0.37 0.00 0.00 175.52 175.56 1k5a h HIS 8 N 0.69 0.62 -0.84 3.16 -0.00 -0.47 -2.57 115.15 115.74 1k5a h HIS 8 Ca 0.14 -0.10 0.14 0.00 -0.00 0.00 0.00 60.37 60.54 1k5a h HIS 8 Cb 0.50 -0.16 -0.09 0.00 -0.00 0.00 0.00 27.41 27.65 1k5a h HIS 8 CO 0.04 0.68 0.44 0.35 -0.00 0.00 0.00 177.93 179.44 1k5a h PHE 9 N 0.38 0.77 -0.15 5.26 3.57 -0.35 -1.40 116.94 125.02 1k5a h PHE 9 Ca 0.09 0.03 -0.18 0.00 3.53 0.00 0.00 57.97 61.45 1k5a h PHE 9 Cb 0.43 -0.22 -0.00 0.00 2.79 0.00 0.00 35.95 38.95 1k5a h PHE 9 CO 0.03 0.20 -0.63 -0.07 -2.23 0.00 0.00 178.31 175.61 1k5a h LEU 10 N 0.64 0.62 -1.15 0.59 3.38 -1.36 0.47 115.31 118.51 1k5a h LEU 10 Ca 0.45 -0.37 -0.08 0.00 0.09 0.00 0.00 57.88 57.97 1k5a h LEU 10 Cb 0.61 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 41.17 1k5a h LEU 10 CO -0.35 1.10 -0.39 0.74 0.09 0.00 0.00 178.44 179.63 1k5a h THR 11 N 0.40 1.12 0.06 0.22 2.02 -0.94 -1.75 112.91 114.04 1k5a h THR 11 Ca -0.01 -1.43 -0.36 0.00 0.77 0.00 0.00 66.41 65.38 1k5a h THR 11 Cb 1.20 1.81 -0.04 0.00 -1.74 0.00 0.00 68.15 69.38 1k5a h THR 11 CO 0.12 0.39 -2.10 0.00 0.37 0.00 0.00 175.52 174.29 1k5a n GLN 12 N -3.83 0.71 -0.16 6.66 6.02 -0.60 -4.70 117.38 121.47 1k5a n GLN 12 Ca -0.01 0.22 0.08 0.00 -0.01 0.00 0.00 57.00 57.28 1k5a n GLN 12 Cb 0.46 -1.66 0.15 0.00 1.02 0.00 0.00 30.24 30.21 1k5a n GLN 12 CO 0.00 0.00 0.00 0.72 -1.01 0.00 0.00 177.06 176.77 1k5a n HIS 13 N -3.30 0.26 -3.75 1.08 8.25 0.16 -4.74 115.22 113.18 1k5a n HIS 13 Ca -0.33 -0.89 -0.15 0.00 -0.26 0.00 0.00 57.72 56.10 1k5a n HIS 13 Cb 1.04 -0.17 -0.15 0.00 1.12 0.00 0.00 29.99 31.83 1k5a n HIS 13 CO 0.00 0.00 0.00 -0.47 0.64 0.00 0.00 176.34 176.51 1k5a s TYR 14 N -2.56 -0.08 -0.19 4.41 5.04 -0.66 -0.49 117.35 122.82 1k5a s TYR 14 Ca 0.30 0.34 -0.05 0.00 -2.44 0.00 0.00 57.07 55.23 1k5a s TYR 14 Cb 0.26 -0.18 0.07 0.00 0.35 0.00 0.00 41.96 42.46 1k5a s TYR 14 CO 0.05 -0.14 0.11 0.34 -1.34 0.00 0.00 175.55 174.56 1k5a s ASP 15 N 1.27 2.47 0.11 4.32 3.68 -0.43 -4.80 116.67 123.28 1k5a s ASP 15 Ca -0.08 -0.70 -0.35 0.00 2.13 0.00 0.00 52.55 53.56 1k5a s ASP 15 Cb -0.12 -0.20 -0.15 0.00 -1.45 0.00 0.00 42.92 41.00 1k5a s ASP 15 CO -0.05 -0.36 1.55 0.00 0.13 0.00 0.00 175.17 176.44 1k5a h ALA 16 N 8.41 -1.00 -3.11 3.66 0.00 -1.79 -3.32 119.26 122.11 1k5a h ALA 16 Ca -0.16 -0.11 -0.58 0.00 0.00 0.00 0.00 54.91 54.06 1k5a h ALA 16 Cb 1.12 0.91 -0.40 0.00 0.00 0.00 0.00 17.79 19.43 1k5a h ALA 16 CO 0.32 -1.13 -0.76 0.21 0.00 0.00 0.00 179.25 177.89 1k5a s LYS 17 N -5.76 0.74 -0.07 0.00 2.20 -1.26 -1.24 119.74 114.34 1k5a s LYS 17 Ca -0.16 -1.14 -0.22 0.00 -0.36 0.00 0.00 55.97 54.08 1k5a s LYS 17 Cb 0.06 -1.97 -0.04 0.00 -1.51 0.00 0.00 37.83 34.37 1k5a s LYS 17 CO 0.61 -1.01 0.64 -1.25 -0.36 0.00 0.00 175.35 173.98 1k5a s PRO 18 N 1.51 4.41 -0.50 4.03 0.04 -1.26 -5.03 135.00 138.19 1k5a s PRO 18 Ca 0.11 0.78 -0.19 0.00 0.04 0.00 0.00 61.00 61.74 1k5a s PRO 18 Cb -0.18 -3.43 0.06 0.00 0.04 0.00 0.00 34.50 30.99 1k5a s PRO 18 CO -0.23 0.13 0.60 -0.65 0.04 0.00 0.00 177.00 176.89 1k5a s GLN 19 N 0.62 3.12 0.00 4.56 -0.21 -1.26 -4.81 119.66 121.68 1k5a s GLN 19 Ca 0.34 -0.91 0.00 0.00 0.02 0.00 0.00 55.36 54.81 1k5a s GLN 19 Cb -0.17 -4.09 0.00 0.00 1.00 0.00 0.00 33.01 29.74 1k5a s GLN 19 CO 0.17 -1.19 0.00 0.41 -2.12 0.00 0.00 175.29 172.55 1k5a n GLY 20 N 5.17 -2.03 2.64 3.09 0.00 -1.26 -4.93 105.19 107.87 1k5a n GLY 20 Ca -0.07 -1.27 -0.11 0.00 0.00 0.00 0.00 46.02 44.58 1k5a n GLY 20 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1k5a n ARG 21 N -0.54 1.58 -1.28 1.61 1.74 -1.26 -4.84 116.66 113.67 1k5a n ARG 21 Ca 0.00 -3.47 0.00 0.00 -0.77 0.00 0.00 57.85 53.61 1k5a n ARG 21 Cb 0.00 -1.44 0.00 0.00 -1.02 0.00 0.00 32.46 30.00 1k5a n ARG 21 CO 0.00 0.00 0.00 -0.40 -1.52 0.00 0.00 177.63 175.71 1k5a n ASP 22 N -0.19 0.57 -0.17 0.55 3.85 -1.26 -4.46 116.55 115.43 1k5a n ASP 22 Ca 0.14 -0.99 0.06 0.00 -0.71 0.00 0.00 54.79 53.28 1k5a n ASP 22 Cb 0.80 0.00 0.35 0.00 -1.35 0.00 0.00 41.12 40.92 1k5a n ASP 22 CO 0.00 0.00 0.00 0.44 -1.01 0.00 0.00 177.20 176.63 1k5a h ASP 23 N 0.00 0.67 -0.50 -1.12 3.32 -1.87 -1.82 116.42 115.10 1k5a h ASP 23 Ca 0.00 0.00 -0.07 0.00 0.02 0.00 0.00 57.03 56.98 1k5a h ASP 23 Cb 0.00 -0.14 -0.02 0.00 0.22 0.00 0.00 39.33 39.38 1k5a h ASP 23 CO 0.00 0.44 0.04 0.03 -1.72 0.00 0.00 179.24 178.03 1k5a h ARG 24 N 0.76 0.90 -0.13 3.56 3.08 -1.95 -1.73 114.38 118.88 1k5a h ARG 24 Ca 0.30 -0.24 -0.02 0.00 0.07 0.00 0.00 59.98 60.09 1k5a h ARG 24 Cb 0.21 -0.11 -0.00 0.00 0.08 0.00 0.00 29.97 30.15 1k5a h ARG 24 CO -0.10 0.87 -0.00 -0.92 -1.07 0.00 0.00 179.97 178.75 1k5a h TYR 25 N 0.84 0.25 -0.25 3.04 3.20 -1.67 -2.30 116.97 120.09 1k5a h TYR 25 Ca 0.17 -0.04 0.05 0.00 3.14 0.00 0.00 58.73 62.05 1k5a h TYR 25 Cb 0.44 -0.06 -0.05 0.00 1.54 0.00 0.00 36.73 38.59 1k5a h TYR 25 CO 0.03 0.47 -0.10 0.00 -1.64 0.00 0.00 178.16 176.92 1k5a h GLU 27 N -0.06 1.25 0.54 0.00 5.08 -1.33 -0.54 114.58 119.52 1k5a h GLU 27 Ca 0.13 -0.08 -0.03 0.00 -1.00 0.00 0.00 59.36 58.39 1k5a h GLU 27 Cb 0.26 -0.28 0.01 0.00 0.50 0.00 0.00 28.75 29.23 1k5a h GLU 27 CO -0.29 0.83 -0.26 1.03 -1.00 0.00 0.00 179.01 179.32 1k5a h SER 28 N 1.29 -0.61 0.09 1.42 0.87 -0.65 -2.89 113.55 113.07 1k5a h SER 28 Ca 0.38 -0.02 -0.06 0.00 -1.23 0.00 0.00 61.79 60.87 1k5a h SER 28 Cb -0.06 0.16 -0.01 0.00 -0.44 0.00 0.00 62.40 62.05 1k5a h SER 28 CO -0.11 -0.21 -0.19 -0.29 -0.53 0.00 0.00 176.83 175.50 1k5a h ILE 29 N -1.14 1.20 -0.55 2.23 2.10 -0.32 -0.82 117.51 120.20 1k5a h ILE 29 Ca -0.07 -0.90 -0.08 0.00 1.08 0.00 0.00 64.86 64.88 1k5a h ILE 29 Cb 0.59 1.32 -0.02 0.00 -1.09 0.00 0.00 36.82 37.62 1k5a h ILE 29 CO 0.12 0.28 0.01 0.24 -1.08 0.00 0.00 178.15 177.72 1k5a h MET 30 N 0.19 0.93 0.45 2.19 2.86 -1.19 -1.36 114.93 118.99 1k5a h MET 30 Ca 0.03 -0.26 -0.02 0.00 -2.06 0.00 0.00 59.70 57.39 1k5a h MET 30 Cb 0.45 -0.10 0.00 0.00 0.06 0.00 0.00 31.60 32.01 1k5a h MET 30 CO 0.03 0.91 -0.22 -0.09 1.06 0.00 0.00 176.91 178.61 1k5a h ARG 31 N 0.86 -0.58 0.00 1.72 2.43 -1.15 -0.57 114.38 117.09 1k5a h ARG 31 Ca 0.16 0.04 -0.00 0.00 -0.81 0.00 0.00 59.98 59.37 1k5a h ARG 31 Cb 0.49 0.13 -0.00 0.00 -0.42 0.00 0.00 29.97 30.17 1k5a h ARG 31 CO 0.02 -0.29 -0.00 0.00 -1.51 0.00 0.00 179.97 178.19 1k5a h ARG 32 N -0.82 0.00 -0.64 0.20 3.08 -1.08 -2.47 114.38 112.66 1k5a h ARG 32 Ca -0.06 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.99 1k5a h ARG 32 Cb 0.56 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.61 1k5a h ARG 32 CO 0.10 0.00 0.00 0.54 -1.07 0.00 0.00 179.97 179.54 1k5a n ARG 33 N -4.09 3.36 -2.72 0.04 5.12 -0.52 -4.94 116.66 112.91 1k5a n ARG 33 Ca -0.03 -2.43 -0.13 0.00 -1.93 0.00 0.00 57.85 53.33 1k5a n ARG 33 Cb 0.09 -1.82 0.02 0.00 -1.16 0.00 0.00 32.46 29.59 1k5a n ARG 33 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1k5a n GLY 34 N 1.00 0.01 0.99 -0.13 0.00 -0.93 -4.88 105.19 101.24 1k5a n GLY 34 Ca 0.22 -0.26 0.08 0.00 0.00 0.00 0.00 46.02 46.06 1k5a n GLY 34 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1k5a n LEU 35 N -2.44 3.93 -0.50 0.99 4.32 -0.23 -4.64 117.00 118.43 1k5a n LEU 35 Ca -0.06 -2.76 0.07 0.00 -0.02 0.00 0.00 56.01 53.24 1k5a n LEU 35 Cb 0.57 -0.50 0.18 0.00 -1.62 0.00 0.00 43.42 42.04 1k5a n LEU 35 CO 0.27 0.69 0.63 0.35 -1.22 0.00 0.00 177.39 178.12 1k5a n THR 36 N -0.08 1.80 -3.43 -5.08 -2.24 -1.25 -1.20 114.28 102.80 1k5a n THR 36 Ca 0.20 -1.74 -0.27 0.00 -2.27 0.00 0.00 64.05 59.98 1k5a n THR 36 Cb 0.83 -0.03 -0.10 0.00 -2.10 0.00 0.00 70.33 68.93 1k5a n THR 36 CO 0.00 0.00 0.00 -0.44 -0.57 0.00 0.00 175.07 174.06 1k5a s SER 37 N -1.93 1.74 0.75 3.42 0.01 -1.26 -3.27 113.70 113.16 1k5a s SER 37 Ca 0.31 -3.07 -0.10 0.00 1.31 0.00 0.00 55.95 54.40 1k5a s SER 37 Cb 0.24 -0.52 0.06 0.00 0.21 0.00 0.00 66.02 66.02 1k5a s SER 37 CO 0.07 -0.17 1.11 -2.16 0.41 0.00 0.00 173.24 172.50 1k5a s PRO 38 N 0.02 2.22 0.14 12.44 0.04 -1.26 -5.09 135.00 143.50 1k5a s PRO 38 Ca 0.31 0.06 -0.33 0.00 0.04 0.00 0.00 61.00 61.08 1k5a s PRO 38 Cb 0.02 -2.04 -0.13 0.00 0.04 0.00 0.00 34.50 32.39 1k5a s PRO 38 CO -0.18 -1.37 1.68 0.00 0.04 0.00 0.00 177.00 177.17 1k5a s LYS 40 N 1.57 4.42 0.18 0.00 2.20 -0.34 -4.96 119.74 122.82 1k5a s LYS 40 Ca 0.80 1.80 -0.08 0.00 -0.36 0.00 0.00 55.97 58.13 1k5a s LYS 40 Cb -0.62 -2.97 0.08 0.00 -1.51 0.00 0.00 37.83 32.81 1k5a s LYS 40 CO 0.38 0.01 1.59 0.22 -0.36 0.00 0.00 175.35 177.19 1k5a h ASP 41 N 3.32 0.94 -3.56 1.43 3.58 -1.91 -3.41 116.42 116.80 1k5a h ASP 41 Ca -0.48 -0.34 -0.14 0.00 0.42 0.00 0.00 57.03 56.49 1k5a h ASP 41 Cb 1.22 -0.26 -0.26 0.00 1.72 0.00 0.00 39.33 41.75 1k5a h ASP 41 CO 0.65 1.11 -0.33 -0.63 -2.88 0.00 0.00 179.24 177.16 1k5a s ILE 42 N -4.68 -0.02 -0.18 2.25 1.01 -1.26 -0.58 121.20 117.75 1k5a s ILE 42 Ca -0.11 0.06 -0.10 0.00 0.00 0.00 0.00 60.65 60.51 1k5a s ILE 42 Cb 0.13 -0.51 0.06 0.00 0.01 0.00 0.00 42.46 42.15 1k5a s ILE 42 CO 0.86 0.02 0.43 0.21 0.00 0.00 0.00 174.94 176.46 1k5a s ASN 43 N 0.78 -0.53 -0.11 3.58 2.47 -0.74 -4.98 114.94 115.41 1k5a s ASN 43 Ca -0.05 0.94 -0.04 0.00 0.42 0.00 0.00 52.86 54.13 1k5a s ASN 43 Cb -0.06 0.85 -0.04 0.00 -1.45 0.00 0.00 41.25 40.55 1k5a s ASN 43 CO -0.05 -0.20 0.07 -0.89 -3.72 0.00 0.00 177.10 172.31 1k5a s THR 44 N 1.49 4.90 -0.13 -5.21 2.01 -1.26 -0.81 115.64 116.62 1k5a s THR 44 Ca -0.09 -0.02 -0.00 0.00 0.31 0.00 0.00 61.69 61.88 1k5a s THR 44 Cb -0.08 -3.10 -0.01 0.00 0.01 0.00 0.00 72.50 69.31 1k5a s THR 44 CO -0.13 0.61 -0.13 -0.36 -0.69 0.00 0.00 174.62 173.91 1k5a s PHE 45 N -0.91 2.80 -0.17 4.92 0.08 -0.35 -4.47 117.98 119.88 1k5a s PHE 45 Ca 0.14 -0.69 -0.10 0.00 0.12 0.00 0.00 56.93 56.40 1k5a s PHE 45 Cb -0.12 -1.85 -0.05 0.00 -0.57 0.00 0.00 43.02 40.44 1k5a s PHE 45 CO 0.03 -0.24 0.17 0.42 -0.10 0.00 0.00 175.22 175.50 1k5a s ILE 46 N 0.40 5.40 0.27 0.64 1.01 0.36 -1.87 121.20 127.41 1k5a s ILE 46 Ca -0.11 0.28 0.09 0.00 0.00 0.00 0.00 60.65 60.91 1k5a s ILE 46 Cb -0.16 -3.49 -0.04 0.00 0.01 0.00 0.00 42.46 38.78 1k5a s ILE 46 CO 0.05 0.47 0.08 -1.00 0.00 0.00 0.00 174.94 174.54 1k5a s HIS 47 N 0.08 2.84 0.00 3.97 3.76 -0.89 -1.32 115.29 123.73 1k5a s HIS 47 Ca 0.11 -0.20 0.00 0.00 -0.15 0.00 0.00 55.06 54.82 1k5a s HIS 47 Cb -0.12 -1.32 0.00 0.00 1.11 0.00 0.00 32.58 32.25 1k5a s HIS 47 CO 0.01 0.55 0.00 0.41 -0.85 0.00 0.00 174.74 174.86 1k5a n GLY 48 N -1.03 0.14 3.69 -2.22 0.00 -0.38 -4.47 105.19 100.93 1k5a n GLY 48 Ca -0.06 -2.25 -0.41 0.00 0.00 0.00 0.00 46.02 43.30 1k5a n GLY 48 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1k5a s ASN 49 N -4.00 6.98 0.27 1.61 0.02 -1.26 -4.50 114.94 114.06 1k5a s ASN 49 Ca 0.00 1.19 -0.01 0.00 -1.02 0.00 0.00 52.86 53.02 1k5a s ASN 49 Cb 0.00 -2.44 0.60 0.00 0.02 0.00 0.00 41.25 39.43 1k5a s ASN 49 CO 0.00 -0.27 1.68 0.50 0.02 0.00 0.00 177.10 179.03 1k5a h LYS 50 N 7.08 0.28 -0.97 -0.60 3.64 -1.99 -1.31 116.57 122.69 1k5a h LYS 50 Ca -0.35 -0.02 0.15 0.00 -1.27 0.00 0.00 60.65 59.16 1k5a h LYS 50 Cb 1.17 -0.06 -0.09 0.00 -0.41 0.00 0.00 32.23 32.84 1k5a h LYS 50 CO 0.79 0.18 0.61 0.07 -2.27 0.00 0.00 179.45 178.84 1k5a h ARG 51 N 0.29 0.80 0.00 1.90 0.11 -1.99 -0.36 114.38 115.13 1k5a h ARG 51 Ca 0.49 -0.05 -0.12 0.00 0.10 0.00 0.00 59.98 60.40 1k5a h ARG 51 Cb 0.91 -0.18 -0.02 0.00 1.11 0.00 0.00 29.97 31.79 1k5a h ARG 51 CO -0.56 0.53 -0.59 0.77 0.10 0.00 0.00 179.97 180.22 1k5a h SER 52 N 0.83 0.00 -0.12 0.08 0.02 -1.65 -1.03 113.55 111.67 1k5a h SER 52 Ca 0.51 0.00 -0.05 0.00 -0.84 0.00 0.00 61.79 61.40 1k5a h SER 52 Cb 0.69 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 63.23 1k5a h SER 52 CO -0.28 0.59 -0.13 0.40 -1.14 0.00 0.00 176.83 176.28 1k5a h ILE 53 N 0.00 1.35 -0.58 3.27 2.04 -1.12 -3.18 117.51 119.29 1k5a h ILE 53 Ca -0.01 -1.29 0.04 0.00 1.00 0.00 0.00 64.86 64.60 1k5a h ILE 53 Cb 1.05 1.93 -0.05 0.00 -0.74 0.00 0.00 36.82 39.01 1k5a h ILE 53 CO 0.08 0.37 0.33 0.50 0.00 0.00 0.00 178.15 179.43 1k5a h LYS 54 N -0.09 0.61 0.00 2.37 3.64 -1.00 -2.14 116.57 119.96 1k5a h LYS 54 Ca 0.02 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.36 1k5a h LYS 54 Cb 0.66 -0.14 0.00 0.00 -0.41 0.00 0.00 32.23 32.34 1k5a h LYS 54 CO 0.03 0.41 0.00 0.00 -2.27 0.00 0.00 179.45 177.62 1k5a n ALA 55 N -2.32 1.11 0.21 5.00 0.00 -0.40 -1.46 120.51 122.65 1k5a n ALA 55 Ca 0.06 -0.00 0.06 0.00 0.00 0.00 0.00 53.44 53.55 1k5a n ALA 55 Cb 0.13 -1.05 0.48 0.00 0.00 0.00 0.00 19.45 19.01 1k5a n ALA 55 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.50 178.32 1k5a h ILE 56 N 0.00 1.05 0.00 0.00 2.04 -1.37 -2.32 117.51 116.91 1k5a h ILE 56 Ca 0.00 -0.94 0.00 0.00 1.00 0.00 0.00 64.86 64.92 1k5a h ILE 56 Cb 0.04 1.52 0.00 0.00 -0.74 0.00 0.00 36.82 37.65 1k5a h ILE 56 CO 0.00 0.26 0.00 0.00 0.00 0.00 0.00 178.15 178.41 1k5a s GLU 58 N -3.13 2.22 0.35 0.00 -1.05 -0.93 -4.92 118.70 111.24 1k5a s GLU 58 Ca 0.05 -2.44 0.26 0.00 -0.15 0.00 0.00 54.97 52.70 1k5a s GLU 58 Cb 0.09 -1.43 0.86 0.00 -0.44 0.00 0.00 34.13 33.21 1k5a s GLU 58 CO 0.30 -0.43 1.77 -0.91 0.95 0.00 0.00 175.26 176.94 1k5a h ASN 59 N 1.31 0.00 -1.00 0.83 -0.26 -1.80 -2.19 115.58 112.47 1k5a h ASN 59 Ca -0.43 0.00 0.23 0.00 -0.56 0.00 0.00 56.30 55.54 1k5a h ASN 59 Cb 1.32 0.00 -0.12 0.00 -1.06 0.00 0.00 38.32 38.46 1k5a h ASN 59 CO 0.71 0.00 0.59 0.50 -1.06 0.00 0.00 177.43 178.18 1k5a h LYS 60 N 0.00 0.60 0.00 0.81 3.64 -1.93 -3.27 116.57 116.42 1k5a h LYS 60 Ca 0.00 -0.04 -0.08 0.00 -1.27 0.00 0.00 60.65 59.26 1k5a h LYS 60 Cb 0.66 -0.14 -0.15 0.00 -0.41 0.00 0.00 32.23 32.19 1k5a h LYS 60 CO 0.00 0.40 -0.60 -1.71 -2.27 0.00 0.00 179.45 175.27 1k5a n ASN 61 N -4.86 0.23 -3.53 4.20 5.15 -0.92 -5.02 115.26 110.50 1k5a n ASN 61 Ca 0.26 -1.86 -0.12 0.00 -0.60 0.00 0.00 54.58 52.26 1k5a n ASN 61 Cb 0.70 -0.15 -0.04 0.00 -0.53 0.00 0.00 39.78 39.77 1k5a n ASN 61 CO 0.00 0.00 0.00 -0.83 1.40 0.00 0.00 177.26 177.83 1k5a s GLY 62 N -1.22 -0.45 0.09 8.20 0.00 -0.83 -1.52 107.32 111.59 1k5a s GLY 62 Ca 0.12 0.33 0.03 0.00 0.00 0.00 0.00 44.72 45.20 1k5a s GLY 62 CO -0.06 0.03 -0.10 -1.31 0.00 0.00 0.00 173.10 171.67 1k5a s ASN 63 N -2.57 1.37 0.26 1.64 0.02 0.07 -4.20 114.94 111.53 1k5a s ASN 63 Ca 0.00 -0.81 -0.30 0.00 -1.02 0.00 0.00 52.86 50.73 1k5a s ASN 63 Cb 0.00 0.02 -0.10 0.00 0.02 0.00 0.00 41.25 41.19 1k5a s ASN 63 CO -0.10 -0.28 1.50 -2.84 0.02 0.00 0.00 177.10 175.40 1k5a s PRO 64 N -2.80 4.22 0.03 -0.60 0.02 -1.26 0.13 135.00 134.73 1k5a s PRO 64 Ca 0.05 2.39 -0.01 0.00 0.02 0.00 0.00 61.00 63.45 1k5a s PRO 64 Cb -0.03 -3.09 -0.02 0.00 0.02 0.00 0.00 34.50 31.39 1k5a s PRO 64 CO -0.00 -0.50 -0.01 -1.58 -0.33 0.00 0.00 177.00 174.57 1k5a s HIS 65 N 0.06 0.29 0.00 6.54 2.46 -0.70 -4.73 115.29 119.21 1k5a s HIS 65 Ca 0.61 -0.60 0.00 0.00 0.47 0.00 0.00 55.06 55.54 1k5a s HIS 65 Cb -0.44 -0.22 0.00 0.00 -0.13 0.00 0.00 32.58 31.80 1k5a s HIS 65 CO 0.44 -0.24 0.00 0.54 -2.47 0.00 0.00 174.74 173.01 1k5a n ARG 66 N 1.29 0.00 0.00 2.88 5.12 -1.26 -2.21 116.66 122.47 1k5a n ARG 66 Ca -0.22 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 55.70 1k5a n ARG 66 Cb 0.56 0.00 0.00 0.00 -1.16 0.00 0.00 32.46 31.86 1k5a n ARG 66 CO 0.00 0.00 0.00 -1.91 -1.93 0.00 0.00 177.63 173.79 1k5a n GLU 67 N 14.00 0.00 -0.40 5.56 4.07 -1.26 -4.80 120.64 137.82 1k5a n GLU 67 Ca 0.00 0.00 0.08 0.00 -0.06 0.00 0.00 57.16 57.18 1k5a n GLU 67 Cb 0.00 -0.36 0.23 0.00 -0.06 0.00 0.00 31.44 31.25 1k5a n GLU 67 CO 0.00 0.00 0.00 0.27 -0.06 0.00 0.00 177.13 177.34 1k5a n ASN 68 N -2.34 3.41 -4.97 4.31 0.23 -1.26 -5.00 115.26 109.64 1k5a n ASN 68 Ca 0.00 -3.11 -0.18 0.00 -0.53 0.00 0.00 54.58 50.76 1k5a n ASN 68 Cb 0.00 -0.53 -0.00 0.00 -2.08 0.00 0.00 39.78 37.17 1k5a n ASN 68 CO 0.00 0.00 0.00 -0.76 -0.93 0.00 0.00 177.26 175.57 1k5a s LEU 69 N -2.89 3.59 0.03 -4.53 1.02 -0.94 -4.56 118.68 110.40 1k5a s LEU 69 Ca 0.40 -0.51 0.01 0.00 0.02 0.00 0.00 54.13 54.05 1k5a s LEU 69 Cb 0.33 -2.49 -0.02 0.00 0.02 0.00 0.00 46.19 44.03 1k5a s LEU 69 CO 0.07 -0.73 -0.05 -0.13 0.02 0.00 0.00 176.35 175.52 1k5a s ARG 70 N -4.29 0.40 -0.04 1.70 1.81 0.44 -1.72 118.95 117.24 1k5a s ARG 70 Ca 0.53 -0.66 0.05 0.00 -1.72 0.00 0.00 55.73 53.93 1k5a s ARG 70 Cb -0.08 -0.08 -0.01 0.00 -0.45 0.00 0.00 34.95 34.34 1k5a s ARG 70 CO 0.32 -0.00 -0.19 -1.50 -0.68 0.00 0.00 175.30 173.24 1k5a s ILE 71 N -1.38 1.59 0.42 1.52 2.07 0.12 -1.43 121.20 124.10 1k5a s ILE 71 Ca -0.13 -0.81 -0.26 0.00 -1.41 0.00 0.00 60.65 58.04 1k5a s ILE 71 Cb -0.10 -1.36 -0.09 0.00 0.13 0.00 0.00 42.46 41.05 1k5a s ILE 71 CO -0.00 0.45 1.36 -0.94 -1.91 0.00 0.00 174.94 173.90 1k5a s SER 72 N -0.05 6.16 0.13 4.50 1.04 0.55 -0.75 113.70 125.29 1k5a s SER 72 Ca -0.03 2.78 0.05 0.00 0.48 0.00 0.00 55.95 59.23 1k5a s SER 72 Cb -0.12 -2.65 -0.14 0.00 0.10 0.00 0.00 66.02 63.21 1k5a s SER 72 CO 0.02 -0.97 1.30 0.11 0.98 0.00 0.00 173.24 174.69 1k5a h LYS 73 N 2.58 0.07 -6.31 4.02 1.57 -1.61 -3.43 116.57 113.46 1k5a h LYS 73 Ca -0.50 -0.11 -0.45 0.00 -1.87 0.00 0.00 60.65 57.72 1k5a h LYS 73 Cb 1.25 0.04 -0.00 0.00 0.08 0.00 0.00 32.23 33.60 1k5a h LYS 73 CO 0.62 1.00 -0.34 -1.54 -0.57 0.00 0.00 179.45 178.61 1k5a s SER 74 N -6.82 5.71 -0.01 0.86 1.04 -1.26 -5.03 113.70 108.18 1k5a s SER 74 Ca -0.01 -0.34 -0.02 0.00 0.48 0.00 0.00 55.95 56.07 1k5a s SER 74 Cb 0.10 -1.00 -0.04 0.00 0.10 0.00 0.00 66.02 65.18 1k5a s SER 74 CO 0.83 -0.51 0.13 -0.44 0.98 0.00 0.00 173.24 174.23 1k5a s SER 75 N -4.18 6.02 0.22 7.02 0.01 -1.26 -4.24 113.70 117.28 1k5a s SER 75 Ca 0.47 0.25 0.10 0.00 1.31 0.00 0.00 55.95 58.07 1k5a s SER 75 Cb -0.08 -1.81 -0.04 0.00 0.21 0.00 0.00 66.02 64.29 1k5a s SER 75 CO 0.30 0.27 -0.12 -0.36 0.41 0.00 0.00 173.24 173.74 1k5a s PHE 76 N -1.26 2.53 -0.17 2.43 0.08 0.94 -4.77 117.98 117.76 1k5a s PHE 76 Ca 0.25 -0.26 -0.26 0.00 0.12 0.00 0.00 56.93 56.77 1k5a s PHE 76 Cb -0.12 -1.19 -0.01 0.00 -0.57 0.00 0.00 43.02 41.12 1k5a s PHE 76 CO 0.16 0.57 0.88 -0.65 -0.10 0.00 0.00 175.22 176.08 1k5a s GLN 77 N -3.09 4.30 0.16 0.44 -1.52 -1.26 -0.53 119.66 118.16 1k5a s GLN 77 Ca 0.26 1.10 0.04 0.00 -1.95 0.00 0.00 55.36 54.81 1k5a s GLN 77 Cb -0.07 -3.58 -0.05 0.00 -0.22 0.00 0.00 33.01 29.09 1k5a s GLN 77 CO 0.15 -0.38 -0.07 0.14 -0.25 0.00 0.00 175.29 174.88 1k5a s VAL 78 N 2.31 1.07 -0.09 1.09 -7.23 -0.79 -2.10 120.40 114.67 1k5a s VAL 78 Ca 0.40 -2.04 -0.03 0.00 -1.81 0.00 0.00 61.98 58.50 1k5a s VAL 78 Cb -0.16 -1.94 0.04 0.00 0.56 0.00 0.00 36.38 34.87 1k5a s VAL 78 CO 0.12 -0.66 0.06 -0.89 -0.31 0.00 0.00 175.10 173.41 1k5a s THR 79 N -3.39 0.00 -0.13 5.32 2.01 -0.78 -0.37 115.64 118.30 1k5a s THR 79 Ca 0.19 0.18 -0.06 0.00 0.31 0.00 0.00 61.69 62.30 1k5a s THR 79 Cb 0.04 -0.36 -0.04 0.00 0.01 0.00 0.00 72.50 72.14 1k5a s THR 79 CO 0.02 0.05 0.11 -0.89 -0.69 0.00 0.00 174.62 173.22 1k5a s THR 80 N 2.12 5.26 -0.27 -0.82 2.01 -0.83 -1.21 115.64 121.90 1k5a s THR 80 Ca 0.04 0.12 -0.04 0.00 0.31 0.00 0.00 61.69 62.12 1k5a s THR 80 Cb -0.13 -3.30 0.02 0.00 0.01 0.00 0.00 72.50 69.10 1k5a s THR 80 CO -0.05 0.59 0.01 0.00 -0.69 0.00 0.00 174.62 174.47 1k5a s LYS 82 N 1.39 3.77 0.11 0.00 3.01 -0.24 -1.80 119.74 125.98 1k5a s LYS 82 Ca 0.01 -0.44 -0.32 0.00 -1.01 0.00 0.00 55.97 54.21 1k5a s LYS 82 Cb -0.17 -3.21 -0.11 0.00 -1.01 0.00 0.00 37.83 33.33 1k5a s LYS 82 CO -0.01 0.05 1.82 -0.11 0.51 0.00 0.00 175.35 177.61 1k5a n LEU 83 N 4.19 3.94 -4.57 3.17 7.94 0.25 -0.42 117.00 131.50 1k5a n LEU 83 Ca -0.16 0.99 -0.39 0.00 -1.11 0.00 0.00 56.01 55.34 1k5a n LEU 83 Cb 0.52 -1.53 -0.11 0.00 0.53 0.00 0.00 43.42 42.83 1k5a n LEU 83 CO 0.33 0.13 -0.16 -2.28 -1.11 0.00 0.00 177.39 174.30 1k5a s HIS 84 N 2.69 3.22 0.00 1.96 5.65 0.12 -4.89 115.29 124.05 1k5a s HIS 84 Ca 0.82 0.04 0.00 0.00 0.25 0.00 0.00 55.06 56.17 1k5a s HIS 84 Cb -0.51 -2.40 0.00 0.00 -1.18 0.00 0.00 32.58 28.49 1k5a s HIS 84 CO 0.38 -0.21 0.00 0.41 -0.65 0.00 0.00 174.74 174.67 1k5a n GLY 85 N 5.07 -0.91 0.55 1.59 0.00 -1.26 -4.56 105.19 105.67 1k5a n GLY 85 Ca -0.14 -2.09 -0.14 0.00 0.00 0.00 0.00 46.02 43.65 1k5a n GLY 85 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1k5a n GLY 86 N 0.00 -0.24 3.53 -0.02 0.00 -1.26 -5.04 105.19 102.17 1k5a n GLY 86 Ca 0.00 -0.09 -0.58 0.00 0.00 0.00 0.00 46.02 45.36 1k5a n GLY 86 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1k5a n SER 87 N -3.69 0.47 -0.13 1.61 2.88 -1.26 -4.87 113.62 108.63 1k5a n SER 87 Ca -0.26 1.15 0.14 0.00 -1.33 0.00 0.00 58.87 58.57 1k5a n SER 87 Cb 0.65 -0.99 0.52 0.00 -0.75 0.00 0.00 64.21 63.64 1k5a n SER 87 CO 0.00 0.00 0.00 -0.81 -1.23 0.00 0.00 175.04 173.00 1k5a n PRO 88 N 1.89 0.62 -4.36 -1.46 -0.05 -1.26 -4.90 135.00 125.48 1k5a n PRO 88 Ca 0.20 -0.27 -0.26 0.00 -0.05 0.00 0.00 63.50 63.13 1k5a n PRO 88 Cb 0.10 -1.49 -0.10 0.00 -0.05 0.00 0.00 33.50 31.96 1k5a n PRO 88 CO 0.00 0.00 0.00 -1.58 -0.05 0.00 0.00 175.50 173.87 1k5a s TRP 89 N -2.56 2.48 0.51 0.54 0.52 -1.26 -1.10 118.94 118.08 1k5a s TRP 89 Ca 0.25 -0.28 -0.22 0.00 0.02 0.00 0.00 56.10 55.87 1k5a s TRP 89 Cb 0.20 -1.18 -0.07 0.00 -1.15 0.00 0.00 33.47 31.26 1k5a s TRP 89 CO 0.51 0.55 1.18 -2.30 0.02 0.00 0.00 176.95 176.92 1k5a n PRO 90 N -0.10 1.49 -2.12 4.98 -0.02 -1.26 -4.32 135.00 133.64 1k5a n PRO 90 Ca -0.10 0.55 -0.42 0.00 -2.02 0.00 0.00 63.50 61.51 1k5a n PRO 90 Cb 0.57 -2.35 -0.03 0.00 -0.02 0.00 0.00 33.50 31.67 1k5a n PRO 90 CO 0.00 0.00 0.00 -2.14 1.98 0.00 0.00 175.50 175.34 1k5a s PRO 91 N -2.56 4.30 -0.43 0.52 0.02 -1.26 -5.14 135.00 130.45 1k5a s PRO 91 Ca 0.69 2.14 -0.20 0.00 0.02 0.00 0.00 61.00 63.65 1k5a s PRO 91 Cb -0.46 -3.22 0.02 0.00 0.02 0.00 0.00 34.50 30.86 1k5a s PRO 91 CO 0.52 -0.47 0.59 0.00 -0.33 0.00 0.00 177.00 177.31 1k5a s GLN 93 N 2.63 3.93 0.13 0.00 -0.21 -1.26 -4.80 119.66 120.08 1k5a s GLN 93 Ca 0.20 -0.10 0.08 0.00 0.02 0.00 0.00 55.36 55.55 1k5a s GLN 93 Cb -0.15 -3.33 -0.04 0.00 1.00 0.00 0.00 33.01 30.49 1k5a s GLN 93 CO 0.17 0.48 -0.18 0.71 -2.12 0.00 0.00 175.29 174.35 1k5a s TYR 94 N -0.18 1.72 -0.14 0.91 2.02 -1.26 0.14 117.35 120.56 1k5a s TYR 94 Ca 0.13 -0.46 -0.00 0.00 -0.37 0.00 0.00 57.07 56.36 1k5a s TYR 94 Cb -0.12 -0.90 -0.01 0.00 -0.40 0.00 0.00 41.96 40.53 1k5a s TYR 94 CO 0.02 0.24 -0.13 1.03 -1.57 0.00 0.00 175.55 175.15 1k5a s ARG 95 N -2.40 3.37 0.08 -0.62 0.52 0.44 -4.68 118.95 115.66 1k5a s ARG 95 Ca 0.10 -0.69 -0.03 0.00 -0.52 0.00 0.00 55.73 54.60 1k5a s ARG 95 Cb -0.07 -2.66 -0.05 0.00 0.52 0.00 0.00 34.95 32.69 1k5a s ARG 95 CO 0.05 0.16 0.29 0.00 0.02 0.00 0.00 175.30 175.82 1k5a s ALA 96 N 0.49 3.89 -0.17 2.13 0.00 -1.26 -1.08 121.76 125.75 1k5a s ALA 96 Ca -0.09 -0.68 -0.04 0.00 0.00 0.00 0.00 51.96 51.16 1k5a s ALA 96 Cb -0.16 -2.00 0.06 0.00 0.00 0.00 0.00 23.12 21.02 1k5a s ALA 96 CO 0.04 0.73 0.06 0.99 0.00 0.00 0.00 175.76 177.58 1k5a s THR 97 N -1.53 0.20 -0.62 0.00 2.01 -0.86 -4.82 115.64 110.02 1k5a s THR 97 Ca 0.36 -0.29 -0.21 0.00 0.31 0.00 0.00 61.69 61.86 1k5a s THR 97 Cb -0.13 -0.75 0.08 0.00 0.01 0.00 0.00 72.50 71.72 1k5a s THR 97 CO 0.24 -0.20 0.86 0.00 -0.69 0.00 0.00 174.62 174.83 1k5a s ALA 98 N 2.01 3.23 0.00 7.40 0.00 -1.26 -1.96 121.76 131.18 1k5a s ALA 98 Ca 0.01 -1.94 0.00 0.00 0.00 0.00 0.00 51.96 50.03 1k5a s ALA 98 Cb -0.16 -3.72 0.00 0.00 0.00 0.00 0.00 23.12 19.24 1k5a s ALA 98 CO -0.08 -2.57 0.00 0.41 0.00 0.00 0.00 175.76 173.52 1k5a n GLY 99 N 5.29 3.28 3.29 0.00 0.00 0.50 -4.96 105.19 112.59 1k5a n GLY 99 Ca -0.06 -2.11 0.03 0.00 0.00 0.00 0.00 46.02 43.88 1k5a n GLY 99 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1k5a s PHE 100 N 0.87 -1.37 -0.07 1.61 5.36 -1.25 -1.88 117.98 121.24 1k5a s PHE 100 Ca 0.00 1.71 -0.30 0.00 -0.96 0.00 0.00 56.93 57.38 1k5a s PHE 100 Cb 0.00 0.58 0.10 0.00 -0.34 0.00 0.00 43.02 43.35 1k5a s PHE 100 CO 0.00 -0.73 1.35 -0.98 -1.46 0.00 0.00 175.22 173.40 1k5a s ARG 101 N 2.85 0.12 0.45 10.12 1.70 0.31 -4.83 118.95 129.67 1k5a s ARG 101 Ca 0.10 -0.08 -0.23 0.00 -0.47 0.00 0.00 55.73 55.05 1k5a s ARG 101 Cb -0.13 0.03 -0.08 0.00 -0.57 0.00 0.00 34.95 34.21 1k5a s ARG 101 CO -0.19 -0.06 1.14 -0.80 -1.08 0.00 0.00 175.30 174.31 1k5a s ASN 102 N -3.94 6.28 0.13 -2.89 -0.87 -1.26 -0.04 114.94 112.34 1k5a s ASN 102 Ca 0.32 2.26 0.08 0.00 -1.57 0.00 0.00 52.86 53.94 1k5a s ASN 102 Cb -0.00 -2.60 -0.04 0.00 -0.02 0.00 0.00 41.25 38.59 1k5a s ASN 102 CO -0.02 -0.84 -0.10 0.68 -2.57 0.00 0.00 177.10 174.25 1k5a s VAL 103 N -1.57 3.29 -0.19 1.60 -7.23 -1.26 -4.88 120.40 110.17 1k5a s VAL 103 Ca 0.63 -1.40 -0.02 0.00 -1.81 0.00 0.00 61.98 59.37 1k5a s VAL 103 Cb -0.27 -2.57 -0.01 0.00 0.56 0.00 0.00 36.38 34.09 1k5a s VAL 103 CO 0.33 0.04 -0.08 -0.69 -0.31 0.00 0.00 175.10 174.40 1k5a s VAL 104 N -1.36 3.22 0.18 1.32 1.01 -1.26 -0.33 120.40 123.18 1k5a s VAL 104 Ca 0.22 -0.56 0.00 0.00 0.00 0.00 0.00 61.98 61.64 1k5a s VAL 104 Cb -0.10 -2.43 -0.04 0.00 0.00 0.00 0.00 36.38 33.81 1k5a s VAL 104 CO 0.14 0.47 0.06 0.68 0.00 0.00 0.00 175.10 176.45 1k5a s VAL 105 N 1.07 0.32 -0.10 2.92 -7.23 -0.52 -0.78 120.40 116.08 1k5a s VAL 105 Ca 0.00 -1.96 -0.02 0.00 -1.81 0.00 0.00 61.98 58.20 1k5a s VAL 105 Cb -0.15 -2.25 -0.03 0.00 0.56 0.00 0.00 36.38 34.52 1k5a s VAL 105 CO -0.01 -0.31 -0.02 0.00 -0.31 0.00 0.00 175.10 174.45 1k5a s ALA 106 N -3.91 3.14 0.07 1.32 0.00 -0.17 -0.42 121.76 121.78 1k5a s ALA 106 Ca 0.29 -0.83 0.06 0.00 0.00 0.00 0.00 51.96 51.48 1k5a s ALA 106 Cb 0.07 -1.45 -0.04 0.00 0.00 0.00 0.00 23.12 21.70 1k5a s ALA 106 CO 0.06 0.48 -0.09 0.00 0.00 0.00 0.00 175.76 176.21 1k5a s GLU 108 N -1.93 0.08 -0.97 0.00 2.12 0.39 -4.83 118.70 113.56 1k5a s GLU 108 Ca 0.20 0.17 -0.07 0.00 0.36 0.00 0.00 54.97 55.63 1k5a s GLU 108 Cb -0.11 -0.36 0.06 0.00 0.26 0.00 0.00 34.13 33.97 1k5a s GLU 108 CO 0.11 -0.17 0.28 0.09 -0.54 0.00 0.00 175.26 175.03 1k5a n ASN 109 N 4.29 -2.80 0.00 -1.70 3.02 -1.26 -0.91 115.26 115.90 1k5a n ASN 109 Ca -0.25 -0.15 0.00 0.00 -0.03 0.00 0.00 54.58 54.15 1k5a n ASN 109 Cb 0.50 -2.39 0.00 0.00 -0.61 0.00 0.00 39.78 37.28 1k5a n ASN 109 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1k5a n GLY 110 N -0.91 0.76 3.04 7.41 0.00 -1.26 -5.07 105.19 109.16 1k5a n GLY 110 Ca -0.02 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.84 1k5a n GLY 110 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1k5a s LEU 111 N 0.00 2.14 0.09 0.99 1.43 -0.08 -4.85 118.68 118.39 1k5a s LEU 111 Ca 0.00 -0.35 -0.31 0.00 -1.03 0.00 0.00 54.13 52.45 1k5a s LEU 111 Cb 0.00 -0.31 -0.08 0.00 0.03 0.00 0.00 46.19 45.82 1k5a s LEU 111 CO 0.00 -0.04 1.55 -2.16 0.23 0.00 0.00 176.35 175.93 1k5a s PRO 112 N -0.88 4.23 0.00 1.29 0.04 -1.26 -0.46 135.00 137.96 1k5a s PRO 112 Ca -0.02 2.24 0.00 0.00 0.04 0.00 0.00 61.00 63.26 1k5a s PRO 112 Cb -0.06 -3.43 0.00 0.00 0.04 0.00 0.00 34.50 31.05 1k5a s PRO 112 CO 0.00 -0.63 0.57 1.33 0.04 0.00 0.00 177.00 178.31 1k5a n VAL 113 N 4.41 0.24 -3.64 -0.36 0.24 0.21 -4.31 118.33 115.12 1k5a n VAL 113 Ca 0.14 -0.55 -0.09 0.00 -2.04 0.00 0.00 64.34 61.81 1k5a n VAL 113 Cb 0.41 0.99 -0.07 0.00 -1.47 0.00 0.00 33.84 33.69 1k5a n VAL 113 CO 0.00 0.00 0.00 -2.28 -2.14 0.00 0.00 176.83 172.41 1k5a s HIS 114 N -0.24 -0.88 -0.33 6.34 5.65 -1.16 -4.79 115.29 119.88 1k5a s HIS 114 Ca 0.00 1.89 -0.09 0.00 0.25 0.00 0.00 55.06 57.11 1k5a s HIS 114 Cb 0.00 0.46 0.01 0.00 -1.18 0.00 0.00 32.58 31.87 1k5a s HIS 114 CO 0.00 -0.43 0.15 -1.17 -0.65 0.00 0.00 174.74 172.64 1k5a s LEU 115 N 1.08 4.23 -0.65 8.88 0.20 -1.26 -1.00 118.68 130.16 1k5a s LEU 115 Ca -0.06 -0.71 -0.27 0.00 0.69 0.00 0.00 54.13 53.79 1k5a s LEU 115 Cb -0.05 -1.98 -0.01 0.00 -0.43 0.00 0.00 46.19 43.72 1k5a s LEU 115 CO -0.11 -0.25 1.69 -0.62 -0.29 0.00 0.00 176.35 176.77 1k5a s ASP 116 N 1.57 5.53 -0.02 3.68 -1.08 0.04 -4.78 116.67 121.61 1k5a s ASP 116 Ca 0.03 0.12 0.03 0.00 -0.52 0.00 0.00 52.55 52.22 1k5a s ASP 116 Cb -0.18 -2.54 0.13 0.00 -1.46 0.00 0.00 42.92 38.88 1k5a s ASP 116 CO 0.06 -2.21 0.93 0.00 0.52 0.00 0.00 175.17 174.46 1k5a n GLN 117 N 9.23 1.49 0.26 4.34 6.02 -1.26 -3.89 117.38 133.58 1k5a n GLN 117 Ca 0.15 -0.53 0.14 0.00 -0.01 0.00 0.00 57.00 56.76 1k5a n GLN 117 Cb 0.51 -1.35 0.69 0.00 1.02 0.00 0.00 30.24 31.11 1k5a n GLN 117 CO 0.00 0.00 0.00 0.66 -1.01 0.00 0.00 177.06 176.71 1k5a h SER 118 N 0.76 0.00 -1.60 1.08 4.64 -1.96 -2.72 113.55 113.74 1k5a h SER 118 Ca 0.00 0.00 -0.72 0.00 -0.47 0.00 0.00 61.79 60.60 1k5a h SER 118 Cb 0.45 0.00 -0.29 0.00 -0.31 0.00 0.00 62.40 62.25 1k5a h SER 118 CO 0.04 0.11 0.83 0.00 -0.87 0.00 0.00 176.83 176.94 1k5a n ALA 119 N -2.19 6.33 -1.80 5.18 0.00 -1.25 -5.25 120.51 121.52 1k5a n ALA 119 Ca -0.01 -3.92 0.00 0.00 0.00 0.00 0.00 53.44 49.52 1k5a n ALA 119 Cb 0.29 -1.78 0.00 0.00 0.00 0.00 0.00 19.45 17.97 1k5a n ALA 119 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50