#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1k5g h HIS 23 N 0.00 -1.47 -1.33 1.20 6.17 -2.13 -3.40 115.15 114.19 1k5g h HIS 23 Ca 0.00 0.03 -0.21 0.00 0.71 0.00 0.00 60.37 60.90 1k5g h HIS 23 Cb 0.00 0.61 -0.22 0.00 2.52 0.00 0.00 27.41 30.32 1k5g h HIS 23 CO 0.00 -0.60 -0.57 0.34 0.71 0.00 0.00 177.93 177.81 1k5g s ASP 24 N -4.52 -0.66 0.15 3.26 2.15 -1.26 -5.14 116.67 110.65 1k5g s ASP 24 Ca -0.16 -1.57 -0.33 0.00 0.43 0.00 0.00 52.55 50.92 1k5g s ASP 24 Cb 0.05 1.41 -0.17 0.00 -0.30 0.00 0.00 42.92 43.91 1k5g s ASP 24 CO 0.59 -0.14 1.04 -2.65 -0.17 0.00 0.00 175.17 173.84 1k5g n PRO 25 N 3.63 0.78 -4.43 4.34 -0.02 -1.26 -4.96 135.00 133.09 1k5g n PRO 25 Ca 0.16 0.28 -0.34 0.00 -2.02 0.00 0.00 63.50 61.58 1k5g n PRO 25 Cb 0.53 -1.69 -0.12 0.00 -0.02 0.00 0.00 33.50 32.20 1k5g n PRO 25 CO 0.00 0.00 0.00 -1.14 1.98 0.00 0.00 175.50 176.34 1k5g s GLN 26 N -0.45 3.62 -0.01 -0.52 2.00 -1.26 -5.10 119.66 117.94 1k5g s GLN 26 Ca 0.74 -0.55 0.02 0.00 -2.00 0.00 0.00 55.36 53.58 1k5g s GLN 26 Cb -0.93 -2.88 -0.00 0.00 0.80 0.00 0.00 33.01 29.99 1k5g s GLN 26 CO 0.54 0.21 -0.07 -0.06 -0.50 0.00 0.00 175.29 175.41 1k5g s PHE 27 N 0.42 0.66 -0.34 1.67 0.40 -1.26 -5.11 117.98 114.43 1k5g s PHE 27 Ca -0.05 -0.13 -0.26 0.00 -0.60 0.00 0.00 56.93 55.89 1k5g s PHE 27 Cb -0.14 -0.45 0.01 0.00 0.51 0.00 0.00 43.02 42.95 1k5g s PHE 27 CO 0.03 -0.03 0.93 -1.83 0.70 0.00 0.00 175.22 175.02 1k5g s GLU 28 N -0.03 3.94 0.07 0.44 -1.05 -1.26 -4.96 118.70 115.85 1k5g s GLU 28 Ca 0.01 0.73 -0.10 0.00 -0.15 0.00 0.00 54.97 55.45 1k5g s GLU 28 Cb -0.04 -3.76 -0.06 0.00 -0.44 0.00 0.00 34.13 29.82 1k5g s GLU 28 CO -0.00 -0.86 0.20 -2.30 0.95 0.00 0.00 175.26 173.25 1k5g n PRO 29 N 6.65 0.00 0.03 -4.83 -0.02 -1.26 -4.93 135.00 130.64 1k5g n PRO 29 Ca 0.08 0.00 -0.03 0.00 -2.02 0.00 0.00 63.50 61.53 1k5g n PRO 29 Cb 0.48 -0.38 -0.09 0.00 -0.02 0.00 0.00 33.50 33.49 1k5g n PRO 29 CO 0.00 0.00 0.00 0.82 1.98 0.00 0.00 175.50 178.30 1k5g h ILE 30 N 0.42 0.72 -4.36 4.25 2.04 -2.08 -3.48 117.51 115.02 1k5g h ILE 30 Ca -0.11 -2.32 -0.18 0.00 1.00 0.00 0.00 64.86 63.26 1k5g h ILE 30 Cb 0.52 2.24 -0.15 0.00 -0.74 0.00 0.00 36.82 38.69 1k5g h ILE 30 CO 0.21 0.41 -0.59 0.68 0.00 0.00 0.00 178.15 178.85 1k5g s VAL 31 N -2.82 0.09 -0.29 1.67 -7.23 -1.26 -5.13 120.40 105.43 1k5g s VAL 31 Ca -0.03 -1.84 0.03 0.00 -1.81 0.00 0.00 61.98 58.34 1k5g s VAL 31 Cb 0.08 -2.06 0.08 0.00 0.56 0.00 0.00 36.38 35.04 1k5g s VAL 31 CO 0.81 -0.39 -0.04 -0.55 -0.31 0.00 0.00 175.10 174.61 1k5g s SER 32 N -3.05 4.53 -0.21 4.85 0.15 -1.26 -5.09 113.70 113.62 1k5g s SER 32 Ca 0.25 -1.68 -0.02 0.00 0.70 0.00 0.00 55.95 55.20 1k5g s SER 32 Cb 0.07 -1.55 0.01 0.00 -1.71 0.00 0.00 66.02 62.84 1k5g s SER 32 CO 0.03 -0.27 -0.10 -0.76 1.20 0.00 0.00 173.24 173.34 1k5g s LEU 33 N 1.05 2.71 0.45 3.45 1.43 -1.26 -5.10 118.68 121.40 1k5g s LEU 33 Ca -0.01 -0.60 -0.25 0.00 -1.03 0.00 0.00 54.13 52.23 1k5g s LEU 33 Cb -0.20 -1.63 -0.09 0.00 0.03 0.00 0.00 46.19 44.31 1k5g s LEU 33 CO -0.06 -0.04 1.43 -2.65 0.23 0.00 0.00 176.35 175.26 1k5g n PRO 34 N 4.70 2.27 -1.39 1.29 -0.02 -1.26 -4.96 135.00 135.64 1k5g n PRO 34 Ca -0.19 0.81 -0.36 0.00 -2.02 0.00 0.00 63.50 61.74 1k5g n PRO 34 Cb 0.50 -2.63 0.07 0.00 -0.02 0.00 0.00 33.50 31.42 1k5g n PRO 34 CO 0.00 0.00 0.00 -1.91 1.98 0.00 0.00 175.50 175.57 1k5g n GLU 35 N -0.16 0.52 -3.73 -0.52 4.07 -1.26 -5.00 120.64 114.57 1k5g n GLU 35 Ca 0.05 0.22 -0.14 0.00 -0.06 0.00 0.00 57.16 57.24 1k5g n GLU 35 Cb 0.41 -2.07 -0.09 0.00 -0.06 0.00 0.00 31.44 29.64 1k5g n GLU 35 CO 0.00 0.00 0.00 -1.14 -0.06 0.00 0.00 177.13 175.93 1k5g s GLN 36 N -2.98 0.68 -0.43 5.31 0.74 -1.26 -5.12 119.66 116.60 1k5g s GLN 36 Ca 0.71 -0.03 -0.17 0.00 0.05 0.00 0.00 55.36 55.93 1k5g s GLN 36 Cb -0.37 0.31 0.03 0.00 1.10 0.00 0.00 33.01 34.08 1k5g s GLN 36 CO 0.52 -0.18 0.40 -1.21 -0.55 0.00 0.00 175.29 174.27 1k5g s GLU 37 N -1.07 3.05 -0.25 1.67 2.02 -1.26 -5.04 118.70 117.81 1k5g s GLU 37 Ca -0.11 -0.89 -0.16 0.00 0.02 0.00 0.00 54.97 53.84 1k5g s GLU 37 Cb -0.04 -3.99 -0.04 0.00 0.10 0.00 0.00 34.13 30.16 1k5g s GLU 37 CO 0.04 -0.85 0.41 0.96 0.02 0.00 0.00 175.26 175.84 1k5g s ILE 38 N 1.99 5.16 0.69 -1.63 -5.25 -1.26 -5.07 121.20 115.83 1k5g s ILE 38 Ca 0.10 0.66 -0.08 0.00 -0.99 0.00 0.00 60.65 60.34 1k5g s ILE 38 Cb -0.18 -3.73 0.05 0.00 2.95 0.00 0.00 42.46 41.55 1k5g s ILE 38 CO 0.12 0.17 1.02 -0.54 -1.79 0.00 0.00 174.94 173.92 1k5g s LYS 39 N 1.93 2.37 -0.00 0.37 -0.14 -1.26 -5.02 119.74 117.99 1k5g s LYS 39 Ca 0.17 -0.10 0.08 0.00 -1.36 0.00 0.00 55.97 54.77 1k5g s LYS 39 Cb -0.15 -2.15 -0.10 0.00 -1.68 0.00 0.00 37.83 33.75 1k5g s LYS 39 CO 0.09 -1.16 0.29 2.41 -0.76 0.00 0.00 175.35 176.23 1k5g n THR 40 N -2.91 0.00 -2.16 2.17 -1.04 -1.26 -4.95 114.28 104.12 1k5g n THR 40 Ca 0.07 -0.27 -0.20 0.00 -2.04 0.00 0.00 64.05 61.61 1k5g n THR 40 Cb 0.60 0.79 -0.03 0.00 -1.82 0.00 0.00 70.33 69.86 1k5g n THR 40 CO 0.00 0.00 0.00 0.18 -0.64 0.00 0.00 175.07 174.61 1k5g n LEU 41 N -1.37 -1.77 -0.09 -4.42 4.32 -1.26 -4.76 117.00 107.66 1k5g n LEU 41 Ca 0.01 0.15 0.02 0.00 -0.02 0.00 0.00 56.01 56.17 1k5g n LEU 41 Cb 0.15 -2.86 0.03 0.00 -1.62 0.00 0.00 43.42 39.12 1k5g n LEU 41 CO 0.17 -0.47 0.41 1.21 -1.22 0.00 0.00 177.39 177.50 1k5g n GLU 42 N -2.80 1.43 0.02 3.23 2.13 -1.26 -4.80 120.64 118.57 1k5g n GLU 42 Ca -0.23 -1.40 -0.18 0.00 0.66 0.00 0.00 57.16 56.01 1k5g n GLU 42 Cb 0.68 -0.91 -0.08 0.00 0.27 0.00 0.00 31.44 31.40 1k5g n GLU 42 CO 0.00 0.00 0.00 0.93 -0.41 0.00 0.00 177.13 177.65 1k5g h GLU 43 N 0.00 0.71 -1.05 5.31 3.07 -2.00 -3.03 114.58 117.59 1k5g h GLU 43 Ca 0.00 -0.67 -0.14 0.00 -0.50 0.00 0.00 59.36 58.05 1k5g h GLU 43 Cb 0.87 0.17 -0.08 0.00 -0.84 0.00 0.00 28.75 28.86 1k5g h GLU 43 CO 0.00 1.26 0.18 -0.25 -1.40 0.00 0.00 179.01 178.80 1k5g n ASP 44 N -3.88 3.39 0.00 1.42 8.00 -1.26 -4.81 116.55 119.41 1k5g n ASP 44 Ca -0.09 -2.45 0.00 0.00 0.71 0.00 0.00 54.79 52.96 1k5g n ASP 44 Cb 0.81 -0.62 0.00 0.00 -0.02 0.00 0.00 41.12 41.29 1k5g n ASP 44 CO 0.00 0.00 0.00 -1.84 -0.39 0.00 0.00 177.20 174.97 1k5g n GLU 45 N 0.12 0.00 0.00 -1.24 0.28 -1.14 -3.17 120.64 115.49 1k5g n GLU 45 Ca 0.16 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 57.16 1k5g n GLU 45 Cb 0.79 0.00 0.00 0.00 1.43 0.00 0.00 31.44 33.66 1k5g n GLU 45 CO 0.00 0.00 0.00 0.39 -0.16 0.00 0.00 177.13 177.36 1k5g n GLU 46 N 0.00 0.00 -2.95 3.44 -0.58 -1.25 -3.57 120.64 115.73 1k5g n GLU 46 Ca 0.00 0.00 -0.00 0.00 -0.42 0.00 0.00 57.16 56.74 1k5g n GLU 46 Cb 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 31.44 30.87 1k5g n GLU 46 CO 0.00 0.00 0.00 -1.91 -0.48 0.00 0.00 177.13 174.74 1k5g n GLU 47 N 0.00 -1.27 0.04 3.49 2.13 -1.24 -4.96 120.64 118.84 1k5g n GLU 47 Ca 0.00 1.45 -0.13 0.00 0.66 0.00 0.00 57.16 59.15 1k5g n GLU 47 Cb 0.00 -5.49 -0.09 0.00 0.27 0.00 0.00 31.44 26.13 1k5g n GLU 47 CO 0.00 0.00 0.00 -0.07 -0.41 0.00 0.00 177.13 176.65 1k5g h LEU 48 N 0.48 -0.08 -8.66 4.31 3.38 -1.36 -3.45 115.31 109.93 1k5g h LEU 48 Ca 0.00 -0.29 -0.65 0.00 0.09 0.00 0.00 57.88 57.04 1k5g h LEU 48 Cb 1.00 0.02 -0.26 0.00 0.09 0.00 0.00 40.66 41.51 1k5g h LEU 48 CO 0.28 0.25 -0.86 0.12 0.09 0.00 0.00 178.44 178.31 1k5g s PHE 49 N -4.87 2.10 -0.18 1.13 5.36 -1.23 -4.97 117.98 115.31 1k5g s PHE 49 Ca -0.15 -0.40 -0.06 0.00 -0.96 0.00 0.00 56.93 55.37 1k5g s PHE 49 Cb 0.03 -1.25 0.09 0.00 -0.34 0.00 0.00 43.02 41.54 1k5g s PHE 49 CO 0.64 0.11 0.37 0.21 -1.46 0.00 0.00 175.22 175.09 1k5g s LYS 50 N -1.22 0.27 -0.24 10.12 2.20 -1.26 -1.53 119.74 128.08 1k5g s LYS 50 Ca 0.10 0.90 -0.26 0.00 -0.36 0.00 0.00 55.97 56.35 1k5g s LYS 50 Cb -0.09 0.14 0.09 0.00 -1.51 0.00 0.00 37.83 36.45 1k5g s LYS 50 CO 0.02 -0.30 0.80 1.41 -0.36 0.00 0.00 175.35 176.92 1k5g s MET 51 N 2.55 0.77 0.29 4.03 1.75 -0.90 -4.96 119.30 122.83 1k5g s MET 51 Ca 0.00 0.77 -0.24 0.00 -1.25 0.00 0.00 55.69 54.97 1k5g s MET 51 Cb -0.12 0.38 -0.09 0.00 2.84 0.00 0.00 34.83 37.83 1k5g s MET 51 CO -0.12 -0.12 0.88 -0.98 -0.65 0.00 0.00 175.02 174.03 1k5g s ARG 52 N 0.07 4.49 0.10 4.11 1.70 -1.26 0.48 118.95 128.64 1k5g s ARG 52 Ca -0.01 1.20 -0.26 0.00 -0.47 0.00 0.00 55.73 56.19 1k5g s ARG 52 Cb -0.04 -2.84 0.08 0.00 -0.57 0.00 0.00 34.95 31.58 1k5g s ARG 52 CO 0.00 0.32 0.88 0.00 -1.08 0.00 0.00 175.30 175.42 1k5g s ALA 53 N -1.57 -1.69 -0.20 7.88 0.00 0.10 -4.61 121.76 121.67 1k5g s ALA 53 Ca 0.48 0.51 -0.12 0.00 0.00 0.00 0.00 51.96 52.82 1k5g s ALA 53 Cb -0.18 0.59 -0.05 0.00 0.00 0.00 0.00 23.12 23.48 1k5g s ALA 53 CO 0.23 -0.87 0.23 0.21 0.00 0.00 0.00 175.76 175.57 1k5g s LYS 54 N -3.31 4.18 -0.08 0.00 2.20 -0.81 -1.75 119.74 120.18 1k5g s LYS 54 Ca 0.08 -0.07 -0.02 0.00 -0.36 0.00 0.00 55.97 55.60 1k5g s LYS 54 Cb -0.01 -3.48 -0.03 0.00 -1.51 0.00 0.00 37.83 32.80 1k5g s LYS 54 CO -0.04 0.16 0.03 -1.17 -0.36 0.00 0.00 175.35 173.96 1k5g s LEU 55 N 0.75 3.70 0.14 5.43 2.96 0.15 -1.00 118.68 130.82 1k5g s LEU 55 Ca 0.12 0.17 0.10 0.00 -0.22 0.00 0.00 54.13 54.31 1k5g s LEU 55 Cb -0.13 -1.90 -0.04 0.00 0.50 0.00 0.00 46.19 44.62 1k5g s LEU 55 CO 0.03 0.37 -0.24 -0.36 -1.32 0.00 0.00 176.35 174.83 1k5g s PHE 56 N -0.94 2.14 0.19 5.38 0.40 0.12 -0.30 117.98 124.97 1k5g s PHE 56 Ca 0.15 -0.39 0.06 0.00 -0.60 0.00 0.00 56.93 56.15 1k5g s PHE 56 Cb -0.11 -1.13 -0.04 0.00 0.51 0.00 0.00 43.02 42.25 1k5g s PHE 56 CO 0.04 0.35 0.09 0.50 0.70 0.00 0.00 175.22 176.90 1k5g s ARG 57 N -2.26 2.68 -0.24 0.44 3.00 0.18 -2.52 118.95 120.22 1k5g s ARG 57 Ca 0.14 -1.03 -0.05 0.00 -1.00 0.00 0.00 55.73 53.80 1k5g s ARG 57 Cb -0.09 -2.49 -0.01 0.00 0.00 0.00 0.00 34.95 32.36 1k5g s ARG 57 CO 0.07 0.45 0.01 0.12 0.00 0.00 0.00 175.30 175.94 1k5g s PHE 58 N -1.85 3.02 0.00 5.12 2.19 -1.00 -1.50 117.98 123.96 1k5g s PHE 58 Ca 0.30 -0.81 0.00 0.00 0.33 0.00 0.00 56.93 56.75 1k5g s PHE 58 Cb -0.09 -2.16 0.00 0.00 -1.31 0.00 0.00 43.02 39.46 1k5g s PHE 58 CO 0.22 -0.50 0.00 0.00 1.83 0.00 0.00 175.22 176.77 1k5g n ALA 59 N 4.84 0.00 0.00 11.12 0.00 0.41 -4.85 120.51 132.03 1k5g n ALA 59 Ca -0.17 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.27 1k5g n ALA 59 Cb 0.51 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.96 1k5g n ALA 59 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1k5g n SER 60 N 0.00 0.00 -3.60 0.00 2.88 -1.26 -4.58 113.62 107.06 1k5g n SER 60 Ca 0.00 0.00 -0.41 0.00 -1.33 0.00 0.00 58.87 57.13 1k5g n SER 60 Cb 0.00 0.00 -0.00 0.00 -0.75 0.00 0.00 64.21 63.46 1k5g n SER 60 CO 0.00 0.00 0.00 1.21 -1.23 0.00 0.00 175.04 175.02 1k5g n GLU 61 N 0.00 4.32 0.00 -1.46 4.07 -1.26 -4.22 120.64 122.09 1k5g n GLU 61 Ca 0.00 -3.51 0.00 0.00 -0.06 0.00 0.00 57.16 53.59 1k5g n GLU 61 Cb 0.00 -2.71 0.00 0.00 -0.06 0.00 0.00 31.44 28.67 1k5g n GLU 61 CO 0.00 0.00 0.00 0.09 -0.06 0.00 0.00 177.13 177.16 1k5g n ASN 62 N 2.32 0.55 0.00 4.31 4.13 -1.26 -4.97 115.26 120.35 1k5g n ASN 62 Ca 0.55 -0.78 0.00 0.00 1.68 0.00 0.00 54.58 56.03 1k5g n ASN 62 Cb 0.28 0.43 0.00 0.00 -1.54 0.00 0.00 39.78 38.95 1k5g n ASN 62 CO 0.00 0.00 0.00 0.47 0.28 0.00 0.00 177.26 178.01 1k5g n ASP 63 N -0.43 0.00 -4.09 6.41 9.92 -1.26 -4.82 116.55 122.29 1k5g n ASP 63 Ca 0.00 0.00 -0.36 0.00 -0.53 0.00 0.00 54.79 53.90 1k5g n ASP 63 Cb 0.00 -1.49 -0.10 0.00 -0.64 0.00 0.00 41.12 38.89 1k5g n ASP 63 CO 0.00 0.00 0.00 -0.76 0.13 0.00 0.00 177.20 176.57 1k5g s LEU 64 N 0.00 5.17 -0.82 0.64 1.02 -1.26 -5.03 118.68 118.40 1k5g s LEU 64 Ca 0.00 -2.79 -0.20 0.00 0.02 0.00 0.00 54.13 51.16 1k5g s LEU 64 Cb 0.00 -1.83 -0.19 0.00 0.02 0.00 0.00 46.19 44.19 1k5g s LEU 64 CO 0.00 -0.37 2.13 -2.65 0.02 0.00 0.00 176.35 175.48 1k5g n PRO 65 N 3.56 0.27 -4.44 1.29 -0.02 -1.26 -4.77 135.00 129.63 1k5g n PRO 65 Ca 0.07 -0.82 -0.24 0.00 -2.02 0.00 0.00 63.50 60.48 1k5g n PRO 65 Cb 0.38 -2.96 -0.11 0.00 -0.02 0.00 0.00 33.50 30.79 1k5g n PRO 65 CO 0.00 0.00 0.00 -1.21 1.98 0.00 0.00 175.50 176.27 1k5g s GLU 66 N 8.04 1.58 -0.37 -0.52 2.02 -1.26 -4.93 118.70 123.25 1k5g s GLU 66 Ca 0.87 -1.65 -0.13 0.00 0.02 0.00 0.00 54.97 54.08 1k5g s GLU 66 Cb -0.23 -1.73 0.01 0.00 0.10 0.00 0.00 34.13 32.28 1k5g s GLU 66 CO 0.19 0.34 0.25 -1.58 0.02 0.00 0.00 175.26 174.49 1k5g s TRP 67 N -2.23 3.23 -0.15 1.61 0.52 -1.26 0.15 118.94 120.81 1k5g s TRP 67 Ca 0.26 -0.54 -0.13 0.00 0.02 0.00 0.00 56.10 55.70 1k5g s TRP 67 Cb -0.06 -2.51 -0.05 0.00 -1.15 0.00 0.00 33.47 29.71 1k5g s TRP 67 CO 0.12 -0.52 0.28 0.15 0.02 0.00 0.00 176.95 177.00 1k5g s LYS 68 N 1.67 4.20 0.52 4.98 1.02 -0.56 -4.92 119.74 126.63 1k5g s LYS 68 Ca 0.05 0.08 -0.22 0.00 0.02 0.00 0.00 55.97 55.90 1k5g s LYS 68 Cb -0.18 -3.40 -0.06 0.00 -0.52 0.00 0.00 37.83 33.66 1k5g s LYS 68 CO 0.09 0.29 1.25 0.39 -0.92 0.00 0.00 175.35 176.46 1k5g n GLU 69 N 3.41 1.61 -0.01 1.68 1.02 -1.26 0.50 120.64 127.59 1k5g n GLU 69 Ca -0.13 0.59 -0.01 0.00 -0.02 0.00 0.00 57.16 57.59 1k5g n GLU 69 Cb 0.52 -2.43 -0.01 0.00 -0.02 0.00 0.00 31.44 29.49 1k5g n GLU 69 CO 0.00 0.00 0.00 -2.13 1.18 0.00 0.00 177.13 176.18 1k5g n ARG 70 N -0.68 2.50 0.00 3.49 3.00 0.59 -4.62 116.66 120.95 1k5g n ARG 70 Ca 0.10 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.95 1k5g n ARG 70 Cb 0.43 -1.05 0.00 0.00 0.00 0.00 0.00 32.46 31.85 1k5g n ARG 70 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 1k5g n GLY 71 N 3.05 1.45 2.80 5.14 0.00 -0.97 -4.85 105.19 111.82 1k5g n GLY 71 Ca -0.03 -0.76 -0.27 0.00 0.00 0.00 0.00 46.02 44.96 1k5g n GLY 71 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1k5g s THR 72 N -2.00 0.72 0.00 2.61 2.01 -1.26 0.33 115.64 118.05 1k5g s THR 72 Ca 0.00 -0.45 0.00 0.00 0.31 0.00 0.00 61.69 61.55 1k5g s THR 72 Cb 0.00 -1.03 0.00 0.00 0.01 0.00 0.00 72.50 71.48 1k5g s THR 72 CO 0.00 0.01 0.00 0.61 -0.69 0.00 0.00 174.62 174.55 1k5g n GLY 73 N 5.00 0.69 3.67 4.40 0.00 -0.72 -1.61 105.19 116.64 1k5g n GLY 73 Ca -0.10 -0.73 -0.43 0.00 0.00 0.00 0.00 46.02 44.77 1k5g n GLY 73 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1k5g s ASP 74 N 0.27 7.16 0.19 1.61 -0.00 -1.24 0.02 116.67 124.68 1k5g s ASP 74 Ca 0.00 1.44 -0.15 0.00 -0.00 0.00 0.00 52.55 53.84 1k5g s ASP 74 Cb 0.00 -2.54 -0.07 0.00 -0.00 0.00 0.00 42.92 40.30 1k5g s ASP 74 CO 0.00 -0.56 0.61 -0.69 -0.00 0.00 0.00 175.17 174.52 1k5g s VAL 75 N 2.65 4.78 -0.01 -1.27 1.01 0.18 -3.72 120.40 124.02 1k5g s VAL 75 Ca 0.46 0.90 -0.02 0.00 0.00 0.00 0.00 61.98 63.32 1k5g s VAL 75 Cb -0.16 -3.74 0.00 0.00 0.00 0.00 0.00 36.38 32.48 1k5g s VAL 75 CO 0.11 0.16 0.04 -0.54 0.00 0.00 0.00 175.10 174.87 1k5g s LYS 76 N -2.17 0.12 -0.21 2.72 1.02 -0.89 -2.11 119.74 118.22 1k5g s LYS 76 Ca 0.42 -0.06 -0.04 0.00 0.02 0.00 0.00 55.97 56.31 1k5g s LYS 76 Cb -0.14 0.05 -0.01 0.00 -0.52 0.00 0.00 37.83 37.20 1k5g s LYS 76 CO 0.20 -0.02 -0.03 -0.51 -0.92 0.00 0.00 175.35 174.07 1k5g s LEU 77 N -0.27 3.01 -0.04 3.17 1.43 -0.58 -0.75 118.68 124.65 1k5g s LEU 77 Ca -0.03 -0.32 0.05 0.00 -1.03 0.00 0.00 54.13 52.80 1k5g s LEU 77 Cb -0.02 -1.76 -0.01 0.00 0.03 0.00 0.00 46.19 44.43 1k5g s LEU 77 CO 0.00 0.02 -0.21 -0.76 0.23 0.00 0.00 176.35 175.63 1k5g s LEU 78 N 1.27 1.99 0.09 1.79 1.43 -0.16 -0.80 118.68 124.28 1k5g s LEU 78 Ca 0.03 -0.41 0.07 0.00 -1.03 0.00 0.00 54.13 52.79 1k5g s LEU 78 Cb -0.14 -1.13 -0.04 0.00 0.03 0.00 0.00 46.19 44.90 1k5g s LEU 78 CO -0.01 0.21 -0.11 -0.75 0.23 0.00 0.00 176.35 175.92 1k5g s LYS 79 N -0.15 2.12 -0.26 1.70 2.20 -1.26 -0.05 119.74 124.04 1k5g s LYS 79 Ca -0.01 -1.01 -0.16 0.00 -0.36 0.00 0.00 55.97 54.43 1k5g s LYS 79 Cb -0.12 -2.29 -0.03 0.00 -1.51 0.00 0.00 37.83 33.88 1k5g s LYS 79 CO 0.02 0.52 0.44 -1.58 -0.36 0.00 0.00 175.35 174.39 1k5g s HIS 80 N -1.16 3.26 0.12 4.03 5.65 0.61 -3.78 115.29 124.04 1k5g s HIS 80 Ca 0.20 0.52 -0.31 0.00 0.25 0.00 0.00 55.06 55.72 1k5g s HIS 80 Cb -0.11 -2.64 -0.08 0.00 -1.18 0.00 0.00 32.58 28.57 1k5g s HIS 80 CO 0.12 -0.24 1.57 0.87 -0.65 0.00 0.00 174.74 176.41 1k5g h LYS 81 N 8.06 -0.54 0.00 2.88 1.57 -1.60 -3.12 116.57 123.82 1k5g h LYS 81 Ca -0.31 0.04 0.00 0.00 -1.87 0.00 0.00 60.65 58.51 1k5g h LYS 81 Cb 1.15 0.12 0.00 0.00 0.08 0.00 0.00 32.23 33.59 1k5g h LYS 81 CO 0.68 -0.36 0.00 0.39 -0.57 0.00 0.00 179.45 179.59 1k5g n GLU 82 N -5.45 0.00 0.00 3.15 -0.58 -1.26 -4.75 120.64 111.76 1k5g n GLU 82 Ca -0.05 0.52 0.00 0.00 -0.42 0.00 0.00 57.16 57.20 1k5g n GLU 82 Cb 0.38 -1.32 0.00 0.00 -0.57 0.00 0.00 31.44 29.92 1k5g n GLU 82 CO 0.00 0.00 0.00 1.63 -0.48 0.00 0.00 177.13 178.28 1k5g n LYS 83 N -1.79 2.57 0.00 3.49 5.02 -1.18 -5.06 118.16 121.21 1k5g n LYS 83 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.29 1k5g n LYS 83 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.01 1k5g n LYS 83 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1k5g n GLY 84 N 5.00 0.00 0.09 0.72 0.00 -1.21 -4.66 105.19 105.13 1k5g n GLY 84 Ca 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.01 1k5g n GLY 84 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1k5g n ALA 85 N -1.71 -0.73 -3.12 4.61 0.00 -1.26 -3.06 120.51 115.24 1k5g n ALA 85 Ca 0.00 0.01 -0.25 0.00 0.00 0.00 0.00 53.44 53.20 1k5g n ALA 85 Cb 0.16 -0.05 -0.16 0.00 0.00 0.00 0.00 19.45 19.40 1k5g n ALA 85 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 1k5g s ILE 86 N -0.01 1.29 0.29 0.00 1.01 -1.25 -0.28 121.20 122.25 1k5g s ILE 86 Ca 0.02 -0.61 0.02 0.00 0.00 0.00 0.00 60.65 60.08 1k5g s ILE 86 Cb -0.03 -1.14 -0.06 0.00 0.01 0.00 0.00 42.46 41.25 1k5g s ILE 86 CO 0.02 0.38 0.08 0.00 0.00 0.00 0.00 174.94 175.42 1k5g s ARG 87 N 0.28 1.52 -0.15 2.79 1.70 0.92 -0.38 118.95 125.64 1k5g s ARG 87 Ca -0.08 -1.83 -0.04 0.00 -0.47 0.00 0.00 55.73 53.30 1k5g s ARG 87 Cb -0.13 -0.52 -0.03 0.00 -0.57 0.00 0.00 34.95 33.70 1k5g s ARG 87 CO 0.03 -0.25 -0.02 -1.17 -1.08 0.00 0.00 175.30 172.81 1k5g s LEU 88 N -3.39 3.38 -0.15 -1.89 0.20 0.77 -0.99 118.68 116.61 1k5g s LEU 88 Ca 0.37 -0.06 -0.03 0.00 0.69 0.00 0.00 54.13 55.10 1k5g s LEU 88 Cb 0.08 -1.81 0.05 0.00 -0.43 0.00 0.00 46.19 44.08 1k5g s LEU 88 CO 0.15 0.20 0.06 -0.22 -0.29 0.00 0.00 176.35 176.24 1k5g s LEU 89 N 0.18 0.62 0.05 -0.68 2.96 0.08 -1.94 118.68 119.94 1k5g s LEU 89 Ca -0.00 -0.52 0.08 0.00 -0.22 0.00 0.00 54.13 53.46 1k5g s LEU 89 Cb -0.13 -0.37 -0.03 0.00 0.50 0.00 0.00 46.19 46.15 1k5g s LEU 89 CO 0.02 -0.30 -0.20 -0.32 -1.32 0.00 0.00 176.35 174.23 1k5g s MET 90 N 2.03 1.98 0.02 1.98 1.75 0.56 -2.10 119.30 125.52 1k5g s MET 90 Ca 0.02 -1.03 0.05 0.00 -1.25 0.00 0.00 55.69 53.47 1k5g s MET 90 Cb -0.15 -2.14 -0.02 0.00 2.84 0.00 0.00 34.83 35.36 1k5g s MET 90 CO -0.07 0.53 -0.14 1.03 -0.65 0.00 0.00 175.02 175.71 1k5g s ARG 91 N -1.46 1.02 0.48 4.11 0.52 -1.24 -0.48 118.95 121.90 1k5g s ARG 91 Ca 0.14 -0.64 -0.14 0.00 -0.52 0.00 0.00 55.73 54.58 1k5g s ARG 91 Cb -0.10 -1.01 -0.07 0.00 0.52 0.00 0.00 34.95 34.28 1k5g s ARG 91 CO 0.05 0.26 0.91 1.03 0.02 0.00 0.00 175.30 177.57 1k5g s ARG 92 N -0.76 3.87 0.77 3.54 0.52 -0.53 -3.69 118.95 122.67 1k5g s ARG 92 Ca 0.03 0.76 -0.13 0.00 -0.52 0.00 0.00 55.73 55.87 1k5g s ARG 92 Cb -0.07 -2.23 0.06 0.00 0.52 0.00 0.00 34.95 33.24 1k5g s ARG 92 CO 0.00 -0.20 1.17 -0.51 0.02 0.00 0.00 175.30 175.79 1k5g s ASP 93 N -3.17 4.05 0.00 0.23 -0.00 -0.63 -1.11 116.67 116.04 1k5g s ASP 93 Ca 0.56 2.23 0.00 0.00 -0.00 0.00 0.00 52.55 55.34 1k5g s ASP 93 Cb -0.10 -2.57 0.00 0.00 -0.00 0.00 0.00 42.92 40.25 1k5g s ASP 93 CO 0.33 -2.36 0.00 0.29 -0.00 0.00 0.00 175.17 173.43 1k5g n LYS 94 N -3.10 0.00 0.03 8.23 4.01 -1.26 -3.82 118.16 122.24 1k5g n LYS 94 Ca 0.12 0.00 -0.05 0.00 -0.51 0.00 0.00 58.31 57.88 1k5g n LYS 94 Cb 0.51 0.00 0.17 0.00 -0.51 0.00 0.00 35.03 35.20 1k5g n LYS 94 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 1k5g h THR 95 N 0.00 1.29 0.00 -0.18 1.03 -2.01 -3.46 112.91 109.58 1k5g h THR 95 Ca 0.00 -1.46 0.00 0.00 -0.01 0.00 0.00 66.41 64.94 1k5g h THR 95 Cb 0.00 1.52 0.00 0.00 -1.07 0.00 0.00 68.15 68.60 1k5g h THR 95 CO 0.00 0.46 0.00 0.18 -0.01 0.00 0.00 175.52 176.15 1k5g n LEU 96 N -4.06 0.63 -4.77 0.00 4.32 -0.27 -4.98 117.00 107.87 1k5g n LEU 96 Ca -0.01 0.00 -0.36 0.00 -0.02 0.00 0.00 56.01 55.61 1k5g n LEU 96 Cb 0.47 -1.68 0.01 0.00 -1.62 0.00 0.00 43.42 40.60 1k5g n LEU 96 CO 0.43 -0.60 0.84 -0.54 -1.22 0.00 0.00 177.39 176.30 1k5g s LYS 97 N -1.20 3.41 -0.01 3.23 -0.14 -1.26 -4.55 119.74 119.22 1k5g s LYS 97 Ca 0.00 1.81 -0.30 0.00 -1.36 0.00 0.00 55.97 56.11 1k5g s LYS 97 Cb 0.00 -2.19 -0.05 0.00 -1.68 0.00 0.00 37.83 33.92 1k5g s LYS 97 CO 0.00 -0.85 1.33 0.42 -0.76 0.00 0.00 175.35 175.49 1k5g s ILE 98 N -1.58 3.89 -1.02 2.17 1.01 -1.26 -1.45 121.20 122.96 1k5g s ILE 98 Ca 0.70 1.26 0.10 0.00 0.00 0.00 0.00 60.65 62.71 1k5g s ILE 98 Cb -0.29 -3.81 0.21 0.00 0.01 0.00 0.00 42.46 38.58 1k5g s ILE 98 CO 0.34 0.00 1.09 0.00 0.00 0.00 0.00 174.94 176.37 1k5g s ALA 100 N -0.95 -2.56 -0.41 0.00 0.00 -1.22 -4.85 121.76 111.77 1k5g s ALA 100 Ca 0.18 1.96 0.02 0.00 0.00 0.00 0.00 51.96 54.13 1k5g s ALA 100 Cb 0.10 -1.92 0.19 0.00 0.00 0.00 0.00 23.12 21.49 1k5g s ALA 100 CO 0.14 -0.29 0.80 1.21 0.00 0.00 0.00 175.76 177.62 1k5g s ASN 101 N 0.92 -1.11 0.09 0.00 2.47 -1.23 -0.32 114.94 115.76 1k5g s ASN 101 Ca -0.06 -0.80 -0.03 0.00 0.42 0.00 0.00 52.86 52.39 1k5g s ASN 101 Cb -0.03 1.43 -0.03 0.00 -1.45 0.00 0.00 41.25 41.17 1k5g s ASN 101 CO -0.11 -0.10 0.05 -1.38 -3.72 0.00 0.00 177.10 171.84 1k5g s HIS 102 N 1.57 0.56 0.55 0.43 -3.43 -0.82 -1.54 115.29 112.61 1k5g s HIS 102 Ca 0.20 -1.03 -0.12 0.00 -0.80 0.00 0.00 55.06 53.31 1k5g s HIS 102 Cb 0.00 -0.35 -0.05 0.00 -1.43 0.00 0.00 32.58 30.75 1k5g s HIS 102 CO -0.09 -0.47 0.96 0.71 -2.00 0.00 0.00 174.74 173.86 1k5g s TYR 103 N -3.95 3.56 -0.25 0.38 2.02 -1.26 -0.16 117.35 117.68 1k5g s TYR 103 Ca 0.12 1.25 -0.13 0.00 -0.37 0.00 0.00 57.07 57.95 1k5g s TYR 103 Cb 0.07 -2.66 -0.04 0.00 -0.40 0.00 0.00 41.96 38.93 1k5g s TYR 103 CO -0.06 -0.49 0.28 0.42 -1.57 0.00 0.00 175.55 174.13 1k5g s ILE 104 N -2.89 5.26 0.44 2.71 1.01 0.49 -4.81 121.20 123.42 1k5g s ILE 104 Ca 0.55 0.39 0.08 0.00 0.00 0.00 0.00 60.65 61.67 1k5g s ILE 104 Cb -0.11 -3.61 0.01 0.00 0.01 0.00 0.00 42.46 38.77 1k5g s ILE 104 CO 0.44 0.25 0.54 0.42 0.00 0.00 0.00 174.94 176.59 1k5g s THR 105 N 1.57 2.75 0.09 2.92 -4.23 -1.26 -4.78 115.64 112.70 1k5g s THR 105 Ca 0.12 -1.12 -0.28 0.00 -1.18 0.00 0.00 61.69 59.23 1k5g s THR 105 Cb -0.15 -2.87 -0.15 0.00 1.34 0.00 0.00 72.50 70.67 1k5g s THR 105 CO 0.08 0.00 1.67 -0.65 -0.54 0.00 0.00 174.62 175.18 1k5g h PRO 106 N 0.70 -0.49 -4.49 3.99 0.11 -1.88 -3.28 132.00 126.65 1k5g h PRO 106 Ca -0.39 0.03 -0.71 0.00 0.11 0.00 0.00 66.00 65.04 1k5g h PRO 106 Cb 1.28 0.11 -0.07 0.00 0.11 0.00 0.00 31.00 32.43 1k5g h PRO 106 CO 0.48 -0.33 2.64 -1.33 -0.21 0.00 0.00 178.00 179.26 1k5g n MET 107 N -5.33 3.07 -3.57 1.05 2.81 -1.26 -4.85 117.12 109.05 1k5g n MET 107 Ca -0.10 -2.98 -0.16 0.00 -1.81 0.00 0.00 57.70 52.65 1k5g n MET 107 Cb 0.24 -3.29 -0.06 0.00 -0.71 0.00 0.00 33.22 29.40 1k5g n MET 107 CO 0.00 0.00 0.00 1.41 1.51 0.00 0.00 175.97 178.89 1k5g s MET 108 N 3.04 0.99 -0.14 0.03 0.00 -1.24 -4.98 119.30 117.00 1k5g s MET 108 Ca 0.48 0.08 -0.34 0.00 0.00 0.00 0.00 55.69 55.91 1k5g s MET 108 Cb 0.10 0.46 0.14 0.00 0.00 0.00 0.00 34.83 35.53 1k5g s MET 108 CO -0.03 -0.32 1.30 -1.83 0.00 0.00 0.00 175.02 174.15 1k5g s GLU 109 N -1.49 0.24 -0.18 4.11 1.03 -1.26 -4.99 118.70 116.16 1k5g s GLU 109 Ca -0.10 -0.11 -0.15 0.00 0.03 0.00 0.00 54.97 54.64 1k5g s GLU 109 Cb -0.01 0.09 -0.04 0.00 -0.80 0.00 0.00 34.13 33.37 1k5g s GLU 109 CO 0.06 -0.11 0.34 -0.51 -1.33 0.00 0.00 175.26 173.72 1k5g s LEU 110 N -2.53 4.20 -0.18 1.83 1.43 -1.26 -4.59 118.68 117.58 1k5g s LEU 110 Ca 0.12 0.51 0.01 0.00 -1.03 0.00 0.00 54.13 53.74 1k5g s LEU 110 Cb 0.02 -2.44 0.03 0.00 0.03 0.00 0.00 46.19 43.83 1k5g s LEU 110 CO -0.04 0.01 -0.16 -0.54 0.23 0.00 0.00 176.35 175.86 1k5g s LYS 111 N 0.88 2.52 0.32 1.70 1.02 -1.18 -4.94 119.74 120.06 1k5g s LYS 111 Ca 0.18 -0.79 -0.25 0.00 0.02 0.00 0.00 55.97 55.12 1k5g s LYS 111 Cb -0.14 -2.42 -0.15 0.00 -0.52 0.00 0.00 37.83 34.60 1k5g s LYS 111 CO 0.06 -0.29 0.49 -2.30 -0.92 0.00 0.00 175.35 172.39 1k5g n PRO 112 N 4.66 0.33 -1.36 -1.68 -0.02 -1.26 -2.21 135.00 133.46 1k5g n PRO 112 Ca -0.18 0.12 -0.39 0.00 -2.02 0.00 0.00 63.50 61.03 1k5g n PRO 112 Cb 0.49 -1.24 -0.02 0.00 -0.02 0.00 0.00 33.50 32.70 1k5g n PRO 112 CO 0.00 0.00 0.00 -1.71 1.98 0.00 0.00 175.50 175.77 1k5g n ASN 113 N 1.79 7.15 0.00 2.55 5.15 -1.05 -4.79 115.26 126.05 1k5g n ASN 113 Ca 0.14 -2.62 0.00 0.00 -0.60 0.00 0.00 54.58 51.50 1k5g n ASN 113 Cb 0.33 -1.54 0.00 0.00 -0.53 0.00 0.00 39.78 38.04 1k5g n ASN 113 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1k5g n ALA 114 N 4.34 0.00 -1.67 5.20 0.00 -1.26 -4.40 120.51 122.71 1k5g n ALA 114 Ca 0.69 0.00 -0.32 0.00 0.00 0.00 0.00 53.44 53.81 1k5g n ALA 114 Cb 0.27 0.00 0.02 0.00 0.00 0.00 0.00 19.45 19.73 1k5g n ALA 114 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 1k5g s GLY 115 N 0.00 1.90 0.34 0.00 0.00 -1.26 -4.84 107.32 103.46 1k5g s GLY 115 Ca 0.00 0.20 0.00 0.00 0.00 0.00 0.00 44.72 44.92 1k5g s GLY 115 CO 0.00 0.50 0.00 -1.26 0.00 0.00 0.00 173.10 172.34 1k5g n SER 116 N -2.45 -5.32 0.00 1.64 2.88 -1.26 -4.92 113.62 104.18 1k5g n SER 116 Ca 0.08 0.98 0.00 0.00 -1.33 0.00 0.00 58.87 58.60 1k5g n SER 116 Cb 0.53 -2.62 0.00 0.00 -0.75 0.00 0.00 64.21 61.37 1k5g n SER 116 CO 0.00 0.00 0.00 -0.90 -1.23 0.00 0.00 175.04 172.91 1k5g n ASP 117 N -1.68 0.54 0.00 -3.46 5.75 -1.26 -4.03 116.55 112.41 1k5g n ASP 117 Ca 0.00 -0.81 0.10 0.00 -0.01 0.00 0.00 54.79 54.08 1k5g n ASP 117 Cb 0.17 0.26 0.60 0.00 -1.03 0.00 0.00 41.12 41.12 1k5g n ASP 117 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 1k5g n ARG 118 N -0.26 0.87 -4.00 0.11 1.74 -1.26 -4.79 116.66 109.07 1k5g n ARG 118 Ca 0.00 0.00 -0.10 0.00 -0.77 0.00 0.00 57.85 56.98 1k5g n ARG 118 Cb 0.03 -1.37 -0.11 0.00 -1.02 0.00 0.00 32.46 30.00 1k5g n ARG 118 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1k5g s ALA 119 N -2.00 0.22 0.07 7.54 0.00 -1.26 0.05 121.76 126.37 1k5g s ALA 119 Ca 0.30 -0.61 0.03 0.00 0.00 0.00 0.00 51.96 51.69 1k5g s ALA 119 Cb 0.14 0.12 -0.03 0.00 0.00 0.00 0.00 23.12 23.35 1k5g s ALA 119 CO 0.23 -0.12 -0.10 -1.58 0.00 0.00 0.00 175.76 174.19 1k5g s TRP 120 N -1.39 0.91 0.48 0.00 0.52 -0.49 -2.54 118.94 116.43 1k5g s TRP 120 Ca -0.14 -0.56 0.05 0.00 0.02 0.00 0.00 56.10 55.47 1k5g s TRP 120 Cb -0.10 -0.52 -0.01 0.00 -1.15 0.00 0.00 33.47 31.69 1k5g s TRP 120 CO -0.01 -0.04 0.22 0.14 0.02 0.00 0.00 176.95 177.28 1k5g s VAL 121 N -1.80 1.84 0.00 4.03 -7.23 -0.94 -1.00 120.40 115.31 1k5g s VAL 121 Ca -0.03 -1.69 0.00 0.00 -1.81 0.00 0.00 61.98 58.45 1k5g s VAL 121 Cb -0.07 -2.53 0.00 0.00 0.56 0.00 0.00 36.38 34.34 1k5g s VAL 121 CO 0.00 0.00 0.00 -2.67 -0.31 0.00 0.00 175.10 172.12 1k5g n TRP 122 N -1.42 0.00 -4.16 2.82 2.14 -1.09 -3.10 117.44 112.63 1k5g n TRP 122 Ca -0.05 0.00 -0.28 0.00 2.07 0.00 0.00 57.50 59.24 1k5g n TRP 122 Cb 0.65 0.00 -0.08 0.00 -0.81 0.00 0.00 31.31 31.07 1k5g n TRP 122 CO 0.00 0.00 0.00 1.21 2.07 0.00 0.00 177.69 180.97 1k5g s ASN 123 N 0.00 4.97 -0.07 -0.67 3.04 -1.26 -2.01 114.94 118.93 1k5g s ASN 123 Ca 0.00 -0.27 -0.02 0.00 0.04 0.00 0.00 52.86 52.61 1k5g s ASN 123 Cb 0.00 -1.14 0.04 0.00 -1.54 0.00 0.00 41.25 38.60 1k5g s ASN 123 CO 0.00 0.12 0.06 -0.89 -3.04 0.00 0.00 177.10 173.35 1k5g s THR 124 N -1.55 -0.00 0.61 -5.21 2.01 -0.87 -4.91 115.64 105.72 1k5g s THR 124 Ca 0.27 0.23 0.33 0.00 0.31 0.00 0.00 61.69 62.84 1k5g s THR 124 Cb -0.10 -0.32 0.38 0.00 0.01 0.00 0.00 72.50 72.46 1k5g s THR 124 CO 0.19 0.09 2.24 0.45 -0.69 0.00 0.00 174.62 176.90 1k5g h HIS 125 N 8.41 0.00 -0.93 4.92 -0.00 -1.90 -3.01 115.15 122.64 1k5g h HIS 125 Ca -0.14 0.00 0.09 0.00 -0.00 0.00 0.00 60.37 60.32 1k5g h HIS 125 Cb 1.13 0.00 -0.21 0.00 -0.00 0.00 0.00 27.41 28.33 1k5g h HIS 125 CO 0.41 0.00 -0.25 0.00 -0.00 0.00 0.00 177.93 178.09 1k5g s ALA 126 N -4.50 -2.42 0.35 2.45 0.00 -1.26 -4.13 121.76 112.25 1k5g s ALA 126 Ca -0.05 1.66 0.01 0.00 0.00 0.00 0.00 51.96 53.58 1k5g s ALA 126 Cb 0.14 -2.28 -0.03 0.00 0.00 0.00 0.00 23.12 20.95 1k5g s ALA 126 CO 0.50 -1.45 0.54 0.34 0.00 0.00 0.00 175.76 175.70 1k5g s ASP 127 N 2.86 6.27 -0.08 0.00 2.15 0.32 -4.55 116.67 123.65 1k5g s ASP 127 Ca 0.17 0.41 0.23 0.00 0.43 0.00 0.00 52.55 53.80 1k5g s ASP 127 Cb -0.13 -1.99 0.45 0.00 -0.30 0.00 0.00 42.92 40.95 1k5g s ASP 127 CO -0.21 -0.30 1.16 0.33 -0.17 0.00 0.00 175.17 175.98 1k5g n PHE 128 N -1.78 0.33 0.12 -5.34 7.35 -0.59 -1.70 117.46 115.85 1k5g n PHE 128 Ca -0.05 -0.98 0.01 0.00 -0.76 0.00 0.00 57.45 55.68 1k5g n PHE 128 Cb 0.56 -0.18 0.34 0.00 0.35 0.00 0.00 39.48 40.55 1k5g n PHE 128 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 1k5g h ALA 129 N 1.36 1.37 -0.49 3.13 0.00 -1.85 -2.15 119.26 120.63 1k5g h ALA 129 Ca -0.17 -0.28 -0.04 0.00 0.00 0.00 0.00 54.91 54.42 1k5g h ALA 129 Cb 1.68 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 19.36 1k5g h ALA 129 CO 0.13 0.43 0.04 -0.25 0.00 0.00 0.00 179.25 179.60 1k5g n ASP 130 N -4.18 4.91 -2.46 0.00 8.00 -1.26 -4.68 116.55 116.88 1k5g n ASP 130 Ca -0.01 -3.04 -0.15 0.00 0.71 0.00 0.00 54.79 52.31 1k5g n ASP 130 Cb 0.34 -0.65 -0.01 0.00 -0.02 0.00 0.00 41.12 40.79 1k5g n ASP 130 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 1k5g n GLU 131 N 0.07 -2.17 -3.67 -1.24 1.02 -0.81 -4.94 120.64 108.92 1k5g n GLU 131 Ca 0.28 0.69 -0.15 0.00 -0.02 0.00 0.00 57.16 57.96 1k5g n GLU 131 Cb 1.13 -5.31 -0.15 0.00 -0.02 0.00 0.00 31.44 27.09 1k5g n GLU 131 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1k5g n PRO 133 N 5.31 1.05 -4.39 0.00 -0.02 -1.26 -4.58 135.00 131.12 1k5g n PRO 133 Ca -0.06 0.22 -0.19 0.00 -2.02 0.00 0.00 63.50 61.45 1k5g n PRO 133 Cb 0.50 -2.68 -0.15 0.00 -0.02 0.00 0.00 33.50 31.15 1k5g n PRO 133 CO 0.00 0.00 0.00 0.15 1.98 0.00 0.00 175.50 177.63 1k5g s LYS 134 N 7.07 0.84 -0.52 -0.52 1.02 -0.69 -4.88 119.74 122.05 1k5g s LYS 134 Ca 1.09 -0.32 -0.27 0.00 0.02 0.00 0.00 55.97 56.48 1k5g s LYS 134 Cb -0.68 -0.81 -0.01 0.00 -0.52 0.00 0.00 37.83 35.81 1k5g s LYS 134 CO 0.42 0.17 1.77 -2.14 -0.92 0.00 0.00 175.35 174.65 1k5g s PRO 135 N -0.06 2.93 -0.07 -1.68 0.02 -1.26 -0.52 135.00 134.36 1k5g s PRO 135 Ca 0.01 0.82 0.01 0.00 0.02 0.00 0.00 61.00 61.86 1k5g s PRO 135 Cb -0.06 -4.29 -0.03 0.00 0.02 0.00 0.00 34.50 30.14 1k5g s PRO 135 CO -0.00 -2.36 -0.09 -2.00 -0.33 0.00 0.00 177.00 172.22 1k5g s GLU 136 N 6.41 2.77 -0.52 5.54 2.56 -1.14 -4.99 118.70 129.34 1k5g s GLU 136 Ca 0.68 -0.59 -0.01 0.00 0.00 0.00 0.00 54.97 55.06 1k5g s GLU 136 Cb -0.15 -2.56 0.14 0.00 2.00 0.00 0.00 34.13 33.56 1k5g s GLU 136 CO 0.25 0.61 0.31 -1.17 -0.56 0.00 0.00 175.26 174.70 1k5g s LEU 137 N -0.67 5.03 0.00 2.70 0.20 -1.26 -2.05 118.68 122.63 1k5g s LEU 137 Ca 0.10 -2.61 -0.02 0.00 0.69 0.00 0.00 54.13 52.30 1k5g s LEU 137 Cb -0.11 -1.79 0.04 0.00 -0.43 0.00 0.00 46.19 43.90 1k5g s LEU 137 CO 0.01 -0.39 0.26 0.18 -0.29 0.00 0.00 176.35 176.13 1k5g n LEU 138 N 3.77 0.00 -3.27 -0.68 4.77 -0.85 -2.38 117.00 118.36 1k5g n LEU 138 Ca 0.04 -0.43 0.04 0.00 -0.03 0.00 0.00 56.01 55.63 1k5g n LEU 138 Cb 0.38 -0.19 -0.04 0.00 -2.33 0.00 0.00 43.42 41.24 1k5g n LEU 138 CO 0.32 -0.66 0.95 0.00 -1.33 0.00 0.00 177.39 176.67 1k5g s ALA 139 N -3.31 -3.19 0.06 -1.18 0.00 -1.05 -2.68 121.76 110.42 1k5g s ALA 139 Ca 0.16 1.82 0.08 0.00 0.00 0.00 0.00 51.96 54.02 1k5g s ALA 139 Cb -0.01 -2.24 -0.03 0.00 0.00 0.00 0.00 23.12 20.84 1k5g s ALA 139 CO 0.11 -0.84 -0.20 -1.50 0.00 0.00 0.00 175.76 173.33 1k5g s ILE 140 N 1.84 2.64 -0.04 0.00 2.07 -0.17 0.12 121.20 127.66 1k5g s ILE 140 Ca -0.01 -1.31 0.04 0.00 -1.41 0.00 0.00 60.65 57.97 1k5g s ILE 140 Cb -0.01 -2.12 -0.00 0.00 0.13 0.00 0.00 42.46 40.46 1k5g s ILE 140 CO -0.15 0.29 -0.16 -0.60 -1.91 0.00 0.00 174.94 172.42 1k5g s ARG 141 N -1.54 1.59 0.32 3.50 3.52 -0.17 -1.39 118.95 124.78 1k5g s ARG 141 Ca 0.14 -0.57 0.08 0.00 -0.13 0.00 0.00 55.73 55.26 1k5g s ARG 141 Cb -0.10 -1.42 -0.04 0.00 -1.56 0.00 0.00 34.95 31.83 1k5g s ARG 141 CO 0.05 0.25 0.15 -0.06 -0.81 0.00 0.00 175.30 174.88 1k5g s PHE 142 N -0.02 2.77 0.11 5.12 0.08 0.11 -1.92 117.98 124.23 1k5g s PHE 142 Ca -0.02 -0.33 -0.30 0.00 0.12 0.00 0.00 56.93 56.40 1k5g s PHE 142 Cb -0.10 -1.59 -0.09 0.00 -0.57 0.00 0.00 43.02 40.67 1k5g s PHE 142 CO 0.01 0.37 1.59 1.25 -0.10 0.00 0.00 175.22 178.34 1k5g h LEU 143 N 1.54 -1.19 -8.74 -0.37 5.85 -1.87 -3.43 115.31 107.10 1k5g h LEU 143 Ca -0.44 0.14 -0.70 0.00 0.84 0.00 0.00 57.88 57.72 1k5g h LEU 143 Cb 1.25 0.45 -0.27 0.00 0.37 0.00 0.00 40.66 42.46 1k5g h LEU 143 CO 0.62 -0.47 -0.85 0.20 -0.34 0.00 0.00 178.44 177.60 1k5g s ASN 144 N -4.73 3.40 0.48 1.25 0.01 -1.26 -5.03 114.94 109.06 1k5g s ASN 144 Ca -0.16 -0.40 0.25 0.00 -0.71 0.00 0.00 52.86 51.84 1k5g s ASN 144 Cb 0.08 -0.50 1.29 0.00 0.41 0.00 0.00 41.25 42.53 1k5g s ASN 144 CO 0.63 0.32 1.87 0.00 -1.51 0.00 0.00 177.10 178.41 1k5g h ALA 145 N 5.29 2.54 0.00 0.60 0.00 -1.89 0.22 119.26 126.02 1k5g h ALA 145 Ca -0.45 -0.00 -0.06 0.00 0.00 0.00 0.00 54.91 54.40 1k5g h ALA 145 Cb 1.13 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.94 1k5g h ALA 145 CO 0.48 -0.81 -0.28 1.05 0.00 0.00 0.00 179.25 179.68 1k5g h GLU 146 N 0.19 0.00 -0.18 0.00 -0.00 -1.96 -2.56 114.58 110.07 1k5g h GLU 146 Ca 0.45 0.00 -0.13 0.00 -0.00 0.00 0.00 59.36 59.68 1k5g h GLU 146 Cb 1.46 0.00 -0.01 0.00 -0.00 0.00 0.00 28.75 30.20 1k5g h GLU 146 CO -0.10 0.28 -0.44 -0.91 -0.00 0.00 0.00 179.01 177.84 1k5g h ASN 147 N 0.00 0.47 -0.74 3.06 2.35 -0.97 -1.23 115.58 118.52 1k5g h ASN 147 Ca -0.00 -0.22 -0.05 0.00 -0.55 0.00 0.00 56.30 55.48 1k5g h ASN 147 Cb 0.90 -0.13 -0.03 0.00 0.05 0.00 0.00 38.32 39.10 1k5g h ASN 147 CO 0.04 0.85 0.29 0.00 -1.65 0.00 0.00 177.43 176.96 1k5g h ALA 148 N 1.17 1.09 -0.08 -0.83 0.00 -1.24 -0.63 119.26 118.73 1k5g h ALA 148 Ca 0.03 -0.20 -0.02 0.00 0.00 0.00 0.00 54.91 54.72 1k5g h ALA 148 Cb 0.92 -0.30 -0.00 0.00 0.00 0.00 0.00 17.79 18.42 1k5g h ALA 148 CO 0.08 0.64 -0.01 1.96 0.00 0.00 0.00 179.25 181.92 1k5g h GLN 149 N 1.09 0.15 -0.31 0.00 1.08 -1.25 0.53 115.11 116.41 1k5g h GLN 149 Ca 0.25 -0.06 0.09 0.00 -1.45 0.00 0.00 58.65 57.48 1k5g h GLN 149 Cb 0.23 -0.01 -0.01 0.00 -0.05 0.00 0.00 27.48 27.63 1k5g h GLN 149 CO -0.02 0.46 0.35 0.87 -0.95 0.00 0.00 178.83 179.54 1k5g h LYS 150 N -0.16 0.00 0.00 1.46 1.57 -0.83 0.72 116.57 119.34 1k5g h LYS 150 Ca 0.02 0.00 -0.03 0.00 -1.87 0.00 0.00 60.65 58.77 1k5g h LYS 150 Cb 0.39 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.70 1k5g h LYS 150 CO 0.01 0.00 -0.28 0.35 -0.57 0.00 0.00 179.45 178.96 1k5g h PHE 151 N 0.00 0.00 -0.76 -1.35 3.57 -0.44 -3.11 116.94 114.85 1k5g h PHE 151 Ca 0.15 0.00 0.11 0.00 3.53 0.00 0.00 57.97 61.75 1k5g h PHE 151 Cb 0.84 0.00 -0.08 0.00 2.79 0.00 0.00 35.95 39.51 1k5g h PHE 151 CO 0.00 0.35 0.38 -0.22 -2.23 0.00 0.00 178.31 176.59 1k5g h LYS 152 N -1.00 0.60 0.27 1.11 3.64 0.10 1.08 116.57 122.38 1k5g h LYS 152 Ca -0.04 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.31 1k5g h LYS 152 Cb 0.47 -0.14 -0.02 0.00 -0.41 0.00 0.00 32.23 32.13 1k5g h LYS 152 CO -0.02 0.40 -0.28 0.00 -2.27 0.00 0.00 179.45 177.28 1k5g h THR 153 N 0.62 0.41 0.00 1.00 1.03 0.26 0.89 112.91 117.12 1k5g h THR 153 Ca 0.38 0.00 -0.05 0.00 -0.01 0.00 0.00 66.41 66.73 1k5g h THR 153 Cb 0.44 0.41 -0.01 0.00 -1.07 0.00 0.00 68.15 67.92 1k5g h THR 153 CO -0.29 0.00 -0.24 0.50 -0.01 0.00 0.00 175.52 175.48 1k5g h LYS 154 N -0.58 0.00 -0.05 0.00 1.63 -1.17 -0.81 116.57 115.59 1k5g h LYS 154 Ca -0.01 0.00 -0.24 0.00 -0.85 0.00 0.00 60.65 59.55 1k5g h LYS 154 Cb 0.54 0.00 0.01 0.00 -0.60 0.00 0.00 32.23 32.18 1k5g h LYS 154 CO -0.06 0.24 -0.93 0.35 -3.45 0.00 0.00 179.45 175.60 1k5g h PHE 155 N 0.00 0.93 0.22 1.91 3.57 0.19 -2.83 116.94 120.94 1k5g h PHE 155 Ca -0.00 -0.47 -0.01 0.00 3.53 0.00 0.00 57.97 61.01 1k5g h PHE 155 Cb 0.46 -0.12 0.00 0.00 2.79 0.00 0.00 35.95 39.08 1k5g h PHE 155 CO 0.00 1.30 -0.11 1.49 -2.23 0.00 0.00 178.31 178.76 1k5g h GLU 156 N 0.40 -0.29 0.00 1.11 4.57 0.13 0.28 114.58 120.77 1k5g h GLU 156 Ca -0.09 0.02 0.00 0.00 -1.18 0.00 0.00 59.36 58.11 1k5g h GLU 156 Cb 1.57 0.07 0.00 0.00 -0.16 0.00 0.00 28.75 30.22 1k5g h GLU 156 CO 0.18 0.07 0.11 1.05 -1.18 0.00 0.00 179.01 179.24 1k5g h GLU 157 N -0.91 0.00 0.03 1.92 4.11 -1.30 1.05 114.58 119.48 1k5g h GLU 157 Ca -0.03 0.00 -0.30 0.00 0.07 0.00 0.00 59.36 59.10 1k5g h GLU 157 Cb 0.50 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.71 1k5g h GLU 157 CO 0.05 0.00 -1.68 0.00 0.07 0.00 0.00 179.01 177.45 1k5g h ARG 159 N 0.02 0.00 0.06 0.00 1.12 0.47 -3.21 114.38 112.84 1k5g h ARG 159 Ca -0.28 0.00 -0.00 0.00 -1.11 0.00 0.00 59.98 58.59 1k5g h ARG 159 Cb 2.00 0.00 0.00 0.00 -0.01 0.00 0.00 29.97 31.96 1k5g h ARG 159 CO 0.09 0.61 -0.03 -0.22 -3.11 0.00 0.00 179.97 177.31 1k5g h LYS 160 N 0.00 -0.08 -0.24 0.20 3.64 -0.72 -3.06 116.57 116.31 1k5g h LYS 160 Ca -0.01 0.01 0.07 0.00 -1.27 0.00 0.00 60.65 59.45 1k5g h LYS 160 Cb 1.12 0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 32.95 1k5g h LYS 160 CO 0.08 0.46 0.76 1.49 -2.27 0.00 0.00 179.45 179.97 1k5g h GLU 161 N -0.71 0.00 0.00 1.90 4.81 -1.53 0.64 114.58 119.70 1k5g h GLU 161 Ca -0.01 0.00 -0.28 0.00 -0.13 0.00 0.00 59.36 58.94 1k5g h GLU 161 Cb 0.58 0.00 -0.05 0.00 0.63 0.00 0.00 28.75 29.91 1k5g h GLU 161 CO 0.01 0.00 -2.05 -0.89 -0.73 0.00 0.00 179.01 175.35 1k5g n ILE 162 N -2.91 1.26 0.08 2.32 5.41 -1.20 -2.33 119.36 121.99 1k5g n ILE 162 Ca 0.04 -0.78 -0.08 0.00 1.00 0.00 0.00 62.75 62.93 1k5g n ILE 162 Cb 0.85 -0.58 0.01 0.00 -0.71 0.00 0.00 39.64 39.22 1k5g n ILE 162 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 176.55 176.47 1k5g h GLU 163 N 0.00 0.21 -0.00 0.38 4.81 0.30 -2.92 114.58 117.37 1k5g h GLU 163 Ca -0.37 -0.21 -0.00 0.00 -0.13 0.00 0.00 59.36 58.64 1k5g h GLU 163 Cb 1.97 0.06 0.00 0.00 0.63 0.00 0.00 28.75 31.40 1k5g h GLU 163 CO 0.04 0.92 -0.01 0.93 -0.73 0.00 0.00 179.01 180.17 1k5g h GLU 164 N 0.13 0.01 -0.01 1.92 5.08 -1.15 -3.31 114.58 117.24 1k5g h GLU 164 Ca -0.04 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.32 1k5g h GLU 164 Cb 1.43 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.68 1k5g h GLU 164 CO 0.13 0.61 -0.01 -2.13 -1.00 0.00 0.00 179.01 176.62 1k5g n ARG 165 N -4.79 -0.00 -1.48 2.33 0.63 -0.99 -3.99 116.66 108.37 1k5g n ARG 165 Ca -0.09 1.00 -0.44 0.00 -0.92 0.00 0.00 57.85 57.40 1k5g n ARG 165 Cb 0.31 -1.49 -0.08 0.00 0.45 0.00 0.00 32.46 31.64 1k5g n ARG 165 CO 0.00 0.00 0.00 -1.91 -2.51 0.00 0.00 177.63 173.21 1k5g n GLU 166 N -3.02 0.78 -0.04 -0.14 0.00 -1.10 -5.08 120.64 112.03 1k5g n GLU 166 Ca 0.00 0.13 0.00 0.00 0.00 0.00 0.00 57.16 57.29 1k5g n GLU 166 Cb 0.00 -2.48 0.00 0.00 0.00 0.00 0.00 31.44 28.96 1k5g n GLU 166 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.13 178.76