#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 -1.27 1.20 6.17 -2.13 -3.40 115.15 114.24 1k5g h HIS 23 Ca 0.00 0.03 -0.21 0.00 0.71 0.00 0.00 60.37 60.91 1k5g h HIS 23 Cb 0.00 0.62 -0.21 0.00 2.52 0.00 0.00 27.41 30.33 1k5g h HIS 23 CO 0.00 -0.61 -0.56 0.34 0.71 0.00 0.00 177.93 177.81 1k5g s ASP 24 N -4.60 -0.83 0.12 3.26 2.15 -1.26 -5.14 116.67 110.38 1k5g s ASP 24 Ca -0.17 -1.64 -0.34 0.00 0.43 0.00 0.00 52.55 50.83 1k5g s ASP 24 Cb 0.06 1.48 -0.17 0.00 -0.30 0.00 0.00 42.92 43.99 1k5g s ASP 24 CO 0.61 -0.12 1.02 -2.65 -0.17 0.00 0.00 175.17 173.86 1k5g n PRO 25 N 3.45 0.60 -4.22 4.34 -0.02 -1.26 -4.95 135.00 132.93 1k5g n PRO 25 Ca 0.17 0.21 -0.34 0.00 -2.02 0.00 0.00 63.50 61.52 1k5g n PRO 25 Cb 0.54 -1.62 -0.12 0.00 -0.02 0.00 0.00 33.50 32.28 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 -0.35 3.65 -0.02 -0.52 2.00 -1.26 -5.10 119.66 118.07 1k5g s GLN 26 Ca 0.77 -0.52 0.03 0.00 -2.00 0.00 0.00 55.36 53.64 1k5g s GLN 26 Cb -0.99 -3.00 -0.00 0.00 0.80 0.00 0.00 33.01 29.81 1k5g s GLN 26 CO 0.54 0.13 -0.09 -0.06 -0.50 0.00 0.00 175.29 175.31 1k5g s PHE 27 N 0.69 0.86 -0.31 1.67 0.40 -1.26 -5.11 117.98 114.91 1k5g s PHE 27 Ca -0.01 -0.19 -0.27 0.00 -0.60 0.00 0.00 56.93 55.87 1k5g s PHE 27 Cb -0.14 -0.59 0.01 0.00 0.51 0.00 0.00 43.02 42.81 1k5g s PHE 27 CO 0.02 -0.05 0.95 -1.83 0.70 0.00 0.00 175.22 175.01 1k5g s GLU 28 N -0.01 4.03 0.07 0.44 -1.05 -1.26 -4.96 118.70 115.96 1k5g s GLU 28 Ca 0.00 0.88 -0.14 0.00 -0.15 0.00 0.00 54.97 55.56 1k5g s GLU 28 Cb -0.06 -3.73 -0.08 0.00 -0.44 0.00 0.00 34.13 29.82 1k5g s GLU 28 CO -0.00 -0.79 0.31 -2.30 0.95 0.00 0.00 175.26 173.42 1k5g n PRO 29 N 6.56 0.00 0.03 -4.83 -0.02 -1.26 -4.93 135.00 130.55 1k5g n PRO 29 Ca 0.08 0.00 -0.05 0.00 -2.02 0.00 0.00 63.50 61.52 1k5g n PRO 29 Cb 0.47 -0.52 -0.10 0.00 -0.02 0.00 0.00 33.50 33.33 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 0.70 0.99 -4.46 4.25 2.04 -2.08 -3.48 117.51 115.48 1k5g h ILE 30 Ca -0.16 -2.67 -0.22 0.00 1.00 0.00 0.00 64.86 62.81 1k5g h ILE 30 Cb 0.66 2.44 -0.15 0.00 -0.74 0.00 0.00 36.82 39.04 1k5g h ILE 30 CO 0.27 0.57 -0.63 0.68 0.00 0.00 0.00 178.15 179.04 1k5g s VAL 31 N -2.74 0.09 -0.29 1.67 -7.23 -1.26 -5.13 120.40 105.51 1k5g s VAL 31 Ca -0.02 -1.96 0.02 0.00 -1.81 0.00 0.00 61.98 58.21 1k5g s VAL 31 Cb 0.09 -2.30 0.08 0.00 0.56 0.00 0.00 36.38 34.81 1k5g s VAL 31 CO 0.81 -0.22 -0.01 -0.55 -0.31 0.00 0.00 175.10 174.83 1k5g s SER 32 N -3.12 4.34 -0.23 4.85 0.15 -1.26 -5.09 113.70 113.33 1k5g s SER 32 Ca 0.32 -1.65 -0.02 0.00 0.70 0.00 0.00 55.95 55.30 1k5g s SER 32 Cb 0.07 -1.38 0.01 0.00 -1.71 0.00 0.00 66.02 63.02 1k5g s SER 32 CO 0.07 -0.30 -0.07 -0.76 1.20 0.00 0.00 173.24 173.38 1k5g s LEU 33 N 1.18 2.97 0.46 3.45 1.43 -1.26 -5.10 118.68 121.81 1k5g s LEU 33 Ca 0.02 -0.65 -0.25 0.00 -1.03 0.00 0.00 54.13 52.22 1k5g s LEU 33 Cb -0.19 -1.68 -0.08 0.00 0.03 0.00 0.00 46.19 44.27 1k5g s LEU 33 CO -0.09 -0.07 1.38 -2.65 0.23 0.00 0.00 176.35 175.14 1k5g n PRO 34 N 4.72 2.07 -1.46 1.29 -0.02 -1.26 -4.95 135.00 135.39 1k5g n PRO 34 Ca -0.18 0.74 -0.37 0.00 -2.02 0.00 0.00 63.50 61.68 1k5g n PRO 34 Cb 0.49 -2.56 0.07 0.00 -0.02 0.00 0.00 33.50 31.48 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 -0.28 0.62 -3.73 -0.52 4.07 -1.26 -4.99 120.64 114.54 1k5g n GLU 35 Ca 0.06 0.26 -0.14 0.00 -0.06 0.00 0.00 57.16 57.28 1k5g n GLU 35 Cb 0.42 -2.09 -0.09 0.00 -0.06 0.00 0.00 31.44 29.62 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 -2.90 0.64 -0.43 5.31 0.74 -1.26 -5.12 119.66 116.65 1k5g s GLN 36 Ca 0.73 0.05 -0.17 0.00 0.05 0.00 0.00 55.36 56.02 1k5g s GLN 36 Cb -0.38 0.29 0.03 0.00 1.10 0.00 0.00 33.01 34.05 1k5g s GLN 36 CO 0.50 -0.16 0.45 -1.21 -0.55 0.00 0.00 175.29 174.32 1k5g s GLU 37 N -0.89 3.09 -0.28 1.67 2.02 -1.26 -5.04 118.70 118.01 1k5g s GLU 37 Ca -0.10 -0.79 -0.16 0.00 0.02 0.00 0.00 54.97 53.95 1k5g s GLU 37 Cb -0.04 -3.98 -0.03 0.00 0.10 0.00 0.00 34.13 30.18 1k5g s GLU 37 CO 0.04 -0.88 0.42 0.96 0.02 0.00 0.00 175.26 175.82 1k5g s ILE 38 N 2.15 5.13 0.73 -1.63 -5.25 -1.26 -5.08 121.20 115.99 1k5g s ILE 38 Ca 0.12 0.62 -0.09 0.00 -0.99 0.00 0.00 60.65 60.30 1k5g s ILE 38 Cb -0.17 -3.76 0.05 0.00 2.95 0.00 0.00 42.46 41.53 1k5g s ILE 38 CO 0.13 0.10 1.07 -0.54 -1.79 0.00 0.00 174.94 173.92 1k5g s LYS 39 N 2.16 2.33 -0.00 0.37 -0.14 -1.26 -5.02 119.74 118.18 1k5g s LYS 39 Ca 0.17 0.04 0.07 0.00 -1.36 0.00 0.00 55.97 54.89 1k5g s LYS 39 Cb -0.16 -2.08 -0.09 0.00 -1.68 0.00 0.00 37.83 33.82 1k5g s LYS 39 CO 0.10 -1.26 0.27 2.41 -0.76 0.00 0.00 175.35 176.12 1k5g n THR 40 N -3.03 0.00 -2.16 2.17 -1.04 -1.26 -4.95 114.28 104.01 1k5g n THR 40 Ca 0.07 -0.28 -0.20 0.00 -2.04 0.00 0.00 64.05 61.60 1k5g n THR 40 Cb 0.60 0.81 -0.03 0.00 -1.82 0.00 0.00 70.33 69.89 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 -1.34 -1.71 -0.10 -4.42 4.32 -1.26 -4.75 117.00 107.74 1k5g n LEU 41 Ca 0.01 0.16 0.02 0.00 -0.02 0.00 0.00 56.01 56.18 1k5g n LEU 41 Cb 0.14 -2.80 0.03 0.00 -1.62 0.00 0.00 43.42 39.17 1k5g n LEU 41 CO 0.15 -0.45 0.42 1.21 -1.22 0.00 0.00 177.39 177.50 1k5g n GLU 42 N -2.78 1.40 0.02 3.23 2.13 -1.26 -4.79 120.64 118.59 1k5g n GLU 42 Ca -0.22 -1.45 -0.19 0.00 0.66 0.00 0.00 57.16 55.95 1k5g n GLU 42 Cb 0.67 -0.93 -0.09 0.00 0.27 0.00 0.00 31.44 31.36 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 0.73 -1.07 5.31 3.07 -2.00 -2.98 114.58 117.64 1k5g h GLU 43 Ca 0.00 -0.71 -0.12 0.00 -0.50 0.00 0.00 59.36 58.03 1k5g h GLU 43 Cb 0.88 0.18 -0.07 0.00 -0.84 0.00 0.00 28.75 28.91 1k5g h GLU 43 CO 0.00 1.30 0.15 -0.25 -1.40 0.00 0.00 179.01 178.81 1k5g n ASP 44 N -3.90 3.43 0.00 1.42 8.00 -1.26 -4.80 116.55 119.44 1k5g n ASP 44 Ca -0.10 -2.39 0.00 0.00 0.71 0.00 0.00 54.79 53.01 1k5g n ASP 44 Cb 0.83 -0.63 0.00 0.00 -0.02 0.00 0.00 41.12 41.30 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 0.21 0.30 0.00 -1.24 0.28 -1.13 -3.31 120.64 115.76 1k5g n GLU 45 Ca 0.13 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 57.13 1k5g n GLU 45 Cb 0.74 0.00 0.00 0.00 1.43 0.00 0.00 31.44 33.61 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 -3.63 120.64 115.66 1k5g n GLU 46 Ca 0.00 0.00 -0.01 0.00 -0.42 0.00 0.00 57.16 56.73 1k5g n GLU 46 Cb 0.00 0.00 0.01 0.00 -0.57 0.00 0.00 31.44 30.88 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 -1.29 0.11 3.49 2.13 -1.24 -4.95 120.64 118.88 1k5g n GLU 47 Ca 0.00 1.37 -0.13 0.00 0.66 0.00 0.00 57.16 59.05 1k5g n GLU 47 Cb 0.00 -5.44 -0.08 0.00 0.27 0.00 0.00 31.44 26.18 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 0.30 -0.23 -8.70 4.31 3.38 -1.49 -3.45 115.31 109.43 1k5g h LEU 48 Ca -0.05 -0.17 -0.68 0.00 0.09 0.00 0.00 57.88 57.08 1k5g h LEU 48 Cb 1.02 0.06 -0.26 0.00 0.09 0.00 0.00 40.66 41.57 1k5g h LEU 48 CO 0.29 0.05 -0.87 0.12 0.09 0.00 0.00 178.44 178.11 1k5g s PHE 49 N -5.16 2.23 -0.18 1.13 5.36 -1.23 -4.98 117.98 115.15 1k5g s PHE 49 Ca -0.15 -0.41 -0.06 0.00 -0.96 0.00 0.00 56.93 55.36 1k5g s PHE 49 Cb 0.03 -1.34 0.09 0.00 -0.34 0.00 0.00 43.02 41.46 1k5g s PHE 49 CO 0.61 0.12 0.37 0.21 -1.46 0.00 0.00 175.22 175.07 1k5g s LYS 50 N -1.21 0.27 -0.23 10.12 2.20 -1.26 -1.55 119.74 128.08 1k5g s LYS 50 Ca 0.11 0.92 -0.26 0.00 -0.36 0.00 0.00 55.97 56.37 1k5g s LYS 50 Cb -0.10 0.17 0.09 0.00 -1.51 0.00 0.00 37.83 36.48 1k5g s LYS 50 CO 0.02 -0.29 0.80 1.41 -0.36 0.00 0.00 175.35 176.93 1k5g s MET 51 N 2.55 0.79 0.29 4.03 1.75 -0.95 -4.97 119.30 122.79 1k5g s MET 51 Ca 0.00 0.72 -0.23 0.00 -1.25 0.00 0.00 55.69 54.93 1k5g s MET 51 Cb -0.12 0.38 -0.09 0.00 2.84 0.00 0.00 34.83 37.84 1k5g s MET 51 CO -0.12 -0.14 0.85 -0.98 -0.65 0.00 0.00 175.02 173.98 1k5g s ARG 52 N -0.03 4.41 0.07 4.11 1.70 -1.26 0.24 118.95 128.19 1k5g s ARG 52 Ca -0.01 1.11 -0.27 0.00 -0.47 0.00 0.00 55.73 56.09 1k5g s ARG 52 Cb -0.04 -2.79 0.08 0.00 -0.57 0.00 0.00 34.95 31.63 1k5g s ARG 52 CO 0.01 0.31 0.92 0.00 -1.08 0.00 0.00 175.30 175.45 1k5g s ALA 53 N -1.62 -1.74 -0.19 7.88 0.00 0.62 -4.61 121.76 122.11 1k5g s ALA 53 Ca 0.48 0.58 -0.13 0.00 0.00 0.00 0.00 51.96 52.88 1k5g s ALA 53 Cb -0.17 0.54 -0.05 0.00 0.00 0.00 0.00 23.12 23.44 1k5g s ALA 53 CO 0.22 -0.86 0.27 0.21 0.00 0.00 0.00 175.76 175.60 1k5g s LYS 54 N -3.21 4.21 -0.08 0.00 2.20 -0.73 -1.82 119.74 120.31 1k5g s LYS 54 Ca 0.08 0.02 -0.02 0.00 -0.36 0.00 0.00 55.97 55.69 1k5g s LYS 54 Cb -0.01 -3.46 -0.03 0.00 -1.51 0.00 0.00 37.83 32.81 1k5g s LYS 54 CO -0.04 0.16 0.03 -1.17 -0.36 0.00 0.00 175.35 173.97 1k5g s LEU 55 N 0.72 3.72 0.16 5.43 2.96 0.20 -1.04 118.68 130.82 1k5g s LEU 55 Ca 0.15 0.19 0.11 0.00 -0.22 0.00 0.00 54.13 54.35 1k5g s LEU 55 Cb -0.13 -1.89 -0.04 0.00 0.50 0.00 0.00 46.19 44.62 1k5g s LEU 55 CO 0.04 0.37 -0.25 -0.36 -1.32 0.00 0.00 176.35 174.84 1k5g s PHE 56 N -0.94 2.22 0.16 5.38 0.40 0.94 -0.16 117.98 125.98 1k5g s PHE 56 Ca 0.14 -0.38 0.06 0.00 -0.60 0.00 0.00 56.93 56.15 1k5g s PHE 56 Cb -0.11 -1.15 -0.04 0.00 0.51 0.00 0.00 43.02 42.22 1k5g s PHE 56 CO 0.04 0.39 0.05 0.50 0.70 0.00 0.00 175.22 176.90 1k5g s ARG 57 N -2.35 2.63 -0.24 0.44 3.00 0.16 -2.48 118.95 120.11 1k5g s ARG 57 Ca 0.16 -0.96 -0.06 0.00 -1.00 0.00 0.00 55.73 53.87 1k5g s ARG 57 Cb -0.09 -2.51 -0.01 0.00 0.00 0.00 0.00 34.95 32.34 1k5g s ARG 57 CO 0.07 0.48 0.02 0.12 0.00 0.00 0.00 175.30 176.00 1k5g s PHE 58 N -1.67 3.04 0.00 5.12 2.19 -1.00 -1.29 117.98 124.36 1k5g s PHE 58 Ca 0.29 -0.75 0.00 0.00 0.33 0.00 0.00 56.93 56.79 1k5g s PHE 58 Cb -0.10 -2.18 0.00 0.00 -1.31 0.00 0.00 43.02 39.43 1k5g s PHE 58 CO 0.20 -0.48 0.00 0.00 1.83 0.00 0.00 175.22 176.77 1k5g n ALA 59 N 4.85 0.00 0.00 11.12 0.00 0.41 -4.85 120.51 132.05 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 -3.62 0.00 2.88 -1.26 -4.59 113.62 107.03 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 4.37 0.00 -1.46 4.07 -1.26 -4.23 120.64 122.13 1k5g n GLU 61 Ca 0.00 -3.60 0.00 0.00 -0.06 0.00 0.00 57.16 53.50 1k5g n GLU 61 Cb 0.00 -2.70 0.00 0.00 -0.06 0.00 0.00 31.44 28.68 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 2.20 0.51 0.00 4.31 4.13 -1.26 -4.97 115.26 120.18 1k5g n ASN 62 Ca 0.54 -0.76 0.00 0.00 1.68 0.00 0.00 54.58 56.04 1k5g n ASN 62 Cb 0.28 0.45 0.00 0.00 -1.54 0.00 0.00 39.78 38.97 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 -0.45 0.00 -4.09 6.41 9.92 -1.26 -4.82 116.55 122.25 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 0.01 -1.40 -0.10 0.00 -0.64 0.00 0.00 41.12 38.99 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 5.22 -0.83 0.64 1.02 -1.26 -5.03 118.68 118.44 1k5g s LEU 64 Ca 0.00 -2.78 -0.20 0.00 0.02 0.00 0.00 54.13 51.17 1k5g s LEU 64 Cb 0.00 -1.85 -0.19 0.00 0.02 0.00 0.00 46.19 44.17 1k5g s LEU 64 CO 0.00 -0.38 2.16 -2.65 0.02 0.00 0.00 176.35 175.50 1k5g n PRO 65 N 3.58 0.29 -4.43 1.29 -0.02 -1.26 -4.77 135.00 129.68 1k5g n PRO 65 Ca 0.07 -0.82 -0.23 0.00 -2.02 0.00 0.00 63.50 60.50 1k5g n PRO 65 Cb 0.38 -2.99 -0.10 0.00 -0.02 0.00 0.00 33.50 30.77 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 8.11 1.57 -0.36 -0.52 2.02 -1.26 -4.93 118.70 123.32 1k5g s GLU 66 Ca 0.89 -1.68 -0.12 0.00 0.02 0.00 0.00 54.97 54.08 1k5g s GLU 66 Cb -0.24 -1.64 0.01 0.00 0.10 0.00 0.00 34.13 32.37 1k5g s GLU 66 CO 0.19 0.31 0.23 -1.58 0.02 0.00 0.00 175.26 174.43 1k5g s TRP 67 N -2.45 3.22 -0.17 1.61 0.52 -1.26 0.16 118.94 120.57 1k5g s TRP 67 Ca 0.26 -0.60 -0.13 0.00 0.02 0.00 0.00 56.10 55.65 1k5g s TRP 67 Cb -0.05 -2.47 -0.05 0.00 -1.15 0.00 0.00 33.47 29.76 1k5g s TRP 67 CO 0.12 -0.52 0.25 0.15 0.02 0.00 0.00 176.95 176.97 1k5g s LYS 68 N 1.64 4.23 0.57 4.98 1.02 -0.41 -4.92 119.74 126.86 1k5g s LYS 68 Ca 0.04 0.02 -0.20 0.00 0.02 0.00 0.00 55.97 55.85 1k5g s LYS 68 Cb -0.18 -3.42 -0.05 0.00 -0.52 0.00 0.00 37.83 33.66 1k5g s LYS 68 CO 0.08 0.26 1.11 0.39 -0.92 0.00 0.00 175.35 176.27 1k5g n GLU 69 N 3.55 1.18 -0.01 1.68 1.02 -1.26 0.41 120.64 127.21 1k5g n GLU 69 Ca -0.13 0.45 -0.01 0.00 -0.02 0.00 0.00 57.16 57.45 1k5g n GLU 69 Cb 0.52 -2.30 -0.01 0.00 -0.02 0.00 0.00 31.44 29.63 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 -0.99 1.44 0.00 3.49 3.00 0.78 -4.59 116.66 119.79 1k5g n ARG 70 Ca 0.13 0.01 0.00 0.00 -0.00 0.00 0.00 57.85 57.98 1k5g n ARG 70 Cb 0.46 -1.03 0.00 0.00 0.00 0.00 0.00 32.46 31.89 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 3.24 1.28 2.84 5.14 0.00 -0.93 -4.87 105.19 111.89 1k5g n GLY 71 Ca -0.02 -0.73 -0.28 0.00 0.00 0.00 0.00 46.02 44.99 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 0.93 0.00 2.61 2.01 -1.26 0.59 115.64 118.52 1k5g s THR 72 Ca 0.00 -0.62 0.00 0.00 0.31 0.00 0.00 61.69 61.38 1k5g s THR 72 Cb 0.00 -1.21 0.00 0.00 0.01 0.00 0.00 72.50 71.30 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 4.92 0.83 3.67 4.40 0.00 -0.75 -1.52 105.19 116.73 1k5g n GLY 73 Ca -0.11 -0.75 -0.43 0.00 0.00 0.00 0.00 46.02 44.74 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 0.20 7.10 0.18 1.61 -0.00 -1.24 -0.27 116.67 124.25 1k5g s ASP 74 Ca 0.00 1.37 -0.18 0.00 -0.00 0.00 0.00 52.55 53.74 1k5g s ASP 74 Cb 0.00 -2.53 -0.08 0.00 -0.00 0.00 0.00 42.92 40.31 1k5g s ASP 74 CO 0.00 -0.59 0.65 -0.69 -0.00 0.00 0.00 175.17 174.54 1k5g s VAL 75 N 2.82 4.68 0.01 -1.27 1.01 0.14 -3.73 120.40 124.05 1k5g s VAL 75 Ca 0.44 1.13 0.01 0.00 0.00 0.00 0.00 61.98 63.56 1k5g s VAL 75 Cb -0.16 -3.83 -0.01 0.00 0.00 0.00 0.00 36.38 32.38 1k5g s VAL 75 CO 0.09 0.27 -0.03 -0.54 0.00 0.00 0.00 175.10 174.89 1k5g s LYS 76 N -1.85 0.25 -0.19 2.72 1.02 -0.66 -2.24 119.74 118.79 1k5g s LYS 76 Ca 0.39 -0.30 -0.03 0.00 0.02 0.00 0.00 55.97 56.05 1k5g s LYS 76 Cb -0.17 -0.11 -0.01 0.00 -0.52 0.00 0.00 37.83 37.01 1k5g s LYS 76 CO 0.20 0.02 -0.05 -0.51 -0.92 0.00 0.00 175.35 174.10 1k5g s LEU 77 N -0.60 2.98 -0.04 3.17 1.43 -0.60 -0.85 118.68 124.16 1k5g s LEU 77 Ca -0.05 -0.31 0.05 0.00 -1.03 0.00 0.00 54.13 52.79 1k5g s LEU 77 Cb -0.04 -1.74 -0.01 0.00 0.03 0.00 0.00 46.19 44.43 1k5g s LEU 77 CO -0.00 0.05 -0.20 -0.76 0.23 0.00 0.00 176.35 175.67 1k5g s LEU 78 N 1.07 1.98 0.08 1.79 1.43 0.07 -1.07 118.68 124.03 1k5g s LEU 78 Ca 0.01 -0.40 0.07 0.00 -1.03 0.00 0.00 54.13 52.78 1k5g s LEU 78 Cb -0.15 -1.09 -0.04 0.00 0.03 0.00 0.00 46.19 44.94 1k5g s LEU 78 CO -0.00 0.19 -0.12 -0.75 0.23 0.00 0.00 176.35 175.90 1k5g s LYS 79 N -0.09 2.15 -0.26 1.70 2.20 -1.26 0.32 119.74 124.49 1k5g s LYS 79 Ca -0.02 -0.98 -0.17 0.00 -0.36 0.00 0.00 55.97 54.44 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 0.53 0.48 -1.58 -0.36 0.00 0.00 175.35 174.43 1k5g s HIS 80 N -1.11 3.26 0.12 4.03 5.65 0.99 -3.86 115.29 124.37 1k5g s HIS 80 Ca 0.19 0.57 -0.32 0.00 0.25 0.00 0.00 55.06 55.75 1k5g s HIS 80 Cb -0.11 -2.68 -0.10 0.00 -1.18 0.00 0.00 32.58 28.51 1k5g s HIS 80 CO 0.11 -0.27 1.57 0.87 -0.65 0.00 0.00 174.74 176.37 1k5g h LYS 81 N 8.06 -0.60 0.00 2.88 1.57 -1.62 -3.11 116.57 123.76 1k5g h LYS 81 Ca -0.30 0.04 0.00 0.00 -1.87 0.00 0.00 60.65 58.52 1k5g h LYS 81 Cb 1.15 0.14 0.00 0.00 0.08 0.00 0.00 32.23 33.59 1k5g h LYS 81 CO 0.69 -0.40 0.00 0.39 -0.57 0.00 0.00 179.45 179.57 1k5g n GLU 82 N -5.46 0.00 0.00 3.15 -0.58 -1.26 -4.73 120.64 111.76 1k5g n GLU 82 Ca -0.06 0.49 0.00 0.00 -0.42 0.00 0.00 57.16 57.17 1k5g n GLU 82 Cb 0.39 -1.28 0.00 0.00 -0.57 0.00 0.00 31.44 29.98 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 -1.67 2.13 0.00 3.49 5.02 -1.18 -5.06 118.16 120.89 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 0.02 0.72 0.00 -1.20 -4.65 105.19 105.07 1k5g n GLY 84 Ca 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 46.02 46.02 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 -1.67 -0.64 -3.04 4.61 0.00 -1.26 -2.89 120.51 115.62 1k5g n ALA 85 Ca 0.00 0.00 -0.25 0.00 0.00 0.00 0.00 53.44 53.19 1k5g n ALA 85 Cb 0.13 -0.01 -0.16 0.00 0.00 0.00 0.00 19.45 19.41 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 -0.00 1.31 0.26 0.00 1.01 -1.25 -0.00 121.20 122.53 1k5g s ILE 86 Ca 0.00 -0.63 0.02 0.00 0.00 0.00 0.00 60.65 60.04 1k5g s ILE 86 Cb -0.01 -1.14 -0.05 0.00 0.01 0.00 0.00 42.46 41.27 1k5g s ILE 86 CO 0.00 0.38 0.08 0.00 0.00 0.00 0.00 174.94 175.40 1k5g s ARG 87 N 0.19 1.44 -0.14 2.79 1.70 0.15 -0.75 118.95 124.32 1k5g s ARG 87 Ca -0.06 -1.77 -0.04 0.00 -0.47 0.00 0.00 55.73 53.38 1k5g s ARG 87 Cb -0.12 -0.40 -0.03 0.00 -0.57 0.00 0.00 34.95 33.83 1k5g s ARG 87 CO 0.02 -0.25 -0.01 -1.17 -1.08 0.00 0.00 175.30 172.82 1k5g s LEU 88 N -3.34 3.45 -0.10 -1.89 0.20 0.80 -0.75 118.68 117.05 1k5g s LEU 88 Ca 0.36 -0.02 -0.03 0.00 0.69 0.00 0.00 54.13 55.14 1k5g s LEU 88 Cb 0.08 -1.83 0.04 0.00 -0.43 0.00 0.00 46.19 44.05 1k5g s LEU 88 CO 0.13 0.23 0.06 -0.22 -0.29 0.00 0.00 176.35 176.25 1k5g s LEU 89 N 0.03 0.37 0.09 -0.68 2.96 -0.03 -1.88 118.68 119.54 1k5g s LEU 89 Ca 0.02 -0.23 0.10 0.00 -0.22 0.00 0.00 54.13 53.79 1k5g s LEU 89 Cb -0.13 -0.26 -0.04 0.00 0.50 0.00 0.00 46.19 46.26 1k5g s LEU 89 CO 0.02 -0.28 -0.24 -0.32 -1.32 0.00 0.00 176.35 174.21 1k5g s MET 90 N 2.10 1.67 0.01 1.98 1.75 0.66 -1.65 119.30 125.82 1k5g s MET 90 Ca 0.04 -1.20 0.03 0.00 -1.25 0.00 0.00 55.69 53.31 1k5g s MET 90 Cb -0.14 -2.00 -0.01 0.00 2.84 0.00 0.00 34.83 35.52 1k5g s MET 90 CO -0.06 0.49 -0.11 1.03 -0.65 0.00 0.00 175.02 175.72 1k5g s ARG 91 N -1.73 0.79 0.50 4.11 0.52 -1.24 -0.85 118.95 121.05 1k5g s ARG 91 Ca 0.14 -0.48 -0.15 0.00 -0.52 0.00 0.00 55.73 54.71 1k5g s ARG 91 Cb -0.10 -0.76 -0.07 0.00 0.52 0.00 0.00 34.95 34.54 1k5g s ARG 91 CO 0.05 0.20 0.95 1.03 0.02 0.00 0.00 175.30 177.55 1k5g s ARG 92 N -0.58 3.90 0.81 3.54 0.52 -0.28 -3.67 118.95 123.19 1k5g s ARG 92 Ca 0.02 0.85 -0.13 0.00 -0.52 0.00 0.00 55.73 55.95 1k5g s ARG 92 Cb -0.05 -2.18 0.08 0.00 0.52 0.00 0.00 34.95 33.32 1k5g s ARG 92 CO 0.00 -0.24 1.18 -0.51 0.02 0.00 0.00 175.30 175.76 1k5g s ASP 93 N -3.14 3.67 0.00 0.23 -0.00 -0.58 -1.05 116.67 115.80 1k5g s ASP 93 Ca 0.57 2.29 0.00 0.00 -0.00 0.00 0.00 52.55 55.41 1k5g s ASP 93 Cb -0.10 -2.58 0.00 0.00 -0.00 0.00 0.00 42.92 40.24 1k5g s ASP 93 CO 0.32 -2.61 0.00 0.29 -0.00 0.00 0.00 175.17 173.17 1k5g n LYS 94 N -3.37 0.00 0.10 8.23 4.01 -1.26 -3.77 118.16 122.10 1k5g n LYS 94 Ca 0.13 0.00 -0.03 0.00 -0.51 0.00 0.00 58.31 57.90 1k5g n LYS 94 Cb 0.51 0.00 0.19 0.00 -0.51 0.00 0.00 35.03 35.22 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 1.34 0.00 -0.18 1.03 -2.00 -3.47 112.91 109.63 1k5g h THR 95 Ca 0.00 -1.70 0.00 0.00 -0.01 0.00 0.00 66.41 64.70 1k5g h THR 95 Cb 0.00 1.82 0.00 0.00 -1.07 0.00 0.00 68.15 68.90 1k5g h THR 95 CO 0.00 0.50 0.00 0.18 -0.01 0.00 0.00 175.52 176.19 1k5g n LEU 96 N -3.96 0.73 -4.76 0.00 4.32 -0.21 -4.97 117.00 108.14 1k5g n LEU 96 Ca -0.02 0.00 -0.36 0.00 -0.02 0.00 0.00 56.01 55.61 1k5g n LEU 96 Cb 0.53 -1.83 0.01 0.00 -1.62 0.00 0.00 43.42 40.52 1k5g n LEU 96 CO 0.42 -0.67 0.84 -0.54 -1.22 0.00 0.00 177.39 176.22 1k5g s LYS 97 N -1.35 3.29 -0.05 3.23 -0.14 -1.26 -4.55 119.74 118.91 1k5g s LYS 97 Ca 0.00 1.79 -0.30 0.00 -1.36 0.00 0.00 55.97 56.10 1k5g s LYS 97 Cb 0.00 -2.10 -0.04 0.00 -1.68 0.00 0.00 37.83 34.01 1k5g s LYS 97 CO 0.00 -0.94 1.28 0.42 -0.76 0.00 0.00 175.35 175.35 1k5g s ILE 98 N -1.60 4.08 -1.03 2.17 1.01 -1.26 -1.12 121.20 123.45 1k5g s ILE 98 Ca 0.72 1.41 0.11 0.00 0.00 0.00 0.00 60.65 62.89 1k5g s ILE 98 Cb -0.29 -3.91 0.24 0.00 0.01 0.00 0.00 42.46 38.51 1k5g s ILE 98 CO 0.33 -0.02 1.14 0.00 0.00 0.00 0.00 174.94 176.39 1k5g s ALA 100 N -0.98 -2.69 -0.43 0.00 0.00 -1.23 -4.85 121.76 111.59 1k5g s ALA 100 Ca 0.20 1.99 0.05 0.00 0.00 0.00 0.00 51.96 54.20 1k5g s ALA 100 Cb 0.11 -1.99 0.19 0.00 0.00 0.00 0.00 23.12 21.42 1k5g s ALA 100 CO 0.15 -0.40 0.72 1.21 0.00 0.00 0.00 175.76 177.45 1k5g s ASN 101 N 1.20 -1.32 0.09 0.00 2.47 -1.24 -0.24 114.94 115.90 1k5g s ASN 101 Ca -0.07 -0.93 -0.03 0.00 0.42 0.00 0.00 52.86 52.24 1k5g s ASN 101 Cb -0.02 1.70 -0.03 0.00 -1.45 0.00 0.00 41.25 41.45 1k5g s ASN 101 CO -0.11 -0.12 0.07 -1.38 -3.72 0.00 0.00 177.10 171.85 1k5g s HIS 102 N 1.57 0.52 0.55 0.43 -3.43 -0.79 -1.65 115.29 112.50 1k5g s HIS 102 Ca 0.20 -0.98 -0.12 0.00 -0.80 0.00 0.00 55.06 53.36 1k5g s HIS 102 Cb -0.01 -0.31 -0.05 0.00 -1.43 0.00 0.00 32.58 30.78 1k5g s HIS 102 CO -0.08 -0.49 0.96 0.71 -2.00 0.00 0.00 174.74 173.85 1k5g s TYR 103 N -3.95 3.56 -0.25 0.38 2.02 -1.26 -0.14 117.35 117.70 1k5g s TYR 103 Ca 0.12 1.26 -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 38.92 1k5g s TYR 103 CO -0.06 -0.50 0.28 0.42 -1.57 0.00 0.00 175.55 174.12 1k5g s ILE 104 N -2.90 5.26 0.45 2.71 1.01 0.07 -4.81 121.20 122.99 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 0.02 0.00 0.01 0.00 0.00 42.46 38.77 1k5g s ILE 104 CO 0.45 0.24 0.56 0.42 0.00 0.00 0.00 174.94 176.61 1k5g s THR 105 N 1.62 2.72 0.08 2.92 -4.23 -1.26 -4.79 115.64 112.71 1k5g s THR 105 Ca 0.12 -1.09 -0.28 0.00 -1.18 0.00 0.00 61.69 59.25 1k5g s THR 105 Cb -0.15 -2.81 -0.16 0.00 1.34 0.00 0.00 72.50 70.72 1k5g s THR 105 CO 0.09 0.00 1.67 -0.65 -0.54 0.00 0.00 174.62 175.19 1k5g h PRO 106 N 0.64 -0.49 -4.50 3.99 0.11 -1.90 -3.29 132.00 126.56 1k5g h PRO 106 Ca -0.38 0.03 -0.71 0.00 0.11 0.00 0.00 66.00 65.05 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 0.47 -0.33 2.65 -1.33 -0.21 0.00 0.00 178.00 179.26 1k5g n MET 107 N -5.32 3.07 -3.56 1.05 2.81 -1.26 -4.85 117.12 109.05 1k5g n MET 107 Ca -0.10 -2.97 -0.16 0.00 -1.81 0.00 0.00 57.70 52.66 1k5g n MET 107 Cb 0.23 -3.29 -0.06 0.00 -0.71 0.00 0.00 33.22 29.39 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 3.07 1.01 -0.15 0.03 0.00 -1.24 -4.98 119.30 117.03 1k5g s MET 108 Ca 0.48 0.07 -0.34 0.00 0.00 0.00 0.00 55.69 55.90 1k5g s MET 108 Cb 0.10 0.47 0.14 0.00 0.00 0.00 0.00 34.83 35.54 1k5g s MET 108 CO -0.03 -0.33 1.31 -1.83 0.00 0.00 0.00 175.02 174.15 1k5g s GLU 109 N -1.54 0.22 -0.19 4.11 1.03 -1.26 -4.99 118.70 116.08 1k5g s GLU 109 Ca -0.10 -0.10 -0.15 0.00 0.03 0.00 0.00 54.97 54.65 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 -0.10 0.36 -0.51 -1.33 0.00 0.00 175.26 173.74 1k5g s LEU 110 N -2.51 4.19 -0.18 1.83 1.43 -1.26 -4.58 118.68 117.59 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 -2.46 0.03 0.00 0.03 0.00 0.00 46.19 43.81 1k5g s LEU 110 CO -0.04 -0.01 -0.15 -0.54 0.23 0.00 0.00 176.35 175.83 1k5g s LYS 111 N 1.01 2.49 0.30 1.70 1.02 -1.18 -4.94 119.74 120.15 1k5g s LYS 111 Ca 0.18 -0.76 -0.26 0.00 0.02 0.00 0.00 55.97 55.15 1k5g s LYS 111 Cb -0.14 -2.39 -0.15 0.00 -0.52 0.00 0.00 37.83 34.63 1k5g s LYS 111 CO 0.07 -0.29 0.55 -2.30 -0.92 0.00 0.00 175.35 172.46 1k5g n PRO 112 N 4.68 0.39 -1.35 -1.68 -0.02 -1.26 -2.18 135.00 133.58 1k5g n PRO 112 Ca -0.18 0.14 -0.38 0.00 -2.02 0.00 0.00 63.50 61.06 1k5g n PRO 112 Cb 0.49 -1.28 -0.02 0.00 -0.02 0.00 0.00 33.50 32.66 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 1.74 6.94 0.00 2.55 5.15 -1.10 -4.80 115.26 125.75 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 0.32 -1.52 0.00 0.00 -0.53 0.00 0.00 39.78 38.05 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 4.41 0.00 -1.65 5.20 0.00 -1.26 -4.40 120.51 122.81 1k5g n ALA 114 Ca 0.68 0.00 -0.32 0.00 0.00 0.00 0.00 53.44 53.80 1k5g n ALA 114 Cb 0.27 0.00 0.03 0.00 0.00 0.00 0.00 19.45 19.74 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 1.85 0.36 0.00 0.00 -1.26 -4.83 107.32 103.43 1k5g s GLY 115 Ca 0.00 0.17 0.00 0.00 0.00 0.00 0.00 44.72 44.89 1k5g s GLY 115 CO 0.00 0.48 0.00 -1.26 0.00 0.00 0.00 173.10 172.32 1k5g n SER 116 N -2.61 -5.51 0.00 1.64 2.88 -1.26 -4.92 113.62 103.84 1k5g n SER 116 Ca 0.08 1.03 0.00 0.00 -1.33 0.00 0.00 58.87 58.65 1k5g n SER 116 Cb 0.53 -2.77 0.00 0.00 -0.75 0.00 0.00 64.21 61.22 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 -1.72 0.55 0.00 -3.46 5.75 -1.26 -4.03 116.55 112.38 1k5g n ASP 117 Ca 0.00 -0.82 0.12 0.00 -0.01 0.00 0.00 54.79 54.08 1k5g n ASP 117 Cb 0.19 0.23 0.71 0.00 -1.03 0.00 0.00 41.12 41.22 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 -0.23 0.87 -4.05 0.11 1.74 -1.26 -4.80 116.66 109.05 1k5g n ARG 118 Ca 0.00 0.00 -0.11 0.00 -0.77 0.00 0.00 57.85 56.97 1k5g n ARG 118 Cb 0.04 -1.43 -0.11 0.00 -1.02 0.00 0.00 32.46 29.94 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 0.46 0.05 7.54 0.00 -1.26 -0.10 121.76 126.46 1k5g s ALA 119 Ca 0.36 -0.77 0.02 0.00 0.00 0.00 0.00 51.96 51.58 1k5g s ALA 119 Cb 0.16 0.09 -0.03 0.00 0.00 0.00 0.00 23.12 23.35 1k5g s ALA 119 CO 0.28 -0.09 -0.08 -1.58 0.00 0.00 0.00 175.76 174.29 1k5g s TRP 120 N -1.63 0.76 0.45 0.00 0.52 -0.48 -2.70 118.94 115.86 1k5g s TRP 120 Ca -0.10 -0.55 0.06 0.00 0.02 0.00 0.00 56.10 55.54 1k5g s TRP 120 Cb -0.08 -0.45 -0.03 0.00 -1.15 0.00 0.00 33.47 31.76 1k5g s TRP 120 CO -0.01 -0.08 0.21 0.14 0.02 0.00 0.00 176.95 177.24 1k5g s VAL 121 N -1.66 2.07 0.00 4.03 -7.23 -0.93 -0.70 120.40 115.98 1k5g s VAL 121 Ca -0.06 -1.68 0.00 0.00 -1.81 0.00 0.00 61.98 58.43 1k5g s VAL 121 Cb -0.08 -2.74 0.00 0.00 0.56 0.00 0.00 36.38 34.12 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 -1.35 0.00 -4.14 2.82 2.14 -1.10 -3.09 117.44 112.72 1k5g n TRP 122 Ca -0.03 0.00 -0.28 0.00 2.07 0.00 0.00 57.50 59.26 1k5g n TRP 122 Cb 0.65 0.00 -0.07 0.00 -0.81 0.00 0.00 31.31 31.08 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 5.11 -0.06 -0.67 3.04 -1.26 -1.96 114.94 119.14 1k5g s ASN 123 Ca 0.00 -0.22 -0.02 0.00 0.04 0.00 0.00 52.86 52.65 1k5g s ASN 123 Cb 0.00 -1.22 0.03 0.00 -1.54 0.00 0.00 41.25 38.52 1k5g s ASN 123 CO 0.00 0.12 0.05 -0.89 -3.04 0.00 0.00 177.10 173.34 1k5g s THR 124 N -1.57 -0.02 0.61 -5.21 2.01 -0.83 -4.91 115.64 105.73 1k5g s THR 124 Ca 0.28 0.29 0.33 0.00 0.31 0.00 0.00 61.69 62.90 1k5g s THR 124 Cb -0.10 -0.28 0.38 0.00 0.01 0.00 0.00 72.50 72.50 1k5g s THR 124 CO 0.20 0.13 2.28 0.45 -0.69 0.00 0.00 174.62 176.99 1k5g h HIS 125 N 8.42 0.00 -0.92 4.92 -0.00 -1.90 -2.95 115.15 122.72 1k5g h HIS 125 Ca -0.14 0.00 0.09 0.00 -0.00 0.00 0.00 60.37 60.33 1k5g h HIS 125 Cb 1.12 0.00 -0.21 0.00 -0.00 0.00 0.00 27.41 28.32 1k5g h HIS 125 CO 0.44 0.00 -0.25 0.00 -0.00 0.00 0.00 177.93 178.12 1k5g s ALA 126 N -4.52 -2.45 0.37 2.45 0.00 -1.26 -4.13 121.76 112.21 1k5g s ALA 126 Ca -0.05 1.62 0.01 0.00 0.00 0.00 0.00 51.96 53.54 1k5g s ALA 126 Cb 0.15 -2.30 -0.02 0.00 0.00 0.00 0.00 23.12 20.94 1k5g s ALA 126 CO 0.51 -1.48 0.57 0.34 0.00 0.00 0.00 175.76 175.70 1k5g s ASP 127 N 2.86 6.16 -0.10 0.00 2.15 0.25 -4.55 116.67 123.44 1k5g s ASP 127 Ca 0.17 0.35 0.24 0.00 0.43 0.00 0.00 52.55 53.74 1k5g s ASP 127 Cb -0.13 -1.84 0.46 0.00 -0.30 0.00 0.00 42.92 41.11 1k5g s ASP 127 CO -0.21 -0.40 1.15 0.33 -0.17 0.00 0.00 175.17 175.87 1k5g n PHE 128 N -1.83 0.46 0.13 -5.34 7.35 -0.66 -1.90 117.46 115.67 1k5g n PHE 128 Ca -0.03 -1.10 0.01 0.00 -0.76 0.00 0.00 57.45 55.57 1k5g n PHE 128 Cb 0.57 -0.18 0.33 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 1.56 1.35 -0.55 3.13 0.00 -1.85 -2.30 119.26 120.61 1k5g h ALA 129 Ca -0.19 -0.30 -0.14 0.00 0.00 0.00 0.00 54.91 54.28 1k5g h ALA 129 Cb 1.66 -0.08 -0.08 0.00 0.00 0.00 0.00 17.79 19.29 1k5g h ALA 129 CO 0.13 0.45 0.13 -0.25 0.00 0.00 0.00 179.25 179.72 1k5g n ASP 130 N -4.16 4.33 -2.73 0.00 8.00 -1.26 -4.68 116.55 116.05 1k5g n ASP 130 Ca -0.01 -3.23 -0.15 0.00 0.71 0.00 0.00 54.79 52.11 1k5g n ASP 130 Cb 0.37 -0.67 -0.00 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 -0.34 -2.70 -3.67 -1.24 1.02 -0.86 -4.93 120.64 107.92 1k5g n GLU 131 Ca 0.34 0.53 -0.14 0.00 -0.02 0.00 0.00 57.16 57.87 1k5g n GLU 131 Cb 1.20 -5.17 -0.14 0.00 -0.02 0.00 0.00 31.44 27.32 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 5.25 1.05 -4.46 0.00 -0.02 -1.26 -4.57 135.00 131.00 1k5g n PRO 133 Ca -0.07 0.19 -0.20 0.00 -2.02 0.00 0.00 63.50 61.40 1k5g n PRO 133 Cb 0.50 -2.76 -0.15 0.00 -0.02 0.00 0.00 33.50 31.07 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 7.30 0.94 -0.50 -0.52 1.02 -0.80 -4.89 119.74 122.30 1k5g s LYS 134 Ca 1.08 -0.37 -0.27 0.00 0.02 0.00 0.00 55.97 56.43 1k5g s LYS 134 Cb -0.62 -0.89 -0.01 0.00 -0.52 0.00 0.00 37.83 35.79 1k5g s LYS 134 CO 0.40 0.19 1.75 -2.14 -0.92 0.00 0.00 175.35 174.63 1k5g s PRO 135 N -0.10 3.01 -0.07 -1.68 0.02 -1.26 -0.58 135.00 134.34 1k5g s PRO 135 Ca 0.02 0.88 0.02 0.00 0.02 0.00 0.00 61.00 61.94 1k5g s PRO 135 Cb -0.06 -4.27 -0.03 0.00 0.02 0.00 0.00 34.50 30.17 1k5g s PRO 135 CO -0.00 -2.27 -0.11 -2.00 -0.33 0.00 0.00 177.00 172.29 1k5g s GLU 136 N 6.25 2.73 -0.54 5.54 2.56 -1.11 -4.99 118.70 129.14 1k5g s GLU 136 Ca 0.69 -0.63 -0.01 0.00 0.00 0.00 0.00 54.97 55.02 1k5g s GLU 136 Cb -0.16 -2.50 0.14 0.00 2.00 0.00 0.00 34.13 33.61 1k5g s GLU 136 CO 0.26 0.58 0.33 -1.17 -0.56 0.00 0.00 175.26 174.70 1k5g s LEU 137 N -0.61 5.06 0.00 2.70 0.20 -1.26 -1.97 118.68 122.80 1k5g s LEU 137 Ca 0.09 -2.64 -0.01 0.00 0.69 0.00 0.00 54.13 52.26 1k5g s LEU 137 Cb -0.11 -1.80 0.03 0.00 -0.43 0.00 0.00 46.19 43.87 1k5g s LEU 137 CO 0.01 -0.39 0.17 0.18 -0.29 0.00 0.00 176.35 176.03 1k5g n LEU 138 N 3.74 0.00 -3.22 -0.68 4.77 -0.83 -2.39 117.00 118.40 1k5g n LEU 138 Ca 0.05 -0.27 0.04 0.00 -0.03 0.00 0.00 56.01 55.79 1k5g n LEU 138 Cb 0.38 -0.12 -0.04 0.00 -2.33 0.00 0.00 43.42 41.31 1k5g n LEU 138 CO 0.33 -0.60 0.96 0.00 -1.33 0.00 0.00 177.39 176.75 1k5g s ALA 139 N -3.26 -3.27 0.05 -1.18 0.00 -1.04 -2.71 121.76 110.36 1k5g s ALA 139 Ca 0.10 1.79 0.07 0.00 0.00 0.00 0.00 51.96 53.92 1k5g s ALA 139 Cb -0.00 -2.28 -0.03 0.00 0.00 0.00 0.00 23.12 20.80 1k5g s ALA 139 CO 0.07 -0.90 -0.18 -1.50 0.00 0.00 0.00 175.76 173.25 1k5g s ILE 140 N 1.90 2.81 -0.04 0.00 2.07 0.13 -0.04 121.20 128.02 1k5g s ILE 140 Ca -0.00 -1.20 0.04 0.00 -1.41 0.00 0.00 60.65 58.07 1k5g s ILE 140 Cb -0.00 -2.19 -0.00 0.00 0.13 0.00 0.00 42.46 40.39 1k5g s ILE 140 CO -0.15 0.32 -0.16 -0.60 -1.91 0.00 0.00 174.94 172.44 1k5g s ARG 141 N -1.49 1.68 0.31 3.50 3.52 -0.21 -1.38 118.95 124.87 1k5g s ARG 141 Ca 0.15 -0.55 0.08 0.00 -0.13 0.00 0.00 55.73 55.28 1k5g s ARG 141 Cb -0.11 -1.46 -0.04 0.00 -1.56 0.00 0.00 34.95 31.79 1k5g s ARG 141 CO 0.06 0.20 0.18 -0.06 -0.81 0.00 0.00 175.30 174.87 1k5g s PHE 142 N 0.12 2.87 0.11 5.12 0.08 0.86 -1.77 117.98 125.37 1k5g s PHE 142 Ca -0.05 -0.26 -0.31 0.00 0.12 0.00 0.00 56.93 56.43 1k5g s PHE 142 Cb -0.12 -1.56 -0.10 0.00 -0.57 0.00 0.00 43.02 40.68 1k5g s PHE 142 CO 0.02 0.38 1.59 1.25 -0.10 0.00 0.00 175.22 178.37 1k5g h LEU 143 N 1.49 -1.16 -8.78 -0.37 5.85 -1.88 -3.43 115.31 107.04 1k5g h LEU 143 Ca -0.45 0.13 -0.69 0.00 0.84 0.00 0.00 57.88 57.70 1k5g h LEU 143 Cb 1.25 0.43 -0.26 0.00 0.37 0.00 0.00 40.66 42.45 1k5g h LEU 143 CO 0.61 -0.48 -0.84 0.20 -0.34 0.00 0.00 178.44 177.59 1k5g s ASN 144 N -4.70 3.49 0.48 1.25 0.01 -1.26 -5.03 114.94 109.18 1k5g s ASN 144 Ca -0.16 -0.39 0.24 0.00 -0.71 0.00 0.00 52.86 51.84 1k5g s ASN 144 Cb 0.07 -0.54 1.28 0.00 0.41 0.00 0.00 41.25 42.48 1k5g s ASN 144 CO 0.63 0.31 1.89 0.00 -1.51 0.00 0.00 177.10 178.42 1k5g h ALA 145 N 5.20 2.50 0.00 0.60 0.00 -1.89 0.25 119.26 125.91 1k5g h ALA 145 Ca -0.45 -0.01 -0.05 0.00 0.00 0.00 0.00 54.91 54.40 1k5g h ALA 145 Cb 1.14 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.94 1k5g h ALA 145 CO 0.48 -0.75 -0.24 1.05 0.00 0.00 0.00 179.25 179.79 1k5g h GLU 146 N 0.19 0.00 -0.20 0.00 -0.00 -1.95 -2.48 114.58 110.15 1k5g h GLU 146 Ca 0.42 0.00 -0.14 0.00 -0.00 0.00 0.00 59.36 59.64 1k5g h GLU 146 Cb 1.36 0.00 -0.01 0.00 -0.00 0.00 0.00 28.75 30.10 1k5g h GLU 146 CO -0.09 0.24 -0.47 -0.91 -0.00 0.00 0.00 179.01 177.78 1k5g h ASN 147 N 0.00 0.55 -0.81 3.06 2.35 -0.93 -1.16 115.58 118.64 1k5g h ASN 147 Ca -0.00 -0.26 -0.03 0.00 -0.55 0.00 0.00 56.30 55.45 1k5g h ASN 147 Cb 0.87 -0.15 -0.04 0.00 0.05 0.00 0.00 38.32 39.05 1k5g h ASN 147 CO 0.03 0.93 0.37 0.00 -1.65 0.00 0.00 177.43 177.12 1k5g h ALA 148 N 1.09 1.12 -0.12 -0.83 0.00 -1.20 -0.69 119.26 118.63 1k5g h ALA 148 Ca 0.02 -0.17 -0.02 0.00 0.00 0.00 0.00 54.91 54.74 1k5g h ALA 148 Cb 0.98 -0.32 -0.00 0.00 0.00 0.00 0.00 17.79 18.44 1k5g h ALA 148 CO 0.09 0.65 -0.01 1.96 0.00 0.00 0.00 179.25 181.93 1k5g h GLN 149 N 1.16 0.22 -0.27 0.00 1.08 -1.25 0.63 115.11 116.68 1k5g h GLN 149 Ca 0.28 -0.08 0.08 0.00 -1.45 0.00 0.00 58.65 57.48 1k5g h GLN 149 Cb 0.14 -0.02 -0.01 0.00 -0.05 0.00 0.00 27.48 27.55 1k5g h GLN 149 CO -0.03 0.49 0.31 0.87 -0.95 0.00 0.00 178.83 179.52 1k5g h LYS 150 N -0.08 0.00 0.00 1.46 1.57 -0.76 0.67 116.57 119.43 1k5g h LYS 150 Ca 0.03 0.00 -0.03 0.00 -1.87 0.00 0.00 60.65 58.78 1k5g h LYS 150 Cb 0.40 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.71 1k5g h LYS 150 CO 0.01 0.00 -0.33 0.35 -0.57 0.00 0.00 179.45 178.91 1k5g h PHE 151 N 0.00 0.00 -0.72 -1.35 3.57 -0.42 -3.12 116.94 114.90 1k5g h PHE 151 Ca 0.13 0.00 0.10 0.00 3.53 0.00 0.00 57.97 61.73 1k5g h PHE 151 Cb 0.74 0.00 -0.08 0.00 2.79 0.00 0.00 35.95 39.41 1k5g h PHE 151 CO 0.00 0.40 0.34 -0.22 -2.23 0.00 0.00 178.31 176.60 1k5g h LYS 152 N -1.00 0.54 0.29 1.11 3.64 0.11 1.15 116.57 122.41 1k5g h LYS 152 Ca -0.05 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.30 1k5g h LYS 152 Cb 0.52 -0.12 -0.02 0.00 -0.41 0.00 0.00 32.23 32.19 1k5g h LYS 152 CO -0.03 0.36 -0.33 0.00 -2.27 0.00 0.00 179.45 177.18 1k5g h THR 153 N 0.56 0.32 0.00 1.00 1.03 0.15 1.10 112.91 117.06 1k5g h THR 153 Ca 0.36 0.00 -0.05 0.00 -0.01 0.00 0.00 66.41 66.72 1k5g h THR 153 Cb 0.43 0.32 -0.01 0.00 -1.07 0.00 0.00 68.15 67.82 1k5g h THR 153 CO -0.30 0.00 -0.22 0.50 -0.01 0.00 0.00 175.52 175.49 1k5g h LYS 154 N -0.66 0.00 0.00 0.00 1.63 -1.24 0.17 116.57 116.48 1k5g h LYS 154 Ca -0.01 0.00 -0.25 0.00 -0.85 0.00 0.00 60.65 59.54 1k5g h LYS 154 Cb 0.61 0.00 0.01 0.00 -0.60 0.00 0.00 32.23 32.25 1k5g h LYS 154 CO -0.09 0.22 -1.01 0.35 -3.45 0.00 0.00 179.45 175.47 1k5g h PHE 155 N 0.00 0.87 0.13 1.91 3.57 0.23 -2.30 116.94 121.36 1k5g h PHE 155 Ca -0.00 -0.48 -0.01 0.00 3.53 0.00 0.00 57.97 61.02 1k5g h PHE 155 Cb 0.44 -0.10 0.00 0.00 2.79 0.00 0.00 35.95 39.08 1k5g h PHE 155 CO 0.00 1.31 -0.06 1.49 -2.23 0.00 0.00 178.31 178.81 1k5g h GLU 156 N 0.33 -0.17 0.00 1.11 4.57 0.18 0.27 114.58 120.87 1k5g h GLU 156 Ca -0.11 0.01 0.00 0.00 -1.18 0.00 0.00 59.36 58.08 1k5g h GLU 156 Cb 1.65 0.04 0.00 0.00 -0.16 0.00 0.00 28.75 30.28 1k5g h GLU 156 CO 0.19 0.30 0.00 -0.85 -1.18 0.00 0.00 179.01 177.47 1k5g n GLU 157 N -4.91 0.15 0.06 1.92 0.28 -0.00 0.66 120.64 118.80 1k5g n GLU 157 Ca -0.08 0.55 -0.20 0.00 -0.16 0.00 0.00 57.16 57.27 1k5g n GLU 157 Cb 0.27 -1.90 -0.15 0.00 1.43 0.00 0.00 31.44 31.10 1k5g n GLU 157 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 1k5g h ARG 159 N 0.09 0.55 0.11 0.00 2.43 0.21 -3.23 114.38 114.54 1k5g h ARG 159 Ca -0.32 -0.26 0.01 0.00 -0.81 0.00 0.00 59.98 58.61 1k5g h ARG 159 Cb 2.06 -0.01 -0.04 0.00 -0.42 0.00 0.00 29.97 31.57 1k5g h ARG 159 CO 0.16 0.83 -0.47 -0.22 -1.51 0.00 0.00 179.97 178.77 1k5g h LYS 160 N 0.27 -0.64 0.00 0.20 3.64 0.15 0.98 116.57 121.16 1k5g h LYS 160 Ca 0.05 0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.47 1k5g h LYS 160 Cb 0.69 0.15 0.00 0.00 -0.41 0.00 0.00 32.23 32.66 1k5g h LYS 160 CO 0.05 -0.43 0.59 1.49 -2.27 0.00 0.00 179.45 178.87 1k5g h GLU 161 N -0.66 0.00 0.05 1.90 4.81 -1.50 0.16 114.58 119.34 1k5g h GLU 161 Ca -0.01 0.00 -0.36 0.00 -0.13 0.00 0.00 59.36 58.87 1k5g h GLU 161 Cb 0.67 0.00 -0.05 0.00 0.63 0.00 0.00 28.75 30.00 1k5g h GLU 161 CO -0.25 0.00 -2.12 -0.89 -0.73 0.00 0.00 179.01 175.02 1k5g n ILE 162 N -2.40 1.61 -0.08 2.32 5.41 0.26 -3.32 119.36 123.16 1k5g n ILE 162 Ca -0.01 -0.70 -0.12 0.00 1.00 0.00 0.00 62.75 62.92 1k5g n ILE 162 Cb 0.60 -1.30 -0.05 0.00 -0.71 0.00 0.00 39.64 38.19 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 0.03 0.48 -0.79 0.38 4.81 0.12 -2.51 114.58 117.10 1k5g h GLU 163 Ca -0.45 -0.21 0.05 0.00 -0.13 0.00 0.00 59.36 58.62 1k5g h GLU 163 Cb 2.03 -0.01 -0.05 0.00 0.63 0.00 0.00 28.75 31.35 1k5g h GLU 163 CO 0.03 0.76 0.52 0.93 -0.73 0.00 0.00 179.01 180.52 1k5g h GLU 164 N 0.20 0.89 0.00 1.92 5.08 -1.60 -3.26 114.58 117.80 1k5g h GLU 164 Ca 0.05 -0.05 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1k5g h GLU 164 Cb 0.61 -0.20 0.00 0.00 0.50 0.00 0.00 28.75 29.66 1k5g h GLU 164 CO 0.03 0.59 0.00 -2.13 -1.00 0.00 0.00 179.01 176.50 1k5g n ARG 165 N -4.47 0.00 -1.82 2.33 0.63 -0.94 -4.41 116.66 107.98 1k5g n ARG 165 Ca 0.11 0.07 -0.42 0.00 -0.92 0.00 0.00 57.85 56.69 1k5g n ARG 165 Cb 0.17 -0.55 -0.03 0.00 0.45 0.00 0.00 32.46 32.50 1k5g n ARG 165 CO 0.00 0.00 0.00 -1.83 -2.51 0.00 0.00 177.63 173.29 1k5g s GLU 166 N -0.15 4.16 0.00 -0.14 1.03 -1.23 -5.10 118.70 117.27 1k5g s GLU 166 Ca 0.00 2.50 0.00 0.00 0.03 0.00 0.00 54.97 57.50 1k5g s GLU 166 Cb 0.00 -3.11 0.00 0.00 -0.80 0.00 0.00 34.13 30.22 1k5g s GLU 166 CO 0.00 -0.68 0.00 1.63 -1.33 0.00 0.00 175.26 174.88