#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1k5d h HIS 23 N 0.00 1.09 -0.12 3.10 2.76 -2.14 -3.43 115.15 116.41 1k5d h HIS 23 Ca 0.00 -0.27 0.16 0.00 -2.20 0.00 0.00 60.37 58.07 1k5d h HIS 23 Cb 0.00 -0.25 -0.17 0.00 1.55 0.00 0.00 27.41 28.53 1k5d h HIS 23 CO 0.00 1.08 -0.06 0.34 -1.30 0.00 0.00 177.93 177.99 1k5d s ASP 24 N -6.75 -0.18 0.37 3.26 2.15 -1.26 -5.15 116.67 109.11 1k5d s ASP 24 Ca -0.11 -0.08 -0.27 0.00 0.43 0.00 0.00 52.55 52.52 1k5d s ASP 24 Cb 0.12 0.34 -0.12 0.00 -0.30 0.00 0.00 42.92 42.97 1k5d s ASP 24 CO 0.87 -0.02 1.24 -2.65 -0.17 0.00 0.00 175.17 174.43 1k5d n PRO 25 N 3.79 1.95 -4.66 4.34 -0.02 -1.26 -4.99 135.00 134.14 1k5d n PRO 25 Ca 0.06 0.69 -0.33 0.00 -2.02 0.00 0.00 63.50 61.89 1k5d n PRO 25 Cb 0.63 -2.28 -0.13 0.00 -0.02 0.00 0.00 33.50 31.70 1k5d n PRO 25 CO 0.00 0.00 0.00 -1.14 1.98 0.00 0.00 175.50 176.34 1k5d s GLN 26 N -1.96 3.20 0.06 -0.52 2.00 -1.26 -5.12 119.66 116.07 1k5d s GLN 26 Ca 0.58 -0.61 -0.01 0.00 -2.00 0.00 0.00 55.36 53.32 1k5d s GLN 26 Cb -0.56 -2.66 -0.04 0.00 0.80 0.00 0.00 33.01 30.55 1k5d s GLN 26 CO 0.60 0.37 -0.03 -0.06 -0.50 0.00 0.00 175.29 175.68 1k5d s PHE 27 N -0.05 0.58 -0.07 1.67 0.40 -1.26 -5.14 117.98 114.11 1k5d s PHE 27 Ca -0.01 -1.07 -0.18 0.00 -0.60 0.00 0.00 56.93 55.07 1k5d s PHE 27 Cb -0.14 -0.41 -0.05 0.00 0.51 0.00 0.00 43.02 42.94 1k5d s PHE 27 CO 0.03 -0.37 0.48 -1.83 0.70 0.00 0.00 175.22 174.24 1k5d s GLU 28 N -3.92 4.25 0.57 0.44 -1.05 -1.26 -5.04 118.70 112.69 1k5d s GLU 28 Ca 0.09 0.49 -0.20 0.00 -0.15 0.00 0.00 54.97 55.20 1k5d s GLU 28 Cb 0.08 -3.37 -0.06 0.00 -0.44 0.00 0.00 34.13 30.34 1k5d s GLU 28 CO -0.09 0.31 1.05 -2.30 0.95 0.00 0.00 175.26 175.18 1k5d n PRO 29 N 3.10 1.10 0.01 -4.83 -0.02 -1.26 -4.93 135.00 128.18 1k5d n PRO 29 Ca -0.09 0.42 0.02 0.00 -2.02 0.00 0.00 63.50 61.84 1k5d n PRO 29 Cb 0.52 -2.23 -0.10 0.00 -0.02 0.00 0.00 33.50 31.67 1k5d n PRO 29 CO 0.00 0.00 0.00 -0.89 1.98 0.00 0.00 175.50 176.59 1k5d n ILE 30 N -1.44 0.89 -3.98 4.25 5.41 -1.26 -4.97 119.36 118.25 1k5d n ILE 30 Ca 0.13 -0.66 -0.09 0.00 1.00 0.00 0.00 62.75 63.13 1k5d n ILE 30 Cb 0.46 -0.48 -0.08 0.00 -0.71 0.00 0.00 39.64 38.83 1k5d n ILE 30 CO 0.00 0.00 0.00 0.68 0.00 0.00 0.00 176.55 177.23 1k5d s VAL 31 N -3.05 0.11 -0.19 1.39 -7.23 -1.26 -5.15 120.40 105.03 1k5d s VAL 31 Ca -0.05 -1.48 0.01 0.00 -1.81 0.00 0.00 61.98 58.65 1k5d s VAL 31 Cb 0.09 -1.69 0.04 0.00 0.56 0.00 0.00 36.38 35.38 1k5d s VAL 31 CO 0.83 -0.52 -0.12 -0.55 -0.31 0.00 0.00 175.10 174.43 1k5d s SER 32 N -2.95 3.31 -0.13 4.85 0.15 -1.26 -5.12 113.70 112.56 1k5d s SER 32 Ca 0.14 -0.83 0.03 0.00 0.70 0.00 0.00 55.95 55.99 1k5d s SER 32 Cb 0.05 -1.27 0.01 0.00 -1.71 0.00 0.00 66.02 63.10 1k5d s SER 32 CO -0.04 -0.12 -0.22 -0.76 1.20 0.00 0.00 173.24 173.30 1k5d s LEU 33 N 1.38 2.15 0.71 3.45 1.43 -1.26 -5.12 118.68 121.42 1k5d s LEU 33 Ca -0.00 -0.57 -0.15 0.00 -1.03 0.00 0.00 54.13 52.37 1k5d s LEU 33 Cb -0.16 -1.45 0.03 0.00 0.03 0.00 0.00 46.19 44.64 1k5d s LEU 33 CO -0.09 0.11 1.20 -2.84 0.23 0.00 0.00 176.35 174.96 1k5d s PRO 34 N 0.65 2.30 0.45 1.29 0.02 -1.26 -4.95 135.00 133.49 1k5d s PRO 34 Ca -0.11 1.74 -0.25 0.00 0.02 0.00 0.00 61.00 62.40 1k5d s PRO 34 Cb -0.16 -1.85 -0.08 0.00 0.02 0.00 0.00 34.50 32.42 1k5d s PRO 34 CO 0.02 -1.71 1.38 -2.00 -0.33 0.00 0.00 177.00 174.36 1k5d s GLU 35 N -3.86 3.72 0.02 5.54 2.56 -1.26 -5.00 118.70 120.42 1k5d s GLU 35 Ca 0.74 2.32 -0.01 0.00 0.00 0.00 0.00 54.97 58.02 1k5d s GLU 35 Cb -0.29 -2.64 -0.02 0.00 2.00 0.00 0.00 34.13 33.18 1k5d s GLU 35 CO 0.44 -0.76 -0.01 -1.14 -0.56 0.00 0.00 175.26 173.23 1k5d s GLN 36 N -2.44 0.33 -0.36 4.30 0.74 -1.26 -5.13 119.66 115.84 1k5d s GLN 36 Ca 0.61 -0.59 -0.05 0.00 0.05 0.00 0.00 55.36 55.37 1k5d s GLN 36 Cb -0.42 0.12 0.06 0.00 1.10 0.00 0.00 33.01 33.88 1k5d s GLN 36 CO 0.53 -0.06 0.13 -1.21 -0.55 0.00 0.00 175.29 174.13 1k5d s GLU 37 N -1.46 2.48 -0.00 1.67 2.02 -1.26 -5.09 118.70 117.05 1k5d s GLU 37 Ca -0.16 -1.35 -0.12 0.00 0.02 0.00 0.00 54.97 53.36 1k5d s GLU 37 Cb -0.10 -3.49 -0.05 0.00 0.10 0.00 0.00 34.13 30.59 1k5d s GLU 37 CO -0.01 -0.78 0.35 0.96 0.02 0.00 0.00 175.26 175.81 1k5d s ILE 38 N 1.34 5.14 0.20 -1.63 -4.36 -1.26 -5.08 121.20 115.54 1k5d s ILE 38 Ca 0.00 0.61 -0.12 0.00 -0.26 0.00 0.00 60.65 60.88 1k5d s ILE 38 Cb -0.21 -3.64 -0.07 0.00 1.25 0.00 0.00 42.46 39.79 1k5d s ILE 38 CO 0.01 0.51 0.55 -0.54 0.24 0.00 0.00 174.94 175.71 1k5d s LYS 39 N -1.30 3.87 0.38 0.37 -0.14 -1.26 -4.98 119.74 116.68 1k5d s LYS 39 Ca 0.25 0.37 0.23 0.00 -1.36 0.00 0.00 55.97 55.45 1k5d s LYS 39 Cb -0.15 -2.76 0.26 0.00 -1.68 0.00 0.00 37.83 33.50 1k5d s LYS 39 CO 0.13 0.38 1.47 1.15 -0.76 0.00 0.00 175.35 177.72 1k5d h THR 40 N 2.33 0.00 -5.34 2.17 2.02 -2.04 -3.47 112.91 108.59 1k5d h THR 40 Ca -0.48 -0.99 -0.35 0.00 0.77 0.00 0.00 66.41 65.37 1k5d h THR 40 Cb 1.18 1.86 0.13 0.00 -1.74 0.00 0.00 68.15 69.58 1k5d h THR 40 CO 0.68 0.00 -0.63 0.18 0.37 0.00 0.00 175.52 176.12 1k5d n LEU 41 N -2.98 -3.39 -0.53 2.58 4.32 -1.26 -4.85 117.00 110.88 1k5d n LEU 41 Ca 0.03 -0.50 -0.00 0.00 -0.02 0.00 0.00 56.01 55.52 1k5d n LEU 41 Cb 0.53 -2.80 -0.00 0.00 -1.62 0.00 0.00 43.42 39.53 1k5d n LEU 41 CO 0.36 0.54 0.25 1.21 -1.22 0.00 0.00 177.39 178.52 1k5d n GLU 42 N -4.39 0.00 0.09 3.23 2.13 -1.26 -4.91 120.64 115.53 1k5d n GLU 42 Ca -0.05 -0.56 -0.17 0.00 0.66 0.00 0.00 57.16 57.04 1k5d n GLU 42 Cb 0.58 -0.24 -0.14 0.00 0.27 0.00 0.00 31.44 31.91 1k5d n GLU 42 CO 0.00 0.00 0.00 0.93 -0.41 0.00 0.00 177.13 177.65 1k5d h GLU 43 N 0.02 0.29 -0.89 5.31 3.07 -1.99 -3.03 114.58 117.36 1k5d h GLU 43 Ca -0.02 -0.49 0.00 0.00 -0.50 0.00 0.00 59.36 58.35 1k5d h GLU 43 Cb 1.23 0.18 0.00 0.00 -0.84 0.00 0.00 28.75 29.32 1k5d h GLU 43 CO -0.00 1.20 0.00 -0.25 -1.40 0.00 0.00 179.01 178.56 1k5d n ASP 44 N -3.52 1.76 0.00 1.42 9.92 -1.26 -4.81 116.55 120.05 1k5d n ASP 44 Ca -0.12 -2.15 0.00 0.00 -0.53 0.00 0.00 54.79 51.99 1k5d n ASP 44 Cb 1.04 -0.51 0.00 0.00 -0.64 0.00 0.00 41.12 41.01 1k5d n ASP 44 CO 0.00 0.00 0.00 -1.84 0.13 0.00 0.00 177.20 175.49 1k5d n GLU 45 N 0.10 3.55 0.00 -1.24 0.28 -1.14 -3.49 120.64 118.69 1k5d n GLU 45 Ca 0.05 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 57.05 1k5d n GLU 45 Cb 0.40 0.00 0.00 0.00 1.43 0.00 0.00 31.44 33.27 1k5d n GLU 45 CO 0.00 0.00 0.00 -1.91 -0.16 0.00 0.00 177.13 175.06 1k5d n GLU 46 N 0.00 0.00 -1.08 3.44 0.00 -1.25 -3.93 120.64 117.82 1k5d n GLU 46 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57.16 57.16 1k5d n GLU 46 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31.44 31.44 1k5d n GLU 46 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.13 175.22 1k5d n GLU 47 N 0.00 0.00 0.05 5.31 2.13 -1.23 -4.95 120.64 121.94 1k5d n GLU 47 Ca 0.00 0.36 -0.13 0.00 0.66 0.00 0.00 57.16 58.05 1k5d n GLU 47 Cb 0.00 -1.03 -0.14 0.00 0.27 0.00 0.00 31.44 30.55 1k5d n GLU 47 CO 0.00 0.00 0.00 -0.07 -0.41 0.00 0.00 177.13 176.65 1k5d h LEU 48 N 0.00 0.23 -7.65 4.31 3.38 -1.61 -3.47 115.31 110.51 1k5d h LEU 48 Ca 0.00 -0.31 -0.19 0.00 0.09 0.00 0.00 57.88 57.47 1k5d h LEU 48 Cb 0.00 -0.07 -0.26 0.00 0.09 0.00 0.00 40.66 40.41 1k5d h LEU 48 CO 0.00 1.25 -0.59 0.12 0.09 0.00 0.00 178.44 179.32 1k5d s PHE 49 N -2.64 -0.09 -0.12 1.13 5.36 -1.23 -4.96 117.98 115.43 1k5d s PHE 49 Ca -0.05 0.22 -0.06 0.00 -0.96 0.00 0.00 56.93 56.08 1k5d s PHE 49 Cb 0.08 0.02 0.05 0.00 -0.34 0.00 0.00 43.02 42.83 1k5d s PHE 49 CO 0.84 -0.08 0.28 0.21 -1.46 0.00 0.00 175.22 175.01 1k5d s LYS 50 N -0.14 0.22 -0.28 10.12 2.20 -1.26 -0.86 119.74 129.74 1k5d s LYS 50 Ca -0.02 0.64 -0.25 0.00 -0.36 0.00 0.00 55.97 55.98 1k5d s LYS 50 Cb -0.02 -0.07 0.11 0.00 -1.51 0.00 0.00 37.83 36.34 1k5d s LYS 50 CO 0.00 -0.20 0.98 1.41 -0.36 0.00 0.00 175.35 177.18 1k5d s MET 51 N 1.62 0.55 0.54 4.03 1.75 -0.62 -4.96 119.30 122.21 1k5d s MET 51 Ca -0.06 0.67 -0.22 0.00 -1.25 0.00 0.00 55.69 54.83 1k5d s MET 51 Cb -0.11 0.26 -0.06 0.00 2.84 0.00 0.00 34.83 37.77 1k5d s MET 51 CO -0.09 -0.07 1.25 -2.13 -0.65 0.00 0.00 175.02 173.33 1k5d n ARG 52 N 2.37 1.53 -3.61 4.11 3.00 -1.26 -0.76 116.66 122.04 1k5d n ARG 52 Ca -0.13 0.56 0.02 0.00 -0.00 0.00 0.00 57.85 58.30 1k5d n ARG 52 Cb 0.56 -2.44 -0.00 0.00 0.00 0.00 0.00 32.46 30.58 1k5d n ARG 52 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1k5d s ALA 53 N -1.32 -2.32 -0.14 5.13 0.00 0.20 -4.75 121.76 118.57 1k5d s ALA 53 Ca 0.71 0.76 0.02 0.00 0.00 0.00 0.00 51.96 53.45 1k5d s ALA 53 Cb -0.44 0.33 0.01 0.00 0.00 0.00 0.00 23.12 23.03 1k5d s ALA 53 CO 0.50 -1.06 -0.22 0.21 0.00 0.00 0.00 175.76 175.19 1k5d s LYS 54 N -2.31 2.99 0.07 0.00 2.20 -0.97 -0.25 119.74 121.47 1k5d s LYS 54 Ca 0.15 -0.84 -0.00 0.00 -0.36 0.00 0.00 55.97 54.91 1k5d s LYS 54 Cb 0.06 -2.41 -0.04 0.00 -1.51 0.00 0.00 37.83 33.92 1k5d s LYS 54 CO -0.05 -0.02 0.22 -1.17 -0.36 0.00 0.00 175.35 173.98 1k5d s LEU 55 N 0.82 4.35 -0.02 5.43 2.96 0.19 -1.38 118.68 131.03 1k5d s LEU 55 Ca -0.07 0.28 0.03 0.00 -0.22 0.00 0.00 54.13 54.15 1k5d s LEU 55 Cb -0.15 -2.98 -0.01 0.00 0.50 0.00 0.00 46.19 43.55 1k5d s LEU 55 CO -0.02 0.16 -0.11 -0.36 -1.32 0.00 0.00 176.35 174.69 1k5d s PHE 56 N -1.53 1.07 0.20 5.38 0.40 0.16 -1.26 117.98 122.40 1k5d s PHE 56 Ca 0.35 -0.23 -0.01 0.00 -0.60 0.00 0.00 56.93 56.45 1k5d s PHE 56 Cb -0.13 -0.71 -0.04 0.00 0.51 0.00 0.00 43.02 42.65 1k5d s PHE 56 CO 0.28 -0.05 0.39 0.50 0.70 0.00 0.00 175.22 177.04 1k5d s ARG 57 N -0.13 3.52 -0.09 0.44 3.00 0.95 -2.11 118.95 124.53 1k5d s ARG 57 Ca 0.02 -0.34 0.02 0.00 -1.00 0.00 0.00 55.73 54.42 1k5d s ARG 57 Cb -0.06 -2.84 -0.02 0.00 0.00 0.00 0.00 34.95 32.03 1k5d s ARG 57 CO -0.00 0.40 -0.15 0.12 0.00 0.00 0.00 175.30 175.67 1k5d s PHE 58 N -1.87 2.73 0.00 5.12 2.19 -1.07 -1.54 117.98 123.54 1k5d s PHE 58 Ca 0.38 -0.47 0.00 0.00 0.33 0.00 0.00 56.93 57.17 1k5d s PHE 58 Cb -0.11 -1.74 0.00 0.00 -1.31 0.00 0.00 43.02 39.86 1k5d s PHE 58 CO 0.29 -0.06 0.00 0.00 1.83 0.00 0.00 175.22 177.28 1k5d n ALA 59 N 3.00 0.00 0.00 11.12 0.00 0.43 -4.83 120.51 130.23 1k5d n ALA 59 Ca -0.18 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.26 1k5d n ALA 59 Cb 0.52 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.97 1k5d n ALA 59 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1k5d n SER 60 N 0.00 0.00 -1.16 0.00 2.88 -1.26 -4.86 113.62 109.21 1k5d n SER 60 Ca 0.00 0.00 0.01 0.00 -1.33 0.00 0.00 58.87 57.55 1k5d n SER 60 Cb 0.00 0.00 0.15 0.00 -0.75 0.00 0.00 64.21 63.61 1k5d n SER 60 CO 0.00 0.00 0.00 1.21 -1.23 0.00 0.00 175.04 175.02 1k5d n GLU 61 N 0.00 2.45 0.13 -1.46 4.07 -1.26 -4.05 120.64 120.52 1k5d n GLU 61 Ca 0.00 -1.31 -0.00 0.00 -0.06 0.00 0.00 57.16 55.78 1k5d n GLU 61 Cb 0.00 -1.77 0.10 0.00 -0.06 0.00 0.00 31.44 29.71 1k5d n GLU 61 CO 0.00 0.00 0.00 -0.91 -0.06 0.00 0.00 177.13 176.16 1k5d h ASN 62 N 1.46 0.00 0.00 4.31 4.21 -1.99 -3.46 115.58 120.10 1k5d h ASN 62 Ca 0.05 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.56 1k5d h ASN 62 Cb 1.24 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 38.44 1k5d h ASN 62 CO 0.25 0.64 0.00 0.47 -1.29 0.00 0.00 177.43 177.51 1k5d n ASP 63 N -3.49 -0.14 -3.59 5.81 9.92 -1.26 -4.87 116.55 118.92 1k5d n ASP 63 Ca 0.00 0.00 -0.30 0.00 -0.53 0.00 0.00 54.79 53.96 1k5d n ASP 63 Cb 0.71 -1.00 -0.07 0.00 -0.64 0.00 0.00 41.12 40.12 1k5d n ASP 63 CO 0.00 0.00 0.00 0.18 0.13 0.00 0.00 177.20 177.51 1k5d n LEU 64 N 0.00 4.03 -4.06 0.64 7.99 -1.26 -5.05 117.00 119.29 1k5d n LEU 64 Ca 0.00 -5.37 -0.52 0.00 -0.01 0.00 0.00 56.01 50.11 1k5d n LEU 64 Cb 0.01 -0.78 -0.12 0.00 -0.11 0.00 0.00 43.42 42.42 1k5d n LEU 64 CO 0.00 1.95 1.75 -2.65 -1.51 0.00 0.00 177.39 176.93 1k5d n PRO 65 N 1.12 0.00 -3.88 3.23 -0.02 -1.26 -4.86 135.00 129.33 1k5d n PRO 65 Ca 0.28 0.00 -0.10 0.00 -2.02 0.00 0.00 63.50 61.66 1k5d n PRO 65 Cb 0.39 -1.41 -0.09 0.00 -0.02 0.00 0.00 33.50 32.37 1k5d n PRO 65 CO 0.00 0.00 0.00 -1.21 1.98 0.00 0.00 175.50 176.27 1k5d s GLU 66 N 6.36 0.66 -0.36 -0.52 2.02 -1.26 -4.93 118.70 120.66 1k5d s GLU 66 Ca 1.17 -0.70 -0.16 0.00 0.02 0.00 0.00 54.97 55.30 1k5d s GLU 66 Cb -1.36 0.27 -0.00 0.00 0.10 0.00 0.00 34.13 33.14 1k5d s GLU 66 CO 0.58 -0.18 0.39 -1.58 0.02 0.00 0.00 175.26 174.49 1k5d s TRP 67 N -2.64 3.20 -0.13 1.61 0.52 -1.26 0.16 118.94 120.39 1k5d s TRP 67 Ca -0.05 -0.10 -0.07 0.00 0.02 0.00 0.00 56.10 55.90 1k5d s TRP 67 Cb -0.01 -2.75 -0.04 0.00 -1.15 0.00 0.00 33.47 29.52 1k5d s TRP 67 CO -0.04 -0.51 0.13 0.15 0.02 0.00 0.00 176.95 176.69 1k5d s LYS 68 N 2.08 3.54 0.33 4.98 1.02 -0.59 -4.94 119.74 126.15 1k5d s LYS 68 Ca 0.12 -0.17 -0.29 0.00 0.02 0.00 0.00 55.97 55.66 1k5d s LYS 68 Cb -0.17 -3.20 -0.10 0.00 -0.52 0.00 0.00 37.83 33.84 1k5d s LYS 68 CO 0.12 0.68 1.36 -1.21 -0.92 0.00 0.00 175.35 175.38 1k5d s GLU 69 N -0.76 4.30 -0.01 1.68 2.02 -1.26 -0.04 118.70 124.63 1k5d s GLU 69 Ca 0.13 2.29 0.07 0.00 0.02 0.00 0.00 54.97 57.48 1k5d s GLU 69 Cb -0.12 -3.06 -0.10 0.00 0.10 0.00 0.00 34.13 30.96 1k5d s GLU 69 CO 0.03 -0.28 0.17 -2.13 0.02 0.00 0.00 175.26 173.07 1k5d n ARG 70 N 0.96 1.01 0.00 1.61 3.00 -0.39 -4.70 116.66 118.14 1k5d n ARG 70 Ca 0.01 -0.05 0.00 0.00 -0.00 0.00 0.00 57.85 57.81 1k5d n ARG 70 Cb 0.41 -1.10 0.00 0.00 0.00 0.00 0.00 32.46 31.77 1k5d n ARG 70 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 1k5d n GLY 71 N 1.95 3.42 3.06 5.14 0.00 -1.19 -4.83 105.19 112.75 1k5d n GLY 71 Ca -0.01 -0.79 -0.29 0.00 0.00 0.00 0.00 46.02 44.93 1k5d n GLY 71 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1k5d s THR 72 N -2.00 1.59 -1.47 2.61 2.01 -1.26 0.53 115.64 117.65 1k5d s THR 72 Ca 0.00 -0.69 0.00 0.00 0.31 0.00 0.00 61.69 61.31 1k5d s THR 72 Cb 0.00 -1.46 0.00 0.00 0.01 0.00 0.00 72.50 71.05 1k5d s THR 72 CO 0.00 0.46 0.00 0.61 -0.69 0.00 0.00 174.62 175.00 1k5d n GLY 73 N 4.32 -0.61 3.65 4.40 0.00 0.66 -2.05 105.19 115.56 1k5d n GLY 73 Ca -0.19 -0.61 -0.40 0.00 0.00 0.00 0.00 46.02 44.83 1k5d n GLY 73 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1k5d s ASP 74 N -4.00 6.57 0.27 1.61 -0.00 -1.25 0.60 116.67 120.47 1k5d s ASP 74 Ca 0.00 0.69 -0.13 0.00 -0.00 0.00 0.00 52.55 53.12 1k5d s ASP 74 Cb 0.00 -2.31 -0.08 0.00 -0.00 0.00 0.00 42.92 40.53 1k5d s ASP 74 CO 0.00 -0.23 0.64 -0.69 -0.00 0.00 0.00 175.17 174.89 1k5d s VAL 75 N 1.85 4.80 -0.08 -1.27 1.01 0.06 -3.68 120.40 123.08 1k5d s VAL 75 Ca 0.25 0.73 -0.09 0.00 0.00 0.00 0.00 61.98 62.86 1k5d s VAL 75 Cb -0.16 -3.63 0.02 0.00 0.00 0.00 0.00 36.38 32.62 1k5d s VAL 75 CO 0.10 -0.09 0.25 -0.54 0.00 0.00 0.00 175.10 174.81 1k5d s LYS 76 N -2.81 0.35 -0.13 2.72 1.02 -0.30 -1.59 119.74 118.99 1k5d s LYS 76 Ca 0.50 0.25 -0.05 0.00 0.02 0.00 0.00 55.97 56.69 1k5d s LYS 76 Cb -0.11 0.16 -0.04 0.00 -0.52 0.00 0.00 37.83 37.33 1k5d s LYS 76 CO 0.19 -0.05 0.04 -0.51 -0.92 0.00 0.00 175.35 174.10 1k5d s LEU 77 N -0.11 3.76 -0.02 3.17 1.43 -0.04 -1.27 118.68 125.60 1k5d s LEU 77 Ca -0.02 0.16 0.00 0.00 -1.03 0.00 0.00 54.13 53.24 1k5d s LEU 77 Cb -0.03 -1.90 0.02 0.00 0.03 0.00 0.00 46.19 44.31 1k5d s LEU 77 CO 0.01 0.31 -0.00 -0.76 0.23 0.00 0.00 176.35 176.13 1k5d s LEU 78 N -0.44 1.43 -0.04 1.79 1.43 -0.62 -1.35 118.68 120.88 1k5d s LEU 78 Ca 0.09 -0.02 0.05 0.00 -1.03 0.00 0.00 54.13 53.21 1k5d s LEU 78 Cb -0.12 -0.16 -0.03 0.00 0.03 0.00 0.00 46.19 45.91 1k5d s LEU 78 CO 0.02 -0.06 -0.16 -0.75 0.23 0.00 0.00 176.35 175.63 1k5d s LYS 79 N 0.67 2.41 0.28 1.70 2.20 -1.26 -0.39 119.74 125.36 1k5d s LYS 79 Ca -0.06 -0.75 -0.25 0.00 -0.36 0.00 0.00 55.97 54.55 1k5d s LYS 79 Cb -0.09 -2.32 -0.09 0.00 -1.51 0.00 0.00 37.83 33.82 1k5d s LYS 79 CO -0.01 0.61 0.88 -1.58 -0.36 0.00 0.00 175.35 174.88 1k5d s HIS 80 N -0.74 3.72 -0.08 4.03 5.65 0.57 -3.83 115.29 124.62 1k5d s HIS 80 Ca 0.12 1.69 -0.25 0.00 0.25 0.00 0.00 55.06 56.87 1k5d s HIS 80 Cb -0.11 -2.84 -0.28 0.00 -1.18 0.00 0.00 32.58 28.17 1k5d s HIS 80 CO 0.01 0.28 0.88 0.87 -0.65 0.00 0.00 174.74 176.12 1k5d h LYS 81 N 3.38 0.16 0.00 2.88 1.57 -1.68 -3.29 116.57 119.60 1k5d h LYS 81 Ca -0.47 -0.25 0.00 0.00 -1.87 0.00 0.00 60.65 58.06 1k5d h LYS 81 Cb 1.19 0.09 0.00 0.00 0.08 0.00 0.00 32.23 33.59 1k5d h LYS 81 CO 0.65 1.09 0.00 0.93 -0.57 0.00 0.00 179.45 181.55 1k5d h GLU 82 N -0.63 0.00 0.00 3.15 4.39 -1.94 -3.44 114.58 116.11 1k5d h GLU 82 Ca -0.07 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.63 1k5d h GLU 82 Cb 1.27 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.92 1k5d h GLU 82 CO 0.07 0.00 0.00 1.63 -1.16 0.00 0.00 179.01 179.55 1k5d n LYS 83 N -3.05 0.23 -0.00 2.33 5.02 -1.24 -5.08 118.16 116.37 1k5d n LYS 83 Ca -0.01 0.00 0.02 0.00 -2.02 0.00 0.00 58.31 56.30 1k5d n LYS 83 Cb 0.20 0.00 -0.03 0.00 -0.02 0.00 0.00 35.03 35.18 1k5d n LYS 83 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1k5d n GLY 84 N 0.29 0.03 3.12 0.72 0.00 -1.26 -4.43 105.19 103.65 1k5d n GLY 84 Ca 0.00 -0.10 -0.47 0.00 0.00 0.00 0.00 46.02 45.44 1k5d n GLY 84 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1k5d n ALA 85 N -1.50 -2.95 -2.55 4.61 0.00 -1.26 -4.34 120.51 112.52 1k5d n ALA 85 Ca -0.00 0.45 -0.23 0.00 0.00 0.00 0.00 53.44 53.66 1k5d n ALA 85 Cb 0.10 -1.51 -0.15 0.00 0.00 0.00 0.00 19.45 17.89 1k5d n ALA 85 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 1k5d s ILE 86 N -0.58 1.23 0.14 0.00 1.01 -1.26 -0.31 121.20 121.44 1k5d s ILE 86 Ca 0.67 -0.75 -0.03 0.00 0.00 0.00 0.00 60.65 60.54 1k5d s ILE 86 Cb -0.96 -1.04 -0.03 0.00 0.01 0.00 0.00 42.46 40.44 1k5d s ILE 86 CO 0.51 0.28 0.12 0.00 0.00 0.00 0.00 174.94 175.85 1k5d s ARG 87 N -0.55 1.00 -0.13 2.79 1.70 0.47 -0.95 118.95 123.29 1k5d s ARG 87 Ca 0.05 -1.39 -0.05 0.00 -0.47 0.00 0.00 55.73 53.88 1k5d s ARG 87 Cb -0.06 0.28 -0.04 0.00 -0.57 0.00 0.00 34.95 34.56 1k5d s ARG 87 CO -0.00 -0.31 0.04 -1.17 -1.08 0.00 0.00 175.30 172.77 1k5d s LEU 88 N -3.04 3.74 -0.06 -1.89 0.20 0.61 -1.59 118.68 116.65 1k5d s LEU 88 Ca 0.23 0.14 -0.03 0.00 0.69 0.00 0.00 54.13 55.17 1k5d s LEU 88 Cb 0.06 -1.90 0.04 0.00 -0.43 0.00 0.00 46.19 43.97 1k5d s LEU 88 CO 0.02 0.29 0.13 -0.22 -0.29 0.00 0.00 176.35 176.28 1k5d s LEU 89 N -0.35 0.39 0.02 -0.68 2.96 -0.40 -1.98 118.68 118.64 1k5d s LEU 89 Ca 0.08 0.26 0.03 0.00 -0.22 0.00 0.00 54.13 54.28 1k5d s LEU 89 Cb -0.12 0.23 -0.02 0.00 0.50 0.00 0.00 46.19 46.78 1k5d s LEU 89 CO 0.02 -0.19 -0.10 -0.32 -1.32 0.00 0.00 176.35 174.43 1k5d s MET 90 N 1.70 0.71 0.00 1.98 -2.45 -0.06 -1.16 119.30 120.03 1k5d s MET 90 Ca -0.03 -0.56 0.04 0.00 -1.25 0.00 0.00 55.69 53.90 1k5d s MET 90 Cb -0.12 -0.66 -0.01 0.00 1.25 0.00 0.00 34.83 35.29 1k5d s MET 90 CO -0.05 0.16 -0.13 1.03 1.05 0.00 0.00 175.02 177.08 1k5d s ARG 91 N -0.84 1.03 0.46 4.11 0.52 -1.24 -0.83 118.95 122.16 1k5d s ARG 91 Ca -0.00 -0.56 -0.22 0.00 -0.52 0.00 0.00 55.73 54.43 1k5d s ARG 91 Cb -0.06 -1.01 -0.08 0.00 0.52 0.00 0.00 34.95 34.31 1k5d s ARG 91 CO 0.00 0.27 1.06 1.03 0.02 0.00 0.00 175.30 177.68 1k5d s ARG 92 N -0.56 3.88 0.77 3.54 0.52 0.46 -3.86 118.95 123.71 1k5d s ARG 92 Ca 0.04 1.46 -0.13 0.00 -0.52 0.00 0.00 55.73 56.58 1k5d s ARG 92 Cb -0.06 -2.26 0.06 0.00 0.52 0.00 0.00 34.95 33.21 1k5d s ARG 92 CO 0.00 -0.38 1.17 -0.51 0.02 0.00 0.00 175.30 175.60 1k5d s ASP 93 N -1.78 4.02 0.00 0.23 -0.00 -0.87 -0.60 116.67 117.67 1k5d s ASP 93 Ca 0.64 2.23 0.00 0.00 -0.00 0.00 0.00 52.55 55.42 1k5d s ASP 93 Cb -0.20 -2.57 0.00 0.00 -0.00 0.00 0.00 42.92 40.15 1k5d s ASP 93 CO 0.24 -2.38 0.00 0.29 -0.00 0.00 0.00 175.17 173.33 1k5d n LYS 94 N -3.13 0.00 0.04 8.23 4.01 -1.26 -3.80 118.16 122.25 1k5d n LYS 94 Ca 0.12 0.00 -0.06 0.00 -0.51 0.00 0.00 58.31 57.86 1k5d n LYS 94 Cb 0.51 0.00 -0.11 0.00 -0.51 0.00 0.00 35.03 34.92 1k5d n LYS 94 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 1k5d h THR 95 N 0.00 1.20 -0.45 -0.18 1.03 -2.00 -3.48 112.91 109.04 1k5d h THR 95 Ca 0.00 -2.90 -0.19 0.00 -0.01 0.00 0.00 66.41 63.30 1k5d h THR 95 Cb 0.00 2.57 -0.08 0.00 -1.07 0.00 0.00 68.15 69.58 1k5d h THR 95 CO 0.00 0.68 -0.18 0.18 -0.01 0.00 0.00 175.52 176.20 1k5d n LEU 96 N -3.18 -0.42 -4.79 0.00 4.32 0.23 -4.99 117.00 108.18 1k5d n LEU 96 Ca -0.07 0.24 -0.35 0.00 -0.02 0.00 0.00 56.01 55.80 1k5d n LEU 96 Cb 0.95 -2.11 -0.03 0.00 -1.62 0.00 0.00 43.42 40.61 1k5d n LEU 96 CO 0.45 -0.77 0.75 -0.54 -1.22 0.00 0.00 177.39 176.06 1k5d s LYS 97 N -2.60 3.86 0.10 3.23 -0.14 -1.26 -4.58 119.74 118.35 1k5d s LYS 97 Ca 0.00 1.50 -0.30 0.00 -1.36 0.00 0.00 55.97 55.81 1k5d s LYS 97 Cb 0.00 -2.27 -0.06 0.00 -1.68 0.00 0.00 37.83 33.82 1k5d s LYS 97 CO 0.00 -0.41 1.07 0.42 -0.76 0.00 0.00 175.35 175.67 1k5d s ILE 98 N -1.78 4.23 0.00 2.17 1.01 -1.26 -0.40 121.20 125.17 1k5d s ILE 98 Ca 0.64 1.76 0.00 0.00 0.00 0.00 0.00 60.65 63.05 1k5d s ILE 98 Cb -0.21 -4.13 0.00 0.00 0.01 0.00 0.00 42.46 38.14 1k5d s ILE 98 CO 0.25 0.22 0.92 0.00 0.00 0.00 0.00 174.94 176.34 1k5d s ALA 100 N -0.85 -2.67 -0.31 0.00 0.00 -1.23 -4.90 121.76 111.80 1k5d s ALA 100 Ca 0.00 2.03 0.05 0.00 0.00 0.00 0.00 51.96 54.04 1k5d s ALA 100 Cb 0.00 -1.97 0.20 0.00 0.00 0.00 0.00 23.12 21.34 1k5d s ALA 100 CO 0.00 -0.57 0.63 1.21 0.00 0.00 0.00 175.76 177.03 1k5d s ASN 101 N 1.59 -1.54 0.09 0.00 2.47 -1.24 -0.88 114.94 115.42 1k5d s ASN 101 Ca -0.06 0.01 -0.14 0.00 0.42 0.00 0.00 52.86 53.09 1k5d s ASN 101 Cb -0.03 1.97 0.03 0.00 -1.45 0.00 0.00 41.25 41.76 1k5d s ASN 101 CO -0.14 -0.26 0.34 -1.38 -3.72 0.00 0.00 177.10 171.94 1k5d s HIS 102 N 2.65 -0.12 0.52 0.43 -3.43 -0.84 -1.29 115.29 113.21 1k5d s HIS 102 Ca 0.12 -0.14 -0.17 0.00 -0.80 0.00 0.00 55.06 54.07 1k5d s HIS 102 Cb -0.08 0.16 -0.07 0.00 -1.43 0.00 0.00 32.58 31.15 1k5d s HIS 102 CO -0.22 -0.61 1.00 0.71 -2.00 0.00 0.00 174.74 173.62 1k5d s TYR 103 N -3.38 3.29 -0.43 0.38 2.02 -1.26 -0.28 117.35 117.69 1k5d s TYR 103 Ca 0.01 1.50 -0.18 0.00 -0.37 0.00 0.00 57.07 58.03 1k5d s TYR 103 Cb 0.02 -2.87 0.03 0.00 -0.40 0.00 0.00 41.96 38.73 1k5d s TYR 103 CO -0.09 -0.55 0.50 0.42 -1.57 0.00 0.00 175.55 174.26 1k5d s ILE 104 N -2.49 5.01 0.63 2.71 1.01 -0.13 -4.83 121.20 123.12 1k5d s ILE 104 Ca 0.61 -0.26 -0.04 0.00 0.00 0.00 0.00 60.65 60.95 1k5d s ILE 104 Cb -0.12 -4.10 0.04 0.00 0.01 0.00 0.00 42.46 38.29 1k5d s ILE 104 CO 0.30 -0.49 0.92 0.42 0.00 0.00 0.00 174.94 176.08 1k5d s THR 105 N 2.33 2.77 0.15 2.92 -4.23 -1.26 -4.79 115.64 113.53 1k5d s THR 105 Ca 0.15 -0.30 -0.16 0.00 -1.18 0.00 0.00 61.69 60.20 1k5d s THR 105 Cb -0.17 -3.13 0.01 0.00 1.34 0.00 0.00 72.50 70.55 1k5d s THR 105 CO 0.15 -0.13 1.80 -0.65 -0.54 0.00 0.00 174.62 175.25 1k5d h PRO 106 N -0.31 0.47 -3.20 3.99 0.11 -1.90 -3.24 132.00 127.93 1k5d h PRO 106 Ca -0.44 -0.03 -0.73 0.00 0.11 0.00 0.00 66.00 64.91 1k5d h PRO 106 Cb 1.29 -0.11 -0.09 0.00 0.11 0.00 0.00 31.00 32.21 1k5d h PRO 106 CO 0.59 0.31 2.70 -0.12 -0.21 0.00 0.00 178.00 181.27 1k5d n MET 107 N -4.85 3.83 -3.70 1.05 1.56 -1.26 -4.86 117.12 108.90 1k5d n MET 107 Ca 0.01 -3.09 -0.11 0.00 -0.27 0.00 0.00 57.70 54.23 1k5d n MET 107 Cb 0.04 -2.86 -0.12 0.00 2.15 0.00 0.00 33.22 32.43 1k5d n MET 107 CO 0.00 0.00 0.00 1.41 -0.73 0.00 0.00 175.97 176.65 1k5d s MET 108 N 0.69 0.30 0.00 2.12 0.00 -1.23 -5.02 119.30 116.17 1k5d s MET 108 Ca 0.51 0.75 0.00 0.00 0.00 0.00 0.00 55.69 56.95 1k5d s MET 108 Cb 0.15 -0.01 0.00 0.00 0.00 0.00 0.00 34.83 34.97 1k5d s MET 108 CO -0.06 -0.19 0.00 -0.85 0.00 0.00 0.00 175.02 173.93 1k5d n GLU 109 N 4.52 2.21 -2.75 4.11 0.00 -1.26 -4.97 120.64 122.49 1k5d n GLU 109 Ca -0.20 0.00 -0.09 0.00 0.00 0.00 0.00 57.16 56.86 1k5d n GLU 109 Cb 0.53 0.00 0.07 0.00 0.00 0.00 0.00 31.44 32.04 1k5d n GLU 109 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.13 178.41 1k5d n LEU 110 N 0.00 -0.51 -4.61 -1.84 4.77 -1.26 -4.71 117.00 108.84 1k5d n LEU 110 Ca 0.00 -3.78 -0.51 0.00 -0.03 0.00 0.00 56.01 51.69 1k5d n LEU 110 Cb 0.00 0.38 -0.06 0.00 -2.33 0.00 0.00 43.42 41.42 1k5d n LEU 110 CO 0.00 1.86 0.97 0.29 -1.33 0.00 0.00 177.39 179.18 1k5d n LYS 111 N -0.16 1.37 -0.64 3.23 5.02 -1.14 -4.39 118.16 121.45 1k5d n LYS 111 Ca 0.06 0.49 -0.31 0.00 -2.02 0.00 0.00 58.31 56.54 1k5d n LYS 111 Cb 0.79 -2.17 0.18 0.00 -0.02 0.00 0.00 35.03 33.82 1k5d n LYS 111 CO 0.00 0.00 0.00 -2.30 -0.52 0.00 0.00 177.40 174.58 1k5d n PRO 112 N 2.73 -0.91 -3.61 1.97 -0.02 -1.26 -1.73 135.00 132.17 1k5d n PRO 112 Ca 0.18 -0.21 -0.40 0.00 -2.02 0.00 0.00 63.50 61.05 1k5d n PRO 112 Cb 0.21 -2.27 -0.10 0.00 -0.02 0.00 0.00 33.50 31.32 1k5d n PRO 112 CO 0.00 0.00 0.00 1.21 1.98 0.00 0.00 175.50 178.69 1k5d s ASN 113 N -2.52 5.62 0.00 2.55 2.47 -1.22 -4.75 114.94 117.09 1k5d s ASN 113 Ca 0.66 -1.58 0.00 0.00 0.42 0.00 0.00 52.86 52.36 1k5d s ASN 113 Cb -0.23 -1.98 0.00 0.00 -1.45 0.00 0.00 41.25 37.59 1k5d s ASN 113 CO 0.61 -0.55 0.00 0.00 -3.72 0.00 0.00 177.10 173.43 1k5d n ALA 114 N 4.90 0.00 -1.00 1.71 0.00 -1.26 -4.06 120.51 120.80 1k5d n ALA 114 Ca -0.09 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.35 1k5d n ALA 114 Cb 0.43 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.88 1k5d n ALA 114 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1k5d n GLY 115 N 0.00 0.24 1.12 0.00 0.00 -1.26 -5.00 105.19 100.29 1k5d n GLY 115 Ca 0.00 -0.52 0.12 0.00 0.00 0.00 0.00 46.02 45.62 1k5d n GLY 115 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1k5d n SER 116 N 0.00 -5.56 0.00 1.61 2.88 -1.26 -4.90 113.62 106.39 1k5d n SER 116 Ca 0.00 0.70 0.00 0.00 -1.33 0.00 0.00 58.87 58.24 1k5d n SER 116 Cb 0.00 -3.60 0.00 0.00 -0.75 0.00 0.00 64.21 59.86 1k5d n SER 116 CO 0.00 0.00 0.00 -0.90 -1.23 0.00 0.00 175.04 172.91 1k5d n ASP 117 N -4.19 0.00 -0.09 -3.46 5.75 -1.26 -4.83 116.55 108.47 1k5d n ASP 117 Ca -0.03 -1.00 0.04 0.00 -0.01 0.00 0.00 54.79 53.79 1k5d n ASP 117 Cb 0.60 0.00 0.05 0.00 -1.03 0.00 0.00 41.12 40.74 1k5d n ASP 117 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 1k5d n ARG 118 N 0.00 1.59 -4.83 0.11 3.00 -1.26 -4.33 116.66 110.95 1k5d n ARG 118 Ca 0.00 -1.68 -0.26 0.00 -0.01 0.00 0.00 57.85 55.91 1k5d n ARG 118 Cb 0.43 -1.04 -0.16 0.00 0.00 0.00 0.00 32.46 31.69 1k5d n ARG 118 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1k5d s ALA 119 N -1.39 1.49 0.15 7.54 0.00 -1.26 -1.15 121.76 127.14 1k5d s ALA 119 Ca 0.11 -0.71 0.09 0.00 0.00 0.00 0.00 51.96 51.45 1k5d s ALA 119 Cb 0.10 -0.46 -0.04 0.00 0.00 0.00 0.00 23.12 22.72 1k5d s ALA 119 CO 0.01 0.30 -0.19 -1.58 0.00 0.00 0.00 175.76 174.30 1k5d s TRP 120 N -0.11 1.85 -0.01 0.00 0.23 -0.90 -3.44 118.94 116.56 1k5d s TRP 120 Ca -0.00 -0.45 0.01 0.00 -2.03 0.00 0.00 56.10 53.63 1k5d s TRP 120 Cb -0.10 -0.95 -0.00 0.00 0.03 0.00 0.00 33.47 32.45 1k5d s TRP 120 CO 0.01 0.31 -0.05 0.14 0.96 0.00 0.00 176.95 178.32 1k5d s VAL 121 N -1.78 0.39 0.29 4.03 -7.23 -0.71 -1.63 120.40 113.76 1k5d s VAL 121 Ca 0.14 -0.19 -0.01 0.00 -1.81 0.00 0.00 61.98 60.10 1k5d s VAL 121 Cb -0.07 -0.35 0.00 0.00 0.56 0.00 0.00 36.38 36.53 1k5d s VAL 121 CO 0.06 0.12 0.39 -2.67 -0.31 0.00 0.00 175.10 172.69 1k5d n TRP 122 N 3.08 -1.22 -4.39 2.82 2.14 -1.16 -2.88 117.44 115.83 1k5d n TRP 122 Ca -0.14 -1.98 -0.21 0.00 2.07 0.00 0.00 57.50 57.23 1k5d n TRP 122 Cb 0.57 0.44 -0.10 0.00 -0.81 0.00 0.00 31.31 31.41 1k5d n TRP 122 CO 0.00 0.00 0.00 1.21 2.07 0.00 0.00 177.69 180.97 1k5d s ASN 123 N -2.81 2.97 -0.14 -0.67 3.04 -1.26 -2.33 114.94 113.73 1k5d s ASN 123 Ca 0.25 -0.98 -0.09 0.00 0.04 0.00 0.00 52.86 52.08 1k5d s ASN 123 Cb -0.01 -0.20 0.05 0.00 -1.54 0.00 0.00 41.25 39.55 1k5d s ASN 123 CO 0.18 -0.06 0.35 -0.89 -3.04 0.00 0.00 177.10 173.64 1k5d s THR 124 N -2.56 -0.02 -1.13 -5.21 2.01 -0.60 -4.95 115.64 103.17 1k5d s THR 124 Ca 0.23 0.09 0.28 0.00 0.31 0.00 0.00 61.69 62.60 1k5d s THR 124 Cb -0.04 -0.52 0.27 0.00 0.01 0.00 0.00 72.50 72.22 1k5d s THR 124 CO 0.10 0.04 1.85 1.41 -0.69 0.00 0.00 174.62 177.32 1k5d n HIS 125 N 3.94 0.00 -3.15 4.92 -0.00 -1.26 -1.19 115.22 118.47 1k5d n HIS 125 Ca -0.22 0.00 0.01 0.00 -0.00 0.00 0.00 57.72 57.52 1k5d n HIS 125 Cb 0.55 -0.39 -0.01 0.00 -0.00 0.00 0.00 29.99 30.14 1k5d n HIS 125 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 1k5d s ALA 126 N -2.88 -2.65 0.30 -1.41 0.00 -1.26 -3.89 121.76 109.97 1k5d s ALA 126 Ca 0.17 0.36 -0.12 0.00 0.00 0.00 0.00 51.96 52.37 1k5d s ALA 126 Cb 0.19 -2.78 -0.08 0.00 0.00 0.00 0.00 23.12 20.46 1k5d s ALA 126 CO 0.54 -2.26 0.67 0.34 0.00 0.00 0.00 175.76 175.06 1k5d s ASP 127 N 1.87 6.67 -0.12 0.00 2.15 0.49 -4.66 116.67 123.07 1k5d s ASP 127 Ca 0.16 1.11 0.17 0.00 0.43 0.00 0.00 52.55 54.42 1k5d s ASP 127 Cb -0.03 -2.31 0.42 0.00 -0.30 0.00 0.00 42.92 40.70 1k5d s ASP 127 CO -0.08 -0.19 1.20 0.33 -0.17 0.00 0.00 175.17 176.26 1k5d n PHE 128 N -0.44 0.00 0.09 -5.34 7.35 -0.41 -1.85 117.46 116.85 1k5d n PHE 128 Ca 0.02 -1.07 0.05 0.00 -0.76 0.00 0.00 57.45 55.70 1k5d n PHE 128 Cb 0.53 -0.20 0.50 0.00 0.35 0.00 0.00 39.48 40.65 1k5d n PHE 128 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 1k5d h ALA 129 N 0.96 1.80 -0.49 3.13 0.00 -1.84 -0.82 119.26 122.00 1k5d h ALA 129 Ca -0.09 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.79 1k5d h ALA 129 Cb 1.37 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 19.05 1k5d h ALA 129 CO 0.04 0.18 0.00 -0.25 0.00 0.00 0.00 179.25 179.22 1k5d n ASP 130 N -4.49 5.27 -3.00 0.00 8.00 -1.26 -4.77 116.55 116.30 1k5d n ASP 130 Ca 0.01 -2.96 -0.20 0.00 0.71 0.00 0.00 54.79 52.35 1k5d n ASP 130 Cb 0.08 -0.65 0.00 0.00 -0.02 0.00 0.00 41.12 40.53 1k5d n ASP 130 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 1k5d n GLU 131 N 0.33 -3.37 -3.70 -1.24 1.02 -0.31 -4.94 120.64 108.43 1k5d n GLU 131 Ca 0.26 0.63 -0.14 0.00 -0.02 0.00 0.00 57.16 57.89 1k5d n GLU 131 Cb 1.12 -5.34 -0.14 0.00 -0.02 0.00 0.00 31.44 27.06 1k5d n GLU 131 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1k5d n PRO 133 N 4.83 2.23 -3.72 0.00 -0.02 -1.26 -4.51 135.00 132.55 1k5d n PRO 133 Ca -0.15 0.74 -0.14 0.00 -2.02 0.00 0.00 63.50 61.93 1k5d n PRO 133 Cb 0.51 -2.99 -0.14 0.00 -0.02 0.00 0.00 33.50 30.86 1k5d n PRO 133 CO 0.00 0.00 0.00 0.15 1.98 0.00 0.00 175.50 177.63 1k5d s LYS 134 N 5.31 0.11 0.64 -0.52 1.02 -0.77 -4.94 119.74 120.58 1k5d s LYS 134 Ca 0.96 0.47 -0.18 0.00 0.02 0.00 0.00 55.97 57.24 1k5d s LYS 134 Cb -0.48 -0.18 -0.01 0.00 -0.52 0.00 0.00 37.83 36.64 1k5d s LYS 134 CO 0.42 -0.20 1.30 -2.14 -0.92 0.00 0.00 175.35 173.81 1k5d s PRO 135 N 1.50 2.61 -0.06 -1.68 0.02 -1.25 -0.38 135.00 135.75 1k5d s PRO 135 Ca -0.06 2.08 -0.17 0.00 0.02 0.00 0.00 61.00 62.87 1k5d s PRO 135 Cb -0.11 -1.88 0.04 0.00 0.02 0.00 0.00 34.50 32.56 1k5d s PRO 135 CO -0.07 -1.56 0.40 -2.00 -0.33 0.00 0.00 177.00 173.44 1k5d s GLU 136 N -3.34 0.67 -0.47 5.54 2.56 -0.33 -4.82 118.70 118.51 1k5d s GLU 136 Ca 0.82 0.12 0.04 0.00 0.00 0.00 0.00 54.97 55.94 1k5d s GLU 136 Cb -0.38 0.31 0.12 0.00 2.00 0.00 0.00 34.13 36.18 1k5d s GLU 136 CO 0.40 -0.16 0.21 -1.17 -0.56 0.00 0.00 175.26 173.98 1k5d s LEU 137 N -0.82 4.26 0.00 2.70 0.20 -1.26 -1.56 118.68 122.20 1k5d s LEU 137 Ca -0.09 -2.77 -0.06 0.00 0.69 0.00 0.00 54.13 51.90 1k5d s LEU 137 Cb -0.04 -1.58 0.13 0.00 -0.43 0.00 0.00 46.19 44.27 1k5d s LEU 137 CO 0.04 -0.27 0.84 0.18 -0.29 0.00 0.00 176.35 176.85 1k5d n LEU 138 N 3.42 0.00 -3.49 -0.68 4.77 -0.99 -2.59 117.00 117.44 1k5d n LEU 138 Ca 0.05 -1.32 0.01 0.00 -0.03 0.00 0.00 56.01 54.72 1k5d n LEU 138 Cb 0.35 -0.60 -0.05 0.00 -2.33 0.00 0.00 43.42 40.78 1k5d n LEU 138 CO 0.30 -1.01 0.79 0.00 -1.33 0.00 0.00 177.39 176.14 1k5d s ALA 139 N -3.49 -2.69 -0.03 -1.18 0.00 -0.90 -2.99 121.76 110.48 1k5d s ALA 139 Ca 0.52 2.02 0.06 0.00 0.00 0.00 0.00 51.96 54.56 1k5d s ALA 139 Cb -0.02 -1.99 -0.01 0.00 0.00 0.00 0.00 23.12 21.10 1k5d s ALA 139 CO 0.35 -0.62 -0.20 -1.50 0.00 0.00 0.00 175.76 173.79 1k5d s ILE 140 N 1.70 1.64 0.11 0.00 2.07 -0.65 0.36 121.20 126.43 1k5d s ILE 140 Ca -0.05 -0.86 0.07 0.00 -1.41 0.00 0.00 60.65 58.40 1k5d s ILE 140 Cb -0.03 -1.38 -0.04 0.00 0.13 0.00 0.00 42.46 41.14 1k5d s ILE 140 CO -0.15 0.46 -0.11 -0.60 -1.91 0.00 0.00 174.94 172.64 1k5d s ARG 141 N -0.27 2.08 0.31 3.50 3.52 -0.48 -2.13 118.95 125.48 1k5d s ARG 141 Ca 0.02 -1.05 0.06 0.00 -0.13 0.00 0.00 55.73 54.64 1k5d s ARG 141 Cb -0.10 -2.28 -0.06 0.00 -1.56 0.00 0.00 34.95 30.95 1k5d s ARG 141 CO 0.01 0.50 -0.03 -0.06 -0.81 0.00 0.00 175.30 174.91 1k5d s PHE 142 N -1.21 2.08 0.05 5.12 0.08 -0.30 -2.28 117.98 121.51 1k5d s PHE 142 Ca 0.21 -0.73 -0.26 0.00 0.12 0.00 0.00 56.93 56.27 1k5d s PHE 142 Cb -0.11 -1.26 -0.17 0.00 -0.57 0.00 0.00 43.02 40.91 1k5d s PHE 142 CO 0.13 0.28 1.54 1.25 -0.10 0.00 0.00 175.22 178.32 1k5d h LEU 143 N 2.15 -0.25 -9.42 -0.37 5.85 -1.90 -3.45 115.31 107.93 1k5d h LEU 143 Ca -0.41 -0.10 -0.60 0.00 0.84 0.00 0.00 57.88 57.61 1k5d h LEU 143 Cb 1.24 0.06 -0.12 0.00 0.37 0.00 0.00 40.66 42.21 1k5d h LEU 143 CO 0.70 -0.05 -0.69 0.20 -0.34 0.00 0.00 178.44 178.26 1k5d s ASN 144 N -5.05 4.41 0.22 1.25 0.01 -1.26 -4.99 114.94 109.53 1k5d s ASN 144 Ca -0.15 -0.58 0.24 0.00 -0.71 0.00 0.00 52.86 51.67 1k5d s ASN 144 Cb 0.04 -0.80 0.92 0.00 0.41 0.00 0.00 41.25 41.82 1k5d s ASN 144 CO 0.63 0.07 1.72 0.00 -1.51 0.00 0.00 177.10 178.01 1k5d n ALA 145 N -0.28 1.84 0.08 0.60 0.00 -1.26 -1.85 120.51 119.65 1k5d n ALA 145 Ca -0.09 0.04 -0.05 0.00 0.00 0.00 0.00 53.44 53.35 1k5d n ALA 145 Cb 0.56 -1.40 -0.05 0.00 0.00 0.00 0.00 19.45 18.56 1k5d n ALA 145 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 177.50 178.55 1k5d h GLU 146 N 0.00 0.00 0.05 0.00 -0.00 -1.94 -2.94 114.58 109.75 1k5d h GLU 146 Ca 0.00 0.00 -0.27 0.00 -0.00 0.00 0.00 59.36 59.09 1k5d h GLU 146 Cb 0.46 0.00 0.02 0.00 -0.00 0.00 0.00 28.75 29.23 1k5d h GLU 146 CO 0.00 0.87 -1.10 -0.91 -0.00 0.00 0.00 179.01 177.87 1k5d h ASN 147 N 0.00 0.75 -0.56 3.06 2.35 -1.76 -2.47 115.58 116.95 1k5d h ASN 147 Ca -0.01 -0.64 0.08 0.00 -0.55 0.00 0.00 56.30 55.18 1k5d h ASN 147 Cb 1.62 -0.23 -0.03 0.00 0.05 0.00 0.00 38.32 39.72 1k5d h ASN 147 CO 0.11 1.45 0.38 0.00 -1.65 0.00 0.00 177.43 177.72 1k5d h ALA 148 N 0.48 1.96 -0.05 -0.83 0.00 -1.44 -0.31 119.26 119.07 1k5d h ALA 148 Ca -0.13 -0.01 -0.15 0.00 0.00 0.00 0.00 54.91 54.61 1k5d h ALA 148 Cb 1.76 -0.10 0.01 0.00 0.00 0.00 0.00 17.79 19.46 1k5d h ALA 148 CO 0.20 -0.07 -0.55 1.96 0.00 0.00 0.00 179.25 180.79 1k5d h GLN 149 N 0.44 0.47 -0.78 0.00 1.08 -1.41 0.48 115.11 115.39 1k5d h GLN 149 Ca 0.25 -0.43 0.04 0.00 -1.45 0.00 0.00 58.65 57.06 1k5d h GLN 149 Cb 0.43 0.11 -0.04 0.00 -0.05 0.00 0.00 27.48 27.92 1k5d h GLN 149 CO -0.07 1.08 0.51 0.87 -0.95 0.00 0.00 178.83 180.27 1k5d h LYS 150 N 0.01 0.90 -0.01 1.46 1.57 -0.83 0.60 116.57 120.28 1k5d h LYS 150 Ca -0.05 -0.05 -0.12 0.00 -1.87 0.00 0.00 60.65 58.55 1k5d h LYS 150 Cb 1.23 -0.20 0.01 0.00 0.08 0.00 0.00 32.23 33.34 1k5d h LYS 150 CO 0.11 0.60 -0.47 0.35 -0.57 0.00 0.00 179.45 179.47 1k5d h PHE 151 N 0.93 0.50 -0.07 -1.35 3.57 -1.09 -2.81 116.94 116.62 1k5d h PHE 151 Ca 0.31 -0.26 0.02 0.00 3.53 0.00 0.00 57.97 61.57 1k5d h PHE 151 Cb 0.08 -0.06 -0.02 0.00 2.79 0.00 0.00 35.95 38.74 1k5d h PHE 151 CO -0.00 1.07 -0.03 -0.22 -2.23 0.00 0.00 178.31 176.90 1k5d h LYS 152 N -0.22 -0.03 -0.08 1.11 3.64 -0.19 0.16 116.57 120.97 1k5d h LYS 152 Ca -0.06 0.00 0.02 0.00 -1.27 0.00 0.00 60.65 59.34 1k5d h LYS 152 Cb 1.19 0.01 -0.02 0.00 -0.41 0.00 0.00 32.23 33.00 1k5d h LYS 152 CO 0.09 -0.02 -0.02 0.00 -2.27 0.00 0.00 179.45 177.23 1k5d h THR 153 N -0.03 0.91 -0.67 1.00 1.03 0.08 0.14 112.91 115.38 1k5d h THR 153 Ca 0.04 0.00 0.03 0.00 -0.01 0.00 0.00 66.41 66.47 1k5d h THR 153 Cb 0.09 0.91 -0.04 0.00 -1.07 0.00 0.00 68.15 68.03 1k5d h THR 153 CO -0.09 0.00 0.42 0.50 -0.01 0.00 0.00 175.52 176.34 1k5d h LYS 154 N -0.01 0.80 -0.21 0.00 1.63 -1.29 -2.24 116.57 115.26 1k5d h LYS 154 Ca 0.04 -0.05 -0.00 0.00 -0.85 0.00 0.00 60.65 59.79 1k5d h LYS 154 Cb 0.07 -0.18 -0.01 0.00 -0.60 0.00 0.00 32.23 31.51 1k5d h LYS 154 CO -0.09 0.53 0.12 0.35 -3.45 0.00 0.00 179.45 176.91 1k5d h PHE 155 N 0.82 0.28 -0.01 1.91 3.57 -0.21 -2.20 116.94 121.10 1k5d h PHE 155 Ca 0.27 -0.00 0.03 0.00 3.53 0.00 0.00 57.97 61.80 1k5d h PHE 155 Cb 0.01 -0.09 -0.05 0.00 2.79 0.00 0.00 35.95 38.60 1k5d h PHE 155 CO -0.04 0.24 -0.33 0.93 -2.23 0.00 0.00 178.31 176.88 1k5d h GLU 156 N 0.24 -0.46 -0.84 1.11 3.07 -0.25 0.97 114.58 118.43 1k5d h GLU 156 Ca 0.07 0.03 -0.02 0.00 -0.50 0.00 0.00 59.36 58.94 1k5d h GLU 156 Cb 0.05 0.10 -0.04 0.00 -0.84 0.00 0.00 28.75 28.02 1k5d h GLU 156 CO -0.01 -0.30 0.44 1.05 -1.40 0.00 0.00 179.01 178.79 1k5d h GLU 157 N -0.47 1.19 -0.61 2.33 4.11 -1.38 0.33 114.58 120.08 1k5d h GLU 157 Ca 0.06 -0.15 -0.01 0.00 0.07 0.00 0.00 59.36 59.33 1k5d h GLU 157 Cb 0.56 -0.23 -0.03 0.00 0.50 0.00 0.00 28.75 29.56 1k5d h GLU 157 CO -0.28 0.88 0.34 0.00 0.07 0.00 0.00 179.01 180.03 1k5d h ARG 159 N 0.82 0.00 0.13 0.00 1.12 0.04 -1.77 114.38 114.72 1k5d h ARG 159 Ca 0.21 0.00 -0.01 0.00 -1.11 0.00 0.00 59.98 59.08 1k5d h ARG 159 Cb 0.03 0.00 0.00 0.00 -0.01 0.00 0.00 29.97 29.99 1k5d h ARG 159 CO -0.04 0.20 -0.06 -0.22 -3.11 0.00 0.00 179.97 176.74 1k5d h LYS 160 N 0.00 -0.16 -0.78 0.20 3.64 0.16 -2.86 116.57 116.77 1k5d h LYS 160 Ca -0.00 0.01 0.15 0.00 -1.27 0.00 0.00 60.65 59.54 1k5d h LYS 160 Cb 0.41 0.04 -0.10 0.00 -0.41 0.00 0.00 32.23 32.17 1k5d h LYS 160 CO 0.03 0.30 0.32 1.49 -2.27 0.00 0.00 179.45 179.32 1k5d h GLU 161 N -0.88 0.45 -0.57 1.90 4.81 -0.34 -0.75 114.58 119.19 1k5d h GLU 161 Ca -0.02 -0.03 -0.05 0.00 -0.13 0.00 0.00 59.36 59.14 1k5d h GLU 161 Cb 0.54 -0.10 -0.02 0.00 0.63 0.00 0.00 28.75 29.79 1k5d h GLU 161 CO 0.03 0.30 0.17 0.82 -0.73 0.00 0.00 179.01 179.60 1k5d h ILE 162 N 0.46 1.24 -0.02 2.32 2.04 -1.41 -1.19 117.51 120.95 1k5d h ILE 162 Ca 0.43 -0.83 -0.00 0.00 1.00 0.00 0.00 64.86 65.46 1k5d h ILE 162 Cb 0.66 0.69 -0.00 0.00 -0.74 0.00 0.00 36.82 37.43 1k5d h ILE 162 CO -0.41 0.31 0.01 -0.08 0.00 0.00 0.00 178.15 177.98 1k5d h GLU 163 N 0.81 0.03 -0.69 2.37 4.81 -1.02 -2.45 114.58 118.45 1k5d h GLU 163 Ca 0.18 -0.00 0.15 0.00 -0.13 0.00 0.00 59.36 59.56 1k5d h GLU 163 Cb 0.30 -0.01 -0.12 0.00 0.63 0.00 0.00 28.75 29.55 1k5d h GLU 163 CO -0.00 0.15 -0.02 0.93 -0.73 0.00 0.00 179.01 179.34 1k5d h GLU 164 N -0.10 0.09 0.00 1.92 5.08 -0.98 -3.22 114.58 117.37 1k5d h GLU 164 Ca 0.01 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1k5d h GLU 164 Cb 0.13 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.36 1k5d h GLU 164 CO -0.00 0.06 0.00 -2.13 -1.00 0.00 0.00 179.01 175.94 1k5d n ARG 165 N -5.33 0.00 -1.68 2.33 0.63 -0.47 -4.38 116.66 107.77 1k5d n ARG 165 Ca 0.11 0.00 -0.52 0.00 -0.92 0.00 0.00 57.85 56.53 1k5d n ARG 165 Cb 0.41 -0.32 -0.06 0.00 0.45 0.00 0.00 32.46 32.94 1k5d n ARG 165 CO 0.00 0.00 0.00 -0.85 -2.51 0.00 0.00 177.63 174.27 1k5d n GLU 166 N 0.00 1.69 0.00 -0.14 0.00 -1.22 -5.11 120.64 115.86 1k5d n GLU 166 Ca 0.00 0.62 0.00 0.00 0.00 0.00 0.00 57.16 57.78 1k5d n GLU 166 Cb 0.00 -2.37 0.00 0.00 0.00 0.00 0.00 31.44 29.07 1k5d n GLU 166 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.13 178.76