#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1k5p n LEU 3 N 0.00 0.00 0.00 1.04 4.77 -1.26 -4.78 117.00 116.77 1k5p n LEU 3 Ca 0.00 -1.11 0.00 0.00 -0.03 0.00 0.00 56.01 54.87 1k5p n LEU 3 Cb 0.00 -0.57 0.00 0.00 -2.33 0.00 0.00 43.42 40.52 1k5p n LEU 3 CO 0.00 -1.01 0.00 0.61 -1.33 0.00 0.00 177.39 175.66 1k5p n GLY 4 N -0.40 4.39 0.05 -0.72 0.00 -1.26 -5.02 105.19 102.23 1k5p n GLY 4 Ca 0.11 -1.07 0.10 0.00 0.00 0.00 0.00 46.02 45.16 1k5p n GLY 4 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1k5p n ALA 5 N -1.74 4.56 -1.77 4.61 0.00 -1.26 -4.91 120.51 120.00 1k5p n ALA 5 Ca 0.00 -0.59 -0.38 0.00 0.00 0.00 0.00 53.44 52.47 1k5p n ALA 5 Cb 0.00 -0.80 -0.03 0.00 0.00 0.00 0.00 19.45 18.63 1k5p n ALA 5 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.50 177.71 1k5p s LYS 6 N -2.94 4.18 0.66 0.00 2.20 -1.26 -4.86 119.74 117.72 1k5p s LYS 6 Ca 0.09 1.81 -0.13 0.00 -0.36 0.00 0.00 55.97 57.38 1k5p s LYS 6 Cb 0.16 -2.76 -0.00 0.00 -1.51 0.00 0.00 37.83 33.72 1k5p s LYS 6 CO 0.83 -0.20 1.07 -1.25 -0.36 0.00 0.00 175.35 175.44 1k5p s PRO 7 N -2.16 2.96 0.37 4.03 0.04 -1.26 -4.92 135.00 134.06 1k5p s PRO 7 Ca 0.55 1.16 0.15 0.00 0.04 0.00 0.00 61.00 62.89 1k5p s PRO 7 Cb -0.30 -1.99 0.71 0.00 0.04 0.00 0.00 34.50 32.96 1k5p s PRO 7 CO 0.38 -1.09 1.79 0.35 0.04 0.00 0.00 177.00 178.47 1k5p h PHE 8 N -0.20 0.00 -2.55 0.56 3.57 -1.95 -3.47 116.94 112.90 1k5p h PHE 8 Ca -0.45 0.00 0.08 0.00 3.53 0.00 0.00 57.97 61.13 1k5p h PHE 8 Cb 1.22 0.00 -0.01 0.00 2.79 0.00 0.00 35.95 39.95 1k5p h PHE 8 CO 0.59 0.40 0.41 0.41 -2.23 0.00 0.00 178.31 177.88 1k5p n GLY 9 N -0.21 0.85 3.86 2.40 0.00 -1.26 -5.08 105.19 105.75 1k5p n GLY 9 Ca -0.01 -1.15 -0.33 0.00 0.00 0.00 0.00 46.02 44.52 1k5p n GLY 9 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1k5p s GLU 10 N -2.05 3.88 0.28 1.61 2.02 -1.26 -5.03 118.70 118.15 1k5p s GLU 10 Ca 0.17 0.37 -0.29 0.00 0.02 0.00 0.00 54.97 55.24 1k5p s GLU 10 Cb -0.03 -2.78 -0.09 0.00 0.10 0.00 0.00 34.13 31.32 1k5p s GLU 10 CO 0.07 0.40 1.05 0.15 0.02 0.00 0.00 175.26 176.94 1k5p s LYS 11 N -2.41 4.65 0.31 1.61 -0.14 -1.26 -4.65 119.74 117.85 1k5p s LYS 11 Ca 0.43 1.68 0.08 0.00 -1.36 0.00 0.00 55.97 56.80 1k5p s LYS 11 Cb -0.13 -3.14 -0.03 0.00 -1.68 0.00 0.00 37.83 32.85 1k5p s LYS 11 CO 0.20 0.26 0.22 0.15 -0.76 0.00 0.00 175.35 175.42 1k5p s LYS 12 N -1.49 2.65 0.03 1.68 1.02 -0.15 -4.93 119.74 118.56 1k5p s LYS 12 Ca 0.45 -1.31 0.04 0.00 0.02 0.00 0.00 55.97 55.16 1k5p s LYS 12 Cb -0.29 -2.40 -0.02 0.00 -0.52 0.00 0.00 37.83 34.60 1k5p s LYS 12 CO 0.37 0.18 -0.11 -0.06 -0.92 0.00 0.00 175.35 174.81 1k5p s PHE 13 N -2.30 0.99 -0.02 3.18 0.40 -1.26 -2.17 117.98 116.80 1k5p s PHE 13 Ca 0.38 -0.35 0.01 0.00 -0.60 0.00 0.00 56.93 56.37 1k5p s PHE 13 Cb -0.05 -0.59 0.01 0.00 0.51 0.00 0.00 43.02 42.89 1k5p s PHE 13 CO 0.25 0.00 -0.05 0.42 0.70 0.00 0.00 175.22 176.54 1k5p s ILE 14 N -0.86 0.43 -0.11 0.64 1.01 -0.83 -4.97 121.20 116.50 1k5p s ILE 14 Ca -0.01 -0.17 -0.29 0.00 0.00 0.00 0.00 60.65 60.19 1k5p s ILE 14 Cb -0.07 -0.41 -0.01 0.00 0.01 0.00 0.00 42.46 41.97 1k5p s ILE 14 CO 0.01 0.15 0.96 -1.61 0.00 0.00 0.00 174.94 174.46 1k5p s GLU 15 N 0.30 4.40 -0.21 2.79 0.41 -1.26 -0.79 118.70 124.34 1k5p s GLU 15 Ca -0.03 1.31 -0.00 0.00 -0.41 0.00 0.00 54.97 55.83 1k5p s GLU 15 Cb -0.07 -3.54 0.05 0.00 -1.78 0.00 0.00 34.13 28.79 1k5p s GLU 15 CO -0.00 -0.30 -0.04 0.42 -0.49 0.00 0.00 175.26 174.85 1k5p s ILE 16 N 1.97 1.23 -1.54 -1.63 -1.09 0.88 -4.84 121.20 116.19 1k5p s ILE 16 Ca 0.46 -0.94 0.00 0.00 -2.23 0.00 0.00 60.65 57.95 1k5p s ILE 16 Cb -0.18 -1.52 0.00 0.00 -1.58 0.00 0.00 42.46 39.18 1k5p s ILE 16 CO 0.17 -0.05 0.00 0.29 -1.23 0.00 0.00 174.94 174.12 1k5p n LYS 17 N 4.80 -1.68 0.00 2.79 5.02 -1.26 -1.29 118.16 126.53 1k5p n LYS 17 Ca -0.12 0.86 0.00 0.00 -2.02 0.00 0.00 58.31 57.04 1k5p n LYS 17 Cb 0.46 -5.34 0.00 0.00 -0.02 0.00 0.00 35.03 30.13 1k5p n LYS 17 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1k5p n GLY 18 N -0.61 0.29 3.48 0.72 0.00 -1.26 -5.08 105.19 102.73 1k5p n GLY 18 Ca -0.18 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.52 1k5p n GLY 18 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1k5p s ARG 19 N -0.83 2.44 -0.15 1.61 1.81 -0.41 -5.09 118.95 118.32 1k5p s ARG 19 Ca 0.00 -0.74 -0.25 0.00 -1.72 0.00 0.00 55.73 53.01 1k5p s ARG 19 Cb 0.00 -2.36 -0.02 0.00 -0.45 0.00 0.00 34.95 32.13 1k5p s ARG 19 CO 0.00 0.61 0.82 0.50 -0.68 0.00 0.00 175.30 176.55 1k5p s ARG 20 N -0.91 4.32 -0.04 3.54 3.52 -1.26 -0.08 118.95 128.04 1k5p s ARG 20 Ca 0.12 1.02 -0.00 0.00 -0.13 0.00 0.00 55.73 56.74 1k5p s ARG 20 Cb -0.11 -3.56 -0.03 0.00 -1.56 0.00 0.00 34.95 29.69 1k5p s ARG 20 CO 0.02 -0.28 0.00 -1.64 -0.81 0.00 0.00 175.30 172.59 1k5p s MET 21 N 1.97 2.89 0.04 5.12 -1.94 0.03 -1.30 119.30 126.11 1k5p s MET 21 Ca 0.39 -0.51 0.01 0.00 -1.71 0.00 0.00 55.69 53.87 1k5p s MET 21 Cb -0.17 -2.73 -0.04 0.00 2.01 0.00 0.00 34.83 33.90 1k5p s MET 21 CO 0.14 0.66 0.11 0.00 -0.01 0.00 0.00 175.02 175.92 1k5p s ALA 22 N -0.99 3.68 0.14 3.03 0.00 -1.26 -1.96 121.76 124.40 1k5p s ALA 22 Ca 0.17 -0.91 -0.24 0.00 0.00 0.00 0.00 51.96 50.98 1k5p s ALA 22 Cb -0.11 -1.60 0.07 0.00 0.00 0.00 0.00 23.12 21.48 1k5p s ALA 22 CO 0.06 0.74 0.61 1.52 0.00 0.00 0.00 175.76 178.69 1k5p s TYR 23 N -1.33 -0.55 -0.15 0.00 1.13 -0.92 -1.90 117.35 113.63 1k5p s TYR 23 Ca 0.28 0.41 -0.08 0.00 -1.41 0.00 0.00 57.07 56.27 1k5p s TYR 23 Cb -0.12 0.54 -0.04 0.00 -1.10 0.00 0.00 41.96 41.23 1k5p s TYR 23 CO 0.20 -0.82 0.13 0.42 -2.51 0.00 0.00 175.55 172.96 1k5p s ILE 24 N -3.48 5.42 -0.26 -3.49 1.01 -0.61 -0.97 121.20 118.82 1k5p s ILE 24 Ca -0.00 0.18 -0.02 0.00 0.00 0.00 0.00 60.65 60.81 1k5p s ILE 24 Cb -0.01 -3.41 0.12 0.00 0.01 0.00 0.00 42.46 39.18 1k5p s ILE 24 CO -0.11 0.54 0.28 -0.62 0.00 0.00 0.00 174.94 175.04 1k5p s ASP 25 N -0.42 1.41 -0.00 3.58 2.15 -1.25 -2.05 116.67 120.07 1k5p s ASP 25 Ca 0.12 -0.46 0.04 0.00 0.43 0.00 0.00 52.55 52.68 1k5p s ASP 25 Cb -0.12 0.54 -0.01 0.00 -0.30 0.00 0.00 42.92 43.03 1k5p s ASP 25 CO 0.01 -0.36 -0.14 -1.61 -0.17 0.00 0.00 175.17 172.90 1k5p s GLU 26 N 2.37 1.13 0.72 4.34 0.41 -0.91 -5.00 118.70 121.77 1k5p s GLU 26 Ca 0.09 -0.55 0.00 0.00 -0.41 0.00 0.00 54.97 54.10 1k5p s GLU 26 Cb -0.15 -1.11 0.00 0.00 -1.78 0.00 0.00 34.13 31.10 1k5p s GLU 26 CO -0.24 0.30 0.00 0.41 -0.49 0.00 0.00 175.26 175.24 1k5p n GLY 27 N 2.61 -2.04 3.15 -1.39 0.00 -1.26 -1.41 105.19 104.85 1k5p n GLY 27 Ca -0.15 -1.59 -0.10 0.00 0.00 0.00 0.00 46.02 44.19 1k5p n GLY 27 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1k5p s THR 28 N -0.05 0.11 0.00 2.61 -1.32 -1.25 -4.69 115.64 111.05 1k5p s THR 28 Ca 0.00 -1.89 0.00 0.00 -1.21 0.00 0.00 61.69 58.59 1k5p s THR 28 Cb 0.00 -2.01 0.00 0.00 -1.51 0.00 0.00 72.50 68.98 1k5p s THR 28 CO 0.00 -0.49 0.00 0.61 -2.21 0.00 0.00 174.62 172.53 1k5p n GLY 29 N -0.09 -0.61 3.75 6.08 0.00 -1.26 -2.79 105.19 110.27 1k5p n GLY 29 Ca -0.06 -2.22 -0.36 0.00 0.00 0.00 0.00 46.02 43.38 1k5p n GLY 29 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1k5p s ASP 30 N -3.32 5.03 0.44 1.61 1.01 -1.26 -3.40 116.67 116.77 1k5p s ASP 30 Ca 0.00 2.38 -0.23 0.00 0.71 0.00 0.00 52.55 55.41 1k5p s ASP 30 Cb 0.00 -2.60 -0.08 0.00 1.01 0.00 0.00 42.92 41.25 1k5p s ASP 30 CO 0.00 -1.70 1.12 -2.84 0.21 0.00 0.00 175.17 171.96 1k5p s PRO 31 N -3.44 3.91 -0.23 8.23 0.02 -1.26 -1.56 135.00 140.67 1k5p s PRO 31 Ca 0.77 1.67 0.01 0.00 0.02 0.00 0.00 61.00 63.47 1k5p s PRO 31 Cb -0.30 -2.45 0.06 0.00 0.02 0.00 0.00 34.50 31.83 1k5p s PRO 31 CO 0.35 -0.40 -0.05 0.42 -0.33 0.00 0.00 177.00 176.99 1k5p s ILE 32 N -1.59 1.47 -0.35 2.83 1.01 -0.68 -2.47 121.20 121.41 1k5p s ILE 32 Ca 0.61 -1.15 -0.10 0.00 0.00 0.00 0.00 60.65 60.01 1k5p s ILE 32 Cb -0.26 -1.73 0.02 0.00 0.01 0.00 0.00 42.46 40.49 1k5p s ILE 32 CO 0.32 -0.08 0.18 -0.22 0.00 0.00 0.00 174.94 175.13 1k5p s LEU 33 N 1.43 4.47 -0.25 2.97 2.96 0.23 -2.29 118.68 128.19 1k5p s LEU 33 Ca -0.05 -0.86 -0.11 0.00 -0.22 0.00 0.00 54.13 52.89 1k5p s LEU 33 Cb -0.18 -2.00 -0.05 0.00 0.50 0.00 0.00 46.19 44.46 1k5p s LEU 33 CO -0.06 -0.32 0.20 -0.36 -1.32 0.00 0.00 176.35 174.49 1k5p s PHE 34 N 1.56 3.30 -0.16 5.38 0.40 -0.62 -1.00 117.98 126.83 1k5p s PHE 34 Ca 0.02 0.24 0.00 0.00 -0.60 0.00 0.00 56.93 56.60 1k5p s PHE 34 Cb -0.18 -2.33 0.03 0.00 0.51 0.00 0.00 43.02 41.04 1k5p s PHE 34 CO 0.06 -0.00 -0.13 -1.14 0.70 0.00 0.00 175.22 174.70 1k5p s GLN 35 N 1.28 2.21 0.80 0.44 2.00 -0.32 -3.85 119.66 122.22 1k5p s GLN 35 Ca 0.09 -0.60 -0.11 0.00 -2.00 0.00 0.00 55.36 52.73 1k5p s GLN 35 Cb -0.14 -2.15 0.08 0.00 0.80 0.00 0.00 33.01 31.60 1k5p s GLN 35 CO 0.06 -0.28 1.16 -3.38 -0.50 0.00 0.00 175.29 172.36 1k5p s HIS 36 N 1.48 2.93 0.00 1.67 -3.43 -1.26 -3.01 115.29 113.67 1k5p s HIS 36 Ca 0.04 0.70 0.00 0.00 -0.80 0.00 0.00 55.06 55.00 1k5p s HIS 36 Cb -0.13 -3.46 0.00 0.00 -1.43 0.00 0.00 32.58 27.55 1k5p s HIS 36 CO -0.10 -1.74 0.00 0.41 -2.00 0.00 0.00 174.74 171.31 1k5p n GLY 37 N -3.27 5.34 3.79 -1.38 0.00 -1.25 -3.50 105.19 104.92 1k5p n GLY 37 Ca 0.08 -1.41 -0.36 0.00 0.00 0.00 0.00 46.02 44.33 1k5p n GLY 37 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1k5p s ASN 38 N 1.00 6.40 -0.71 1.61 2.47 -1.26 -1.70 114.94 122.75 1k5p s ASN 38 Ca 0.00 0.47 0.01 0.00 0.42 0.00 0.00 52.86 53.76 1k5p s ASN 38 Cb 0.00 -2.13 0.37 0.00 -1.45 0.00 0.00 41.25 38.04 1k5p s ASN 38 CO 0.00 0.24 1.67 -0.81 -3.72 0.00 0.00 177.10 174.49 1k5p n PRO 39 N 2.87 3.12 -0.46 0.43 -0.04 -1.26 -4.96 135.00 134.70 1k5p n PRO 39 Ca -0.16 -3.95 0.00 0.00 -0.04 0.00 0.00 63.50 59.35 1k5p n PRO 39 Cb 0.53 -2.27 0.00 0.00 -0.04 0.00 0.00 33.50 31.72 1k5p n PRO 39 CO 0.00 0.00 0.00 0.25 -0.04 0.00 0.00 175.50 175.71 1k5p n THR 40 N -0.49 0.00 -3.36 0.52 -2.24 -0.69 -4.99 114.28 103.03 1k5p n THR 40 Ca 0.48 0.00 -0.02 0.00 -2.27 0.00 0.00 64.05 62.24 1k5p n THR 40 Cb 0.38 -1.01 0.00 0.00 -2.10 0.00 0.00 70.33 67.60 1k5p n THR 40 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 1k5p n SER 41 N -1.39 -0.38 0.03 3.42 3.41 -1.26 -4.55 113.62 112.89 1k5p n SER 41 Ca 0.00 -1.34 0.22 0.00 -0.26 0.00 0.00 58.87 57.48 1k5p n SER 41 Cb 0.00 0.66 0.73 0.00 -0.26 0.00 0.00 64.21 65.34 1k5p n SER 41 CO 0.00 0.00 0.00 0.77 -0.16 0.00 0.00 175.04 175.65 1k5p h SER 42 N 0.39 0.00 -0.61 4.04 4.64 -1.87 -1.78 113.55 118.36 1k5p h SER 42 Ca -0.06 0.00 0.18 0.00 -0.47 0.00 0.00 61.79 61.44 1k5p h SER 42 Cb 0.24 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.31 1k5p h SER 42 CO 0.08 0.00 0.46 0.22 -0.87 0.00 0.00 176.83 176.72 1k5p h TYR 43 N 0.00 0.00 -0.57 4.77 3.20 -1.95 -2.18 116.97 120.24 1k5p h TYR 43 Ca 0.24 0.00 0.09 0.00 3.14 0.00 0.00 58.73 62.20 1k5p h TYR 43 Cb 1.15 0.00 -0.03 0.00 1.54 0.00 0.00 36.73 39.39 1k5p h TYR 43 CO 0.00 0.00 0.38 1.25 -1.64 0.00 0.00 178.16 178.15 1k5p h LEU 44 N 0.00 0.35 -2.25 2.82 6.46 -1.73 -1.95 115.31 119.01 1k5p h LEU 44 Ca 0.29 0.01 0.00 0.00 -0.12 0.00 0.00 57.88 58.06 1k5p h LEU 44 Cb 1.21 -0.07 0.00 0.00 -0.73 0.00 0.00 40.66 41.07 1k5p h LEU 44 CO -0.00 0.21 0.00 0.79 -0.62 0.00 0.00 178.44 178.82 1k5p n TRP 45 N -4.47 0.79 -0.21 1.25 7.02 -0.82 -4.66 117.44 116.35 1k5p n TRP 45 Ca 0.09 -0.40 0.13 0.00 -1.02 0.00 0.00 57.50 56.31 1k5p n TRP 45 Cb 0.35 0.00 0.44 0.00 -2.42 0.00 0.00 31.31 29.68 1k5p n TRP 45 CO 0.00 0.00 0.00 0.07 -2.02 0.00 0.00 177.69 175.74 1k5p h ARG 46 N 3.62 0.54 -0.29 -0.99 0.11 -1.46 -1.07 114.38 114.85 1k5p h ARG 46 Ca 0.00 -0.03 0.00 0.00 0.10 0.00 0.00 59.98 60.05 1k5p h ARG 46 Cb 0.83 -0.12 0.00 0.00 1.11 0.00 0.00 29.97 31.78 1k5p h ARG 46 CO 0.00 0.36 0.00 0.09 0.10 0.00 0.00 179.97 180.52 1k5p n ASN 47 N -4.51 3.24 -0.12 0.08 3.02 -1.26 -4.30 115.26 111.41 1k5p n ASN 47 Ca 0.15 -1.96 -0.19 0.00 -0.03 0.00 0.00 54.58 52.56 1k5p n ASN 47 Cb 0.48 -0.18 -0.10 0.00 -0.61 0.00 0.00 39.78 39.37 1k5p n ASN 47 CO 0.00 0.00 0.00 -0.38 -2.62 0.00 0.00 177.26 174.26 1k5p n ILE 48 N 1.36 1.32 -0.24 2.41 5.41 -0.62 -4.51 119.36 124.49 1k5p n ILE 48 Ca 0.17 -0.46 0.10 0.00 1.00 0.00 0.00 62.75 63.56 1k5p n ILE 48 Cb 0.57 -1.45 0.36 0.00 -0.71 0.00 0.00 39.64 38.42 1k5p n ILE 48 CO 0.00 0.00 0.00 0.24 0.00 0.00 0.00 176.55 176.79 1k5p h MET 49 N -0.23 0.71 -0.51 0.38 2.86 -1.42 -2.70 114.93 114.01 1k5p h MET 49 Ca -0.54 -0.04 0.13 0.00 -2.06 0.00 0.00 59.70 57.18 1k5p h MET 49 Cb 1.73 -0.16 -0.02 0.00 0.06 0.00 0.00 31.60 33.20 1k5p h MET 49 CO -0.16 0.47 0.36 -1.35 1.06 0.00 0.00 176.91 177.29 1k5p h PRO 50 N 0.73 0.11 -0.11 -0.22 0.11 -1.81 -1.62 132.00 129.20 1k5p h PRO 50 Ca 0.40 -0.01 0.03 0.00 0.11 0.00 0.00 66.00 66.53 1k5p h PRO 50 Cb 0.54 -0.03 -0.00 0.00 0.11 0.00 0.00 31.00 31.62 1k5p h PRO 50 CO -0.16 0.07 0.11 0.45 -0.21 0.00 0.00 178.00 178.26 1k5p h HIS 51 N 0.12 0.00 -0.61 0.65 3.86 -1.77 -2.11 115.15 115.30 1k5p h HIS 51 Ca 0.24 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.45 1k5p h HIS 51 Cb 0.81 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.28 1k5p h HIS 51 CO -0.00 0.00 0.00 0.00 0.86 0.00 0.00 177.93 178.79 1k5p n ALA 53 N 1.13 1.03 -0.12 0.00 0.00 -0.79 -1.18 120.51 120.58 1k5p n ALA 53 Ca 0.23 0.45 0.00 0.00 0.00 0.00 0.00 53.44 54.12 1k5p n ALA 53 Cb 0.73 -2.31 0.00 0.00 0.00 0.00 0.00 19.45 17.87 1k5p n ALA 53 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1k5p n GLY 54 N 3.15 2.11 0.03 0.00 0.00 -1.26 -4.87 105.19 104.35 1k5p n GLY 54 Ca 0.16 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.30 1k5p n GLY 54 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1k5p n LEU 55 N 0.00 0.63 0.00 0.99 4.77 -0.33 -5.04 117.00 118.02 1k5p n LEU 55 Ca 0.00 -0.01 0.00 0.00 -0.03 0.00 0.00 56.01 55.97 1k5p n LEU 55 Cb 0.00 -0.13 0.00 0.00 -2.33 0.00 0.00 43.42 40.96 1k5p n LEU 55 CO 0.00 0.06 0.00 0.61 -1.33 0.00 0.00 177.39 176.73 1k5p n GLY 56 N 1.40 -1.71 3.62 -0.72 0.00 -1.25 -4.73 105.19 101.80 1k5p n GLY 56 Ca 0.03 -1.10 -0.43 0.00 0.00 0.00 0.00 46.02 44.52 1k5p n GLY 56 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1k5p s ARG 57 N -1.59 3.97 -0.38 1.61 3.52 -0.60 -3.92 118.95 121.55 1k5p s ARG 57 Ca 0.00 0.88 -0.19 0.00 -0.13 0.00 0.00 55.73 56.29 1k5p s ARG 57 Cb 0.00 -3.77 0.01 0.00 -1.56 0.00 0.00 34.95 29.62 1k5p s ARG 57 CO 0.00 -0.97 0.54 -0.51 -0.81 0.00 0.00 175.30 173.55 1k5p s LEU 58 N 3.69 4.47 -0.05 -0.88 1.43 -0.50 -1.69 118.68 125.16 1k5p s LEU 58 Ca 0.44 -0.21 0.04 0.00 -1.03 0.00 0.00 54.13 53.37 1k5p s LEU 58 Cb -0.11 -2.59 -0.00 0.00 0.03 0.00 0.00 46.19 43.51 1k5p s LEU 58 CO 0.18 -0.57 -0.18 -0.63 0.23 0.00 0.00 176.35 175.38 1k5p s ILE 59 N 2.47 1.50 -0.17 -0.59 1.01 -0.97 -2.14 121.20 122.31 1k5p s ILE 59 Ca 0.19 -0.76 -0.04 0.00 0.00 0.00 0.00 60.65 60.04 1k5p s ILE 59 Cb -0.15 -1.29 0.06 0.00 0.01 0.00 0.00 42.46 41.09 1k5p s ILE 59 CO 0.15 0.43 0.07 0.00 0.00 0.00 0.00 174.94 175.59 1k5p s ALA 60 N 0.03 0.59 0.13 9.38 0.00 -0.87 -1.59 121.76 129.42 1k5p s ALA 60 Ca -0.04 -0.41 -0.16 0.00 0.00 0.00 0.00 51.96 51.35 1k5p s ALA 60 Cb -0.12 -1.06 -0.07 0.00 0.00 0.00 0.00 23.12 21.87 1k5p s ALA 60 CO 0.02 -1.15 0.56 0.00 0.00 0.00 0.00 175.76 175.19 1k5p s ASP 62 N -1.52 6.37 0.77 0.00 1.01 -0.80 -4.36 116.67 118.14 1k5p s ASP 62 Ca 0.35 0.44 -0.14 0.00 0.71 0.00 0.00 52.55 53.91 1k5p s ASP 62 Cb -0.16 -2.24 0.06 0.00 1.01 0.00 0.00 42.92 41.59 1k5p s ASP 62 CO 0.19 -0.18 1.20 -0.76 0.21 0.00 0.00 175.17 175.83 1k5p s LEU 63 N 1.89 3.22 0.32 1.23 1.43 -1.26 -4.63 118.68 120.87 1k5p s LEU 63 Ca 0.18 2.32 -0.28 0.00 -1.03 0.00 0.00 54.13 55.32 1k5p s LEU 63 Cb -0.15 -4.58 -0.13 0.00 0.03 0.00 0.00 46.19 41.35 1k5p s LEU 63 CO 0.09 -2.43 1.20 0.00 0.23 0.00 0.00 176.35 175.44 1k5p n ILE 64 N -3.04 1.92 -0.87 -0.59 0.13 -1.26 -0.88 119.36 114.77 1k5p n ILE 64 Ca 0.13 -0.48 0.00 0.00 -1.10 0.00 0.00 62.75 61.30 1k5p n ILE 64 Cb 0.51 -1.36 0.00 0.00 -0.84 0.00 0.00 39.64 37.94 1k5p n ILE 64 CO 0.00 0.00 0.00 0.61 2.80 0.00 0.00 176.55 179.96 1k5p n GLY 65 N 1.03 0.72 3.44 4.50 0.00 -0.73 -4.99 105.19 109.16 1k5p n GLY 65 Ca 0.07 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.86 1k5p n GLY 65 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1k5p s MET 66 N -0.28 1.59 6.00 1.61 -1.94 -0.06 -4.87 119.30 121.35 1k5p s MET 66 Ca 0.00 -1.75 0.00 0.00 -1.71 0.00 0.00 55.69 52.23 1k5p s MET 66 Cb 0.00 -1.52 0.00 0.00 2.01 0.00 0.00 34.83 35.32 1k5p s MET 66 CO 0.00 0.23 0.00 0.41 -0.01 0.00 0.00 175.02 175.65 1k5p n GLY 67 N -0.58 3.40 1.17 -0.03 0.00 -1.26 -1.93 105.19 105.97 1k5p n GLY 67 Ca -0.06 -0.04 0.08 0.00 0.00 0.00 0.00 46.02 46.00 1k5p n GLY 67 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1k5p n ASP 68 N 4.32 4.04 -4.80 1.61 8.00 -1.26 -4.62 116.55 123.85 1k5p n ASP 68 Ca 0.00 -2.42 -0.36 0.00 0.71 0.00 0.00 54.79 52.72 1k5p n ASP 68 Cb 0.00 -0.47 -0.06 0.00 -0.02 0.00 0.00 41.12 40.57 1k5p n ASP 68 CO 0.00 0.00 0.00 -0.44 -0.39 0.00 0.00 177.20 176.37 1k5p s SER 69 N -1.15 7.21 0.72 -2.24 0.01 -0.81 -4.35 113.70 113.08 1k5p s SER 69 Ca 0.42 1.69 -0.16 0.00 1.31 0.00 0.00 55.95 59.21 1k5p s SER 69 Cb 0.27 -2.53 0.01 0.00 0.21 0.00 0.00 66.02 63.98 1k5p s SER 69 CO 0.19 -0.07 0.97 0.47 0.41 0.00 0.00 173.24 175.21 1k5p n ASP 70 N 0.48 0.47 -4.85 2.44 8.00 -0.42 -4.09 116.55 118.59 1k5p n ASP 70 Ca 0.01 0.67 -0.33 0.00 0.71 0.00 0.00 54.79 55.85 1k5p n ASP 70 Cb 0.51 -1.41 -0.06 0.00 -0.02 0.00 0.00 41.12 40.14 1k5p n ASP 70 CO 0.00 0.00 0.00 -0.54 -0.39 0.00 0.00 177.20 176.27 1k5p s LYS 71 N -3.33 3.99 0.17 -1.24 -0.14 -1.26 -1.77 119.74 116.18 1k5p s LYS 71 Ca 0.73 0.59 -0.22 0.00 -1.36 0.00 0.00 55.97 55.71 1k5p s LYS 71 Cb -0.35 -2.62 -0.08 0.00 -1.68 0.00 0.00 37.83 33.10 1k5p s LYS 71 CO 0.50 0.28 0.73 -0.51 -0.76 0.00 0.00 175.35 175.59 1k5p s LEU 72 N -2.64 4.49 -0.14 3.17 1.43 -1.26 -4.94 118.68 118.79 1k5p s LEU 72 Ca 0.49 1.51 -0.05 0.00 -1.03 0.00 0.00 54.13 55.04 1k5p s LEU 72 Cb -0.12 -3.35 0.07 0.00 0.03 0.00 0.00 46.19 42.82 1k5p s LEU 72 CO 0.19 0.15 0.28 -0.62 0.23 0.00 0.00 176.35 176.59 1k5p s ASP 73 N -1.33 0.26 0.77 2.29 3.68 -1.26 -4.25 116.67 116.82 1k5p s ASP 73 Ca 0.37 0.65 -0.14 0.00 2.13 0.00 0.00 52.55 55.57 1k5p s ASP 73 Cb -0.20 0.79 0.06 0.00 -1.45 0.00 0.00 42.92 42.12 1k5p s ASP 73 CO 0.23 -0.24 1.19 -2.16 0.13 0.00 0.00 175.17 174.32 1k5p s PRO 74 N 2.43 1.93 0.02 4.34 0.04 -1.26 -5.22 135.00 137.28 1k5p s PRO 74 Ca 0.01 1.69 0.00 0.00 0.04 0.00 0.00 61.00 62.73 1k5p s PRO 74 Cb -0.12 -1.82 -0.02 0.00 0.04 0.00 0.00 34.50 32.59 1k5p s PRO 74 CO -0.09 -1.98 -0.03 0.45 0.04 0.00 0.00 177.00 175.39 1k5p s SER 75 N -2.23 0.24 0.00 6.66 0.15 -1.26 -5.00 113.70 112.25 1k5p s SER 75 Ca 0.72 -0.42 0.00 0.00 0.70 0.00 0.00 55.95 56.96 1k5p s SER 75 Cb -0.27 0.08 0.00 0.00 -1.71 0.00 0.00 66.02 64.12 1k5p s SER 75 CO 0.48 -0.24 0.00 0.61 1.20 0.00 0.00 173.24 175.29 1k5p n GLY 76 N 1.85 -1.01 0.40 9.45 0.00 -1.26 -5.00 105.19 109.62 1k5p n GLY 76 Ca -0.22 -0.74 0.22 0.00 0.00 0.00 0.00 46.02 45.28 1k5p n GLY 76 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 1k5p h PRO 77 N 0.00 0.00 -0.01 1.61 0.11 -2.01 -0.65 132.00 131.04 1k5p h PRO 77 Ca 0.00 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.11 1k5p h PRO 77 Cb 0.00 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.11 1k5p h PRO 77 CO 0.00 0.00 -0.14 0.39 -0.21 0.00 0.00 178.00 178.04 1k5p n GLU 78 N -4.13 1.26 -3.23 1.05 1.02 -1.26 -4.95 120.64 110.40 1k5p n GLU 78 Ca 0.10 -0.76 -0.28 0.00 -0.02 0.00 0.00 57.16 56.21 1k5p n GLU 78 Cb 0.66 -1.48 -0.03 0.00 -0.02 0.00 0.00 31.44 30.57 1k5p n GLU 78 CO 0.00 0.00 0.00 0.50 1.18 0.00 0.00 177.13 178.81 1k5p s ARG 79 N -2.27 3.62 -1.50 3.49 6.06 -0.25 -4.43 118.95 123.67 1k5p s ARG 79 Ca 0.30 0.02 -0.04 0.00 -2.50 0.00 0.00 55.73 53.51 1k5p s ARG 79 Cb 0.20 -2.60 0.00 0.00 0.06 0.00 0.00 34.95 32.62 1k5p s ARG 79 CO 0.43 0.14 0.54 0.66 -2.50 0.00 0.00 175.30 174.57 1k5p n TYR 80 N -1.21 -1.80 -1.72 5.12 4.01 -1.26 -4.83 117.16 115.46 1k5p n TYR 80 Ca -0.02 0.46 -0.29 0.00 -0.16 0.00 0.00 57.90 57.89 1k5p n TYR 80 Cb 0.54 -4.31 0.10 0.00 -0.31 0.00 0.00 39.34 35.37 1k5p n TYR 80 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1k5p s ALA 81 N -3.14 2.28 0.18 -0.72 0.00 -1.26 -4.60 121.76 114.50 1k5p s ALA 81 Ca 0.27 -0.54 -0.16 0.00 0.00 0.00 0.00 51.96 51.53 1k5p s ALA 81 Cb -0.12 -3.01 0.13 0.00 0.00 0.00 0.00 23.12 20.13 1k5p s ALA 81 CO 0.33 -1.88 1.67 -0.92 0.00 0.00 0.00 175.76 174.96 1k5p h TYR 82 N -1.21 -0.15 -0.15 0.00 3.20 -1.95 -1.83 116.97 114.88 1k5p h TYR 82 Ca -0.48 0.04 -0.02 0.00 3.14 0.00 0.00 58.73 61.41 1k5p h TYR 82 Cb 1.32 0.14 -0.01 0.00 1.54 0.00 0.00 36.73 39.72 1k5p h TYR 82 CO 0.33 -0.16 0.01 0.00 -1.64 0.00 0.00 178.16 176.71 1k5p h ALA 83 N 1.42 1.75 -0.21 1.82 0.00 -2.00 -2.24 119.26 119.81 1k5p h ALA 83 Ca 0.22 -0.08 -0.21 0.00 0.00 0.00 0.00 54.91 54.84 1k5p h ALA 83 Cb 0.33 -0.07 0.01 0.00 0.00 0.00 0.00 17.79 18.05 1k5p h ALA 83 CO -0.42 0.20 -0.68 1.49 0.00 0.00 0.00 179.25 179.84 1k5p h GLU 84 N 0.21 0.80 -0.84 0.00 4.81 -1.71 -2.53 114.58 115.33 1k5p h GLU 84 Ca 0.05 -0.59 -0.02 0.00 -0.13 0.00 0.00 59.36 58.68 1k5p h GLU 84 Cb 0.13 0.10 -0.04 0.00 0.63 0.00 0.00 28.75 29.57 1k5p h GLU 84 CO 0.00 1.21 0.46 0.45 -0.73 0.00 0.00 179.01 180.40 1k5p h HIS 85 N 0.58 1.15 -0.57 0.92 3.86 -1.03 -2.40 115.15 117.65 1k5p h HIS 85 Ca -0.02 -0.03 -0.06 0.00 -1.16 0.00 0.00 60.37 59.10 1k5p h HIS 85 Cb 1.29 -0.37 -0.03 0.00 1.06 0.00 0.00 27.41 29.37 1k5p h HIS 85 CO 0.08 0.79 0.13 -0.09 0.86 0.00 0.00 177.93 179.70 1k5p h ARG 86 N 1.16 0.89 -0.31 2.45 2.43 -1.37 -1.33 114.38 118.30 1k5p h ARG 86 Ca 0.29 -0.19 -0.01 0.00 -0.81 0.00 0.00 59.98 59.27 1k5p h ARG 86 Cb 0.02 -0.13 -0.01 0.00 -0.42 0.00 0.00 29.97 29.43 1k5p h ARG 86 CO -0.05 0.80 0.16 0.22 -1.51 0.00 0.00 179.97 179.60 1k5p h ASP 87 N 0.85 0.39 -0.35 -3.80 -0.00 -0.99 -0.47 116.42 112.05 1k5p h ASP 87 Ca 0.18 -0.10 -0.11 0.00 -0.00 0.00 0.00 57.03 57.00 1k5p h ASP 87 Cb 0.32 -0.10 -0.01 0.00 -0.00 0.00 0.00 39.33 39.54 1k5p h ASP 87 CO 0.00 0.38 -0.22 1.88 -0.00 0.00 0.00 179.24 181.28 1k5p h TYR 88 N 0.37 0.90 -0.38 0.28 -1.99 -1.30 -3.09 116.97 111.76 1k5p h TYR 88 Ca 0.11 -0.24 -0.07 0.00 2.00 0.00 0.00 58.73 60.53 1k5p h TYR 88 Cb 0.08 -0.20 -0.01 0.00 2.00 0.00 0.00 36.73 38.59 1k5p h TYR 88 CO -0.03 0.99 -0.05 1.25 -0.00 0.00 0.00 178.16 180.32 1k5p h LEU 89 N 0.56 0.71 -0.64 3.88 5.85 -1.17 -1.72 115.31 122.78 1k5p h LEU 89 Ca 0.07 -0.34 0.08 0.00 0.84 0.00 0.00 57.88 58.53 1k5p h LEU 89 Cb 0.77 -0.19 -0.06 0.00 0.37 0.00 0.00 40.66 41.55 1k5p h LEU 89 CO 0.06 0.88 0.32 0.44 -0.34 0.00 0.00 178.44 179.80 1k5p h ASP 90 N 0.53 0.42 -0.33 1.25 5.19 -1.15 -1.10 116.42 121.23 1k5p h ASP 90 Ca 0.10 0.05 -0.05 0.00 -0.62 0.00 0.00 57.03 56.51 1k5p h ASP 90 Cb 0.55 -0.02 -0.01 0.00 0.18 0.00 0.00 39.33 40.03 1k5p h ASP 90 CO 0.03 0.26 0.01 0.00 -3.12 0.00 0.00 179.24 176.42 1k5p h ALA 91 N 1.38 0.44 -0.28 3.45 0.00 -1.42 -1.87 119.26 120.96 1k5p h ALA 91 Ca 0.31 -0.23 -0.01 0.00 0.00 0.00 0.00 54.91 54.98 1k5p h ALA 91 Cb 0.28 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.94 1k5p h ALA 91 CO -0.23 0.19 0.15 1.25 0.00 0.00 0.00 179.25 180.60 1k5p h LEU 92 N 0.38 0.36 -1.23 0.00 5.85 -1.11 -0.31 115.31 119.26 1k5p h LEU 92 Ca 0.09 -0.10 0.04 0.00 0.84 0.00 0.00 57.88 58.76 1k5p h LEU 92 Cb 0.42 -0.09 -0.05 0.00 0.37 0.00 0.00 40.66 41.32 1k5p h LEU 92 CO 0.01 0.35 0.54 -0.50 -0.34 0.00 0.00 178.44 178.51 1k5p h TRP 93 N 0.33 0.97 -0.34 1.25 4.06 -1.16 -0.88 115.95 120.17 1k5p h TRP 93 Ca 0.10 0.02 -0.08 0.00 2.06 0.00 0.00 58.89 60.99 1k5p h TRP 93 Cb 0.08 -0.32 -0.01 0.00 -1.00 0.00 0.00 29.16 27.91 1k5p h TRP 93 CO -0.03 0.55 -0.09 1.49 -3.56 0.00 0.00 178.44 176.80 1k5p h GLU 94 N 0.99 0.67 -0.46 0.49 4.57 -1.03 -3.16 114.58 116.65 1k5p h GLU 94 Ca 0.33 -0.26 0.05 0.00 -1.18 0.00 0.00 59.36 58.30 1k5p h GLU 94 Cb 0.08 -0.04 -0.03 0.00 -0.16 0.00 0.00 28.75 28.61 1k5p h GLU 94 CO -0.10 0.84 0.31 0.00 -1.18 0.00 0.00 179.01 178.87 1k5p h ALA 95 N 0.81 1.87 0.00 2.92 0.00 0.23 -2.65 119.26 122.44 1k5p h ALA 95 Ca 0.09 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.98 1k5p h ALA 95 Cb 0.59 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.27 1k5p h ALA 95 CO 0.03 0.06 0.00 1.28 0.00 0.00 0.00 179.25 180.62 1k5p n LEU 96 N -4.48 0.22 -3.31 0.00 4.77 -0.50 -4.94 117.00 108.77 1k5p n LEU 96 Ca 0.06 0.55 -0.16 0.00 -0.03 0.00 0.00 56.01 56.43 1k5p n LEU 96 Cb 0.20 -0.52 0.05 0.00 -2.33 0.00 0.00 43.42 40.83 1k5p n LEU 96 CO 0.35 -0.32 0.06 -0.67 -1.33 0.00 0.00 177.39 175.48 1k5p n ASP 97 N -1.74 -6.57 0.18 -1.43 2.03 -1.00 -4.94 116.55 103.08 1k5p n ASP 97 Ca 0.03 -0.66 0.13 0.00 0.52 0.00 0.00 54.79 54.81 1k5p n ASP 97 Cb 0.21 -4.81 0.32 0.00 -0.72 0.00 0.00 41.12 36.11 1k5p n ASP 97 CO 0.00 0.00 0.00 -0.07 -1.92 0.00 0.00 177.20 175.21 1k5p h LEU 98 N -0.95 0.00 0.00 -2.67 3.38 -1.83 -3.50 115.31 109.73 1k5p h LEU 98 Ca -0.52 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.45 1k5p h LEU 98 Cb 1.27 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.02 1k5p h LEU 98 CO 0.42 0.00 0.00 0.61 0.09 0.00 0.00 178.44 179.56 1k5p n GLY 99 N 1.00 -1.18 0.60 0.83 0.00 -1.26 -4.48 105.19 100.71 1k5p n GLY 99 Ca 0.04 -1.23 0.07 0.00 0.00 0.00 0.00 46.02 44.90 1k5p n GLY 99 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1k5p n ASP 100 N -0.49 3.20 -3.06 1.61 5.75 -1.26 -4.72 116.55 117.57 1k5p n ASP 100 Ca 0.00 -2.67 -0.23 0.00 -0.01 0.00 0.00 54.79 51.88 1k5p n ASP 100 Cb 0.00 -0.39 -0.04 0.00 -1.03 0.00 0.00 41.12 39.66 1k5p n ASP 100 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 1k5p n ARG 101 N -0.40 2.23 -3.23 0.11 5.12 -1.24 -4.24 116.66 115.01 1k5p n ARG 101 Ca 0.16 -4.22 -0.39 0.00 -1.93 0.00 0.00 57.85 51.48 1k5p n ARG 101 Cb 0.67 -2.00 -0.06 0.00 -1.16 0.00 0.00 32.46 29.91 1k5p n ARG 101 CO 0.00 0.00 0.00 0.08 -1.93 0.00 0.00 177.63 175.78 1k5p s VAL 102 N -3.49 5.08 -0.27 1.55 1.01 -0.48 -4.38 120.40 119.42 1k5p s VAL 102 Ca 0.45 1.14 -0.09 0.00 0.00 0.00 0.00 61.98 63.48 1k5p s VAL 102 Cb 0.30 -3.89 -0.04 0.00 0.00 0.00 0.00 36.38 32.75 1k5p s VAL 102 CO -0.11 0.34 0.12 -0.69 0.00 0.00 0.00 175.10 174.76 1k5p s VAL 103 N 0.41 4.74 -0.06 2.92 1.01 -1.03 -1.11 120.40 127.27 1k5p s VAL 103 Ca 0.30 -0.04 -0.17 0.00 0.00 0.00 0.00 61.98 62.07 1k5p s VAL 103 Cb -0.17 -3.25 -0.05 0.00 0.00 0.00 0.00 36.38 32.92 1k5p s VAL 103 CO 0.14 0.29 0.44 -0.76 0.00 0.00 0.00 175.10 175.21 1k5p s LEU 104 N 1.68 4.37 -0.20 3.92 1.43 -0.66 -0.60 118.68 128.62 1k5p s LEU 104 Ca 0.07 0.88 0.00 0.00 -1.03 0.00 0.00 54.13 54.05 1k5p s LEU 104 Cb -0.16 -2.64 0.05 0.00 0.03 0.00 0.00 46.19 43.47 1k5p s LEU 104 CO 0.07 0.16 -0.06 -0.69 0.23 0.00 0.00 176.35 176.06 1k5p s VAL 105 N -0.20 1.34 0.12 -1.59 1.01 -0.17 -1.11 120.40 119.81 1k5p s VAL 105 Ca 0.24 -0.94 0.05 0.00 0.00 0.00 0.00 61.98 61.33 1k5p s VAL 105 Cb -0.16 -1.56 -0.04 0.00 0.00 0.00 0.00 36.38 34.62 1k5p s VAL 105 CO 0.12 0.02 -0.11 0.68 0.00 0.00 0.00 175.10 175.80 1k5p s VAL 106 N 1.51 1.13 -0.07 2.92 -7.23 -0.35 -1.18 120.40 117.14 1k5p s VAL 106 Ca -0.02 -1.76 -0.09 0.00 -1.81 0.00 0.00 61.98 58.29 1k5p s VAL 106 Cb -0.17 -1.53 0.02 0.00 0.56 0.00 0.00 36.38 35.26 1k5p s VAL 106 CO -0.07 -0.55 0.23 -2.28 -0.31 0.00 0.00 175.10 172.12 1k5p s HIS 107 N -2.54 -0.20 0.00 2.82 2.46 -1.16 -2.63 115.29 114.04 1k5p s HIS 107 Ca 0.09 0.47 0.00 0.00 0.47 0.00 0.00 55.06 56.09 1k5p s HIS 107 Cb -0.02 0.07 0.00 0.00 -0.13 0.00 0.00 32.58 32.49 1k5p s HIS 107 CO 0.01 -0.18 0.00 -3.47 -2.47 0.00 0.00 174.74 168.63 1k5p n ASP 108 N 2.52 0.00 0.24 9.88 2.03 -0.81 0.56 116.55 130.98 1k5p n ASP 108 Ca -0.15 0.00 0.16 0.00 0.52 0.00 0.00 54.79 55.32 1k5p n ASP 108 Cb 0.58 0.00 0.74 0.00 -0.72 0.00 0.00 41.12 41.71 1k5p n ASP 108 CO 0.00 0.00 0.00 -0.50 -1.92 0.00 0.00 177.20 174.78 1k5p h TRP 109 N 0.00 0.00 0.00 -0.67 4.06 -1.90 -0.60 115.95 116.84 1k5p h TRP 109 Ca 0.00 0.00 -0.08 0.00 2.06 0.00 0.00 58.89 60.87 1k5p h TRP 109 Cb 0.00 0.00 -0.01 0.00 -1.00 0.00 0.00 29.16 28.15 1k5p h TRP 109 CO 0.00 0.00 -0.39 0.78 -3.56 0.00 0.00 178.44 175.27 1k5p h GLY 110 N 1.42 0.00 1.38 1.49 0.00 0.08 -1.49 103.07 105.95 1k5p h GLY 110 Ca 0.00 0.00 -0.26 0.00 0.00 0.00 0.00 47.33 47.07 1k5p h GLY 110 CO 0.00 0.00 -1.09 1.48 0.00 0.00 0.00 176.54 176.93 1k5p h SER 111 N 0.00 0.73 -0.62 0.19 4.64 -0.64 0.14 113.55 117.98 1k5p h SER 111 Ca -0.00 -0.62 -0.07 0.00 -0.47 0.00 0.00 61.79 60.62 1k5p h SER 111 Cb 0.77 -0.23 -0.02 0.00 -0.31 0.00 0.00 62.40 62.61 1k5p h SER 111 CO 0.05 1.43 0.10 0.00 -0.87 0.00 0.00 176.83 177.54 1k5p h ALA 112 N 0.51 0.83 -0.30 5.18 0.00 -1.31 0.21 119.26 124.38 1k5p h ALA 112 Ca -0.13 -0.26 -0.11 0.00 0.00 0.00 0.00 54.91 54.41 1k5p h ALA 112 Cb 1.74 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 19.29 1k5p h ALA 112 CO 0.20 0.59 -0.24 -0.07 0.00 0.00 0.00 179.25 179.74 1k5p h LEU 113 N 0.95 0.72 -0.39 0.00 3.38 -1.29 -2.46 115.31 116.22 1k5p h LEU 113 Ca 0.19 -0.45 -0.07 0.00 0.09 0.00 0.00 57.88 57.64 1k5p h LEU 113 Cb 0.43 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 40.97 1k5p h LEU 113 CO 0.01 1.02 -0.04 1.23 0.09 0.00 0.00 178.44 180.75 1k5p h GLY 114 N 0.43 0.77 1.16 0.83 0.00 -0.62 -1.32 103.07 104.33 1k5p h GLY 114 Ca 0.05 -0.60 -0.06 0.00 0.00 0.00 0.00 47.33 46.72 1k5p h GLY 114 CO 0.06 0.55 0.17 0.74 0.00 0.00 0.00 176.54 178.07 1k5p h PHE 115 N 0.53 1.08 -0.28 5.60 0.04 -0.61 -1.71 116.94 121.60 1k5p h PHE 115 Ca 0.11 -0.11 -0.12 0.00 2.80 0.00 0.00 57.97 60.64 1k5p h PHE 115 Cb 0.53 -0.31 -0.00 0.00 2.20 0.00 0.00 35.95 38.37 1k5p h PHE 115 CO 0.04 0.88 -0.30 0.22 -0.60 0.00 0.00 178.31 178.55 1k5p h ASP 116 N 1.00 0.75 -0.86 2.17 3.58 -1.42 -1.45 116.42 120.18 1k5p h ASP 116 Ca 0.21 -0.48 0.01 0.00 0.42 0.00 0.00 57.03 57.20 1k5p h ASP 116 Cb 0.33 -0.21 -0.04 0.00 1.72 0.00 0.00 39.33 41.13 1k5p h ASP 116 CO -0.00 1.08 0.57 -0.25 -2.88 0.00 0.00 179.24 177.76 1k5p h TRP 117 N 0.45 1.08 -0.30 0.28 7.01 -1.00 -2.55 115.95 120.92 1k5p h TRP 117 Ca 0.04 0.03 -0.03 0.00 2.11 0.00 0.00 58.89 61.04 1k5p h TRP 117 Cb 0.87 -0.37 -0.01 0.00 -2.10 0.00 0.00 29.16 27.55 1k5p h TRP 117 CO 0.07 0.68 0.08 0.00 -2.79 0.00 0.00 178.44 176.48 1k5p h ALA 118 N 1.32 0.40 -1.00 2.65 0.00 -1.24 0.82 119.26 122.21 1k5p h ALA 118 Ca 0.32 -0.17 0.16 0.00 0.00 0.00 0.00 54.91 55.22 1k5p h ALA 118 Cb -0.13 -0.11 -0.09 0.00 0.00 0.00 0.00 17.79 17.45 1k5p h ALA 118 CO -0.07 0.05 0.62 -0.09 0.00 0.00 0.00 179.25 179.76 1k5p h ARG 119 N 0.32 0.83 0.00 0.00 2.43 -1.04 0.69 114.38 117.62 1k5p h ARG 119 Ca 0.09 -0.05 0.00 0.00 -0.81 0.00 0.00 59.98 59.21 1k5p h ARG 119 Cb 0.29 -0.19 0.00 0.00 -0.42 0.00 0.00 29.97 29.65 1k5p h ARG 119 CO 0.00 0.55 -0.25 0.54 -1.51 0.00 0.00 179.97 179.30 1k5p n ARG 120 N -4.68 0.15 -2.73 0.20 1.74 -0.85 -4.07 116.66 106.41 1k5p n ARG 120 Ca 0.21 0.08 -0.05 0.00 -0.77 0.00 0.00 57.85 57.32 1k5p n ARG 120 Cb 0.48 -1.63 0.04 0.00 -1.02 0.00 0.00 32.46 30.32 1k5p n ARG 120 CO 0.00 0.00 0.00 0.72 -1.52 0.00 0.00 177.63 176.83 1k5p n HIS 121 N -1.87 1.32 -0.19 -1.55 8.25 0.22 -4.96 115.22 116.44 1k5p n HIS 121 Ca 0.05 -2.43 0.29 0.00 -0.26 0.00 0.00 57.72 55.37 1k5p n HIS 121 Cb 0.39 -0.29 0.72 0.00 1.12 0.00 0.00 29.99 31.93 1k5p n HIS 121 CO 0.00 0.00 0.00 0.07 0.64 0.00 0.00 176.34 177.05 1k5p h ARG 122 N 2.75 0.01 0.00 -0.41 0.11 -1.04 -1.12 114.38 114.69 1k5p h ARG 122 Ca -0.09 -0.00 0.00 0.00 0.10 0.00 0.00 59.98 59.99 1k5p h ARG 122 Cb 1.23 -0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.31 1k5p h ARG 122 CO 0.35 0.01 0.00 0.93 0.10 0.00 0.00 179.97 181.35 1k5p h GLU 123 N 0.01 0.00 -0.04 0.08 4.39 -1.93 -3.19 114.58 113.89 1k5p h GLU 123 Ca 0.43 0.00 0.00 0.00 0.34 0.00 0.00 59.36 60.13 1k5p h GLU 123 Cb 1.72 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 30.37 1k5p h GLU 123 CO -0.01 0.00 0.00 0.54 -1.16 0.00 0.00 179.01 178.38 1k5p n ARG 124 N -2.59 1.87 -3.63 2.33 1.74 -0.42 -4.85 116.66 111.12 1k5p n ARG 124 Ca 0.05 -1.27 -0.40 0.00 -0.77 0.00 0.00 57.85 55.46 1k5p n ARG 124 Cb 0.46 -1.47 -0.11 0.00 -1.02 0.00 0.00 32.46 30.32 1k5p n ARG 124 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 1k5p s VAL 125 N -1.97 4.55 0.13 1.55 1.01 -1.21 -1.39 120.40 123.07 1k5p s VAL 125 Ca 0.35 -0.71 0.06 0.00 0.00 0.00 0.00 61.98 61.68 1k5p s VAL 125 Cb 0.21 -3.46 -0.20 0.00 0.00 0.00 0.00 36.38 32.93 1k5p s VAL 125 CO 0.32 -0.12 1.30 -0.61 0.00 0.00 0.00 175.10 175.99 1k5p h GLN 126 N 8.40 0.04 -1.53 2.72 4.15 -1.39 -3.47 115.11 124.03 1k5p h GLN 126 Ca -0.28 -0.07 0.21 0.00 0.77 0.00 0.00 58.65 59.29 1k5p h GLN 126 Cb 1.12 0.02 -0.20 0.00 0.21 0.00 0.00 27.48 28.63 1k5p h GLN 126 CO 0.65 0.99 0.76 0.20 -1.93 0.00 0.00 178.83 179.49 1k5p s GLY 127 N -4.67 -0.26 -0.10 2.39 0.00 -1.24 -4.40 107.32 99.05 1k5p s GLY 127 Ca 0.00 1.76 0.00 0.00 0.00 0.00 0.00 44.72 46.49 1k5p s GLY 127 CO 0.82 0.66 -0.08 -0.42 0.00 0.00 0.00 173.10 174.09 1k5p s ILE 128 N -2.12 0.96 -0.19 0.90 1.01 -0.89 -1.65 121.20 119.22 1k5p s ILE 128 Ca 0.07 -0.28 -0.02 0.00 0.00 0.00 0.00 60.65 60.42 1k5p s ILE 128 Cb -0.01 -0.97 -0.01 0.00 0.01 0.00 0.00 42.46 41.49 1k5p s ILE 128 CO -0.05 0.35 -0.09 0.00 0.00 0.00 0.00 174.94 175.15 1k5p s ALA 129 N 1.46 2.69 0.14 9.38 0.00 -0.26 -1.00 121.76 134.16 1k5p s ALA 129 Ca -0.00 -1.11 0.06 0.00 0.00 0.00 0.00 51.96 50.91 1k5p s ALA 129 Cb -0.13 -1.50 -0.04 0.00 0.00 0.00 0.00 23.12 21.45 1k5p s ALA 129 CO -0.05 -0.25 -0.13 1.52 0.00 0.00 0.00 175.76 176.85 1k5p s TYR 130 N 1.17 1.43 -0.24 0.00 1.13 -0.54 -1.21 117.35 119.09 1k5p s TYR 130 Ca 0.02 -0.59 -0.21 0.00 -1.41 0.00 0.00 57.07 54.88 1k5p s TYR 130 Cb -0.14 -0.73 0.06 0.00 -1.10 0.00 0.00 41.96 40.05 1k5p s TYR 130 CO -0.03 0.17 0.63 0.00 -2.51 0.00 0.00 175.55 173.82 1k5p s MET 131 N -3.03 0.72 -1.10 -3.49 0.23 -1.08 -1.73 119.30 109.83 1k5p s MET 131 Ca 0.13 0.94 -0.24 0.00 -1.03 0.00 0.00 55.69 55.48 1k5p s MET 131 Cb -0.03 0.31 0.03 0.00 -1.53 0.00 0.00 34.83 33.61 1k5p s MET 131 CO 0.03 -0.10 0.67 0.39 -2.03 0.00 0.00 175.02 173.98 1k5p n GLU 132 N 3.07 -0.67 -3.51 3.16 -0.58 -1.26 -3.99 120.64 116.86 1k5p n GLU 132 Ca -0.15 0.30 -0.20 0.00 -0.42 0.00 0.00 57.16 56.69 1k5p n GLU 132 Cb 0.56 -2.60 -0.02 0.00 -0.57 0.00 0.00 31.44 28.81 1k5p n GLU 132 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1k5p s ALA 133 N -3.37 4.13 -0.93 0.62 0.00 -1.26 -1.92 121.76 119.02 1k5p s ALA 133 Ca 0.35 -1.69 -0.10 0.00 0.00 0.00 0.00 51.96 50.52 1k5p s ALA 133 Cb -0.19 -1.32 0.24 0.00 0.00 0.00 0.00 23.12 21.85 1k5p s ALA 133 CO 0.94 -0.13 0.88 0.42 0.00 0.00 0.00 175.76 177.87 1k5p s ILE 134 N -2.34 5.52 -1.95 0.00 1.01 -1.26 -4.55 121.20 117.64 1k5p s ILE 134 Ca 0.47 -3.00 0.28 0.00 0.00 0.00 0.00 60.65 58.40 1k5p s ILE 134 Cb -0.07 -4.38 0.44 0.00 0.01 0.00 0.00 42.46 38.46 1k5p s ILE 134 CO 0.29 -1.08 1.73 0.00 0.00 0.00 0.00 174.94 175.88 1k5p n ALA 135 N 3.30 2.83 -3.61 9.38 0.00 -1.26 -4.66 120.51 126.49 1k5p n ALA 135 Ca 0.18 -0.37 -0.01 0.00 0.00 0.00 0.00 53.44 53.24 1k5p n ALA 135 Cb 0.42 -1.22 -0.01 0.00 0.00 0.00 0.00 19.45 18.64 1k5p n ALA 135 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1k5p s MET 136 N -2.32 0.35 0.46 0.00 0.23 -1.26 -4.42 119.30 112.34 1k5p s MET 136 Ca 0.31 -0.17 -0.23 0.00 -1.03 0.00 0.00 55.69 54.57 1k5p s MET 136 Cb 0.20 0.13 -0.07 0.00 -1.53 0.00 0.00 34.83 33.56 1k5p s MET 136 CO 0.45 -0.16 1.14 -2.14 -2.03 0.00 0.00 175.02 172.28 1k5p s PRO 137 N -2.41 3.76 0.40 3.16 0.02 -1.26 -4.94 135.00 133.72 1k5p s PRO 137 Ca 0.12 1.71 0.03 0.00 0.02 0.00 0.00 61.00 62.88 1k5p s PRO 137 Cb 0.02 -2.36 -0.01 0.00 0.02 0.00 0.00 34.50 32.17 1k5p s PRO 137 CO -0.04 -0.54 0.11 0.44 -0.33 0.00 0.00 177.00 176.64 1k5p n ILE 138 N -0.56 0.00 -4.28 2.83 -5.35 -0.42 -5.03 119.36 106.55 1k5p n ILE 138 Ca 0.08 -2.22 -0.24 0.00 -0.27 0.00 0.00 62.75 60.09 1k5p n ILE 138 Cb 0.49 0.73 -0.08 0.00 -1.74 0.00 0.00 39.64 39.03 1k5p n ILE 138 CO 0.00 0.00 0.00 -1.61 -1.76 0.00 0.00 176.55 173.18 1k5p s GLU 139 N -3.50 2.15 0.40 6.28 0.41 -1.26 -0.82 118.70 122.36 1k5p s GLU 139 Ca 0.15 -1.74 0.12 0.00 -0.41 0.00 0.00 54.97 53.09 1k5p s GLU 139 Cb 0.01 -1.97 0.82 0.00 -1.78 0.00 0.00 34.13 31.21 1k5p s GLU 139 CO 0.11 0.09 1.91 -1.49 -0.49 0.00 0.00 175.26 175.38 1k5p h TRP 140 N 1.70 0.11 -0.05 1.61 4.06 -1.96 -0.05 115.95 121.38 1k5p h TRP 140 Ca -0.43 -0.02 0.01 0.00 2.06 0.00 0.00 58.89 60.52 1k5p h TRP 140 Cb 1.25 -0.03 -0.00 0.00 -1.00 0.00 0.00 29.16 29.38 1k5p h TRP 140 CO 0.68 0.32 0.11 0.00 -3.56 0.00 0.00 178.44 175.99 1k5p h ALA 141 N 1.68 1.37 0.00 1.49 0.00 -2.02 -1.22 119.26 120.57 1k5p h ALA 141 Ca 0.02 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.93 1k5p h ALA 141 Cb 0.45 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.24 1k5p h ALA 141 CO 0.03 -0.13 -1.03 -0.25 0.00 0.00 0.00 179.25 177.87 1k5p n ASP 142 N -3.39 0.61 -4.79 0.00 8.00 -0.04 -4.95 116.55 111.98 1k5p n ASP 142 Ca -0.02 -0.11 -0.35 0.00 0.71 0.00 0.00 54.79 55.03 1k5p n ASP 142 Cb 0.19 0.75 -0.04 0.00 -0.02 0.00 0.00 41.12 42.00 1k5p n ASP 142 CO 0.00 0.00 0.00 0.12 -0.39 0.00 0.00 177.20 176.93 1k5p s PHE 143 N -3.23 3.19 0.15 1.24 5.36 -0.46 -4.95 117.98 119.28 1k5p s PHE 143 Ca 0.03 1.62 -0.33 0.00 -0.96 0.00 0.00 56.93 57.29 1k5p s PHE 143 Cb 0.14 -3.06 -0.12 0.00 -0.34 0.00 0.00 43.02 39.63 1k5p s PHE 143 CO 0.80 -0.60 1.70 -0.35 -1.46 0.00 0.00 175.22 175.32 1k5p n PRO 144 N -0.44 2.49 -0.22 10.12 -0.04 -1.26 -4.88 135.00 140.78 1k5p n PRO 144 Ca 0.07 0.90 0.02 0.00 -0.04 0.00 0.00 63.50 64.45 1k5p n PRO 144 Cb 0.51 -2.73 0.13 0.00 -0.04 0.00 0.00 33.50 31.38 1k5p n PRO 144 CO 0.00 0.00 0.00 0.93 -0.04 0.00 0.00 175.50 176.39 1k5p h GLU 145 N 7.01 0.35 -0.98 0.54 3.07 -1.92 -2.79 114.58 119.86 1k5p h GLU 145 Ca -0.45 -0.02 0.23 0.00 -0.50 0.00 0.00 59.36 58.62 1k5p h GLU 145 Cb 1.23 -0.08 -0.09 0.00 -0.84 0.00 0.00 28.75 28.98 1k5p h GLU 145 CO 0.93 0.23 0.63 -0.56 -1.40 0.00 0.00 179.01 178.84 1k5p h GLN 146 N 0.37 0.47 -0.03 2.33 3.07 -2.03 -2.78 115.11 116.51 1k5p h GLN 146 Ca 0.34 -0.03 0.00 0.00 0.09 0.00 0.00 58.65 59.06 1k5p h GLN 146 Cb 0.49 -0.11 0.00 0.00 0.08 0.00 0.00 27.48 27.94 1k5p h GLN 146 CO -0.37 0.31 0.00 -0.25 0.09 0.00 0.00 178.83 178.61 1k5p n ASP 147 N -4.61 2.32 -0.05 0.06 8.00 -1.13 -4.77 116.55 116.37 1k5p n ASP 147 Ca 0.23 -2.56 -0.08 0.00 0.71 0.00 0.00 54.79 53.08 1k5p n ASP 147 Cb 0.74 -0.24 -0.02 0.00 -0.02 0.00 0.00 41.12 41.58 1k5p n ASP 147 CO 0.00 0.00 0.00 -0.09 -0.39 0.00 0.00 177.20 176.72 1k5p h ARG 148 N 0.22 0.09 -0.55 -1.24 2.43 -1.22 -1.80 114.38 112.31 1k5p h ARG 148 Ca 0.00 -0.01 -0.03 0.00 -0.81 0.00 0.00 59.98 59.13 1k5p h ARG 148 Cb 0.80 -0.02 -0.02 0.00 -0.42 0.00 0.00 29.97 30.30 1k5p h ARG 148 CO 0.01 0.06 0.22 -0.44 -1.51 0.00 0.00 179.97 178.31 1k5p h ASP 149 N 0.09 0.76 -0.61 -3.80 3.32 -1.86 -1.67 116.42 112.66 1k5p h ASP 149 Ca 0.11 -0.17 -0.05 0.00 0.02 0.00 0.00 57.03 56.94 1k5p h ASP 149 Cb 0.12 -0.20 -0.03 0.00 0.22 0.00 0.00 39.33 39.45 1k5p h ASP 149 CO -0.16 0.73 0.20 0.25 -1.72 0.00 0.00 179.24 178.53 1k5p h LEU 150 N 0.75 0.88 -0.88 1.55 5.85 -1.85 -0.95 115.31 120.66 1k5p h LEU 150 Ca 0.18 -0.20 -0.11 0.00 0.84 0.00 0.00 57.88 58.59 1k5p h LEU 150 Cb 0.20 -0.23 -0.02 0.00 0.37 0.00 0.00 40.66 40.99 1k5p h LEU 150 CO -0.01 0.84 -0.55 -0.26 -0.34 0.00 0.00 178.44 178.12 1k5p h PHE 151 N 0.86 0.00 -0.13 1.25 -1.00 -1.28 -0.21 116.94 116.43 1k5p h PHE 151 Ca 0.20 0.00 -0.07 0.00 2.81 0.00 0.00 57.97 60.91 1k5p h PHE 151 Cb 0.27 0.00 -0.01 0.00 3.61 0.00 0.00 35.95 39.82 1k5p h PHE 151 CO 0.02 0.55 -0.24 1.96 -1.61 0.00 0.00 178.31 178.98 1k5p h GLN 152 N 0.00 0.23 -0.29 1.51 4.20 -0.79 -2.45 115.11 117.53 1k5p h GLN 152 Ca -0.01 -0.07 -0.17 0.00 0.06 0.00 0.00 58.65 58.46 1k5p h GLN 152 Cb 0.99 -0.02 -0.00 0.00 0.30 0.00 0.00 27.48 28.75 1k5p h GLN 152 CO 0.07 0.47 -0.48 0.00 -0.67 0.00 0.00 178.83 178.22 1k5p h ALA 153 N 1.54 0.45 -0.84 3.87 0.00 -0.45 -2.65 119.26 121.19 1k5p h ALA 153 Ca 0.04 -0.49 0.05 0.00 0.00 0.00 0.00 54.91 54.51 1k5p h ALA 153 Cb 0.55 -0.08 -0.05 0.00 0.00 0.00 0.00 17.79 18.21 1k5p h ALA 153 CO 0.04 0.62 0.55 0.74 0.00 0.00 0.00 179.25 181.19 1k5p h PHE 154 N 0.62 0.97 0.00 0.00 0.04 -0.87 -0.98 116.94 116.72 1k5p h PHE 154 Ca 0.02 0.02 0.00 0.00 2.80 0.00 0.00 57.97 60.82 1k5p h PHE 154 Cb 1.08 -0.32 0.00 0.00 2.20 0.00 0.00 35.95 38.91 1k5p h PHE 154 CO 0.07 0.53 0.00 0.54 -0.60 0.00 0.00 178.31 178.86 1k5p n ARG 155 N -4.47 0.06 -2.20 1.51 1.74 -0.94 -4.07 116.66 108.29 1k5p n ARG 155 Ca 0.12 0.07 -0.16 0.00 -0.77 0.00 0.00 57.85 57.11 1k5p n ARG 155 Cb 0.17 -1.57 0.07 0.00 -1.02 0.00 0.00 32.46 30.11 1k5p n ARG 155 CO 0.00 0.00 0.00 -1.13 -1.52 0.00 0.00 177.63 174.98 1k5p n SER 156 N -1.67 1.21 0.00 0.55 3.41 -0.38 -4.96 113.62 111.78 1k5p n SER 156 Ca 0.06 -1.95 0.05 0.00 -0.26 0.00 0.00 58.87 56.78 1k5p n SER 156 Cb 0.34 -0.40 0.25 0.00 -0.26 0.00 0.00 64.21 64.14 1k5p n SER 156 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1k5p n GLN 157 N -2.17 0.09 0.11 4.33 1.13 -1.26 -1.95 117.38 117.67 1k5p n GLN 157 Ca 0.12 0.24 0.12 0.00 -1.94 0.00 0.00 57.00 55.54 1k5p n GLN 157 Cb 0.43 -1.50 0.46 0.00 0.11 0.00 0.00 30.24 29.74 1k5p n GLN 157 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1k5p n ALA 158 N -1.37 1.92 -0.19 -1.58 0.00 -1.25 -3.97 120.51 114.06 1k5p n ALA 158 Ca 0.04 0.03 -0.00 0.00 0.00 0.00 0.00 53.44 53.51 1k5p n ALA 158 Cb 0.10 -1.42 0.10 0.00 0.00 0.00 0.00 19.45 18.23 1k5p n ALA 158 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 1k5p h GLY 159 N 3.22 0.78 0.84 0.00 0.00 -1.30 -2.43 103.07 104.18 1k5p h GLY 159 Ca 0.00 -0.07 0.03 0.00 0.00 0.00 0.00 47.33 47.29 1k5p h GLY 159 CO 0.00 -0.06 0.34 0.83 0.00 0.00 0.00 176.54 177.65 1k5p h GLU 160 N 0.32 0.66 -0.39 4.80 3.07 -1.84 -0.44 114.58 120.75 1k5p h GLU 160 Ca 0.30 -0.04 -0.10 0.00 -0.50 0.00 0.00 59.36 59.02 1k5p h GLU 160 Cb 0.41 -0.15 -0.01 0.00 -0.84 0.00 0.00 28.75 28.16 1k5p h GLU 160 CO -0.34 0.43 -0.16 1.49 -1.40 0.00 0.00 179.01 179.03 1k5p h GLU 161 N 0.68 0.80 -0.79 2.33 4.81 -1.78 -1.32 114.58 119.31 1k5p h GLU 161 Ca 0.24 -0.33 -0.01 0.00 -0.13 0.00 0.00 59.36 59.12 1k5p h GLU 161 Cb 0.05 -0.03 -0.04 0.00 0.63 0.00 0.00 28.75 29.36 1k5p h GLU 161 CO -0.11 0.96 0.45 -0.07 -0.73 0.00 0.00 179.01 179.51 1k5p h LEU 162 N 0.60 0.97 0.00 1.64 3.38 -1.14 -1.88 115.31 118.87 1k5p h LEU 162 Ca 0.09 -0.08 -0.09 0.00 0.09 0.00 0.00 57.88 57.89 1k5p h LEU 162 Cb 0.70 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 41.19 1k5p h LEU 162 CO 0.05 0.77 -1.25 0.52 0.09 0.00 0.00 178.44 178.62 1k5p n VAL 163 N -4.45 1.50 -0.23 1.22 0.31 -0.20 -1.61 118.33 114.87 1k5p n VAL 163 Ca 0.08 0.05 -0.02 0.00 -0.01 0.00 0.00 64.34 64.43 1k5p n VAL 163 Cb 0.08 -2.26 0.17 0.00 -0.91 0.00 0.00 33.84 30.91 1k5p n VAL 163 CO 0.00 0.00 0.00 -0.07 -1.32 0.00 0.00 176.83 175.44 1k5p h LEU 164 N -1.00 0.93 0.00 7.52 3.38 -1.42 -0.04 115.31 124.68 1k5p h LEU 164 Ca -0.13 -0.09 -0.06 0.00 0.09 0.00 0.00 57.88 57.69 1k5p h LEU 164 Cb 1.09 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 41.59 1k5p h LEU 164 CO -0.08 0.77 -0.66 -0.61 0.09 0.00 0.00 178.44 177.95 1k5p h GLN 165 N 1.04 0.00 0.00 1.13 4.15 -1.48 -2.81 115.11 117.14 1k5p h GLN 165 Ca 0.26 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.68 1k5p h GLN 165 Cb 0.06 0.00 0.00 0.00 0.21 0.00 0.00 27.48 27.75 1k5p h GLN 165 CO -0.04 0.30 -0.56 -0.25 -1.93 0.00 0.00 178.83 176.34 1k5p n ASP 166 N -4.58 0.63 -3.30 -0.69 8.00 -0.71 -4.95 116.55 110.95 1k5p n ASP 166 Ca -0.13 0.07 -0.23 0.00 0.71 0.00 0.00 54.79 55.20 1k5p n ASP 166 Cb 0.36 0.14 0.06 0.00 -0.02 0.00 0.00 41.12 41.66 1k5p n ASP 166 CO 0.00 0.00 0.00 -3.20 -0.39 0.00 0.00 177.20 173.61 1k5p n ASN 167 N -1.96 -6.26 0.26 -2.24 5.15 -0.03 -4.87 115.26 105.31 1k5p n ASN 167 Ca 0.04 -0.42 0.09 0.00 -0.60 0.00 0.00 54.58 53.69 1k5p n ASN 167 Cb 0.41 -4.98 0.66 0.00 -0.53 0.00 0.00 39.78 35.34 1k5p n ASN 167 CO 0.00 0.00 0.00 0.58 1.40 0.00 0.00 177.26 179.24 1k5p h VAL 168 N -2.08 0.92 -0.28 3.44 2.07 -1.50 -1.06 116.25 117.76 1k5p h VAL 168 Ca -0.55 -0.22 -0.12 0.00 0.82 0.00 0.00 66.70 66.63 1k5p h VAL 168 Cb 1.37 1.12 -0.00 0.00 -1.52 0.00 0.00 31.29 32.25 1k5p h VAL 168 CO 0.56 0.06 -0.30 0.15 0.02 0.00 0.00 177.57 178.06 1k5p h PHE 169 N 0.00 0.85 -0.04 1.57 3.04 -1.91 -0.26 116.94 120.18 1k5p h PHE 169 Ca -0.00 -0.26 -0.07 0.00 3.98 0.00 0.00 57.97 61.62 1k5p h PHE 169 Cb 0.12 -0.18 0.00 0.00 2.56 0.00 0.00 35.95 38.45 1k5p h PHE 169 CO 0.00 1.01 -0.23 0.28 -2.02 0.00 0.00 178.31 177.34 1k5p h VAL 170 N 0.45 1.46 0.00 1.41 2.07 -1.87 -2.05 116.25 117.72 1k5p h VAL 170 Ca 0.04 -1.70 -0.12 0.00 0.82 0.00 0.00 66.70 65.74 1k5p h VAL 170 Cb 0.87 2.43 -0.02 0.00 -1.52 0.00 0.00 31.29 33.06 1k5p h VAL 170 CO 0.07 0.48 -0.56 -0.33 0.02 0.00 0.00 177.57 177.25 1k5p h GLU 171 N -0.32 0.00 0.00 1.57 4.39 -1.27 -3.38 114.58 115.57 1k5p h GLU 171 Ca -0.02 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.68 1k5p h GLU 171 Cb 0.90 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.55 1k5p h GLU 171 CO 0.05 0.56 -0.73 0.94 -1.16 0.00 0.00 179.01 178.67 1k5p n GLN 172 N -3.32 0.00 -0.11 2.33 7.27 -0.17 -4.69 117.38 118.68 1k5p n GLN 172 Ca 0.01 0.00 -0.09 0.00 0.07 0.00 0.00 57.00 57.00 1k5p n GLN 172 Cb 0.72 -0.49 -0.01 0.00 2.41 0.00 0.00 30.24 32.87 1k5p n GLN 172 CO 0.00 0.00 0.00 0.28 0.07 0.00 0.00 177.06 177.41 1k5p h VAL 173 N 0.00 1.11 0.69 1.69 2.07 -1.30 -1.20 116.25 119.31 1k5p h VAL 173 Ca 0.00 -0.23 -0.03 0.00 0.82 0.00 0.00 66.70 67.26 1k5p h VAL 173 Cb 0.73 0.62 -0.00 0.00 -1.52 0.00 0.00 31.29 31.11 1k5p h VAL 173 CO 0.00 0.11 -0.43 0.25 0.02 0.00 0.00 177.57 177.52 1k5p h LEU 174 N 0.47 -1.08 -1.23 2.57 5.85 -1.55 -1.87 115.31 118.47 1k5p h LEU 174 Ca 0.13 0.06 -0.03 0.00 0.84 0.00 0.00 57.88 58.88 1k5p h LEU 174 Cb -0.02 0.31 -0.03 0.00 0.37 0.00 0.00 40.66 41.30 1k5p h LEU 174 CO -0.03 -0.65 0.23 -0.65 -0.34 0.00 0.00 178.44 177.00 1k5p h PRO 175 N -1.04 0.76 0.00 5.25 0.11 -1.76 -2.42 132.00 132.89 1k5p h PRO 175 Ca -0.09 -0.10 -0.00 0.00 0.11 0.00 0.00 66.00 65.91 1k5p h PRO 175 Cb 0.84 -0.14 -0.00 0.00 0.11 0.00 0.00 31.00 31.81 1k5p h PRO 175 CO 0.09 0.61 -0.00 0.78 -0.21 0.00 0.00 178.00 179.27 1k5p h GLY 176 N 0.88 0.00 -1.61 -0.55 0.00 -1.02 -2.65 103.07 98.12 1k5p h GLY 176 Ca 0.18 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.51 1k5p h GLY 176 CO -0.02 0.00 0.00 1.04 0.00 0.00 0.00 176.54 177.56 1k5p n LEU 177 N -3.10 3.88 -4.22 3.11 4.77 -0.72 -4.88 117.00 115.83 1k5p n LEU 177 Ca -0.02 -2.99 -0.32 0.00 -0.03 0.00 0.00 56.01 52.65 1k5p n LEU 177 Cb 0.17 -0.54 -0.17 0.00 -2.33 0.00 0.00 43.42 40.55 1k5p n LEU 177 CO 0.23 0.68 -0.54 -0.63 -1.33 0.00 0.00 177.39 175.79 1k5p s ILE 178 N -2.78 2.18 0.16 -0.08 1.01 -1.00 -2.32 121.20 118.38 1k5p s ILE 178 Ca 0.42 -0.97 -0.07 0.00 0.00 0.00 0.00 60.65 60.03 1k5p s ILE 178 Cb 0.34 -1.85 -0.06 0.00 0.01 0.00 0.00 42.46 40.89 1k5p s ILE 178 CO 0.09 0.55 1.47 -0.07 0.00 0.00 0.00 174.94 176.98 1k5p h LEU 179 N 6.87 0.82-10.11 2.97 3.38 -1.90 -3.45 115.31 113.89 1k5p h LEU 179 Ca -0.23 -0.42 -0.52 0.00 0.09 0.00 0.00 57.88 56.80 1k5p h LEU 179 Cb 1.22 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 41.73 1k5p h LEU 179 CO 0.50 1.18 -0.12 0.00 0.09 0.00 0.00 178.44 180.09 1k5p s ARG 180 N -4.12 3.64 0.19 1.13 1.70 -1.26 -5.07 118.95 115.15 1k5p s ARG 180 Ca -0.09 0.03 -0.30 0.00 -0.47 0.00 0.00 55.73 54.90 1k5p s ARG 180 Cb 0.11 -2.63 -0.08 0.00 -0.57 0.00 0.00 34.95 31.78 1k5p s ARG 180 CO 0.87 0.20 1.07 -2.14 -1.08 0.00 0.00 175.30 174.21 1k5p s PRO 181 N -3.58 4.64 0.30 3.89 0.02 -1.26 -5.05 135.00 133.95 1k5p s PRO 181 Ca 0.44 1.67 -0.12 0.00 0.02 0.00 0.00 61.00 63.01 1k5p s PRO 181 Cb -0.11 -3.28 -0.08 0.00 0.02 0.00 0.00 34.50 31.05 1k5p s PRO 181 CO 0.30 0.15 0.66 -0.51 -0.33 0.00 0.00 177.00 177.28 1k5p s LEU 182 N -0.52 4.07 0.83 -5.54 1.43 -1.26 -5.10 118.68 112.59 1k5p s LEU 182 Ca 0.48 1.10 -0.12 0.00 -1.03 0.00 0.00 54.13 54.56 1k5p s LEU 182 Cb -0.29 -3.90 0.09 0.00 0.03 0.00 0.00 46.19 42.12 1k5p s LEU 182 CO 0.35 -0.18 1.17 -0.94 0.23 0.00 0.00 176.35 176.98 1k5p s SER 183 N -2.45 4.33 0.18 2.29 1.04 -1.26 -4.85 113.70 112.97 1k5p s SER 183 Ca 0.51 0.80 -0.10 0.00 0.48 0.00 0.00 55.95 57.65 1k5p s SER 183 Cb -0.11 -1.30 0.06 0.00 0.10 0.00 0.00 66.02 64.77 1k5p s SER 183 CO 0.21 -2.02 1.63 -0.08 0.98 0.00 0.00 173.24 173.96 1k5p h GLU 184 N -1.14 1.06 -0.93 4.02 4.22 -1.98 -1.15 114.58 118.68 1k5p h GLU 184 Ca -0.47 -0.35 0.00 0.00 0.08 0.00 0.00 59.36 58.63 1k5p h GLU 184 Cb 1.33 -0.09 -0.05 0.00 0.50 0.00 0.00 28.75 30.44 1k5p h GLU 184 CO 0.65 1.05 0.59 0.00 -2.18 0.00 0.00 179.01 179.12 1k5p h ALA 185 N 0.97 1.18 -0.14 2.92 0.00 -1.98 0.71 119.26 122.93 1k5p h ALA 185 Ca 0.17 -0.08 -0.06 0.00 0.00 0.00 0.00 54.91 54.94 1k5p h ALA 185 Cb 0.58 -0.38 -0.00 0.00 0.00 0.00 0.00 17.79 17.99 1k5p h ALA 185 CO 0.03 0.61 -0.13 0.93 0.00 0.00 0.00 179.25 180.69 1k5p h GLU 186 N 1.27 0.34 -0.32 0.00 5.08 -1.84 -1.84 114.58 117.27 1k5p h GLU 186 Ca 0.34 -0.18 -0.06 0.00 -1.00 0.00 0.00 59.36 58.46 1k5p h GLU 186 Cb -0.10 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.14 1k5p h GLU 186 CO -0.07 0.72 -0.07 1.98 -1.00 0.00 0.00 179.01 180.57 1k5p h MET 187 N -0.02 0.52 -0.37 2.33 4.05 -0.95 -2.57 114.93 117.92 1k5p h MET 187 Ca 0.02 -0.13 -0.09 0.00 -0.28 0.00 0.00 59.70 59.22 1k5p h MET 187 Cb 0.65 -0.06 -0.02 0.00 -0.80 0.00 0.00 31.60 31.37 1k5p h MET 187 CO 0.03 0.60 -0.13 0.00 0.23 0.00 0.00 176.91 177.65 1k5p h ALA 188 N 1.44 1.09 0.00 0.39 0.00 0.56 -0.15 119.26 122.59 1k5p h ALA 188 Ca 0.10 -0.30 -0.08 0.00 0.00 0.00 0.00 54.91 54.62 1k5p h ALA 188 Cb 0.43 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.05 1k5p h ALA 188 CO 0.02 0.56 -0.39 0.00 0.00 0.00 0.00 179.25 179.44 1k5p h ALA 189 N 1.27 1.20 0.04 0.00 0.00 -0.95 0.31 119.26 121.14 1k5p h ALA 189 Ca 0.10 -0.35 -0.26 0.00 0.00 0.00 0.00 54.91 54.40 1k5p h ALA 189 Cb 0.57 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.27 1k5p h ALA 189 CO 0.04 0.49 -1.29 1.88 0.00 0.00 0.00 179.25 180.36 1k5p h TYR 190 N 0.00 0.16 0.00 0.00 0.05 -1.16 -3.32 116.97 112.71 1k5p h TYR 190 Ca -0.00 -0.12 -0.15 0.00 0.05 0.00 0.00 58.73 58.51 1k5p h TYR 190 Cb 0.76 -0.01 -0.02 0.00 1.01 0.00 0.00 36.73 38.47 1k5p h TYR 190 CO 0.00 1.12 -0.70 0.00 -1.05 0.00 0.00 178.16 177.53 1k5p h ARG 191 N 0.02 0.00 -0.86 4.88 3.08 -0.85 -3.39 114.38 117.26 1k5p h ARG 191 Ca -0.13 0.00 0.22 0.00 0.07 0.00 0.00 59.98 60.14 1k5p h ARG 191 Cb 1.90 0.00 -0.14 0.00 0.08 0.00 0.00 29.97 31.81 1k5p h ARG 191 CO 0.14 0.70 0.16 1.49 -1.07 0.00 0.00 179.97 181.39 1k5p h GLU 192 N 0.00 0.16 0.00 0.04 4.22 -1.03 0.00 114.58 117.97 1k5p h GLU 192 Ca -0.01 -0.01 0.00 0.00 0.08 0.00 0.00 59.36 59.42 1k5p h GLU 192 Cb 1.35 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 30.57 1k5p h GLU 192 CO 0.09 0.11 0.00 -2.30 -2.18 0.00 0.00 179.01 174.73 1k5p n PRO 193 N -5.28 0.18 -0.42 0.92 -0.02 -1.26 -3.61 135.00 125.51 1k5p n PRO 193 Ca 0.20 0.25 0.07 0.00 -2.02 0.00 0.00 63.50 62.00 1k5p n PRO 193 Cb 0.64 -1.76 0.16 0.00 -0.02 0.00 0.00 33.50 32.53 1k5p n PRO 193 CO 0.00 0.00 0.00 1.19 1.98 0.00 0.00 175.50 178.67 1k5p n PHE 194 N -2.08 0.00 -0.27 6.00 3.72 -0.06 -4.75 117.46 120.03 1k5p n PHE 194 Ca 0.04 -1.19 -0.04 0.00 -0.05 0.00 0.00 57.45 56.21 1k5p n PHE 194 Cb 0.33 -0.20 0.11 0.00 -0.94 0.00 0.00 39.48 38.79 1k5p n PHE 194 CO 0.00 0.00 0.00 -0.07 -0.05 0.00 0.00 176.76 176.64 1k5p h LEU 195 N 0.55 1.03 -9.40 4.37 3.38 -1.50 -3.43 115.31 110.30 1k5p h LEU 195 Ca -0.01 -0.13 -0.54 0.00 0.09 0.00 0.00 57.88 57.28 1k5p h LEU 195 Cb 1.06 -0.26 -0.03 0.00 0.09 0.00 0.00 40.66 41.51 1k5p h LEU 195 CO 0.00 0.88 0.30 0.00 0.09 0.00 0.00 178.44 179.71 1k5p s ALA 196 N -5.59 3.21 0.79 1.53 0.00 -1.26 -5.04 121.76 115.39 1k5p s ALA 196 Ca -0.12 0.44 -0.13 0.00 0.00 0.00 0.00 51.96 52.15 1k5p s ALA 196 Cb 0.16 -3.24 0.07 0.00 0.00 0.00 0.00 23.12 20.12 1k5p s ALA 196 CO 0.82 -0.19 1.15 0.00 0.00 0.00 0.00 175.76 177.55 1k5p s ALA 197 N 0.92 1.98 0.00 0.00 0.00 -1.26 -4.36 121.76 119.04 1k5p s ALA 197 Ca 0.48 0.63 0.00 0.00 0.00 0.00 0.00 51.96 53.07 1k5p s ALA 197 Cb -0.20 -3.41 0.00 0.00 0.00 0.00 0.00 23.12 19.51 1k5p s ALA 197 CO 0.25 -2.07 0.00 0.41 0.00 0.00 0.00 175.76 174.35 1k5p n GLY 198 N -0.09 0.18 0.33 0.00 0.00 -1.06 -4.46 105.19 100.09 1k5p n GLY 198 Ca 0.12 -1.52 0.20 0.00 0.00 0.00 0.00 46.02 44.81 1k5p n GLY 198 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1k5p h GLU 199 N 0.00 0.00 -0.00 1.61 4.39 -1.91 -2.17 114.58 116.51 1k5p h GLU 199 Ca 0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 1k5p h GLU 199 Cb 0.00 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 28.65 1k5p h GLU 199 CO 0.00 0.00 0.00 0.00 -1.16 0.00 0.00 179.01 177.85 1k5p h ALA 200 N 1.90 1.14 -0.03 3.43 0.00 -1.78 -1.71 119.26 122.22 1k5p h ALA 200 Ca 0.01 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.92 1k5p h ALA 200 Cb 0.12 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.91 1k5p h ALA 200 CO -0.00 -0.00 0.00 0.54 0.00 0.00 0.00 179.25 179.79 1k5p n ARG 201 N -3.28 2.21 -0.36 0.00 1.74 -0.81 -4.58 116.66 111.58 1k5p n ARG 201 Ca -0.03 -1.75 0.10 0.00 -0.77 0.00 0.00 57.85 55.40 1k5p n ARG 201 Cb 0.07 -1.46 0.28 0.00 -1.02 0.00 0.00 32.46 30.33 1k5p n ARG 201 CO 0.00 0.00 0.00 -0.09 -1.52 0.00 0.00 177.63 176.02 1k5p h ARG 202 N 4.27 0.86 -0.91 5.56 9.65 -1.44 -1.72 114.38 130.66 1k5p h ARG 202 Ca 0.00 -0.05 0.16 0.00 -1.10 0.00 0.00 59.98 58.99 1k5p h ARG 202 Cb 0.91 -0.19 -0.07 0.00 -1.39 0.00 0.00 29.97 29.22 1k5p h ARG 202 CO 0.00 0.57 0.58 -1.35 2.80 0.00 0.00 179.97 182.57 1k5p h PRO 203 N 0.89 0.61 0.00 0.20 0.11 -1.81 -0.49 132.00 131.51 1k5p h PRO 203 Ca 0.54 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 66.61 1k5p h PRO 203 Cb 0.68 -0.14 0.00 0.00 0.11 0.00 0.00 31.00 31.65 1k5p h PRO 203 CO -0.32 0.41 0.00 0.25 -0.21 0.00 0.00 178.00 178.12 1k5p n THR 204 N -4.57 0.67 -0.12 -1.15 -2.24 -0.65 -2.60 114.28 103.62 1k5p n THR 204 Ca 0.19 0.09 -0.16 0.00 -2.27 0.00 0.00 64.05 61.90 1k5p n THR 204 Cb 0.54 -0.87 -0.12 0.00 -2.10 0.00 0.00 70.33 67.77 1k5p n THR 204 CO 0.00 0.00 0.00 -0.11 -0.57 0.00 0.00 175.07 174.39 1k5p n LEU 205 N -1.88 2.28 0.00 3.22 7.94 -0.32 -4.39 117.00 123.85 1k5p n LEU 205 Ca 0.04 -0.10 0.01 0.00 -1.11 0.00 0.00 56.01 54.85 1k5p n LEU 205 Cb 0.27 -0.56 0.33 0.00 0.53 0.00 0.00 43.42 43.99 1k5p n LEU 205 CO 0.21 0.82 0.99 0.28 -1.11 0.00 0.00 177.39 178.58 1k5p h SER 206 N 0.00 0.48 0.35 1.96 0.02 -1.20 -3.22 113.55 111.95 1k5p h SER 206 Ca -0.55 -0.07 -0.02 0.00 -0.84 0.00 0.00 61.79 60.31 1k5p h SER 206 Cb 1.95 -0.12 0.00 0.00 0.14 0.00 0.00 62.40 64.36 1k5p h SER 206 CO -0.06 0.51 -0.17 -0.50 -1.14 0.00 0.00 176.83 175.47 1k5p h TRP 207 N 0.51 -0.44 0.00 3.45 -0.00 -1.71 -2.74 115.95 115.03 1k5p h TRP 207 Ca 0.12 -0.01 -0.00 0.00 -0.00 0.00 0.00 58.89 59.00 1k5p h TRP 207 Cb 0.24 0.15 -0.00 0.00 -0.00 0.00 0.00 29.16 29.54 1k5p h TRP 207 CO 0.01 -0.23 -0.00 -1.00 -0.00 0.00 0.00 178.44 177.21 1k5p h PRO 208 N -0.54 0.00 0.00 0.49 0.13 -1.76 0.01 132.00 130.34 1k5p h PRO 208 Ca -0.05 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.08 1k5p h PRO 208 Cb 0.40 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.53 1k5p h PRO 208 CO 0.08 0.00 0.00 0.54 -0.23 0.00 0.00 178.00 178.39 1k5p n ARG 209 N -3.09 0.00 0.06 0.86 1.74 -1.05 -3.24 116.66 111.95 1k5p n ARG 209 Ca -0.02 0.01 0.11 0.00 -0.77 0.00 0.00 57.85 57.18 1k5p n ARG 209 Cb 0.11 -1.50 -0.00 0.00 -1.02 0.00 0.00 32.46 30.04 1k5p n ARG 209 CO 0.00 0.00 0.00 1.04 -1.52 0.00 0.00 177.63 177.15 1k5p n GLN 210 N -1.50 0.48 -1.68 5.56 1.13 -0.01 -4.63 117.38 116.73 1k5p n GLN 210 Ca 0.07 0.03 -0.45 0.00 -1.94 0.00 0.00 57.00 54.70 1k5p n GLN 210 Cb 0.33 -1.69 -0.04 0.00 0.11 0.00 0.00 30.24 28.95 1k5p n GLN 210 CO 0.00 0.00 0.00 -0.89 -1.44 0.00 0.00 177.06 174.73 1k5p n ILE 211 N -2.33 0.06 -2.45 5.09 5.41 -1.20 -4.63 119.36 119.31 1k5p n ILE 211 Ca 0.00 -0.01 -0.39 0.00 1.00 0.00 0.00 62.75 63.35 1k5p n ILE 211 Cb 0.51 -1.66 -0.03 0.00 -0.71 0.00 0.00 39.64 37.75 1k5p n ILE 211 CO 0.00 0.00 0.00 -2.16 0.00 0.00 0.00 176.55 174.39 1k5p s PRO 212 N 1.24 3.21 -0.05 0.38 0.04 -1.26 -4.24 135.00 134.32 1k5p s PRO 212 Ca 0.79 -0.47 0.03 0.00 0.04 0.00 0.00 61.00 61.39 1k5p s PRO 212 Cb -0.64 -4.72 0.00 0.00 0.04 0.00 0.00 34.50 29.18 1k5p s PRO 212 CO 0.38 -2.36 -0.13 0.42 0.04 0.00 0.00 177.00 175.34 1k5p s ILE 213 N 6.26 1.17 -1.14 0.56 1.01 -0.81 -1.30 121.20 126.96 1k5p s ILE 213 Ca 0.46 -0.55 -0.06 0.00 0.00 0.00 0.00 60.65 60.50 1k5p s ILE 213 Cb -0.05 -1.04 0.04 0.00 0.01 0.00 0.00 42.46 41.42 1k5p s ILE 213 CO 0.05 0.35 0.31 0.00 0.00 0.00 0.00 174.94 175.65 1k5p n ALA 214 N 3.42 -0.97 -0.87 9.38 0.00 0.00 -1.20 120.51 130.26 1k5p n ALA 214 Ca -0.20 0.09 0.00 0.00 0.00 0.00 0.00 53.44 53.33 1k5p n ALA 214 Cb 0.53 -2.26 0.00 0.00 0.00 0.00 0.00 19.45 17.72 1k5p n ALA 214 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1k5p n GLY 215 N -1.02 0.62 3.01 0.00 0.00 -1.26 -5.06 105.19 101.48 1k5p n GLY 215 Ca -0.06 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.78 1k5p n GLY 215 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1k5p s THR 216 N -2.26 0.67 0.05 2.61 2.01 -0.34 -3.47 115.64 114.90 1k5p s THR 216 Ca 0.00 -0.37 -0.30 0.00 0.31 0.00 0.00 61.69 61.32 1k5p s THR 216 Cb 0.00 -0.56 -0.05 0.00 0.01 0.00 0.00 72.50 71.90 1k5p s THR 216 CO 0.00 0.18 1.14 -2.16 -0.69 0.00 0.00 174.62 173.08 1k5p s PRO 217 N -0.22 4.47 0.46 4.92 0.04 -1.26 -1.92 135.00 141.49 1k5p s PRO 217 Ca 0.03 1.67 0.24 0.00 0.04 0.00 0.00 61.00 62.98 1k5p s PRO 217 Cb -0.03 -3.38 1.25 0.00 0.04 0.00 0.00 34.50 32.38 1k5p s PRO 217 CO -0.00 -0.19 1.84 0.00 0.04 0.00 0.00 177.00 178.68 1k5p h ALA 218 N 6.78 2.49 -0.17 8.56 0.00 -1.98 -2.22 119.26 132.73 1k5p h ALA 218 Ca -0.41 0.01 -0.05 0.00 0.00 0.00 0.00 54.91 54.45 1k5p h ALA 218 Cb 1.22 0.03 -0.00 0.00 0.00 0.00 0.00 17.79 19.03 1k5p h ALA 218 CO 0.79 -0.80 -0.10 0.38 0.00 0.00 0.00 179.25 179.53 1k5p h ASP 219 N 0.24 0.37 0.47 0.00 2.03 -1.98 -1.99 116.42 115.56 1k5p h ASP 219 Ca 0.49 -0.43 -0.09 0.00 -0.73 0.00 0.00 57.03 56.27 1k5p h ASP 219 Cb 1.51 -0.10 -0.01 0.00 -0.83 0.00 0.00 39.33 39.90 1k5p h ASP 219 CO -0.14 0.72 -0.44 0.58 -1.03 0.00 0.00 179.24 178.93 1k5p h VAL 220 N 0.03 1.29 -0.65 4.15 2.07 -1.79 -2.74 116.25 118.61 1k5p h VAL 220 Ca 0.03 -1.53 -0.03 0.00 0.82 0.00 0.00 66.70 66.00 1k5p h VAL 220 Cb 0.59 1.83 -0.03 0.00 -1.52 0.00 0.00 31.29 32.16 1k5p h VAL 220 CO 0.03 0.43 0.30 0.58 0.02 0.00 0.00 177.57 178.93 1k5p h VAL 221 N 0.00 1.23 -0.41 2.57 2.07 -1.29 -1.17 116.25 119.24 1k5p h VAL 221 Ca -0.00 -0.65 -0.09 0.00 0.82 0.00 0.00 66.70 66.77 1k5p h VAL 221 Cb 0.79 0.46 -0.02 0.00 -1.52 0.00 0.00 31.29 31.00 1k5p h VAL 221 CO 0.06 0.27 -0.11 0.00 0.02 0.00 0.00 177.57 177.81 1k5p h ALA 222 N 1.13 1.05 -0.40 1.67 0.00 -1.08 -0.75 119.26 120.88 1k5p h ALA 222 Ca 0.22 -0.30 -0.07 0.00 0.00 0.00 0.00 54.91 54.76 1k5p h ALA 222 Cb 0.14 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.75 1k5p h ALA 222 CO -0.03 0.58 -0.01 0.82 0.00 0.00 0.00 179.25 180.62 1k5p h ILE 223 N 0.66 1.26 -0.31 0.00 2.04 -1.22 -1.68 117.51 118.26 1k5p h ILE 223 Ca 0.11 -1.02 -0.07 0.00 1.00 0.00 0.00 64.86 64.88 1k5p h ILE 223 Cb 0.56 1.12 -0.01 0.00 -0.74 0.00 0.00 36.82 37.76 1k5p h ILE 223 CO 0.03 0.35 -0.08 0.00 0.00 0.00 0.00 178.15 178.45 1k5p h ALA 224 N 0.88 0.42 -0.97 1.87 0.00 -1.11 -1.47 119.26 118.88 1k5p h ALA 224 Ca 0.11 -0.29 0.10 0.00 0.00 0.00 0.00 54.91 54.84 1k5p h ALA 224 Cb 0.49 -0.11 -0.08 0.00 0.00 0.00 0.00 17.79 18.09 1k5p h ALA 224 CO 0.02 0.26 0.61 -0.09 0.00 0.00 0.00 179.25 180.04 1k5p h ARG 225 N 0.36 0.96 0.10 0.00 2.43 -1.07 0.19 114.38 117.36 1k5p h ARG 225 Ca 0.08 -0.06 -0.01 0.00 -0.81 0.00 0.00 59.98 59.18 1k5p h ARG 225 Cb 0.57 -0.22 0.00 0.00 -0.42 0.00 0.00 29.97 29.90 1k5p h ARG 225 CO 0.03 0.64 -0.05 -0.44 -1.51 0.00 0.00 179.97 178.64 1k5p h ASP 226 N 0.99 -0.12 1.20 -3.80 3.32 -1.12 -1.88 116.42 115.01 1k5p h ASP 226 Ca 0.47 -0.25 -0.04 0.00 0.02 0.00 0.00 57.03 57.23 1k5p h ASP 226 Cb 0.40 0.03 -0.01 0.00 0.22 0.00 0.00 39.33 39.98 1k5p h ASP 226 CO -0.24 0.19 -0.18 0.10 -1.72 0.00 0.00 179.24 177.39 1k5p h TYR 227 N -0.43 0.00 -0.18 4.55 -0.00 -0.99 -2.36 116.97 117.56 1k5p h TYR 227 Ca -0.01 0.00 -0.05 0.00 0.00 0.00 0.00 58.73 58.66 1k5p h TYR 227 Cb 0.36 0.00 -0.00 0.00 0.00 0.00 0.00 36.73 37.08 1k5p h TYR 227 CO 0.02 0.18 -0.10 0.00 -0.00 0.00 0.00 178.16 178.26 1k5p h ALA 228 N 1.82 0.25 -0.63 0.10 0.00 -0.58 -0.78 119.26 119.43 1k5p h ALA 228 Ca -0.00 -0.29 -0.07 0.00 0.00 0.00 0.00 54.91 54.55 1k5p h ALA 228 Cb 0.82 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 18.53 1k5p h ALA 228 CO 0.02 0.08 0.13 0.78 0.00 0.00 0.00 179.25 180.26 1k5p h GLY 229 N 0.05 1.08 0.70 0.00 0.00 -1.27 -2.08 103.07 101.56 1k5p h GLY 229 Ca 0.04 -0.68 -0.02 0.00 0.00 0.00 0.00 47.33 46.68 1k5p h GLY 229 CO 0.03 0.63 -0.15 -0.25 0.00 0.00 0.00 176.54 176.80 1k5p h TRP 230 N 0.96 -0.39 -1.00 5.60 7.01 -1.37 -3.21 115.95 123.55 1k5p h TRP 230 Ca 0.20 -0.01 0.07 0.00 2.11 0.00 0.00 58.89 61.26 1k5p h TRP 230 Cb 0.37 0.13 -0.07 0.00 -2.10 0.00 0.00 29.16 27.49 1k5p h TRP 230 CO 0.03 -0.07 0.64 -0.07 -2.79 0.00 0.00 178.44 176.17 1k5p h LEU 231 N -0.73 1.01 0.00 0.65 3.38 -1.15 0.05 115.31 118.52 1k5p h LEU 231 Ca -0.04 0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.94 1k5p h LEU 231 Cb 0.49 -0.20 0.00 0.00 0.09 0.00 0.00 40.66 41.05 1k5p h LEU 231 CO 0.07 0.63 0.00 -1.54 0.09 0.00 0.00 178.44 177.69 1k5p n SER 232 N -4.53 0.00 0.00 -0.43 3.41 -0.78 -2.38 113.62 108.91 1k5p n SER 232 Ca 0.16 0.40 0.00 0.00 -0.26 0.00 0.00 58.87 59.16 1k5p n SER 232 Cb 0.21 -0.42 0.00 0.00 -0.26 0.00 0.00 64.21 63.74 1k5p n SER 232 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1k5p n GLU 233 N -1.42 2.08 -2.58 4.33 1.02 -0.48 -4.45 120.64 119.14 1k5p n GLU 233 Ca 0.02 -0.13 -0.39 0.00 -0.02 0.00 0.00 57.16 56.64 1k5p n GLU 233 Cb 0.06 -0.51 -0.05 0.00 -0.02 0.00 0.00 31.44 30.92 1k5p n GLU 233 CO 0.00 0.00 0.00 0.45 1.18 0.00 0.00 177.13 178.76 1k5p s SER 234 N -0.33 7.25 0.00 1.62 0.15 -0.12 -4.97 113.70 117.30 1k5p s SER 234 Ca 0.00 2.11 0.28 0.00 0.70 0.00 0.00 55.95 59.05 1k5p s SER 234 Cb 0.00 -2.61 1.15 0.00 -1.71 0.00 0.00 66.02 62.85 1k5p s SER 234 CO 0.00 -0.14 1.80 -0.81 1.20 0.00 0.00 173.24 175.29 1k5p n PRO 235 N 0.94 1.33 -1.76 5.44 -0.04 -1.26 -4.54 135.00 135.11 1k5p n PRO 235 Ca 0.00 -0.67 -0.41 0.00 -0.04 0.00 0.00 63.50 62.38 1k5p n PRO 235 Cb 0.47 -1.49 -0.01 0.00 -0.04 0.00 0.00 33.50 32.43 1k5p n PRO 235 CO 0.00 0.00 0.00 -0.89 -0.04 0.00 0.00 175.50 174.57 1k5p n ILE 236 N -0.25 1.63 -1.75 0.52 5.41 -1.26 -4.85 119.36 118.81 1k5p n ILE 236 Ca 0.18 -0.41 -0.42 0.00 1.00 0.00 0.00 62.75 63.11 1k5p n ILE 236 Cb 0.31 -1.96 -0.01 0.00 -0.71 0.00 0.00 39.64 37.27 1k5p n ILE 236 CO 0.00 0.00 0.00 -2.65 0.00 0.00 0.00 176.55 173.90 1k5p n PRO 237 N 1.10 2.68 -4.27 0.38 -0.02 -1.26 -4.81 135.00 128.79 1k5p n PRO 237 Ca 0.04 0.95 -0.21 0.00 -2.02 0.00 0.00 63.50 62.26 1k5p n PRO 237 Cb 0.38 -2.72 -0.13 0.00 -0.02 0.00 0.00 33.50 31.01 1k5p n PRO 237 CO 0.00 0.00 0.00 0.15 1.98 0.00 0.00 175.50 177.63 1k5p s LYS 238 N -0.75 0.97 -0.22 -0.52 1.02 -0.67 -2.09 119.74 117.48 1k5p s LYS 238 Ca 0.62 -0.98 0.00 0.00 0.02 0.00 0.00 55.97 55.64 1k5p s LYS 238 Cb -0.50 -1.06 0.05 0.00 -0.52 0.00 0.00 37.83 35.81 1k5p s LYS 238 CO 0.51 0.25 -0.06 -1.17 -0.92 0.00 0.00 175.35 173.95 1k5p s LEU 239 N -1.63 2.32 -0.43 3.17 2.96 -0.17 -1.44 118.68 123.46 1k5p s LEU 239 Ca 0.02 -1.03 -0.16 0.00 -0.22 0.00 0.00 54.13 52.74 1k5p s LEU 239 Cb -0.09 -1.14 0.03 0.00 0.50 0.00 0.00 46.19 45.49 1k5p s LEU 239 CO 0.03 -0.21 0.37 0.12 -1.32 0.00 0.00 176.35 175.34 1k5p s PHE 240 N 1.44 3.21 -0.65 5.38 5.36 0.26 -1.47 117.98 131.52 1k5p s PHE 240 Ca -0.04 -0.57 -0.18 0.00 -0.96 0.00 0.00 56.93 55.18 1k5p s PHE 240 Cb -0.18 -2.82 0.12 0.00 -0.34 0.00 0.00 43.02 39.80 1k5p s PHE 240 CO -0.07 -0.68 0.74 0.42 -1.46 0.00 0.00 175.22 174.17 1k5p s ILE 241 N 1.87 4.92 0.54 3.12 1.01 -0.70 -1.96 121.20 129.99 1k5p s ILE 241 Ca 0.08 -1.24 -0.11 0.00 0.00 0.00 0.00 60.65 59.37 1k5p s ILE 241 Cb -0.19 -4.51 -0.05 0.00 0.01 0.00 0.00 42.46 37.72 1k5p s ILE 241 CO 0.11 -1.14 0.94 0.21 0.00 0.00 0.00 174.94 175.06 1k5p s ASN 242 N 3.48 6.37 0.09 3.58 2.47 0.15 -4.33 114.94 126.74 1k5p s ASN 242 Ca 0.14 1.33 0.03 0.00 0.42 0.00 0.00 52.86 54.78 1k5p s ASN 242 Cb -0.21 -2.42 -0.03 0.00 -1.45 0.00 0.00 41.25 37.13 1k5p s ASN 242 CO 0.03 -0.68 -0.10 0.00 -3.72 0.00 0.00 177.10 172.63 1k5p s ALA 243 N -2.85 1.02 -0.05 1.71 0.00 -1.26 -0.63 121.76 119.70 1k5p s ALA 243 Ca 0.54 -1.12 -0.00 0.00 0.00 0.00 0.00 51.96 51.38 1k5p s ALA 243 Cb -0.11 0.03 0.02 0.00 0.00 0.00 0.00 23.12 23.07 1k5p s ALA 243 CO 0.44 -0.03 -0.02 -2.00 0.00 0.00 0.00 175.76 174.14 1k5p s GLU 244 N -2.58 0.69 0.47 0.00 2.56 -0.89 -3.02 118.70 115.92 1k5p s GLU 244 Ca 0.03 -0.00 0.32 0.00 0.00 0.00 0.00 54.97 55.32 1k5p s GLU 244 Cb -0.04 -0.86 1.51 0.00 2.00 0.00 0.00 34.13 36.74 1k5p s GLU 244 CO -0.00 -0.18 1.96 -1.00 -0.56 0.00 0.00 175.26 175.48 1k5p h PRO 245 N 7.66 0.00 0.00 4.30 0.13 -1.87 -2.63 132.00 139.60 1k5p h PRO 245 Ca -0.31 0.00 0.08 0.00 -0.87 0.00 0.00 66.00 64.90 1k5p h PRO 245 Cb 1.14 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.25 1k5p h PRO 245 CO 0.39 0.00 -0.11 0.41 -0.23 0.00 0.00 178.00 178.46 1k5p n GLY 246 N -0.46 -1.83 1.36 1.56 0.00 -0.65 -4.97 105.19 100.20 1k5p n GLY 246 Ca -0.00 -1.30 0.00 0.00 0.00 0.00 0.00 46.02 44.72 1k5p n GLY 246 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1k5p n ALA 247 N -0.72 1.50 0.06 4.61 0.00 -1.20 -4.68 120.51 120.08 1k5p n ALA 247 Ca 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 53.44 53.23 1k5p n ALA 247 Cb 0.13 0.00 -0.15 0.00 0.00 0.00 0.00 19.45 19.44 1k5p n ALA 247 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 1k5p h LEU 248 N 0.00 0.53 -6.97 0.00 5.85 -1.92 -3.40 115.31 109.40 1k5p h LEU 248 Ca 0.00 -0.94 -0.77 0.00 0.84 0.00 0.00 57.88 57.01 1k5p h LEU 248 Cb 0.00 -0.17 -0.20 0.00 0.37 0.00 0.00 40.66 40.66 1k5p h LEU 248 CO 0.00 1.47 1.43 0.41 -0.34 0.00 0.00 178.44 181.40 1k5p n THR 249 N -4.04 4.57 -4.15 1.05 -1.04 -1.26 -4.81 114.28 104.60 1k5p n THR 249 Ca -0.15 -4.92 -0.15 0.00 -2.04 0.00 0.00 64.05 56.78 1k5p n THR 249 Cb 0.88 -2.35 -0.05 0.00 -1.82 0.00 0.00 70.33 66.99 1k5p n THR 249 CO 0.00 0.00 0.00 0.35 -0.64 0.00 0.00 175.07 174.78 1k5p n THR 250 N 3.12 0.00 -1.14 12.58 -2.24 -1.26 -4.58 114.28 120.76 1k5p n THR 250 Ca 0.34 -1.90 0.00 0.00 -2.27 0.00 0.00 64.05 60.22 1k5p n THR 250 Cb 0.37 1.02 0.00 0.00 -2.10 0.00 0.00 70.33 69.63 1k5p n THR 250 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1k5p n GLY 251 N -0.53 2.40 0.29 3.38 0.00 -1.26 -1.97 105.19 107.49 1k5p n GLY 251 Ca 0.04 -0.19 0.03 0.00 0.00 0.00 0.00 46.02 45.91 1k5p n GLY 251 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 1k5p h ARG 252 N 0.00 0.63 -0.57 1.61 3.08 -1.96 -1.15 114.38 116.03 1k5p h ARG 252 Ca 0.00 -0.04 -0.06 0.00 0.07 0.00 0.00 59.98 59.95 1k5p h ARG 252 Cb 0.00 -0.14 -0.03 0.00 0.08 0.00 0.00 29.97 29.88 1k5p h ARG 252 CO 0.00 0.42 0.12 1.98 -1.07 0.00 0.00 179.97 181.42 1k5p h MET 253 N 0.65 0.88 -0.34 0.04 4.05 -1.78 -0.90 114.93 117.54 1k5p h MET 253 Ca 0.39 -0.19 -0.16 0.00 -0.28 0.00 0.00 59.70 59.46 1k5p h MET 253 Cb 0.45 -0.13 -0.01 0.00 -0.80 0.00 0.00 31.60 31.12 1k5p h MET 253 CO -0.29 0.80 -0.43 -0.09 0.23 0.00 0.00 176.91 177.14 1k5p h ARG 254 N 0.85 0.87 -0.62 0.39 2.43 -0.84 -1.76 114.38 115.69 1k5p h ARG 254 Ca 0.18 -0.47 0.05 0.00 -0.81 0.00 0.00 59.98 58.93 1k5p h ARG 254 Cb 0.33 0.03 -0.05 0.00 -0.42 0.00 0.00 29.97 29.86 1k5p h ARG 254 CO 0.00 1.12 0.34 -0.44 -1.51 0.00 0.00 179.97 179.48 1k5p h ASP 255 N 0.70 0.51 0.04 -3.80 3.32 -0.85 -1.38 116.42 114.96 1k5p h ASP 255 Ca 0.05 0.03 -0.00 0.00 0.02 0.00 0.00 57.03 57.12 1k5p h ASP 255 Cb 1.01 -0.07 0.00 0.00 0.22 0.00 0.00 39.33 40.49 1k5p h ASP 255 CO 0.10 0.33 -0.02 0.15 -1.72 0.00 0.00 179.24 178.08 1k5p h PHE 256 N 0.64 -0.05 -0.82 4.55 3.57 -1.01 -2.95 116.94 120.88 1k5p h PHE 256 Ca 0.28 -0.00 0.12 0.00 3.53 0.00 0.00 57.97 61.89 1k5p h PHE 256 Cb 0.16 0.02 -0.06 0.00 2.79 0.00 0.00 35.95 38.86 1k5p h PHE 256 CO -0.08 0.18 0.53 0.00 -2.23 0.00 0.00 178.31 176.71 1k5p n ARG 258 N -4.52 0.10 0.00 0.00 1.74 -0.54 -1.42 116.66 112.03 1k5p n ARG 258 Ca 0.15 0.44 0.13 0.00 -0.77 0.00 0.00 57.85 57.80 1k5p n ARG 258 Cb 0.40 -1.74 0.36 0.00 -1.02 0.00 0.00 32.46 30.47 1k5p n ARG 258 CO 0.00 0.00 0.00 0.25 -1.52 0.00 0.00 177.63 176.36 1k5p n THR 259 N -1.93 0.00 -2.11 0.55 -2.24 0.17 -4.95 114.28 103.77 1k5p n THR 259 Ca 0.01 -0.07 -0.39 0.00 -2.27 0.00 0.00 64.05 61.34 1k5p n THR 259 Cb 0.13 0.25 -0.00 0.00 -2.10 0.00 0.00 70.33 68.60 1k5p n THR 259 CO 0.00 0.00 0.00 0.26 -0.57 0.00 0.00 175.07 174.76 1k5p s TRP 260 N -2.71 2.82 0.61 4.78 0.51 -0.50 -5.00 118.94 119.44 1k5p s TRP 260 Ca 0.19 1.46 -0.14 0.00 -2.12 0.00 0.00 56.10 55.49 1k5p s TRP 260 Cb 0.19 -3.58 -0.03 0.00 -0.81 0.00 0.00 33.47 29.24 1k5p s TRP 260 CO 0.58 -1.92 1.04 -2.14 -0.51 0.00 0.00 176.95 174.00 1k5p s PRO 261 N -2.41 3.39 -1.44 4.98 0.02 -1.26 -4.34 135.00 133.93 1k5p s PRO 261 Ca 0.60 1.00 -0.06 0.00 0.02 0.00 0.00 61.00 62.56 1k5p s PRO 261 Cb -0.35 -2.05 0.04 0.00 0.02 0.00 0.00 34.50 32.16 1k5p s PRO 261 CO 0.44 -0.74 0.69 -1.71 -0.33 0.00 0.00 177.00 175.35 1k5p n ASN 262 N -2.37 -2.06 -4.27 2.53 5.15 -1.26 -4.65 115.26 108.33 1k5p n ASN 262 Ca 0.07 -0.89 -0.28 0.00 -0.60 0.00 0.00 54.58 52.88 1k5p n ASN 262 Cb 0.53 -3.53 -0.15 0.00 -0.53 0.00 0.00 39.78 36.10 1k5p n ASN 262 CO 0.00 0.00 0.00 -1.58 1.40 0.00 0.00 177.26 177.08 1k5p s GLN 263 N -6.44 1.67 0.05 1.20 0.74 -1.26 -1.66 119.66 113.96 1k5p s GLN 263 Ca 0.26 -0.92 0.04 0.00 0.05 0.00 0.00 55.36 54.79 1k5p s GLN 263 Cb -0.13 -1.72 -0.04 0.00 1.10 0.00 0.00 33.01 32.21 1k5p s GLN 263 CO 0.86 0.46 -0.01 0.99 -0.55 0.00 0.00 175.29 177.04 1k5p s THR 264 N -0.68 4.03 0.01 -0.34 2.01 -0.52 -4.99 115.64 115.16 1k5p s THR 264 Ca 0.09 -0.84 0.03 0.00 0.31 0.00 0.00 61.69 61.28 1k5p s THR 264 Cb -0.09 -2.87 -0.01 0.00 0.01 0.00 0.00 72.50 69.54 1k5p s THR 264 CO 0.01 0.23 -0.11 -0.70 -0.69 0.00 0.00 174.62 173.36 1k5p s GLU 265 N -1.98 0.80 0.04 4.92 2.12 -1.26 -0.58 118.70 122.75 1k5p s GLU 265 Ca 0.23 -0.51 -0.00 0.00 0.36 0.00 0.00 54.97 55.04 1k5p s GLU 265 Cb -0.12 -0.76 -0.03 0.00 0.26 0.00 0.00 34.13 33.49 1k5p s GLU 265 CO 0.15 0.20 -0.03 0.96 -0.54 0.00 0.00 175.26 175.99 1k5p s ILE 266 N -0.54 0.18 -0.09 -3.70 -4.36 -0.83 -4.99 121.20 106.88 1k5p s ILE 266 Ca 0.02 -1.35 0.04 0.00 -0.26 0.00 0.00 60.65 59.10 1k5p s ILE 266 Cb -0.06 -0.88 -0.01 0.00 1.25 0.00 0.00 42.46 42.77 1k5p s ILE 266 CO 0.00 -0.74 -0.23 -0.89 0.24 0.00 0.00 174.94 173.33 1k5p s THR 267 N -2.64 2.22 0.32 8.37 2.01 -1.26 0.32 115.64 124.99 1k5p s THR 267 Ca -0.05 -0.98 0.06 0.00 0.31 0.00 0.00 61.69 61.04 1k5p s THR 267 Cb -0.01 -1.84 -0.06 0.00 0.01 0.00 0.00 72.50 70.59 1k5p s THR 267 CO -0.05 0.56 -0.03 0.68 -0.69 0.00 0.00 174.62 175.09 1k5p s VAL 268 N 0.16 1.68 0.06 3.82 -7.23 0.20 -4.95 120.40 114.14 1k5p s VAL 268 Ca -0.13 -2.09 -0.30 0.00 -1.81 0.00 0.00 61.98 57.66 1k5p s VAL 268 Cb -0.16 -2.64 -0.05 0.00 0.56 0.00 0.00 36.38 34.08 1k5p s VAL 268 CO 0.07 -0.17 1.03 0.00 -0.31 0.00 0.00 175.10 175.72 1k5p s ALA 269 N -2.97 3.25 0.00 1.32 0.00 -1.26 -2.10 121.76 120.00 1k5p s ALA 269 Ca 0.32 0.64 0.00 0.00 0.00 0.00 0.00 51.96 52.93 1k5p s ALA 269 Cb 0.06 -3.34 0.00 0.00 0.00 0.00 0.00 23.12 19.83 1k5p s ALA 269 CO 0.14 -0.21 0.00 0.41 0.00 0.00 0.00 175.76 176.10 1k5p n GLY 270 N 2.67 2.28 0.00 0.00 0.00 -0.99 -4.22 105.19 104.93 1k5p n GLY 270 Ca 0.05 -0.98 0.00 0.00 0.00 0.00 0.00 46.02 45.09 1k5p n GLY 270 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1k5p n ALA 271 N -0.88 0.27 -0.07 4.61 0.00 -1.26 -1.63 120.51 121.54 1k5p n ALA 271 Ca 0.00 0.00 -0.16 0.00 0.00 0.00 0.00 53.44 53.28 1k5p n ALA 271 Cb 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 19.40 1k5p n ALA 271 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 177.50 179.08 1k5p n HIS 272 N -0.09 0.00 -2.23 0.00 -0.00 -0.98 -3.21 115.22 108.70 1k5p n HIS 272 Ca 0.00 0.00 -0.41 0.00 0.46 0.00 0.00 57.72 57.77 1k5p n HIS 272 Cb 0.00 -0.54 0.00 0.00 -0.12 0.00 0.00 29.99 29.33 1k5p n HIS 272 CO 0.00 0.00 0.00 1.19 0.46 0.00 0.00 176.34 177.99 1k5p n PHE 273 N -3.79 2.70 0.23 1.57 3.01 -1.03 -4.79 117.46 115.36 1k5p n PHE 273 Ca -0.29 -2.77 0.12 0.00 1.01 0.00 0.00 57.45 55.52 1k5p n PHE 273 Cb 0.66 -1.80 0.60 0.00 -0.01 0.00 0.00 39.48 38.93 1k5p n PHE 273 CO 0.00 0.00 0.00 -0.84 1.01 0.00 0.00 176.76 176.93 1k5p h ILE 274 N 3.09 0.00 0.00 4.37 3.07 -1.86 -2.59 117.51 123.59 1k5p h ILE 274 Ca 0.53 -0.07 0.00 0.00 1.55 0.00 0.00 64.86 66.88 1k5p h ILE 274 Cb 0.46 0.64 0.00 0.00 -0.27 0.00 0.00 36.82 37.65 1k5p h ILE 274 CO 1.51 0.00 0.00 1.56 -1.05 0.00 0.00 178.15 180.17 1k5p h GLN 275 N 0.00 0.00 0.00 0.16 7.50 -1.90 -1.68 115.11 119.18 1k5p h GLN 275 Ca 0.00 0.00 0.00 0.00 0.50 0.00 0.00 58.65 59.15 1k5p h GLN 275 Cb 0.10 0.00 0.00 0.00 0.05 0.00 0.00 27.48 27.63 1k5p h GLN 275 CO 0.00 0.00 -0.62 0.39 -1.50 0.00 0.00 178.83 177.10 1k5p n GLU 276 N -2.99 0.02 -0.12 1.46 -0.58 -0.98 -3.60 120.64 113.85 1k5p n GLU 276 Ca -0.00 0.00 -0.20 0.00 -0.42 0.00 0.00 57.16 56.54 1k5p n GLU 276 Cb 0.23 -1.51 -0.10 0.00 -0.57 0.00 0.00 31.44 29.49 1k5p n GLU 276 CO 0.00 0.00 0.00 -0.25 -0.48 0.00 0.00 177.13 176.40 1k5p n ASP 277 N -1.54 2.05 -2.75 1.62 8.00 -0.89 -4.79 116.55 118.24 1k5p n ASP 277 Ca 0.05 0.00 -0.20 0.00 0.71 0.00 0.00 54.79 55.35 1k5p n ASP 277 Cb 0.34 -0.48 -0.01 0.00 -0.02 0.00 0.00 41.12 40.95 1k5p n ASP 277 CO 0.00 0.00 0.00 -1.20 -0.39 0.00 0.00 177.20 175.61 1k5p n SER 278 N -3.47 3.04 -0.31 -2.24 7.64 -0.68 -4.95 113.62 112.65 1k5p n SER 278 Ca -0.44 -3.30 -0.02 0.00 1.01 0.00 0.00 58.87 56.12 1k5p n SER 278 Cb 0.92 -0.53 0.11 0.00 -1.01 0.00 0.00 64.21 63.70 1k5p n SER 278 CO 0.00 0.00 0.00 1.55 -3.01 0.00 0.00 175.04 173.58 1k5p h PRO 279 N 2.86 1.03 -0.14 1.43 0.13 -1.75 -1.81 132.00 133.74 1k5p h PRO 279 Ca 0.11 -0.06 -0.14 0.00 -0.87 0.00 0.00 66.00 65.05 1k5p h PRO 279 Cb 0.92 -0.23 -0.01 0.00 0.13 0.00 0.00 31.00 31.80 1k5p h PRO 279 CO 0.68 0.68 -0.50 -0.44 -0.23 0.00 0.00 178.00 178.19 1k5p h ASP 280 N 1.06 0.42 -0.13 1.44 3.32 -1.88 0.75 116.42 121.39 1k5p h ASP 280 Ca 0.33 -0.21 -0.15 0.00 0.02 0.00 0.00 57.03 57.02 1k5p h ASP 280 Cb 0.00 -0.12 -0.01 0.00 0.22 0.00 0.00 39.33 39.43 1k5p h ASP 280 CO -0.11 0.85 -0.46 -0.33 -1.72 0.00 0.00 179.24 177.47 1k5p h GLU 281 N 0.30 0.68 -0.06 3.56 3.07 -1.92 -0.54 114.58 119.68 1k5p h GLU 281 Ca 0.01 -0.38 -0.01 0.00 -0.50 0.00 0.00 59.36 58.47 1k5p h GLU 281 Cb 0.99 0.02 -0.00 0.00 -0.84 0.00 0.00 28.75 28.92 1k5p h GLU 281 CO 0.09 1.00 -0.02 0.82 -1.40 0.00 0.00 179.01 179.49 1k5p h ILE 282 N 0.55 1.31 -0.84 3.13 2.04 -1.22 -2.67 117.51 119.82 1k5p h ILE 282 Ca 0.03 -0.98 -0.03 0.00 1.00 0.00 0.00 64.86 64.88 1k5p h ILE 282 Cb 1.00 1.85 -0.04 0.00 -0.74 0.00 0.00 36.82 38.90 1k5p h ILE 282 CO 0.09 0.27 0.40 1.23 0.00 0.00 0.00 178.15 180.15 1k5p h GLY 283 N -0.25 1.29 1.05 5.37 0.00 -0.81 -1.74 103.07 107.98 1k5p h GLY 283 Ca 0.01 -0.64 -0.05 0.00 0.00 0.00 0.00 47.33 46.66 1k5p h GLY 283 CO 0.01 0.61 0.31 0.00 0.00 0.00 0.00 176.54 177.46 1k5p h ALA 284 N 1.22 1.02 -0.42 3.60 0.00 -1.11 0.36 119.26 123.93 1k5p h ALA 284 Ca 0.29 -0.20 -0.15 0.00 0.00 0.00 0.00 54.91 54.85 1k5p h ALA 284 Cb 0.12 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 17.59 1k5p h ALA 284 CO -0.04 0.65 -0.32 0.00 0.00 0.00 0.00 179.25 179.54 1k5p h ALA 285 N 1.16 0.63 -0.43 0.00 0.00 -1.22 -1.58 119.26 117.83 1k5p h ALA 285 Ca 0.26 -0.43 -0.04 0.00 0.00 0.00 0.00 54.91 54.69 1k5p h ALA 285 Cb 0.23 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.86 1k5p h ALA 285 CO -0.02 0.68 0.09 0.82 0.00 0.00 0.00 179.25 180.82 1k5p h ILE 286 N 0.79 1.24 -0.45 0.00 2.04 -1.00 -0.49 117.51 119.63 1k5p h ILE 286 Ca 0.08 -0.83 0.02 0.00 1.00 0.00 0.00 64.86 65.13 1k5p h ILE 286 Cb 0.91 0.96 -0.03 0.00 -0.74 0.00 0.00 36.82 37.92 1k5p h ILE 286 CO 0.08 0.29 0.27 0.00 0.00 0.00 0.00 178.15 178.80 1k5p h ALA 287 N 0.95 0.58 -0.76 1.87 0.00 -0.82 0.36 119.26 121.43 1k5p h ALA 287 Ca 0.13 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 55.00 1k5p h ALA 287 Cb 0.34 -0.13 -0.04 0.00 0.00 0.00 0.00 17.79 17.96 1k5p h ALA 287 CO 0.00 -0.04 0.34 0.00 0.00 0.00 0.00 179.25 179.55 1k5p h ALA 288 N 1.20 1.16 -0.26 0.00 0.00 -1.12 -0.73 119.26 119.52 1k5p h ALA 288 Ca 0.18 -0.17 -0.02 0.00 0.00 0.00 0.00 54.91 54.90 1k5p h ALA 288 Cb 0.01 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 17.49 1k5p h ALA 288 CO -0.08 0.62 0.08 0.35 0.00 0.00 0.00 179.25 180.22 1k5p h PHE 289 N 1.09 0.42 -0.22 0.00 3.57 -0.62 -2.50 116.94 118.69 1k5p h PHE 289 Ca 0.26 -0.04 -0.07 0.00 3.53 0.00 0.00 57.97 61.65 1k5p h PHE 289 Cb 0.15 -0.12 -0.01 0.00 2.79 0.00 0.00 35.95 38.75 1k5p h PHE 289 CO 0.02 0.47 -0.16 0.28 -2.23 0.00 0.00 178.31 176.68 1k5p h VAL 290 N 0.25 1.22 -0.08 1.41 2.07 -0.53 -2.26 116.25 118.33 1k5p h VAL 290 Ca 0.08 -1.00 -0.09 0.00 0.82 0.00 0.00 66.70 66.51 1k5p h VAL 290 Cb 0.25 1.23 -0.01 0.00 -1.52 0.00 0.00 31.29 31.24 1k5p h VAL 290 CO -0.00 0.32 -0.37 0.03 0.02 0.00 0.00 177.57 177.57 1k5p h ARG 291 N 0.34 0.16 -0.27 1.57 3.08 -1.01 0.19 114.38 118.45 1k5p h ARG 291 Ca 0.06 -0.07 -0.17 0.00 0.07 0.00 0.00 59.98 59.88 1k5p h ARG 291 Cb 0.49 -0.01 -0.00 0.00 0.08 0.00 0.00 29.97 30.53 1k5p h ARG 291 CO 0.03 0.51 -0.51 0.00 -1.07 0.00 0.00 179.97 178.94 1k5p h ARG 292 N 0.14 0.75 0.00 0.04 3.08 -0.98 -3.07 114.38 114.34 1k5p h ARG 292 Ca 0.02 -0.45 -0.10 0.00 0.07 0.00 0.00 59.98 59.51 1k5p h ARG 292 Cb 0.72 0.04 -0.01 0.00 0.08 0.00 0.00 29.97 30.80 1k5p h ARG 292 CO 0.05 1.08 -0.47 -0.07 -1.07 0.00 0.00 179.97 179.49 1k5p h LEU 293 N 0.59 0.00 -5.95 3.04 3.38 -0.92 -3.37 115.31 112.08 1k5p h LEU 293 Ca 0.02 0.00 -0.58 0.00 0.09 0.00 0.00 57.88 57.41 1k5p h LEU 293 Cb 1.08 0.00 -0.41 0.00 0.09 0.00 0.00 40.66 41.42 1k5p h LEU 293 CO 0.11 0.47 -0.73 0.54 0.09 0.00 0.00 178.44 178.92 1k5p n ARG 294 N -3.35 2.27 -1.67 1.13 1.74 0.62 -5.09 116.66 112.31 1k5p n ARG 294 Ca 0.01 -4.38 -0.45 0.00 -0.77 0.00 0.00 57.85 52.25 1k5p n ARG 294 Cb 0.65 -2.04 -0.04 0.00 -1.02 0.00 0.00 32.46 30.01 1k5p n ARG 294 CO 0.00 0.00 0.00 -0.35 -1.52 0.00 0.00 177.63 175.76 1k5p n PRO 295 N 0.66 2.51 0.00 5.56 -0.04 -1.17 -4.78 135.00 137.74 1k5p n PRO 295 Ca 0.28 0.92 0.12 0.00 -0.04 0.00 0.00 63.50 64.78 1k5p n PRO 295 Cb 0.44 -2.83 0.14 0.00 -0.04 0.00 0.00 33.50 31.22 1k5p n PRO 295 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46