#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1pkq s VAL 2 N 0.00 4.92 -0.23 6.31 1.01 -1.26 -4.06 120.40 127.09 1pkq s VAL 2 Ca 0.00 1.82 -0.17 0.00 0.00 0.00 0.00 61.98 63.63 1pkq s VAL 2 Cb 0.00 -4.21 0.07 0.00 0.00 0.00 0.00 36.38 32.23 1pkq s VAL 2 CO 0.00 0.16 0.59 -0.54 0.00 0.00 0.00 175.10 175.31 1pkq s LYS 3 N 1.16 0.64 0.13 2.72 1.02 -0.14 -5.01 119.74 120.25 1pkq s LYS 3 Ca 0.46 0.96 0.05 0.00 0.02 0.00 0.00 55.97 57.46 1pkq s LYS 3 Cb -0.19 0.19 -0.04 0.00 -0.52 0.00 0.00 37.83 37.27 1pkq s LYS 3 CO 0.22 -0.12 0.05 -0.51 -0.92 0.00 0.00 175.35 174.07 1pkq s LEU 4 N 1.01 3.59 -0.03 3.17 1.02 -1.26 -1.48 118.68 124.70 1pkq s LEU 4 Ca -0.06 -0.19 -0.01 0.00 0.02 0.00 0.00 54.13 53.90 1pkq s LEU 4 Cb -0.05 -2.26 0.03 0.00 0.02 0.00 0.00 46.19 43.93 1pkq s LEU 4 CO -0.09 0.12 0.05 -2.28 0.02 0.00 0.00 176.35 174.17 1pkq s HIS 5 N -1.56 -0.01 0.22 0.29 2.46 0.14 -4.03 115.29 112.80 1pkq s HIS 5 Ca 0.28 0.19 0.08 0.00 0.47 0.00 0.00 55.06 56.07 1pkq s HIS 5 Cb -0.11 -0.18 -0.04 0.00 -0.13 0.00 0.00 32.58 32.13 1pkq s HIS 5 CO 0.21 -0.09 0.08 -1.21 -2.47 0.00 0.00 174.74 171.25 1pkq s GLU 6 N 0.95 2.61 -0.18 2.88 2.02 -1.26 0.68 118.70 126.40 1pkq s GLU 6 Ca -0.08 -1.15 -0.30 0.00 0.02 0.00 0.00 54.97 53.47 1pkq s GLU 6 Cb -0.11 -2.41 0.13 0.00 0.10 0.00 0.00 34.13 31.85 1pkq s GLU 6 CO -0.03 0.42 1.04 -1.54 0.02 0.00 0.00 175.26 175.16 1pkq s SER 7 N -3.47 -0.34 0.00 -0.19 1.04 -0.30 -4.75 113.70 105.69 1pkq s SER 7 Ca 0.31 0.38 0.00 0.00 0.48 0.00 0.00 55.95 57.12 1pkq s SER 7 Cb -0.08 0.29 0.00 0.00 0.10 0.00 0.00 66.02 66.33 1pkq s SER 7 CO 0.22 -0.30 0.00 0.61 0.98 0.00 0.00 173.24 174.74 1pkq n GLY 8 N 0.76 3.06 1.54 7.32 0.00 -1.26 0.25 105.19 116.86 1pkq n GLY 8 Ca -0.09 -0.31 -0.26 0.00 0.00 0.00 0.00 46.02 45.36 1pkq n GLY 8 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1pkq n ALA 9 N -0.73 -1.89 1.23 4.61 0.00 -1.26 -4.86 120.51 117.62 1pkq n ALA 9 Ca 0.00 0.26 0.13 0.00 0.00 0.00 0.00 53.44 53.83 1pkq n ALA 9 Cb 0.00 -0.77 0.30 0.00 0.00 0.00 0.00 19.45 18.97 1pkq n ALA 9 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1pkq n GLY 10 N 0.66 0.51 3.03 0.00 0.00 -1.26 -4.75 105.19 103.39 1pkq n GLY 10 Ca 0.09 -0.57 -0.13 0.00 0.00 0.00 0.00 46.02 45.40 1pkq n GLY 10 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1pkq s LEU 11 N -2.01 -0.32 0.00 0.99 2.96 -1.26 -2.38 118.68 116.67 1pkq s LEU 11 Ca 0.32 0.63 -0.04 0.00 -0.22 0.00 0.00 54.13 54.82 1pkq s LEU 11 Cb 0.20 0.76 -0.00 0.00 0.50 0.00 0.00 46.19 47.65 1pkq s LEU 11 CO 0.32 -0.24 0.07 -0.69 -1.32 0.00 0.00 176.35 174.49 1pkq s VAL 12 N 2.41 0.07 0.26 1.68 1.01 -0.95 -5.01 120.40 119.87 1pkq s VAL 12 Ca 0.01 -0.60 -0.29 0.00 0.00 0.00 0.00 61.98 61.09 1pkq s VAL 12 Cb -0.12 -0.30 -0.09 0.00 0.00 0.00 0.00 36.38 35.87 1pkq s VAL 12 CO -0.09 -0.33 1.22 -0.54 0.00 0.00 0.00 175.10 175.36 1pkq s LYS 13 N -1.07 4.48 0.71 2.72 -0.14 -1.25 -1.16 119.74 124.03 1pkq s LYS 13 Ca -0.12 1.98 -0.17 0.00 -1.36 0.00 0.00 55.97 56.31 1pkq s LYS 13 Cb -0.07 -3.17 -0.07 0.00 -1.68 0.00 0.00 37.83 32.84 1pkq s LYS 13 CO 0.00 -0.05 0.28 -2.30 -0.76 0.00 0.00 175.35 172.52 1pkq n PRO 14 N 1.65 0.21 -2.25 -1.68 -0.02 -1.26 -2.51 135.00 129.15 1pkq n PRO 14 Ca 0.02 0.10 -0.19 0.00 -2.02 0.00 0.00 63.50 61.41 1pkq n PRO 14 Cb 0.44 -1.60 -0.02 0.00 -0.02 0.00 0.00 33.50 32.30 1pkq n PRO 14 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1pkq n GLY 15 N 1.99 -0.09 0.00 -1.23 0.00 -0.43 -4.88 105.19 100.55 1pkq n GLY 15 Ca 0.08 -0.08 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1pkq n GLY 15 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1pkq n ALA 16 N -1.45 0.00 -3.17 4.61 0.00 -1.04 -4.63 120.51 114.82 1pkq n ALA 16 Ca -0.22 0.00 -0.13 0.00 0.00 0.00 0.00 53.44 53.09 1pkq n ALA 16 Cb 0.67 0.00 -0.14 0.00 0.00 0.00 0.00 19.45 19.98 1pkq n ALA 16 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 1pkq s SER 17 N 1.00 -0.08 0.01 0.00 1.04 -1.26 0.70 113.70 115.12 1pkq s SER 17 Ca 0.00 0.18 0.08 0.00 0.48 0.00 0.00 55.95 56.69 1pkq s SER 17 Cb 0.00 0.15 -0.02 0.00 0.10 0.00 0.00 66.02 66.25 1pkq s SER 17 CO 0.00 -0.06 -0.24 0.54 0.98 0.00 0.00 173.24 174.46 1pkq s VAL 18 N 0.34 1.89 -0.49 5.02 0.11 -0.22 -4.98 120.40 122.08 1pkq s VAL 18 Ca -0.02 -1.16 0.03 0.00 -2.93 0.00 0.00 61.98 57.90 1pkq s VAL 18 Cb -0.04 -1.60 0.13 0.00 -1.53 0.00 0.00 36.38 33.34 1pkq s VAL 18 CO -0.01 0.41 0.25 -1.61 -3.33 0.00 0.00 175.10 170.81 1pkq s GLU 19 N -0.88 1.69 0.27 1.54 2.02 -1.26 -0.33 118.70 121.75 1pkq s GLU 19 Ca 0.09 -2.37 -0.29 0.00 0.02 0.00 0.00 54.97 52.42 1pkq s GLU 19 Cb -0.09 -2.90 -0.09 0.00 0.10 0.00 0.00 34.13 31.14 1pkq s GLU 19 CO 0.01 -1.13 1.11 -1.50 0.02 0.00 0.00 175.26 173.76 1pkq s ILE 20 N -0.03 3.47 0.11 -1.63 2.07 -0.20 -4.79 121.20 120.20 1pkq s ILE 20 Ca 0.17 1.47 0.09 0.00 -1.41 0.00 0.00 60.65 60.97 1pkq s ILE 20 Cb -0.25 -3.93 -0.04 0.00 0.13 0.00 0.00 42.46 38.37 1pkq s ILE 20 CO -0.00 0.34 -0.19 -0.94 -1.91 0.00 0.00 174.94 172.24 1pkq s SER 21 N -0.79 3.82 -0.20 4.50 1.04 0.14 -1.48 113.70 120.74 1pkq s SER 21 Ca 0.45 -0.56 0.01 0.00 0.48 0.00 0.00 55.95 56.33 1pkq s SER 21 Cb -0.32 -0.52 0.04 0.00 0.10 0.00 0.00 66.02 65.31 1pkq s SER 21 CO 0.41 0.19 -0.14 0.00 0.98 0.00 0.00 173.24 174.68 1pkq s LYS 23 N 1.31 4.07 -0.06 0.00 2.36 0.21 -0.36 119.74 127.28 1pkq s LYS 23 Ca 0.00 -0.29 0.05 0.00 -2.55 0.00 0.00 55.97 53.18 1pkq s LYS 23 Cb -0.15 -3.33 -0.02 0.00 -1.05 0.00 0.00 37.83 33.27 1pkq s LYS 23 CO -0.10 0.25 -0.20 0.00 1.55 0.00 0.00 175.35 176.86 1pkq s ALA 24 N 0.46 2.40 0.00 3.13 0.00 -0.53 0.27 121.76 127.49 1pkq s ALA 24 Ca 0.06 -1.01 0.00 0.00 0.00 0.00 0.00 51.96 51.01 1pkq s ALA 24 Cb -0.12 -0.83 -0.00 0.00 0.00 0.00 0.00 23.12 22.16 1pkq s ALA 24 CO -0.00 0.46 -0.01 0.95 0.00 0.00 0.00 175.76 177.15 1pkq s THR 25 N -0.35 0.08 0.00 0.00 -4.23 -0.55 -4.81 115.64 105.78 1pkq s THR 25 Ca 0.03 -0.08 0.00 0.00 -1.18 0.00 0.00 61.69 60.45 1pkq s THR 25 Cb -0.12 -0.08 0.00 0.00 1.34 0.00 0.00 72.50 73.63 1pkq s THR 25 CO 0.02 -0.00 0.00 0.61 -0.54 0.00 0.00 174.62 174.71 1pkq n GLY 26 N 2.99 1.61 3.67 3.99 0.00 -1.26 -0.97 105.19 115.23 1pkq n GLY 26 Ca -0.13 0.00 0.04 0.00 0.00 0.00 0.00 46.02 45.93 1pkq n GLY 26 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1pkq s TYR 27 N -2.00 -0.00 -1.17 1.61 1.13 -1.26 -4.33 117.35 111.32 1pkq s TYR 27 Ca 0.00 -0.01 -0.22 0.00 -1.41 0.00 0.00 57.07 55.43 1pkq s TYR 27 Cb 0.00 0.51 -0.05 0.00 -1.10 0.00 0.00 41.96 41.32 1pkq s TYR 27 CO 0.00 -0.04 1.88 -0.08 -2.51 0.00 0.00 175.55 174.81 1pkq s THR 28 N -2.04 3.65 0.41 -3.49 -1.32 -1.26 -4.79 115.64 106.80 1pkq s THR 28 Ca 0.19 -1.03 0.33 0.00 -1.21 0.00 0.00 61.69 59.96 1pkq s THR 28 Cb 0.06 -4.64 0.50 0.00 -1.51 0.00 0.00 72.50 66.91 1pkq s THR 28 CO -0.06 -1.21 1.36 0.33 -2.21 0.00 0.00 174.62 172.84 1pkq n PHE 29 N 13.08 0.44 1.73 9.09 7.35 -1.26 -2.02 117.46 145.87 1pkq n PHE 29 Ca 0.45 0.45 0.15 0.00 -0.76 0.00 0.00 57.45 57.73 1pkq n PHE 29 Cb 0.47 -0.87 0.76 0.00 0.35 0.00 0.00 39.48 40.18 1pkq n PHE 29 CO 0.00 0.00 0.00 0.45 -0.76 0.00 0.00 176.76 176.45 1pkq n SER 30 N -4.23 0.52 -0.15 -2.13 2.88 -1.26 -4.01 113.62 105.24 1pkq n SER 30 Ca 0.36 -1.04 0.05 0.00 -1.33 0.00 0.00 58.87 56.92 1pkq n SER 30 Cb 1.48 -0.02 0.09 0.00 -0.75 0.00 0.00 64.21 65.01 1pkq n SER 30 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 1pkq n SER 31 N -0.66 2.37 -4.07 -3.46 7.64 -0.85 -4.45 113.62 110.14 1pkq n SER 31 Ca 0.20 -2.54 -0.25 0.00 1.01 0.00 0.00 58.87 57.29 1pkq n SER 31 Cb 0.22 -0.24 -0.16 0.00 -1.01 0.00 0.00 64.21 63.01 1pkq n SER 31 CO 0.00 0.00 0.00 -0.36 -3.01 0.00 0.00 175.04 171.67 1pkq s PHE 32 N -1.93 1.58 0.22 1.43 0.40 -1.26 -5.09 117.98 113.33 1pkq s PHE 32 Ca 0.19 -0.54 -0.30 0.00 -0.60 0.00 0.00 56.93 55.68 1pkq s PHE 32 Cb 0.15 -1.11 -0.09 0.00 0.51 0.00 0.00 43.02 42.48 1pkq s PHE 32 CO 0.03 -0.24 1.33 -1.58 0.70 0.00 0.00 175.22 175.47 1pkq s TRP 33 N 0.40 3.20 -0.17 0.36 0.52 -1.26 -4.50 118.94 117.49 1pkq s TRP 33 Ca -0.11 1.20 -0.08 0.00 0.02 0.00 0.00 56.10 57.14 1pkq s TRP 33 Cb -0.14 -3.65 -0.04 0.00 -1.15 0.00 0.00 33.47 28.49 1pkq s TRP 33 CO 0.03 -2.02 0.09 0.42 0.02 0.00 0.00 176.95 175.49 1pkq s ILE 34 N 0.00 5.03 -0.07 2.03 -1.09 0.08 -4.22 121.20 122.97 1pkq s ILE 34 Ca 0.57 0.05 -0.02 0.00 -2.23 0.00 0.00 60.65 59.01 1pkq s ILE 34 Cb -0.38 -3.25 -0.04 0.00 -1.58 0.00 0.00 42.46 37.21 1pkq s ILE 34 CO 0.40 0.49 0.05 -1.61 -1.23 0.00 0.00 174.94 173.04 1pkq s GLU 35 N 0.05 3.07 -0.19 2.79 0.41 0.47 -1.25 118.70 124.06 1pkq s GLU 35 Ca 0.07 -0.39 -0.01 0.00 -0.41 0.00 0.00 54.97 54.23 1pkq s GLU 35 Cb -0.12 -2.87 0.00 0.00 -1.78 0.00 0.00 34.13 29.36 1pkq s GLU 35 CO 0.00 0.70 -0.12 -1.58 -0.49 0.00 0.00 175.26 173.77 1pkq s TRP 36 N -1.00 2.85 -0.16 1.61 0.52 -0.77 0.17 118.94 122.16 1pkq s TRP 36 Ca 0.16 -1.13 0.02 0.00 0.02 0.00 0.00 56.10 55.17 1pkq s TRP 36 Cb -0.12 -1.98 0.01 0.00 -1.15 0.00 0.00 33.47 30.24 1pkq s TRP 36 CO 0.06 -0.57 -0.21 0.08 0.02 0.00 0.00 176.95 176.33 1pkq s VAL 37 N 1.17 2.09 0.17 4.03 1.01 -0.45 -0.07 120.40 128.34 1pkq s VAL 37 Ca 0.01 -0.95 -0.13 0.00 0.00 0.00 0.00 61.98 60.91 1pkq s VAL 37 Cb -0.14 -1.85 -0.07 0.00 0.00 0.00 0.00 36.38 34.32 1pkq s VAL 37 CO -0.04 0.54 0.55 -0.75 0.00 0.00 0.00 175.10 175.40 1pkq s LYS 38 N 1.02 3.93 -0.18 2.72 2.20 0.22 -0.00 119.74 129.66 1pkq s LYS 38 Ca -0.02 0.44 -0.12 0.00 -0.36 0.00 0.00 55.97 55.91 1pkq s LYS 38 Cb -0.14 -2.85 0.05 0.00 -1.51 0.00 0.00 37.83 33.38 1pkq s LYS 38 CO -0.07 0.44 0.44 -1.14 -0.36 0.00 0.00 175.35 174.66 1pkq s GLN 39 N -2.18 0.45 -0.02 4.03 0.74 -0.82 0.15 119.66 122.01 1pkq s GLN 39 Ca 0.40 0.76 -0.00 0.00 0.05 0.00 0.00 55.36 56.57 1pkq s GLN 39 Cb -0.14 0.08 0.02 0.00 1.10 0.00 0.00 33.01 34.07 1pkq s GLN 39 CO 0.20 -0.12 0.04 -0.98 -0.55 0.00 0.00 175.29 173.87 1pkq s ARG 40 N 1.02 -0.01 0.04 1.67 1.70 -1.26 -1.19 118.95 120.92 1pkq s ARG 40 Ca -0.06 0.15 -0.06 0.00 -0.47 0.00 0.00 55.73 55.28 1pkq s ARG 40 Cb -0.06 -0.15 0.00 0.00 -0.57 0.00 0.00 34.95 34.16 1pkq s ARG 40 CO -0.09 -0.11 0.34 -2.30 -1.08 0.00 0.00 175.30 172.06 1pkq n PRO 41 N 3.79 -0.09 0.00 3.89 -0.02 -1.26 0.13 135.00 141.44 1pkq n PRO 41 Ca -0.22 0.34 0.00 0.00 -2.02 0.00 0.00 63.50 61.60 1pkq n PRO 41 Cb 0.54 -0.49 0.02 0.00 -0.02 0.00 0.00 33.50 33.55 1pkq n PRO 41 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1pkq n GLY 42 N -1.07 -0.55 3.49 -1.23 0.00 -1.26 -4.72 105.19 99.85 1pkq n GLY 42 Ca 0.01 -0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.89 1pkq n GLY 42 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1pkq s HIS 43 N -2.00 0.98 0.00 1.61 3.76 0.34 -5.17 115.29 114.81 1pkq s HIS 43 Ca 0.01 -1.23 0.00 0.00 -0.15 0.00 0.00 55.06 53.70 1pkq s HIS 43 Cb 0.01 -0.07 0.00 0.00 1.11 0.00 0.00 32.58 33.63 1pkq s HIS 43 CO 0.01 -1.10 0.00 0.41 -0.85 0.00 0.00 174.74 173.21 1pkq n GLY 44 N -0.53 2.60 3.78 -2.22 0.00 -1.26 -4.36 105.19 103.20 1pkq n GLY 44 Ca 0.01 -1.99 -0.36 0.00 0.00 0.00 0.00 46.02 43.68 1pkq n GLY 44 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1pkq s LEU 45 N 0.00 4.16 -0.05 0.99 1.43 -1.26 -4.04 118.68 119.91 1pkq s LEU 45 Ca 0.00 2.00 0.03 0.00 -1.03 0.00 0.00 54.13 55.14 1pkq s LEU 45 Cb 0.00 -4.18 0.00 0.00 0.03 0.00 0.00 46.19 42.05 1pkq s LEU 45 CO 0.00 -0.44 -0.14 -1.61 0.23 0.00 0.00 176.35 174.39 1pkq s GLU 46 N -2.47 1.60 -0.16 1.70 2.02 0.12 -4.98 118.70 116.54 1pkq s GLU 46 Ca 0.57 -0.50 -0.16 0.00 0.02 0.00 0.00 54.97 54.90 1pkq s GLU 46 Cb -0.21 -1.39 -0.04 0.00 0.10 0.00 0.00 34.13 32.59 1pkq s GLU 46 CO 0.27 0.16 0.40 -0.46 0.02 0.00 0.00 175.26 175.65 1pkq s TRP 47 N 0.22 3.45 -0.23 1.61 -0.00 -1.26 -0.61 118.94 122.12 1pkq s TRP 47 Ca -0.06 0.72 -0.10 0.00 -0.00 0.00 0.00 56.10 56.65 1pkq s TRP 47 Cb -0.12 -2.49 -0.17 0.00 -0.00 0.00 0.00 33.47 30.69 1pkq s TRP 47 CO 0.02 0.13 -0.09 -0.89 -0.00 0.00 0.00 176.95 176.12 1pkq n ILE 48 N 3.87 1.56 -3.36 5.86 5.41 0.90 -4.75 119.36 128.86 1pkq n ILE 48 Ca -0.09 -0.40 0.00 0.00 1.00 0.00 0.00 62.75 63.26 1pkq n ILE 48 Cb 0.51 -1.78 0.00 0.00 -0.71 0.00 0.00 39.64 37.67 1pkq n ILE 48 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 1pkq n GLY 49 N 1.66 -0.54 3.65 7.39 0.00 -1.24 0.58 105.19 116.71 1pkq n GLY 49 Ca -0.44 -0.78 -0.10 0.00 0.00 0.00 0.00 46.02 44.70 1pkq n GLY 49 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1pkq s GLU 50 N -0.72 1.74 -0.24 1.61 -1.05 -0.57 -1.84 118.70 117.63 1pkq s GLU 50 Ca 0.00 -1.31 -0.25 0.00 -0.15 0.00 0.00 54.97 53.25 1pkq s GLU 50 Cb 0.00 0.51 0.07 0.00 -0.44 0.00 0.00 34.13 34.27 1pkq s GLU 50 CO 0.00 -0.75 0.71 -1.50 0.95 0.00 0.00 175.26 174.67 1pkq s ILE 51 N -3.62 0.00 -0.47 1.83 2.07 -0.38 -2.80 121.20 117.83 1pkq s ILE 51 Ca 0.21 -0.00 -0.12 0.00 -1.41 0.00 0.00 60.65 59.32 1pkq s ILE 51 Cb -0.02 -0.99 0.10 0.00 0.13 0.00 0.00 42.46 41.68 1pkq s ILE 51 CO 0.11 -0.00 0.37 -0.22 -1.91 0.00 0.00 174.94 173.29 1pkq s LEU 52 N 0.19 5.65 0.44 8.50 2.96 -0.62 -0.74 118.68 135.06 1pkq s LEU 52 Ca -0.01 -1.64 -0.25 0.00 -0.22 0.00 0.00 54.13 52.01 1pkq s LEU 52 Cb -0.04 -2.09 -0.09 0.00 0.50 0.00 0.00 46.19 44.46 1pkq s LEU 52 CO 0.02 -0.68 1.29 -2.65 -1.32 0.00 0.00 176.35 173.01 1pkq n PRO 52 N 5.06 1.94 0.00 0.98 -0.02 -1.26 -0.30 135.00 141.39 1pkq n PRO 52 Ca -0.11 0.69 0.00 0.00 -2.02 0.00 0.00 63.50 62.06 1pkq n PRO 52 Cb 0.42 -2.43 0.00 0.00 -0.02 0.00 0.00 33.50 31.47 1pkq n PRO 52 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1pkq n GLY 53 N 0.79 1.80 0.34 -1.23 0.00 -1.26 -4.40 105.19 101.23 1pkq n GLY 53 Ca 0.07 -0.44 0.12 0.00 0.00 0.00 0.00 46.02 45.77 1pkq n GLY 53 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 1pkq h ARG 54 N 0.00 0.68 0.00 1.61 -0.00 -1.81 -3.45 114.38 111.41 1pkq h ARG 54 Ca 0.00 -0.04 0.00 0.00 -0.50 0.00 0.00 59.98 59.44 1pkq h ARG 54 Cb 0.00 -0.15 0.00 0.00 0.00 0.00 0.00 29.97 29.82 1pkq h ARG 54 CO 0.00 0.45 0.00 0.41 0.00 0.00 0.00 179.97 180.83 1pkq n GLY 55 N -1.33 0.69 3.77 0.04 0.00 0.59 -5.05 105.19 103.90 1pkq n GLY 55 Ca 0.23 -0.30 -0.38 0.00 0.00 0.00 0.00 46.02 45.56 1pkq n GLY 55 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1pkq s ARG 56 N -0.78 4.12 0.07 1.61 0.52 -1.16 -4.84 118.95 118.49 1pkq s ARG 56 Ca 0.00 1.82 0.04 0.00 -0.52 0.00 0.00 55.73 57.08 1pkq s ARG 56 Cb 0.00 -2.72 -0.03 0.00 0.52 0.00 0.00 34.95 32.73 1pkq s ARG 56 CO 0.00 -0.26 -0.12 0.95 0.02 0.00 0.00 175.30 175.89 1pkq s THR 57 N -1.41 0.97 -0.22 0.02 -4.23 -1.26 -1.59 115.64 107.92 1pkq s THR 57 Ca 0.56 -1.31 -0.04 0.00 -1.18 0.00 0.00 61.69 59.72 1pkq s THR 57 Cb -0.30 -1.02 0.11 0.00 1.34 0.00 0.00 72.50 72.63 1pkq s THR 57 CO 0.38 -0.31 0.28 0.20 -0.54 0.00 0.00 174.62 174.63 1pkq s ASN 58 N -1.82 0.95 0.23 3.99 0.02 -1.12 -5.01 114.94 112.18 1pkq s ASN 58 Ca -0.02 -0.05 0.08 0.00 -1.02 0.00 0.00 52.86 51.84 1pkq s ASN 58 Cb -0.09 0.66 -0.04 0.00 0.02 0.00 0.00 41.25 41.80 1pkq s ASN 58 CO 0.02 -0.32 0.08 -0.31 0.02 0.00 0.00 177.10 176.59 1pkq s TYR 59 N 2.41 2.91 0.23 2.20 1.51 -1.26 -1.51 117.35 123.85 1pkq s TYR 59 Ca 0.09 -0.15 -0.30 0.00 -1.01 0.00 0.00 57.07 55.71 1pkq s TYR 59 Cb -0.16 -1.33 -0.09 0.00 -0.11 0.00 0.00 41.96 40.28 1pkq s TYR 59 CO -0.13 0.56 1.11 1.21 -1.11 0.00 0.00 175.55 177.18 1pkq s ASN 60 N -3.55 7.25 0.20 2.29 3.84 0.20 -4.91 114.94 120.25 1pkq s ASN 60 Ca 0.31 2.20 -0.18 0.00 0.21 0.00 0.00 52.86 55.41 1pkq s ASN 60 Cb -0.08 -2.62 0.17 0.00 -0.55 0.00 0.00 41.25 38.18 1pkq s ASN 60 CO 0.22 -0.20 1.60 -0.08 -2.79 0.00 0.00 177.10 175.86 1pkq h GLU 61 N 4.44 -0.10 0.00 0.43 4.57 -1.96 -0.05 114.58 121.91 1pkq h GLU 61 Ca -0.46 0.01 -0.00 0.00 -1.18 0.00 0.00 59.36 57.73 1pkq h GLU 61 Cb 1.21 0.02 -0.00 0.00 -0.16 0.00 0.00 28.75 29.82 1pkq h GLU 61 CO 0.70 -0.07 -0.01 1.57 -1.18 0.00 0.00 179.01 180.02 1pkq h LYS 62 N -0.11 0.00 -0.02 1.92 2.10 -1.96 -1.34 116.57 117.17 1pkq h LYS 62 Ca 0.26 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.91 1pkq h LYS 62 Cb 0.52 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.85 1pkq h LYS 62 CO -0.65 0.01 -0.21 1.19 -2.00 0.00 0.00 179.45 177.78 1pkq n PHE 63 N -3.51 0.00 -1.80 0.07 3.01 -0.09 -4.81 117.46 110.33 1pkq n PHE 63 Ca -0.03 0.00 -0.42 0.00 1.01 0.00 0.00 57.45 58.01 1pkq n PHE 63 Cb 0.10 -0.02 -0.03 0.00 -0.01 0.00 0.00 39.48 39.52 1pkq n PHE 63 CO 0.00 0.00 0.00 0.15 1.01 0.00 0.00 176.76 177.92 1pkq s LYS 64 N -2.25 4.16 0.00 -1.08 1.02 -0.51 -0.94 119.74 120.14 1pkq s LYS 64 Ca 0.25 2.50 0.00 0.00 0.02 0.00 0.00 55.97 58.75 1pkq s LYS 64 Cb 0.19 -3.49 0.00 0.00 -0.52 0.00 0.00 37.83 34.01 1pkq s LYS 64 CO 0.44 -0.78 0.00 0.41 -0.92 0.00 0.00 175.35 174.50 1pkq n GLY 65 N 4.09 2.63 0.25 -3.33 0.00 -1.26 -4.78 105.19 102.80 1pkq n GLY 65 Ca 0.17 -0.54 -0.10 0.00 0.00 0.00 0.00 46.02 45.54 1pkq n GLY 65 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 1pkq h LYS 66 N 0.00 -0.54 -6.28 1.61 1.63 -1.49 -3.46 116.57 108.04 1pkq h LYS 66 Ca 0.00 0.04 -0.48 0.00 -0.85 0.00 0.00 60.65 59.36 1pkq h LYS 66 Cb 0.00 0.12 -0.01 0.00 -0.60 0.00 0.00 32.23 31.75 1pkq h LYS 66 CO 0.00 -0.29 -0.36 0.00 -3.45 0.00 0.00 179.45 175.35 1pkq s ALA 67 N -4.14 3.86 -0.26 5.00 0.00 -0.12 -4.20 121.76 121.91 1pkq s ALA 67 Ca -0.10 -1.09 -0.11 0.00 0.00 0.00 0.00 51.96 50.66 1pkq s ALA 67 Cb 0.01 -1.86 0.10 0.00 0.00 0.00 0.00 23.12 21.37 1pkq s ALA 67 CO 0.33 0.20 0.58 0.99 0.00 0.00 0.00 175.76 177.85 1pkq s THR 68 N -2.05 -0.55 0.22 0.00 2.01 -1.08 -4.82 115.64 109.36 1pkq s THR 68 Ca 0.36 0.05 0.06 0.00 0.31 0.00 0.00 61.69 62.47 1pkq s THR 68 Cb -0.09 -0.87 -0.03 0.00 0.01 0.00 0.00 72.50 71.51 1pkq s THR 68 CO 0.31 0.02 0.25 -0.36 -0.69 0.00 0.00 174.62 174.15 1pkq s PHE 69 N 2.33 3.27 0.03 4.92 2.99 -1.26 -0.64 117.98 129.63 1pkq s PHE 69 Ca -0.06 -0.04 -0.28 0.00 0.00 0.00 0.00 56.93 56.54 1pkq s PHE 69 Cb -0.10 -1.50 0.10 0.00 0.00 0.00 0.00 43.02 41.52 1pkq s PHE 69 CO -0.17 0.50 1.20 -0.08 -0.00 0.00 0.00 175.22 176.67 1pkq s THR 70 N -1.97 0.00 0.19 0.64 -1.32 -0.90 -4.98 115.64 107.29 1pkq s THR 70 Ca 0.33 -0.33 -0.23 0.00 -1.21 0.00 0.00 61.69 60.25 1pkq s THR 70 Cb -0.09 -2.19 0.06 0.00 -1.51 0.00 0.00 72.50 68.77 1pkq s THR 70 CO 0.26 0.00 0.68 0.00 -2.21 0.00 0.00 174.62 173.36 1pkq s ALA 71 N -2.52 -1.50 -0.26 11.08 0.00 -1.26 0.83 121.76 128.13 1pkq s ALA 71 Ca 0.16 0.25 -0.02 0.00 0.00 0.00 0.00 51.96 52.35 1pkq s ALA 71 Cb 0.02 0.82 0.08 0.00 0.00 0.00 0.00 23.12 24.05 1pkq s ALA 71 CO -0.02 -0.87 0.07 -1.83 0.00 0.00 0.00 175.76 173.12 1pkq s GLU 72 N -3.73 0.69 0.43 0.00 -1.05 -0.59 -4.91 118.70 109.55 1pkq s GLU 72 Ca 0.05 -0.76 0.25 0.00 -0.15 0.00 0.00 54.97 54.36 1pkq s GLU 72 Cb -0.03 -1.99 1.26 0.00 -0.44 0.00 0.00 34.13 32.94 1pkq s GLU 72 CO -0.05 -0.83 1.73 1.79 0.95 0.00 0.00 175.26 178.84 1pkq h THR 73 N 6.50 0.38 -1.20 1.83 1.35 -1.97 0.45 112.91 120.24 1pkq h THR 73 Ca -0.15 -0.08 0.34 0.00 -0.55 0.00 0.00 66.41 65.97 1pkq h THR 73 Cb 1.06 0.11 -0.06 0.00 -1.73 0.00 0.00 68.15 67.53 1pkq h THR 73 CO 0.41 0.04 0.85 0.77 -0.25 0.00 0.00 175.52 177.34 1pkq h SER 74 N 0.25 0.09 0.00 5.36 4.64 -1.96 -2.44 113.55 119.48 1pkq h SER 74 Ca 0.67 0.02 0.00 0.00 -0.47 0.00 0.00 61.79 62.01 1pkq h SER 74 Cb 1.96 0.01 0.00 0.00 -0.31 0.00 0.00 62.40 64.06 1pkq h SER 74 CO -0.30 0.01 0.00 -1.54 -0.87 0.00 0.00 176.83 174.13 1pkq n SER 75 N -4.27 1.20 -3.83 4.97 3.41 0.11 -5.00 113.62 110.22 1pkq n SER 75 Ca 0.27 -1.52 -0.27 0.00 -0.26 0.00 0.00 58.87 57.09 1pkq n SER 75 Cb 1.22 0.00 0.03 0.00 -0.26 0.00 0.00 64.21 65.21 1pkq n SER 75 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 1pkq n ASN 76 N -0.26 -3.97 -4.13 4.04 4.13 -0.92 -4.78 115.26 109.37 1pkq n ASN 76 Ca 0.00 -0.77 -0.29 0.00 1.68 0.00 0.00 54.58 55.20 1pkq n ASN 76 Cb 0.27 -4.04 -0.17 0.00 -1.54 0.00 0.00 39.78 34.30 1pkq n ASN 76 CO 0.00 0.00 0.00 -0.89 0.28 0.00 0.00 177.26 176.65 1pkq s THR 77 N -3.40 1.67 -0.10 3.41 2.01 -1.23 -1.45 115.64 116.55 1pkq s THR 77 Ca 0.48 -0.79 -0.03 0.00 0.31 0.00 0.00 61.69 61.66 1pkq s THR 77 Cb -0.24 -1.48 -0.03 0.00 0.01 0.00 0.00 72.50 70.76 1pkq s THR 77 CO 0.82 0.47 0.01 0.00 -0.69 0.00 0.00 174.62 175.23 1pkq s ALA 78 N 0.53 3.30 0.25 7.40 0.00 0.51 -1.54 121.76 132.22 1pkq s ALA 78 Ca -0.16 -0.79 0.12 0.00 0.00 0.00 0.00 51.96 51.13 1pkq s ALA 78 Cb -0.17 -1.55 -0.05 0.00 0.00 0.00 0.00 23.12 21.35 1pkq s ALA 78 CO 0.06 0.52 -0.21 0.71 0.00 0.00 0.00 175.76 176.83 1pkq s TYR 79 N -0.66 2.30 -0.04 0.00 1.51 0.24 0.14 117.35 120.85 1pkq s TYR 79 Ca 0.11 -0.34 0.00 0.00 -1.01 0.00 0.00 57.07 55.83 1pkq s TYR 79 Cb -0.12 -1.05 0.03 0.00 -0.11 0.00 0.00 41.96 40.71 1pkq s TYR 79 CO 0.02 0.64 0.00 1.41 -1.11 0.00 0.00 175.55 176.52 1pkq s MET 80 N -3.21 0.35 -0.29 -0.62 1.75 -0.55 -2.12 119.30 114.60 1pkq s MET 80 Ca 0.27 0.09 0.03 0.00 -1.25 0.00 0.00 55.69 54.83 1pkq s MET 80 Cb -0.06 -0.57 0.08 0.00 2.84 0.00 0.00 34.83 37.11 1pkq s MET 80 CO 0.13 -0.17 -0.04 -1.14 -0.65 0.00 0.00 175.02 173.15 1pkq s GLN 81 N 1.23 1.92 0.81 4.11 0.74 0.19 -1.03 119.66 127.63 1pkq s GLN 81 Ca -0.07 -1.57 -0.08 0.00 0.05 0.00 0.00 55.36 53.69 1pkq s GLN 81 Cb -0.13 -3.03 0.14 0.00 1.10 0.00 0.00 33.01 31.09 1pkq s GLN 81 CO -0.02 -0.73 1.13 -0.51 -0.55 0.00 0.00 175.29 174.61 1pkq s LEU 82 N 1.02 2.84 0.00 3.68 1.43 0.55 -2.64 118.68 125.55 1pkq s LEU 82 Ca -0.00 0.05 0.00 0.00 -1.03 0.00 0.00 54.13 53.14 1pkq s LEU 82 Cb -0.20 -2.33 0.00 0.00 0.03 0.00 0.00 46.19 43.69 1pkq s LEU 82 CO -0.06 -2.16 0.00 -1.20 0.23 0.00 0.00 176.35 173.16 1pkq n SER 82 N -3.22 0.00 -4.66 2.29 7.64 0.22 -1.05 113.62 114.84 1pkq n SER 82 Ca 0.14 0.00 -0.41 0.00 1.01 0.00 0.00 58.87 59.60 1pkq n SER 82 Cb 0.60 0.00 0.01 0.00 -1.01 0.00 0.00 64.21 63.81 1pkq n SER 82 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 1pkq n LEU 82 N -0.68 3.38 -4.37 -3.43 7.99 -0.81 -4.54 117.00 114.54 1pkq n LEU 82 Ca 0.00 1.08 -0.19 0.00 -0.01 0.00 0.00 56.01 56.89 1pkq n LEU 82 Cb 0.00 -1.43 -0.10 0.00 -0.11 0.00 0.00 43.42 41.77 1pkq n LEU 82 CO 0.00 -1.02 -0.28 -0.89 -1.51 0.00 0.00 177.39 173.69 1pkq s THR 83 N -1.23 0.91 0.47 -5.08 2.01 -1.26 -1.32 115.64 110.15 1pkq s THR 83 Ca 0.62 -2.01 0.15 0.00 0.31 0.00 0.00 61.69 60.77 1pkq s THR 83 Cb -0.53 -2.63 0.22 0.00 0.01 0.00 0.00 72.50 69.56 1pkq s THR 83 CO 0.57 -0.07 2.05 0.28 -0.69 0.00 0.00 174.62 176.76 1pkq h SER 84 N 2.30 0.00 0.05 3.53 0.02 -1.96 0.63 113.55 118.11 1pkq h SER 84 Ca -0.39 0.00 -0.01 0.00 -0.84 0.00 0.00 61.79 60.55 1pkq h SER 84 Cb 1.24 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 63.78 1pkq h SER 84 CO 0.65 0.11 -0.05 -0.33 -1.14 0.00 0.00 176.83 176.07 1pkq h GLU 85 N 0.00 0.02 -0.11 3.45 5.08 -1.96 0.49 114.58 121.54 1pkq h GLU 85 Ca -0.00 -0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1pkq h GLU 85 Cb 0.20 -0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.45 1pkq h GLU 85 CO 0.01 0.07 0.00 -0.25 -1.00 0.00 0.00 179.01 177.85 1pkq n ASP 86 N -4.47 0.11 -4.51 1.42 10.43 0.22 -4.66 116.55 115.10 1pkq n ASP 86 Ca -0.03 -1.83 -0.43 0.00 2.57 0.00 0.00 54.79 55.07 1pkq n ASP 86 Cb 0.14 -0.06 -0.07 0.00 1.84 0.00 0.00 41.12 42.97 1pkq n ASP 86 CO 0.00 0.00 0.00 -0.44 -1.07 0.00 0.00 177.20 175.69 1pkq s SER 87 N -0.96 6.30 0.01 -2.24 0.01 0.17 -4.71 113.70 112.28 1pkq s SER 87 Ca 0.00 -0.42 -0.08 0.00 1.31 0.00 0.00 55.95 56.77 1pkq s SER 87 Cb 0.00 -2.31 0.03 0.00 0.21 0.00 0.00 66.02 63.95 1pkq s SER 87 CO 0.00 -0.76 0.35 0.00 0.41 0.00 0.00 173.24 173.24 1pkq n ALA 88 N 6.18 -0.97 -2.68 1.44 0.00 0.84 -4.83 120.51 120.48 1pkq n ALA 88 Ca -0.03 -0.25 -0.41 0.00 0.00 0.00 0.00 53.44 52.76 1pkq n ALA 88 Cb 0.48 0.08 -0.11 0.00 0.00 0.00 0.00 19.45 19.89 1pkq n ALA 88 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1pkq s VAL 89 N -2.20 4.88 -0.12 0.00 1.01 -0.34 -0.84 120.40 122.79 1pkq s VAL 89 Ca 0.08 -0.64 -0.14 0.00 0.00 0.00 0.00 61.98 61.28 1pkq s VAL 89 Cb -0.00 -3.65 -0.05 0.00 0.00 0.00 0.00 36.38 32.67 1pkq s VAL 89 CO 0.00 -0.18 0.31 -0.31 0.00 0.00 0.00 175.10 174.92 1pkq s TYR 90 N 1.62 3.53 0.42 5.22 1.51 -0.86 -1.95 117.35 126.85 1pkq s TYR 90 Ca 0.04 0.69 0.07 0.00 -1.01 0.00 0.00 57.07 56.85 1pkq s TYR 90 Cb -0.19 -2.30 -0.05 0.00 -0.11 0.00 0.00 41.96 39.32 1pkq s TYR 90 CO 0.08 0.37 0.19 0.71 -1.11 0.00 0.00 175.55 175.79 1pkq s TYR 91 N 0.01 2.53 -0.02 2.71 1.51 1.00 -2.63 117.35 122.45 1pkq s TYR 91 Ca 0.18 -0.61 -0.01 0.00 -1.01 0.00 0.00 57.07 55.62 1pkq s TYR 91 Cb -0.14 -1.95 0.02 0.00 -0.11 0.00 0.00 41.96 39.79 1pkq s TYR 91 CO 0.06 0.15 0.05 0.00 -1.11 0.00 0.00 175.55 174.70 1pkq s ALA 93 N 0.74 1.43 0.33 0.00 0.00 0.13 -2.02 121.76 122.37 1pkq s ALA 93 Ca -0.06 -1.25 0.05 0.00 0.00 0.00 0.00 51.96 50.70 1pkq s ALA 93 Cb -0.09 -0.07 -0.03 0.00 0.00 0.00 0.00 23.12 22.93 1pkq s ALA 93 CO -0.02 0.10 0.19 -0.08 0.00 0.00 0.00 175.76 175.95 1pkq s THR 94 N -2.03 0.26 0.00 0.00 -1.32 -0.68 0.18 115.64 112.04 1pkq s THR 94 Ca 0.07 -2.00 0.00 0.00 -1.21 0.00 0.00 61.69 58.55 1pkq s THR 94 Cb -0.05 -2.47 0.00 0.00 -1.51 0.00 0.00 72.50 68.47 1pkq s THR 94 CO 0.03 0.00 0.00 0.61 -2.21 0.00 0.00 174.62 173.05 1pkq n GLY 95 N -0.66 4.17 0.00 6.08 0.00 -1.26 -2.61 105.19 110.92 1pkq n GLY 95 Ca 0.02 -0.90 0.00 0.00 0.00 0.00 0.00 46.02 45.14 1pkq n GLY 95 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1pkq n ASN 96 N 0.00 0.00 0.33 1.61 2.04 0.16 -4.94 115.26 114.45 1pkq n ASN 96 Ca 0.00 -0.74 0.22 0.00 -0.44 0.00 0.00 54.58 53.62 1pkq n ASN 96 Cb 0.00 0.00 1.11 0.00 -2.53 0.00 0.00 39.78 38.36 1pkq n ASN 96 CO 0.00 0.00 0.00 0.74 -0.44 0.00 0.00 177.26 177.56 1pkq h THR 97 N 0.74 0.00 0.00 5.53 2.02 -2.03 -3.13 112.91 116.04 1pkq h THR 97 Ca 0.00 -0.11 0.00 0.00 0.77 0.00 0.00 66.41 67.07 1pkq h THR 97 Cb 0.00 1.11 0.00 0.00 -1.74 0.00 0.00 68.15 67.52 1pkq h THR 97 CO 0.00 0.00 -0.41 0.23 0.37 0.00 0.00 175.52 175.71 1pkq n MET 98 N -3.08 4.45 -3.74 6.66 2.81 -1.26 -5.03 117.12 117.93 1pkq n MET 98 Ca -0.02 -0.01 -0.13 0.00 -1.81 0.00 0.00 57.70 55.73 1pkq n MET 98 Cb 0.12 -0.76 -0.10 0.00 -0.71 0.00 0.00 33.22 31.76 1pkq n MET 98 CO 0.00 0.00 0.00 0.14 1.51 0.00 0.00 175.97 177.62 1pkq s VAL 99 N -1.55 -0.00 -0.21 2.03 -7.23 -1.18 -5.13 120.40 107.12 1pkq s VAL 99 Ca 0.01 0.00 -0.05 0.00 -1.81 0.00 0.00 61.98 60.13 1pkq s VAL 99 Cb 0.02 -0.53 -0.02 0.00 0.56 0.00 0.00 36.38 36.42 1pkq s VAL 99 CO 0.14 0.00 -0.01 0.54 -0.31 0.00 0.00 175.10 175.46 1pkq s ASN 100 N 0.24 4.66 0.00 4.85 4.22 -1.26 0.36 114.94 128.01 1pkq s ASN 100 Ca -0.00 -0.27 0.00 0.00 -2.14 0.00 0.00 52.86 50.44 1pkq s ASN 100 Cb -0.03 -1.80 0.00 0.00 1.28 0.00 0.00 41.25 40.70 1pkq s ASN 100 CO 0.00 0.02 0.00 0.23 -2.04 0.00 0.00 177.10 175.31 1pkq n MET 100 N 4.53 0.00 0.00 3.55 2.81 -1.08 -4.93 117.12 122.00 1pkq n MET 100 Ca -0.17 0.00 0.11 0.00 -1.81 0.00 0.00 57.70 55.82 1pkq n MET 100 Cb 0.51 -2.12 -0.13 0.00 -0.71 0.00 0.00 33.22 30.77 1pkq n MET 100 CO 0.00 0.00 0.00 -0.35 1.51 0.00 0.00 175.97 177.13 1pkq n PRO 101 N -0.77 0.46 -4.48 0.03 -0.04 -1.07 -4.88 135.00 124.26 1pkq n PRO 101 Ca 0.00 -0.11 -0.33 0.00 -0.04 0.00 0.00 63.50 63.01 1pkq n PRO 101 Cb 0.42 -1.54 -0.14 0.00 -0.04 0.00 0.00 33.50 32.20 1pkq n PRO 101 CO 0.00 0.00 0.00 0.71 -0.04 0.00 0.00 175.50 176.17 1pkq s TYR 102 N -3.36 2.85 -0.01 0.54 2.02 -1.07 -5.04 117.35 113.27 1pkq s TYR 102 Ca -0.03 -0.83 0.05 0.00 -0.37 0.00 0.00 57.07 55.89 1pkq s TYR 102 Cb 0.14 -1.92 -0.01 0.00 -0.40 0.00 0.00 41.96 39.77 1pkq s TYR 102 CO 0.88 -0.36 -0.15 -1.58 -1.57 0.00 0.00 175.55 172.76 1pkq s TRP 103 N 0.75 1.38 0.85 2.71 0.52 -1.26 -1.69 118.94 122.19 1pkq s TRP 103 Ca -0.05 -0.27 -0.14 0.00 0.02 0.00 0.00 56.10 55.66 1pkq s TRP 103 Cb -0.15 -0.89 0.21 0.00 -1.15 0.00 0.00 33.47 31.49 1pkq s TRP 103 CO 0.01 -0.03 0.84 0.41 0.02 0.00 0.00 176.95 178.20 1pkq n GLY 104 N 2.73 -2.37 0.05 0.98 0.00 -0.86 -4.68 105.19 101.04 1pkq n GLY 104 Ca -0.15 -1.54 0.14 0.00 0.00 0.00 0.00 46.02 44.47 1pkq n GLY 104 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1pkq n GLN 105 N -3.70 0.11 -0.67 1.61 0.00 -1.26 -4.88 117.38 108.59 1pkq n GLN 105 Ca 0.11 0.09 0.00 0.00 0.00 0.00 0.00 57.00 57.21 1pkq n GLN 105 Cb 0.42 -1.63 0.00 0.00 0.00 0.00 0.00 30.24 29.03 1pkq n GLN 105 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 1pkq n GLY 106 N 1.42 -3.39 3.26 2.61 0.00 -1.26 -5.02 105.19 102.81 1pkq n GLY 106 Ca 0.06 -1.09 -0.20 0.00 0.00 0.00 0.00 46.02 44.79 1pkq n GLY 106 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1pkq s THR 107 N -4.33 1.50 0.21 2.61 -4.23 -1.08 -4.85 115.64 105.46 1pkq s THR 107 Ca 0.00 -1.69 -0.03 0.00 -1.18 0.00 0.00 61.69 58.79 1pkq s THR 107 Cb 0.00 -1.56 -0.05 0.00 1.34 0.00 0.00 72.50 72.23 1pkq s THR 107 CO 0.00 -0.30 0.43 -0.89 -0.54 0.00 0.00 174.62 173.32 1pkq s THR 108 N -1.83 5.14 -0.13 3.99 2.01 -1.26 -2.02 115.64 121.54 1pkq s THR 108 Ca 0.09 -0.14 -0.06 0.00 0.31 0.00 0.00 61.69 61.89 1pkq s THR 108 Cb -0.07 -3.70 0.06 0.00 0.01 0.00 0.00 72.50 68.80 1pkq s THR 108 CO 0.04 -0.15 0.29 -0.69 -0.69 0.00 0.00 174.62 173.42 1pkq s VAL 109 N -1.87 -0.17 -0.07 3.82 1.01 -0.02 -4.37 120.40 118.73 1pkq s VAL 109 Ca 0.41 0.17 0.03 0.00 0.00 0.00 0.00 61.98 62.59 1pkq s VAL 109 Cb -0.11 -0.45 0.01 0.00 0.00 0.00 0.00 36.38 35.82 1pkq s VAL 109 CO 0.28 0.07 -0.16 -0.89 0.00 0.00 0.00 175.10 174.40 1pkq s THR 110 N 1.66 1.42 -0.16 3.92 2.01 -1.00 -0.11 115.64 123.37 1pkq s THR 110 Ca -0.06 -0.66 -0.12 0.00 0.31 0.00 0.00 61.69 61.16 1pkq s THR 110 Cb -0.11 -1.26 -0.05 0.00 0.01 0.00 0.00 72.50 71.10 1pkq s THR 110 CO -0.09 0.42 0.23 -0.69 -0.69 0.00 0.00 174.62 173.79 1pkq s VAL 111 N 0.49 5.35 -0.30 3.82 1.01 -1.26 -2.23 120.40 127.28 1pkq s VAL 111 Ca -0.14 0.40 -0.22 0.00 0.00 0.00 0.00 61.98 62.02 1pkq s VAL 111 Cb -0.16 -3.56 0.19 0.00 0.00 0.00 0.00 36.38 32.85 1pkq s VAL 111 CO 0.05 0.44 1.31 -0.55 0.00 0.00 0.00 175.10 176.35 1pkq s SER 112 N 0.21 -0.14 -0.20 3.32 0.15 -0.31 -4.75 113.70 111.98 1pkq s SER 112 Ca 0.14 0.24 -0.05 0.00 0.70 0.00 0.00 55.95 56.98 1pkq s SER 112 Cb -0.12 0.54 -0.10 0.00 -1.71 0.00 0.00 66.02 64.63 1pkq s SER 112 CO 0.02 -0.04 3.12 -1.20 1.20 0.00 0.00 173.24 176.34 1pkq n SER 113 N 2.24 5.81 -4.28 5.45 7.64 -1.26 -3.92 113.62 125.30 1pkq n SER 113 Ca -0.13 -2.80 -0.18 0.00 1.01 0.00 0.00 58.87 56.77 1pkq n SER 113 Cb 0.57 -1.31 -0.11 0.00 -1.01 0.00 0.00 64.21 62.35 1pkq n SER 113 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1pkq s ALA 114 N -0.30 1.66 0.03 -0.43 0.00 -1.26 -5.08 121.76 116.39 1pkq s ALA 114 Ca 0.58 -1.44 -0.03 0.00 0.00 0.00 0.00 51.96 51.07 1pkq s ALA 114 Cb 0.33 -0.06 -0.04 0.00 0.00 0.00 0.00 23.12 23.34 1pkq s ALA 114 CO -0.09 0.07 0.24 -1.12 0.00 0.00 0.00 175.76 174.85 1pkq s SER 115 N -2.82 6.41 0.34 0.00 0.01 -1.26 -4.96 113.70 111.42 1pkq s SER 115 Ca 0.14 0.40 -0.29 0.00 1.31 0.00 0.00 55.95 57.52 1pkq s SER 115 Cb -0.02 -2.02 -0.11 0.00 0.21 0.00 0.00 66.02 64.08 1pkq s SER 115 CO 0.04 0.21 1.39 0.28 0.41 0.00 0.00 173.24 175.56 1pkq s THR 116 N -1.42 2.47 -0.03 1.44 -1.32 -1.26 -4.86 115.64 110.66 1pkq s THR 116 Ca 0.31 0.46 0.04 0.00 -1.21 0.00 0.00 61.69 61.29 1pkq s THR 116 Cb -0.13 -3.29 -0.00 0.00 -1.51 0.00 0.00 72.50 67.56 1pkq s THR 116 CO 0.22 0.11 -0.14 -0.54 -2.21 0.00 0.00 174.62 172.06 1pkq s LYS 117 N -1.76 1.33 0.13 7.08 1.02 -0.28 -4.95 119.74 122.30 1pkq s LYS 117 Ca 0.51 -0.48 -0.28 0.00 0.02 0.00 0.00 55.97 55.74 1pkq s LYS 117 Cb -0.42 -1.21 -0.07 0.00 -0.52 0.00 0.00 37.83 35.61 1pkq s LYS 117 CO 0.56 0.22 0.88 0.20 -0.92 0.00 0.00 175.35 176.29 1pkq s GLY 118 N -0.03 2.96 0.97 -3.33 0.00 -1.26 -2.94 107.32 103.68 1pkq s GLY 118 Ca -0.01 0.47 -0.11 0.00 0.00 0.00 0.00 44.72 45.08 1pkq s GLY 118 CO 0.01 1.22 1.09 -4.14 0.00 0.00 0.00 173.10 171.28 1pkq s PRO 119 N -0.40 0.66 -0.04 2.90 0.02 -1.26 -4.65 135.00 132.23 1pkq s PRO 119 Ca 0.42 1.08 0.07 0.00 0.02 0.00 0.00 61.00 62.58 1pkq s PRO 119 Cb -0.23 -1.72 -0.01 0.00 0.02 0.00 0.00 34.50 32.56 1pkq s PRO 119 CO 0.28 -2.72 -0.24 0.45 -0.33 0.00 0.00 177.00 174.44 1pkq s SER 120 N -2.94 2.88 -0.27 2.53 0.15 -0.22 -4.94 113.70 110.88 1pkq s SER 120 Ca 0.66 -0.46 0.03 0.00 0.70 0.00 0.00 55.95 56.87 1pkq s SER 120 Cb -0.21 -0.58 0.07 0.00 -1.71 0.00 0.00 66.02 63.58 1pkq s SER 120 CO 0.59 0.26 -0.08 -0.69 1.20 0.00 0.00 173.24 174.52 1pkq s VAL 121 N -0.32 2.15 -0.32 4.45 1.01 -1.26 -0.23 120.40 125.87 1pkq s VAL 121 Ca 0.02 -1.73 -0.05 0.00 0.00 0.00 0.00 61.98 60.21 1pkq s VAL 121 Cb -0.12 -2.32 0.03 0.00 0.00 0.00 0.00 36.38 33.98 1pkq s VAL 121 CO 0.01 -0.13 0.07 -0.36 0.00 0.00 0.00 175.10 174.70 1pkq s PHE 122 N 1.08 3.22 0.50 5.22 0.08 -0.54 -4.91 117.98 122.64 1pkq s PHE 122 Ca -0.06 -1.43 -0.22 0.00 0.12 0.00 0.00 56.93 55.35 1pkq s PHE 122 Cb -0.20 -2.23 -0.08 0.00 -0.57 0.00 0.00 43.02 39.94 1pkq s PHE 122 CO -0.06 -0.71 0.97 -2.30 -0.10 0.00 0.00 175.22 173.02 1pkq n PRO 123 N 4.78 1.16 -3.67 0.24 -0.02 -1.26 -1.50 135.00 134.73 1pkq n PRO 123 Ca -0.13 0.43 -0.38 0.00 -2.02 0.00 0.00 63.50 61.39 1pkq n PRO 123 Cb 0.45 -2.09 -0.10 0.00 -0.02 0.00 0.00 33.50 31.75 1pkq n PRO 123 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 1pkq s LEU 124 N -1.05 5.47 0.16 2.45 1.43 0.35 -4.82 118.68 122.67 1pkq s LEU 124 Ca 0.68 -2.19 -0.31 0.00 -1.03 0.00 0.00 54.13 51.28 1pkq s LEU 124 Cb -0.49 -1.91 -0.09 0.00 0.03 0.00 0.00 46.19 43.72 1pkq s LEU 124 CO 0.53 -0.56 1.49 0.00 0.23 0.00 0.00 176.35 178.04 1pkq s ALA 125 N 0.93 3.70 0.71 4.21 0.00 -1.26 -1.68 121.76 128.36 1pkq s ALA 125 Ca 0.10 1.28 -0.15 0.00 0.00 0.00 0.00 51.96 53.19 1pkq s ALA 125 Cb -0.23 -3.58 0.03 0.00 0.00 0.00 0.00 23.12 19.34 1pkq s ALA 125 CO -0.03 -0.72 1.20 -2.14 0.00 0.00 0.00 175.76 174.07 1pkq s PRO 126 N 0.89 2.26 0.00 0.00 0.02 -1.26 -4.87 135.00 132.04 1pkq s PRO 126 Ca 0.67 1.72 0.00 0.00 0.02 0.00 0.00 61.00 63.40 1pkq s PRO 126 Cb -0.41 -1.85 0.00 0.00 0.02 0.00 0.00 34.50 32.25 1pkq s PRO 126 CO 0.33 -1.73 0.00 -1.13 -0.33 0.00 0.00 177.00 174.14 1pkq n SER 127 N -2.62 0.00 0.09 2.53 3.41 -1.26 -4.47 113.62 111.29 1pkq n SER 127 Ca 0.13 -0.90 -0.12 0.00 -0.26 0.00 0.00 58.87 57.72 1pkq n SER 127 Cb 0.50 0.00 -0.08 0.00 -0.26 0.00 0.00 64.21 64.38 1pkq n SER 127 CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 175.04 175.16 1pkq h SER 128 N 0.00 0.36 -0.09 4.04 0.02 -1.94 0.21 113.55 116.15 1pkq h SER 128 Ca 0.00 -0.33 0.00 0.00 -0.84 0.00 0.00 61.79 60.62 1pkq h SER 128 Cb 0.00 -0.11 0.00 0.00 0.14 0.00 0.00 62.40 62.43 1pkq h SER 128 CO 0.00 1.19 0.00 0.29 -1.14 0.00 0.00 176.83 177.17 1pkq n LYS 129 N -3.60 1.33 0.00 3.45 4.76 -1.26 -2.68 118.16 120.15 1pkq n LYS 129 Ca -0.06 -0.50 0.00 0.00 -2.87 0.00 0.00 58.31 54.88 1pkq n LYS 129 Cb 0.91 -1.29 0.00 0.00 -1.84 0.00 0.00 35.03 32.81 1pkq n LYS 129 CO 0.00 0.00 0.00 0.45 -1.37 0.00 0.00 177.40 176.48 1pkq n SER 130 N -0.24 0.23 -4.74 4.39 2.88 -0.99 -5.02 113.62 110.13 1pkq n SER 130 Ca 0.13 -0.57 -0.36 0.00 -1.33 0.00 0.00 58.87 56.74 1pkq n SER 130 Cb 0.17 0.55 -0.07 0.00 -0.75 0.00 0.00 64.21 64.10 1pkq n SER 130 CO 0.00 0.00 0.00 -0.89 -1.23 0.00 0.00 175.04 172.92 1pkq s THR 131 N -0.55 5.37 -0.03 2.46 2.01 0.72 -0.97 115.64 124.65 1pkq s THR 131 Ca 0.00 0.33 -0.00 0.00 0.31 0.00 0.00 61.69 62.33 1pkq s THR 131 Cb 0.00 -3.53 0.03 0.00 0.01 0.00 0.00 72.50 69.01 1pkq s THR 131 CO 0.00 0.43 0.02 -0.44 -0.69 0.00 0.00 174.62 173.94 1pkq s SER 132 N 0.30 0.49 0.95 3.53 0.01 0.79 -4.91 113.70 114.87 1pkq s SER 132 Ca 0.12 0.01 0.00 0.00 1.31 0.00 0.00 55.95 57.39 1pkq s SER 132 Cb -0.12 -0.16 0.00 0.00 0.21 0.00 0.00 66.02 65.95 1pkq s SER 132 CO 0.01 -0.14 0.00 0.61 0.41 0.00 0.00 173.24 174.12 1pkq n GLY 133 N 4.43 1.01 1.28 3.44 0.00 -1.26 -1.26 105.19 112.83 1pkq n GLY 133 Ca -0.22 -0.66 -0.03 0.00 0.00 0.00 0.00 46.02 45.12 1pkq n GLY 133 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1pkq n GLY 134 N 0.00 2.54 3.23 -0.02 0.00 -1.26 -4.80 105.19 104.89 1pkq n GLY 134 Ca 0.00 -0.42 -0.31 0.00 0.00 0.00 0.00 46.02 45.29 1pkq n GLY 134 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1pkq s THR 135 N -1.60 1.97 0.08 2.61 2.01 -0.39 -0.41 115.64 119.92 1pkq s THR 135 Ca 0.24 -1.00 0.08 0.00 0.31 0.00 0.00 61.69 61.32 1pkq s THR 135 Cb 0.19 -1.68 -0.03 0.00 0.01 0.00 0.00 72.50 70.98 1pkq s THR 135 CO 0.06 0.55 -0.22 0.00 -0.69 0.00 0.00 174.62 174.31 1pkq s ALA 136 N 0.04 1.91 -0.16 7.40 0.00 0.43 -0.15 121.76 131.23 1pkq s ALA 136 Ca -0.09 -1.22 -0.03 0.00 0.00 0.00 0.00 51.96 50.63 1pkq s ALA 136 Cb -0.15 -0.31 -0.02 0.00 0.00 0.00 0.00 23.12 22.64 1pkq s ALA 136 CO 0.05 0.41 -0.07 0.00 0.00 0.00 0.00 175.76 176.15 1pkq s ALA 137 N -1.00 2.84 0.00 0.00 0.00 -0.14 0.12 121.76 123.57 1pkq s ALA 137 Ca 0.08 -0.90 0.00 0.00 0.00 0.00 0.00 51.96 51.15 1pkq s ALA 137 Cb -0.10 -1.46 0.00 0.00 0.00 0.00 0.00 23.12 21.56 1pkq s ALA 137 CO 0.04 0.13 0.00 1.47 0.00 0.00 0.00 175.76 177.39 1pkq n LEU 138 N 3.72 0.00 0.00 0.00 -0.00 -0.86 -4.10 117.00 115.76 1pkq n LEU 138 Ca -0.18 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 55.83 1pkq n LEU 138 Cb 0.52 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.94 1pkq n LEU 138 CO 0.32 0.00 0.00 0.61 -0.00 0.00 0.00 177.39 178.32 1pkq n GLY 139 N 3.68 0.44 3.33 1.47 0.00 -0.68 -2.99 105.19 110.45 1pkq n GLY 139 Ca 0.00 -1.65 -0.18 0.00 0.00 0.00 0.00 46.02 44.19 1pkq n GLY 139 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1pkq s LEU 141 N -3.29 2.90 -0.28 0.00 2.96 -0.56 -0.30 118.68 120.11 1pkq s LEU 141 Ca 0.22 -1.70 -0.24 0.00 -0.22 0.00 0.00 54.13 52.19 1pkq s LEU 141 Cb 0.01 -1.09 -0.00 0.00 0.50 0.00 0.00 46.19 45.61 1pkq s LEU 141 CO 0.06 -0.38 0.82 -0.69 -1.32 0.00 0.00 176.35 174.83 1pkq s VAL 142 N 1.41 4.80 0.10 1.68 1.01 0.40 -1.46 120.40 128.35 1pkq s VAL 142 Ca 0.08 1.40 0.08 0.00 0.00 0.00 0.00 61.98 63.54 1pkq s VAL 142 Cb -0.18 -4.14 -0.04 0.00 0.00 0.00 0.00 36.38 32.02 1pkq s VAL 142 CO -0.18 -0.17 -0.21 -0.75 0.00 0.00 0.00 175.10 173.78 1pkq s LYS 143 N 2.93 1.14 -1.19 2.72 2.20 0.67 0.32 119.74 128.53 1pkq s LYS 143 Ca 0.34 -1.17 -0.10 0.00 -0.36 0.00 0.00 55.97 54.68 1pkq s LYS 143 Cb -0.15 -1.41 -0.02 0.00 -1.51 0.00 0.00 37.83 34.74 1pkq s LYS 143 CO 0.10 0.33 0.76 -0.25 -0.36 0.00 0.00 175.35 175.93 1pkq n ASP 144 N 1.08 -3.95 -4.41 1.43 8.00 -0.61 -1.05 116.55 117.04 1pkq n ASP 144 Ca -0.19 -0.90 -0.25 0.00 0.71 0.00 0.00 54.79 54.16 1pkq n ASP 144 Cb 0.53 -3.89 -0.11 0.00 -0.02 0.00 0.00 41.12 37.63 1pkq n ASP 144 CO 0.00 0.00 0.00 -0.72 -0.39 0.00 0.00 177.20 176.09 1pkq s TYR 145 N -3.55 2.15 -0.27 1.24 -0.85 -1.00 -4.34 117.35 110.74 1pkq s TYR 145 Ca 0.30 -0.39 -0.25 0.00 -0.52 0.00 0.00 57.07 56.21 1pkq s TYR 145 Cb -0.09 -1.04 0.07 0.00 0.38 0.00 0.00 41.96 41.28 1pkq s TYR 145 CO 0.83 0.49 0.72 0.12 -1.52 0.00 0.00 175.55 176.19 1pkq s PHE 146 N -1.97 -0.80 0.36 -3.49 5.36 -1.15 -0.08 117.98 116.22 1pkq s PHE 146 Ca 0.21 1.93 0.01 0.00 -0.96 0.00 0.00 56.93 58.13 1pkq s PHE 146 Cb -0.07 0.28 0.07 0.00 -0.34 0.00 0.00 43.02 42.96 1pkq s PHE 146 CO 0.10 -0.38 0.50 -0.35 -1.46 0.00 0.00 175.22 173.63 1pkq n PRO 147 N 2.73 0.38 -1.00 10.12 -0.04 -1.26 -1.12 135.00 144.80 1pkq n PRO 147 Ca -0.14 -1.49 -0.30 0.00 -0.04 0.00 0.00 63.50 61.54 1pkq n PRO 147 Cb 0.55 -0.29 0.17 0.00 -0.04 0.00 0.00 33.50 33.88 1pkq n PRO 147 CO 0.00 0.00 0.00 -1.21 -0.04 0.00 0.00 175.50 174.25 1pkq s GLU 148 N -3.71 0.77 0.50 0.54 2.02 -1.26 -4.80 118.70 112.76 1pkq s GLU 148 Ca 0.34 0.93 0.06 0.00 0.02 0.00 0.00 54.97 56.32 1pkq s GLU 148 Cb -0.02 -1.74 0.01 0.00 0.10 0.00 0.00 34.13 32.48 1pkq s GLU 148 CO 0.22 -2.60 0.34 -1.25 0.02 0.00 0.00 175.26 171.98 1pkq s PRO 149 N -4.80 2.28 0.05 0.39 0.04 -1.26 -4.90 135.00 126.80 1pkq s PRO 149 Ca 0.65 -1.95 0.05 0.00 0.04 0.00 0.00 61.00 59.79 1pkq s PRO 149 Cb -0.20 -2.08 -0.02 0.00 0.04 0.00 0.00 34.50 32.24 1pkq s PRO 149 CO 0.59 -0.46 -0.14 0.08 0.04 0.00 0.00 177.00 177.10 1pkq s VAL 150 N -2.71 1.12 -0.18 -0.36 1.01 -1.26 -4.57 120.40 113.44 1pkq s VAL 150 Ca 0.35 -1.06 -0.00 0.00 0.00 0.00 0.00 61.98 61.27 1pkq s VAL 150 Cb -0.01 -1.03 0.01 0.00 0.00 0.00 0.00 36.38 35.35 1pkq s VAL 150 CO 0.21 -0.04 -0.15 0.42 0.00 0.00 0.00 175.10 175.54 1pkq s THR 151 N -0.93 2.53 -0.13 3.92 -4.23 0.91 -4.95 115.64 112.76 1pkq s THR 151 Ca 0.01 -0.79 0.02 0.00 -1.18 0.00 0.00 61.69 59.75 1pkq s THR 151 Cb -0.08 -2.09 0.00 0.00 1.34 0.00 0.00 72.50 71.67 1pkq s THR 151 CO 0.01 0.50 -0.20 -0.69 -0.54 0.00 0.00 174.62 173.70 1pkq s VAL 152 N 1.22 2.28 0.23 2.29 1.01 -1.26 -0.70 120.40 125.46 1pkq s VAL 152 Ca 0.02 -0.92 0.02 0.00 0.00 0.00 0.00 61.98 61.10 1pkq s VAL 152 Cb -0.14 -1.91 -0.05 0.00 0.00 0.00 0.00 36.38 34.28 1pkq s VAL 152 CO -0.07 0.54 0.06 -0.94 0.00 0.00 0.00 175.10 174.69 1pkq s SER 153 N 0.60 1.22 -0.16 3.32 1.04 -0.43 -4.93 113.70 114.37 1pkq s SER 153 Ca -0.11 -1.31 0.01 0.00 0.48 0.00 0.00 55.95 55.02 1pkq s SER 153 Cb -0.16 0.14 0.02 0.00 0.10 0.00 0.00 66.02 66.12 1pkq s SER 153 CO 0.03 -0.67 -0.18 0.26 0.98 0.00 0.00 173.24 173.66 1pkq s TRP 154 N -3.71 2.48 -1.51 5.02 0.52 -1.26 0.30 118.94 120.77 1pkq s TRP 154 Ca 0.33 -1.40 0.00 0.00 0.02 0.00 0.00 56.10 55.05 1pkq s TRP 154 Cb 0.07 -1.75 0.00 0.00 -1.15 0.00 0.00 33.47 30.64 1pkq s TRP 154 CO 0.10 -0.71 0.00 0.09 0.02 0.00 0.00 176.95 176.45 1pkq n ASN 155 N 4.59 -4.82 -0.65 2.95 3.02 0.42 -2.09 115.26 118.69 1pkq n ASN 155 Ca -0.19 0.18 -0.08 0.00 -0.03 0.00 0.00 54.58 54.46 1pkq n ASN 155 Cb 0.50 -3.83 -0.04 0.00 -0.61 0.00 0.00 39.78 35.80 1pkq n ASN 155 CO 0.00 0.00 0.00 -0.24 -2.62 0.00 0.00 177.26 174.40 1pkq n SER 156 N -0.80 -5.67 0.00 6.41 2.88 -1.26 -2.12 113.62 113.05 1pkq n SER 156 Ca -0.17 0.21 0.00 0.00 -1.33 0.00 0.00 58.87 57.57 1pkq n SER 156 Cb 0.58 -3.92 0.00 0.00 -0.75 0.00 0.00 64.21 60.13 1pkq n SER 156 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1pkq n GLY 157 N 0.26 1.37 0.02 0.46 0.00 -0.89 -4.97 105.19 101.44 1pkq n GLY 157 Ca -0.08 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.94 1pkq n GLY 157 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1pkq n ALA 158 N 0.00 1.72 -3.59 4.61 0.00 -0.90 -4.42 120.51 117.93 1pkq n ALA 158 Ca 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 53.44 53.32 1pkq n ALA 158 Cb 0.00 -1.00 -0.08 0.00 0.00 0.00 0.00 19.45 18.37 1pkq n ALA 158 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.50 176.33 1pkq s LEU 159 N -0.96 -0.59 0.00 0.00 2.96 -1.16 -4.96 118.68 113.98 1pkq s LEU 159 Ca 0.00 1.34 0.00 0.00 -0.22 0.00 0.00 54.13 55.25 1pkq s LEU 159 Cb 0.00 2.21 0.00 0.00 0.50 0.00 0.00 46.19 48.90 1pkq s LEU 159 CO 0.00 -0.23 0.00 0.35 -1.32 0.00 0.00 176.35 175.15 1pkq n THR 160 N 3.31 0.00 -2.26 3.68 -2.24 -1.26 -4.50 114.28 111.01 1pkq n THR 160 Ca -0.16 0.00 -0.40 0.00 -2.27 0.00 0.00 64.05 61.21 1pkq n THR 160 Cb 0.56 -0.29 -0.03 0.00 -2.10 0.00 0.00 70.33 68.48 1pkq n THR 160 CO 0.00 0.00 0.00 -0.44 -0.57 0.00 0.00 175.07 174.06 1pkq s SER 161 N -3.77 6.90 0.00 3.42 0.01 -1.26 -2.73 113.70 116.28 1pkq s SER 161 Ca 0.00 2.51 0.00 0.00 1.31 0.00 0.00 55.95 59.77 1pkq s SER 161 Cb 0.00 -2.64 0.00 0.00 0.21 0.00 0.00 66.02 63.59 1pkq s SER 161 CO 0.00 -0.42 0.00 0.61 0.41 0.00 0.00 173.24 173.84 1pkq n GLY 162 N 0.91 0.71 3.49 3.44 0.00 -1.26 -4.83 105.19 107.65 1pkq n GLY 162 Ca 0.00 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.59 1pkq n GLY 162 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1pkq s VAL 163 N -2.75 4.80 -0.35 1.61 1.01 -1.11 -3.17 120.40 120.44 1pkq s VAL 163 Ca 0.00 -0.10 -0.10 0.00 0.00 0.00 0.00 61.98 61.78 1pkq s VAL 163 Cb 0.00 -4.27 0.01 0.00 0.00 0.00 0.00 36.38 32.12 1pkq s VAL 163 CO 0.00 -0.73 0.18 -1.00 0.00 0.00 0.00 175.10 173.55 1pkq s HIS 164 N 2.87 3.22 -0.28 5.22 3.76 0.62 -4.99 115.29 125.71 1pkq s HIS 164 Ca 0.21 -0.82 -0.08 0.00 -0.15 0.00 0.00 55.06 54.22 1pkq s HIS 164 Cb -0.16 -2.40 -0.01 0.00 1.11 0.00 0.00 32.58 31.12 1pkq s HIS 164 CO 0.16 -0.57 0.10 0.99 -0.85 0.00 0.00 174.74 174.57 1pkq s THR 165 N 1.57 4.34 0.43 1.30 2.01 -1.26 -0.75 115.64 123.29 1pkq s THR 165 Ca 0.03 -0.34 -0.23 0.00 0.31 0.00 0.00 61.69 61.46 1pkq s THR 165 Cb -0.18 -3.13 -0.09 0.00 0.01 0.00 0.00 72.50 69.11 1pkq s THR 165 CO 0.06 0.20 1.04 -0.36 -0.69 0.00 0.00 174.62 174.88 1pkq s PHE 166 N 1.59 3.17 0.36 4.92 0.40 -0.81 -4.99 117.98 122.63 1pkq s PHE 166 Ca 0.05 1.62 -0.28 0.00 -0.60 0.00 0.00 56.93 57.72 1pkq s PHE 166 Cb -0.16 -3.10 -0.10 0.00 0.51 0.00 0.00 43.02 40.16 1pkq s PHE 166 CO 0.04 -0.69 1.41 -2.14 0.70 0.00 0.00 175.22 174.53 1pkq s PRO 167 N -2.78 4.18 1.10 0.24 0.02 -1.26 -4.71 135.00 131.79 1pkq s PRO 167 Ca 0.61 2.41 -0.16 0.00 0.02 0.00 0.00 61.00 63.88 1pkq s PRO 167 Cb -0.20 -2.98 0.20 0.00 0.02 0.00 0.00 34.50 31.54 1pkq s PRO 167 CO 0.24 -0.41 0.38 0.00 -0.33 0.00 0.00 177.00 176.88 1pkq n ALA 168 N 0.54 -1.93 -3.08 -1.55 0.00 -1.26 -4.92 120.51 108.31 1pkq n ALA 168 Ca 0.01 -1.22 -0.12 0.00 0.00 0.00 0.00 53.44 52.11 1pkq n ALA 168 Cb 0.41 -1.09 -0.07 0.00 0.00 0.00 0.00 19.45 18.69 1pkq n ALA 168 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.50 177.64 1pkq s VAL 169 N -2.11 0.07 -0.42 0.00 -7.23 -0.90 -4.94 120.40 104.87 1pkq s VAL 169 Ca 0.44 -0.59 -0.19 0.00 -1.81 0.00 0.00 61.98 59.83 1pkq s VAL 169 Cb -0.08 -0.89 0.02 0.00 0.56 0.00 0.00 36.38 35.99 1pkq s VAL 169 CO 0.42 -0.33 0.53 -0.22 -0.31 0.00 0.00 175.10 175.19 1pkq s LEU 170 N -1.92 4.68 0.41 1.32 2.96 -1.26 -2.36 118.68 122.51 1pkq s LEU 170 Ca -0.06 -0.50 -0.23 0.00 -0.22 0.00 0.00 54.13 53.12 1pkq s LEU 170 Cb -0.02 -2.54 -0.10 0.00 0.50 0.00 0.00 46.19 44.04 1pkq s LEU 170 CO -0.02 -0.66 1.00 -1.10 -1.32 0.00 0.00 176.35 174.25 1pkq s GLN 171 N 2.44 4.20 0.02 1.98 -0.21 0.06 -4.89 119.66 123.25 1pkq s GLN 171 Ca 0.17 1.34 0.01 0.00 0.02 0.00 0.00 55.36 56.90 1pkq s GLN 171 Cb -0.16 -2.41 0.05 0.00 1.00 0.00 0.00 33.01 31.49 1pkq s GLN 171 CO 0.16 -0.08 0.96 -1.13 -2.12 0.00 0.00 175.29 173.08 1pkq n SER 172 N -0.27 0.02 -0.22 5.90 3.41 -1.26 0.24 113.62 121.45 1pkq n SER 172 Ca 0.06 0.44 0.14 0.00 -0.26 0.00 0.00 58.87 59.25 1pkq n SER 172 Cb 0.51 -0.44 0.68 0.00 -0.26 0.00 0.00 64.21 64.70 1pkq n SER 172 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 1pkq n SER 173 N -1.47 0.69 0.00 4.04 3.41 -1.26 -4.88 113.62 114.15 1pkq n SER 173 Ca -0.00 -1.31 0.00 0.00 -0.26 0.00 0.00 58.87 57.30 1pkq n SER 173 Cb 0.07 -0.01 0.00 0.00 -0.26 0.00 0.00 64.21 64.01 1pkq n SER 173 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1pkq n GLY 174 N 1.04 0.95 3.82 5.00 0.00 0.14 -5.03 105.19 111.11 1pkq n GLY 174 Ca 0.20 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 46.00 1pkq n GLY 174 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1pkq s LEU 175 N 0.00 3.58 0.28 0.99 1.43 -1.24 -4.89 118.68 118.84 1pkq s LEU 175 Ca 0.00 -0.49 -0.03 0.00 -1.03 0.00 0.00 54.13 52.58 1pkq s LEU 175 Cb 0.00 -2.15 -0.05 0.00 0.03 0.00 0.00 46.19 44.02 1pkq s LEU 175 CO 0.00 -0.27 0.52 -0.31 0.23 0.00 0.00 176.35 176.53 1pkq s TYR 176 N -2.29 3.48 0.00 0.29 2.02 0.89 -0.76 117.35 120.99 1pkq s TYR 176 Ca 0.38 0.53 -0.02 0.00 -0.37 0.00 0.00 57.07 57.59 1pkq s TYR 176 Cb -0.06 -2.02 -0.01 0.00 -0.40 0.00 0.00 41.96 39.48 1pkq s TYR 176 CO 0.25 0.20 0.04 0.45 -1.57 0.00 0.00 175.55 174.92 1pkq s SER 177 N -3.32 0.09 -0.14 2.29 0.15 -1.00 -1.57 113.70 110.20 1pkq s SER 177 Ca 0.42 -0.23 -0.23 0.00 0.70 0.00 0.00 55.95 56.61 1pkq s SER 177 Cb -0.11 0.13 0.06 0.00 -1.71 0.00 0.00 66.02 64.39 1pkq s SER 177 CO 0.31 -0.22 0.59 -0.22 1.20 0.00 0.00 173.24 174.89 1pkq s LEU 178 N -0.95 -0.26 -0.04 3.45 0.20 0.15 -2.12 118.68 119.10 1pkq s LEU 178 Ca -0.10 0.91 0.07 0.00 0.69 0.00 0.00 54.13 55.69 1pkq s LEU 178 Cb -0.06 2.11 -0.02 0.00 -0.43 0.00 0.00 46.19 47.79 1pkq s LEU 178 CO -0.00 -0.37 -0.25 -0.44 -0.29 0.00 0.00 176.35 175.00 1pkq s SER 179 N -0.38 3.13 -0.27 3.68 0.01 -1.26 0.15 113.70 118.76 1pkq s SER 179 Ca -0.05 -0.47 0.02 0.00 1.31 0.00 0.00 55.95 56.76 1pkq s SER 179 Cb -0.03 -0.58 0.07 0.00 0.21 0.00 0.00 66.02 65.69 1pkq s SER 179 CO 0.04 0.29 -0.04 -0.55 0.41 0.00 0.00 173.24 173.39 1pkq s SER 180 N -0.44 4.31 0.23 2.44 0.15 0.58 -1.92 113.70 119.07 1pkq s SER 180 Ca 0.05 -1.53 0.07 0.00 0.70 0.00 0.00 55.95 55.24 1pkq s SER 180 Cb -0.12 -1.41 -0.04 0.00 -1.71 0.00 0.00 66.02 62.75 1pkq s SER 180 CO 0.01 -0.26 0.18 0.68 1.20 0.00 0.00 173.24 175.04 1pkq s VAL 181 N 1.18 4.42 -0.28 4.45 -7.23 0.07 -0.35 120.40 122.66 1pkq s VAL 181 Ca -0.02 -1.36 -0.13 0.00 -1.81 0.00 0.00 61.98 58.66 1pkq s VAL 181 Cb -0.19 -3.36 0.10 0.00 0.56 0.00 0.00 36.38 33.49 1pkq s VAL 181 CO -0.07 -0.30 0.66 0.54 -0.31 0.00 0.00 175.10 175.62 1pkq s VAL 182 N -2.06 -0.39 0.02 1.32 0.11 -1.16 -0.27 120.40 117.96 1pkq s VAL 182 Ca 0.32 0.00 -0.12 0.00 -2.93 0.00 0.00 61.98 59.26 1pkq s VAL 182 Cb -0.08 -0.99 -0.05 0.00 -1.53 0.00 0.00 36.38 33.73 1pkq s VAL 182 CO 0.24 0.00 0.37 0.42 -3.33 0.00 0.00 175.10 172.80 1pkq s THR 183 N 2.13 5.12 0.22 5.04 -4.23 -1.19 -2.03 115.64 120.70 1pkq s THR 183 Ca -0.08 0.58 -0.07 0.00 -1.18 0.00 0.00 61.69 60.94 1pkq s THR 183 Cb -0.08 -3.64 -0.02 0.00 1.34 0.00 0.00 72.50 70.09 1pkq s THR 183 CO -0.19 0.46 0.30 0.68 -0.54 0.00 0.00 174.62 175.33 1pkq s VAL 184 N -1.21 0.00 0.28 2.29 -7.23 0.32 -4.84 120.40 110.01 1pkq s VAL 184 Ca 0.27 -1.70 -0.30 0.00 -1.81 0.00 0.00 61.98 58.44 1pkq s VAL 184 Cb -0.15 -2.34 -0.11 0.00 0.56 0.00 0.00 36.38 34.34 1pkq s VAL 184 CO 0.14 -0.01 1.60 -2.84 -0.31 0.00 0.00 175.10 173.68 1pkq s PRO 185 N -4.09 4.13 0.36 4.82 0.02 -1.26 0.16 135.00 139.15 1pkq s PRO 185 Ca 0.30 2.56 0.11 0.00 0.02 0.00 0.00 61.00 63.99 1pkq s PRO 185 Cb 0.03 -3.04 0.88 0.00 0.02 0.00 0.00 34.50 32.40 1pkq s PRO 185 CO 0.10 -0.63 1.82 0.77 -0.33 0.00 0.00 177.00 178.73 1pkq h SER 186 N 5.12 0.62 0.60 2.53 0.02 -1.03 -0.22 113.55 121.20 1pkq h SER 186 Ca -0.46 0.07 -0.03 0.00 -0.84 0.00 0.00 61.79 60.52 1pkq h SER 186 Cb 1.22 -0.05 0.01 0.00 0.14 0.00 0.00 62.40 63.71 1pkq h SER 186 CO 0.81 0.25 -0.29 0.28 -1.14 0.00 0.00 176.83 176.74 1pkq h SER 187 N 0.62 -0.68 -0.92 3.07 0.02 -1.89 -3.25 113.55 110.52 1pkq h SER 187 Ca 0.52 0.01 0.13 0.00 -0.84 0.00 0.00 61.79 61.60 1pkq h SER 187 Cb 0.98 0.18 -0.14 0.00 0.14 0.00 0.00 62.40 63.56 1pkq h SER 187 CO -0.27 -0.46 -0.40 -1.54 -1.14 0.00 0.00 176.83 173.02 1pkq n SER 188 N -5.42 -0.68 -0.29 3.07 3.41 -0.11 -1.83 113.62 111.78 1pkq n SER 188 Ca -0.13 1.61 0.28 0.00 -0.26 0.00 0.00 58.87 60.38 1pkq n SER 188 Cb 0.34 -0.34 0.51 0.00 -0.26 0.00 0.00 64.21 64.46 1pkq n SER 188 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 1pkq n LEU 189 N -5.31 0.28 0.22 1.04 4.77 -1.12 -0.48 117.00 116.39 1pkq n LEU 189 Ca 0.08 1.36 0.15 0.00 -0.03 0.00 0.00 56.01 57.57 1pkq n LEU 189 Cb 0.34 -0.67 0.58 0.00 -2.33 0.00 0.00 43.42 41.35 1pkq n LEU 189 CO -0.13 -1.52 0.93 1.23 -1.33 0.00 0.00 177.39 176.57 1pkq h GLY 190 N 0.00 0.00 0.00 -0.72 0.00 -1.55 -3.32 103.07 97.47 1pkq h GLY 190 Ca 0.72 0.00 0.00 0.00 0.00 0.00 0.00 47.33 48.05 1pkq h GLY 190 CO -0.61 0.00 -0.60 2.41 0.00 0.00 0.00 176.54 177.74 1pkq n THR 191 N -2.77 0.00 -2.98 4.70 -1.04 0.37 -5.07 114.28 107.48 1pkq n THR 191 Ca 0.01 -0.08 -0.40 0.00 -2.04 0.00 0.00 64.05 61.54 1pkq n THR 191 Cb 0.30 0.52 -0.04 0.00 -1.82 0.00 0.00 70.33 69.28 1pkq n THR 191 CO 0.00 0.00 0.00 -1.58 -0.64 0.00 0.00 175.07 172.85 1pkq s GLN 192 N -1.37 4.44 -0.85 -2.82 2.00 -0.19 -5.02 119.66 115.86 1pkq s GLN 192 Ca 0.00 0.97 -0.22 0.00 -2.00 0.00 0.00 55.36 54.11 1pkq s GLN 192 Cb 0.00 -3.46 0.08 0.00 0.80 0.00 0.00 33.01 30.42 1pkq s GLN 192 CO 0.00 0.01 1.20 -0.08 -0.50 0.00 0.00 175.29 175.91 1pkq s THR 193 N 0.97 4.23 -0.71 -0.34 -1.32 -1.26 -4.82 115.64 112.39 1pkq s THR 193 Ca 0.40 -0.69 -0.19 0.00 -1.21 0.00 0.00 61.69 60.00 1pkq s THR 193 Cb -0.18 -4.85 0.12 0.00 -1.51 0.00 0.00 72.50 66.07 1pkq s THR 193 CO 0.19 -1.67 0.85 -0.31 -2.21 0.00 0.00 174.62 171.46 1pkq s TYR 194 N 4.21 3.07 -0.09 9.09 2.02 -1.26 -4.85 117.35 129.53 1pkq s TYR 194 Ca 0.34 -1.12 0.04 0.00 -0.37 0.00 0.00 57.07 55.96 1pkq s TYR 194 Cb -0.07 -4.10 -0.00 0.00 -0.40 0.00 0.00 41.96 37.39 1pkq s TYR 194 CO -0.00 -1.36 -0.24 0.42 -1.57 0.00 0.00 175.55 172.81 1pkq s ILE 195 N 2.59 2.01 -0.23 2.71 1.01 -1.26 -0.83 121.20 127.20 1pkq s ILE 195 Ca 0.19 -1.00 -0.13 0.00 0.00 0.00 0.00 60.65 59.70 1pkq s ILE 195 Cb -0.17 -1.74 -0.04 0.00 0.01 0.00 0.00 42.46 40.52 1pkq s ILE 195 CO 0.01 0.55 0.27 0.00 0.00 0.00 0.00 174.94 175.78 1pkq s ASN 197 N 1.15 6.20 0.02 0.00 0.01 0.88 -2.82 114.94 120.38 1pkq s ASN 197 Ca 0.13 -1.15 -0.15 0.00 -0.71 0.00 0.00 52.86 50.98 1pkq s ASN 197 Cb -0.14 -2.33 -0.06 0.00 0.41 0.00 0.00 41.25 39.13 1pkq s ASN 197 CO 0.07 -1.12 0.43 -0.69 -1.51 0.00 0.00 177.10 174.28 1pkq s VAL 198 N 3.00 4.99 -0.06 1.60 1.01 -0.29 -1.32 120.40 129.34 1pkq s VAL 198 Ca 0.16 0.85 -0.02 0.00 0.00 0.00 0.00 61.98 62.96 1pkq s VAL 198 Cb -0.21 -3.73 0.04 0.00 0.00 0.00 0.00 36.38 32.48 1pkq s VAL 198 CO 0.09 0.54 0.13 0.21 0.00 0.00 0.00 175.10 176.07 1pkq s ASN 199 N -1.17 0.17 -0.43 3.32 3.84 0.12 -1.85 114.94 118.93 1pkq s ASN 199 Ca 0.26 0.26 0.03 0.00 0.21 0.00 0.00 52.86 53.62 1pkq s ASN 199 Cb -0.17 0.15 0.16 0.00 -0.55 0.00 0.00 41.25 40.85 1pkq s ASN 199 CO 0.15 -0.17 0.31 -2.28 -2.79 0.00 0.00 177.10 172.32 1pkq s HIS 200 N 1.46 1.38 0.20 0.43 5.65 -0.11 -0.07 115.29 124.24 1pkq s HIS 200 Ca -0.06 -2.28 -0.11 0.00 0.25 0.00 0.00 55.06 52.86 1pkq s HIS 200 Cb -0.12 -1.23 0.27 0.00 -1.18 0.00 0.00 32.58 30.32 1pkq s HIS 200 CO -0.05 -0.79 1.68 -0.22 -0.65 0.00 0.00 174.74 174.71 1pkq h LYS 201 N 6.07 0.16 0.00 2.88 1.63 -1.81 0.06 116.57 125.57 1pkq h LYS 201 Ca 0.17 -0.01 0.00 0.00 -0.85 0.00 0.00 60.65 59.96 1pkq h LYS 201 Cb 0.91 -0.04 0.00 0.00 -0.60 0.00 0.00 32.23 32.50 1pkq h LYS 201 CO 0.40 0.11 0.00 -2.30 -3.45 0.00 0.00 179.45 174.20 1pkq n PRO 202 N -5.21 0.00 0.00 1.90 -0.02 -1.26 0.28 135.00 130.68 1pkq n PRO 202 Ca 0.08 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.56 1pkq n PRO 202 Cb 0.32 -1.18 0.00 0.00 -0.02 0.00 0.00 33.50 32.62 1pkq n PRO 202 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 1pkq n SER 203 N -0.49 0.00 0.00 2.55 2.88 -0.12 -4.82 113.62 113.62 1pkq n SER 203 Ca 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.54 1pkq n SER 203 Cb 0.00 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.46 1pkq n SER 203 CO 0.00 0.00 0.00 -0.46 -1.23 0.00 0.00 175.04 173.35 1pkq n ASN 204 N 0.00 0.00 -4.72 -3.46 2.04 0.14 -4.96 115.26 104.31 1pkq n ASN 204 Ca 0.00 0.00 -0.42 0.00 -0.44 0.00 0.00 54.58 53.72 1pkq n ASN 204 Cb 0.00 0.00 -0.03 0.00 -2.53 0.00 0.00 39.78 37.22 1pkq n ASN 204 CO 0.00 0.00 0.00 0.41 -0.44 0.00 0.00 177.26 177.23 1pkq n THR 205 N -2.00 0.23 -3.31 5.53 -1.04 -1.07 -4.86 114.28 107.76 1pkq n THR 205 Ca 0.00 -0.06 -0.24 0.00 -2.04 0.00 0.00 64.05 61.71 1pkq n THR 205 Cb 0.00 -1.93 -0.09 0.00 -1.82 0.00 0.00 70.33 66.50 1pkq n THR 205 CO 0.00 0.00 0.00 -0.54 -0.64 0.00 0.00 175.07 173.89 1pkq s LYS 206 N 0.77 0.92 0.04 -2.82 -0.14 -1.26 -0.93 119.74 116.31 1pkq s LYS 206 Ca 0.73 -1.97 -0.10 0.00 -1.36 0.00 0.00 55.97 53.27 1pkq s LYS 206 Cb -0.52 -1.24 -0.05 0.00 -1.68 0.00 0.00 37.83 34.33 1pkq s LYS 206 CO 0.36 -1.38 0.36 0.08 -0.76 0.00 0.00 175.35 174.02 1pkq s VAL 207 N 0.17 5.14 -0.33 3.17 1.01 -0.77 -4.94 120.40 123.85 1pkq s VAL 207 Ca 0.33 0.46 0.02 0.00 0.00 0.00 0.00 61.98 62.78 1pkq s VAL 207 Cb 0.03 -3.63 0.10 0.00 0.00 0.00 0.00 36.38 32.88 1pkq s VAL 207 CO -0.18 0.38 0.06 -1.81 0.00 0.00 0.00 175.10 173.55 1pkq s ASP 208 N -1.58 4.48 -0.29 3.32 1.01 -1.26 -1.13 116.67 121.22 1pkq s ASP 208 Ca 0.29 -1.94 -0.09 0.00 0.71 0.00 0.00 52.55 51.52 1pkq s ASP 208 Cb -0.14 -1.34 -0.02 0.00 1.01 0.00 0.00 42.92 42.43 1pkq s ASP 208 CO 0.16 -0.39 0.13 -0.75 0.21 0.00 0.00 175.17 174.53 1pkq s LYS 209 N 1.17 3.48 -0.07 8.23 2.47 -1.13 -4.97 119.74 128.93 1pkq s LYS 209 Ca 0.10 -0.61 -0.29 0.00 -1.56 0.00 0.00 55.97 53.61 1pkq s LYS 209 Cb -0.18 -3.49 -0.02 0.00 -1.46 0.00 0.00 37.83 32.67 1pkq s LYS 209 CO -0.14 -0.32 0.94 -1.59 0.16 0.00 0.00 175.35 174.40 1pkq s LYS 210 N 1.62 4.46 -0.45 4.03 -2.85 -1.26 -2.10 119.74 123.19 1pkq s LYS 210 Ca 0.05 1.30 -0.07 0.00 -1.00 0.00 0.00 55.97 56.26 1pkq s LYS 210 Cb -0.16 -3.51 0.12 0.00 -2.06 0.00 0.00 37.83 32.22 1pkq s LYS 210 CO 0.06 -0.18 0.29 0.08 0.10 0.00 0.00 175.35 175.70 1pkq s VAL 211 N 1.55 3.84 0.30 1.79 1.01 -0.01 -4.98 120.40 123.89 1pkq s VAL 211 Ca 0.47 -1.91 0.09 0.00 0.00 0.00 0.00 61.98 60.64 1pkq s VAL 211 Cb -0.19 -3.57 -0.06 0.00 0.00 0.00 0.00 36.38 32.57 1pkq s VAL 211 CO 0.21 -0.75 -0.12 -1.83 0.00 0.00 0.00 175.10 172.61 1pkq s GLU 212 N 1.26 1.69 0.15 2.72 4.04 -1.26 -4.68 118.70 122.62 1pkq s GLU 212 Ca 0.07 -1.84 -0.27 0.00 0.04 0.00 0.00 54.97 52.97 1pkq s GLU 212 Cb -0.25 -1.57 -0.01 0.00 0.02 0.00 0.00 34.13 32.32 1pkq s GLU 212 CO -0.02 0.18 1.58 -1.35 -1.84 0.00 0.00 175.26 173.81 1pkq h PRO 213 N 2.18 -0.37 0.00 -4.83 0.11 -1.94 -3.42 132.00 123.73 1pkq h PRO 213 Ca -0.41 0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.73 1pkq h PRO 213 Cb 1.25 0.08 0.00 0.00 0.11 0.00 0.00 31.00 32.44 1pkq h PRO 213 CO 0.66 -0.25 0.00 0.36 -0.21 0.00 0.00 178.00 178.57 1pkq n LYS 214 N -5.42 -1.55 -2.43 1.05 0.00 -1.26 -4.80 118.16 103.75 1pkq n LYS 214 Ca -0.02 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.30 1pkq n LYS 214 Cb 0.35 0.00 0.05 0.00 -0.00 0.00 0.00 35.03 35.43 1pkq n LYS 214 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.40 176.27 1pkq n SER 215 N 0.17 0.99 -0.08 -5.58 3.41 -1.26 -5.24 113.62 106.03 1pkq n SER 215 Ca 0.00 -2.04 0.16 0.00 -0.26 0.00 0.00 58.87 56.73 1pkq n SER 215 Cb 0.00 -0.28 0.88 0.00 -0.26 0.00 0.00 64.21 64.56 1pkq n SER 215 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88