#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2pkq s LEU 1 N 0.00 4.23 0.07 -0.35 2.96 -0.30 -5.05 118.68 120.23 2pkq s LEU 1 Ca 0.00 -1.23 -0.31 0.00 -0.22 0.00 0.00 54.13 52.38 2pkq s LEU 1 Cb 0.00 -1.82 -0.08 0.00 0.50 0.00 0.00 46.19 44.80 2pkq s LEU 1 CO 0.00 -0.32 1.51 -0.54 -1.32 0.00 0.00 176.35 175.69 2pkq s LYS 2 N 1.34 4.25 0.14 1.98 1.02 -1.26 -1.69 119.74 125.53 2pkq s LYS 2 Ca -0.02 2.17 0.10 0.00 0.02 0.00 0.00 55.97 58.24 2pkq s LYS 2 Cb -0.20 -3.46 -0.04 0.00 -0.52 0.00 0.00 37.83 33.61 2pkq s LYS 2 CO 0.01 -0.61 -0.23 0.08 -0.92 0.00 0.00 175.35 173.68 2pkq s VAL 3 N 2.05 2.49 -0.09 3.17 1.01 0.17 -2.06 120.40 127.15 2pkq s VAL 3 Ca 0.68 -1.75 0.00 0.00 0.00 0.00 0.00 61.98 60.91 2pkq s VAL 3 Cb -0.37 -2.14 0.02 0.00 0.00 0.00 0.00 36.38 33.89 2pkq s VAL 3 CO 0.30 0.03 -0.07 0.00 0.00 0.00 0.00 175.10 175.36 2pkq s ALA 4 N -1.26 1.13 -0.37 5.51 0.00 0.72 -1.99 121.76 125.50 2pkq s ALA 4 Ca 0.17 -0.38 -0.17 0.00 0.00 0.00 0.00 51.96 51.58 2pkq s ALA 4 Cb -0.10 -0.73 -0.00 0.00 0.00 0.00 0.00 23.12 22.29 2pkq s ALA 4 CO 0.08 -0.23 0.46 0.42 0.00 0.00 0.00 175.76 176.49 2pkq s ILE 5 N 1.37 5.06 -0.29 0.00 1.01 -0.71 -0.45 121.20 127.19 2pkq s ILE 5 Ca -0.02 0.11 -0.05 0.00 0.00 0.00 0.00 60.65 60.69 2pkq s ILE 5 Cb -0.14 -3.95 0.02 0.00 0.01 0.00 0.00 42.46 38.41 2pkq s ILE 5 CO -0.04 -0.24 0.05 0.21 0.00 0.00 0.00 174.94 174.93 2pkq s ASN 6 N 1.78 4.99 0.00 3.58 2.47 -0.99 -0.64 114.94 126.13 2pkq s ASN 6 Ca 0.16 -0.86 0.00 0.00 0.42 0.00 0.00 52.86 52.58 2pkq s ASN 6 Cb -0.16 -1.83 0.00 0.00 -1.45 0.00 0.00 41.25 37.81 2pkq s ASN 6 CO 0.13 -0.21 0.00 0.61 -3.72 0.00 0.00 177.10 173.91 2pkq n GLY 7 N 4.80 0.80 2.43 1.21 0.00 0.51 -0.66 105.19 114.29 2pkq n GLY 7 Ca -0.14 -0.77 -0.15 0.00 0.00 0.00 0.00 46.02 44.95 2pkq n GLY 7 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 2pkq n PHE 8 N 0.00 0.75 -0.52 1.61 7.35 -1.24 -3.80 117.46 121.60 2pkq n PHE 8 Ca 0.00 -1.46 0.00 0.00 -0.76 0.00 0.00 57.45 55.23 2pkq n PHE 8 Cb 0.00 -1.41 0.00 0.00 0.35 0.00 0.00 39.48 38.42 2pkq n PHE 8 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 2pkq n GLY 9 N 3.28 1.59 0.14 7.13 0.00 -1.26 -4.59 105.19 111.48 2pkq n GLY 9 Ca 0.36 -1.73 -0.10 0.00 0.00 0.00 0.00 46.02 44.55 2pkq n GLY 9 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 2pkq h ARG 10 N 0.00 0.38 0.00 1.61 2.47 -1.92 -0.27 114.38 116.65 2pkq h ARG 10 Ca 0.00 -0.05 -0.10 0.00 -1.26 0.00 0.00 59.98 58.58 2pkq h ARG 10 Cb 0.00 -0.07 -0.01 0.00 -1.65 0.00 0.00 29.97 28.23 2pkq h ARG 10 CO 0.00 0.33 -0.47 0.82 0.56 0.00 0.00 179.97 181.22 2pkq h ILE 11 N 0.32 0.91 0.06 2.04 1.08 -1.90 0.33 117.51 120.36 2pkq h ILE 11 Ca 0.10 -1.95 -0.00 0.00 -0.39 0.00 0.00 64.86 62.62 2pkq h ILE 11 Cb 0.07 2.21 0.00 0.00 -3.07 0.00 0.00 36.82 36.03 2pkq h ILE 11 CO -0.02 0.46 -0.03 1.23 -0.69 0.00 0.00 178.15 179.10 2pkq h GLY 12 N 2.78 -0.09 0.58 5.37 0.00 -1.56 -1.84 103.07 108.31 2pkq h GLY 12 Ca -0.00 0.03 -0.10 0.00 0.00 0.00 0.00 47.33 47.26 2pkq h GLY 12 CO 0.06 -0.03 -0.37 3.21 0.00 0.00 0.00 176.54 179.41 2pkq h ARG 13 N -0.26 0.26 -0.57 4.80 3.08 -1.06 -2.17 114.38 118.46 2pkq h ARG 13 Ca -0.01 -0.27 0.17 0.00 0.07 0.00 0.00 59.98 59.94 2pkq h ARG 13 Cb 0.23 0.07 -0.02 0.00 0.08 0.00 0.00 29.97 30.33 2pkq h ARG 13 CO 0.01 0.98 0.49 -0.97 -1.07 0.00 0.00 179.97 179.41 2pkq h ASN 14 N -0.34 0.00 0.12 7.04 -0.73 -0.99 -0.96 115.58 119.72 2pkq h ASN 14 Ca -0.04 0.00 -0.01 0.00 1.87 0.00 0.00 56.30 58.12 2pkq h ASN 14 Cb 1.10 0.00 0.00 0.00 0.27 0.00 0.00 38.32 39.69 2pkq h ASN 14 CO 0.07 0.00 -0.06 0.15 -0.37 0.00 0.00 177.43 177.23 2pkq h PHE 15 N 0.00 -0.15 -0.78 0.67 3.57 -1.26 -1.52 116.94 117.47 2pkq h PHE 15 Ca 0.27 -0.00 0.18 0.00 3.53 0.00 0.00 57.97 61.95 2pkq h PHE 15 Cb 1.24 0.05 -0.14 0.00 2.79 0.00 0.00 35.95 39.89 2pkq h PHE 15 CO 0.00 0.02 -0.02 1.25 -2.23 0.00 0.00 178.31 177.32 2pkq h LEU 16 N -1.03 -0.42 -0.27 0.59 6.46 -0.63 0.41 115.31 120.41 2pkq h LEU 16 Ca -0.02 0.21 -0.10 0.00 -0.12 0.00 0.00 57.88 57.85 2pkq h LEU 16 Cb 0.23 0.38 -0.00 0.00 -0.73 0.00 0.00 40.66 40.54 2pkq h LEU 16 CO 0.03 -0.21 -0.24 0.03 -0.62 0.00 0.00 178.44 177.43 2pkq h ARG 17 N 0.08 0.64 -0.93 1.25 3.08 -1.34 -1.16 114.38 116.00 2pkq h ARG 17 Ca 0.42 -0.33 0.19 0.00 0.07 0.00 0.00 59.98 60.34 2pkq h ARG 17 Cb 0.75 0.00 -0.08 0.00 0.08 0.00 0.00 29.97 30.72 2pkq h ARG 17 CO -0.71 0.93 0.60 0.00 -1.07 0.00 0.00 179.97 179.72 2pkq h TRP 18 N 0.55 -0.43 -1.53 0.00 7.01 0.09 -3.20 115.95 118.45 2pkq h TRP 18 Ca 0.49 -0.01 0.44 0.00 2.11 0.00 0.00 58.89 61.93 2pkq h TRP 18 Cb 1.03 0.14 -0.06 0.00 -2.10 0.00 0.00 29.16 28.17 2pkq h TRP 18 CO -0.00 -0.09 1.15 1.25 -2.79 0.00 0.00 178.44 177.95 2pkq h HIS 18 N -0.91 0.00 0.00 2.65 2.76 -0.49 0.54 115.15 119.71 2pkq h HIS 18 Ca -0.05 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.12 2pkq h HIS 18 Cb 0.53 0.00 0.00 0.00 1.55 0.00 0.00 27.41 29.49 2pkq h HIS 18 CO 0.03 0.00 -0.19 0.41 -1.30 0.00 0.00 177.93 176.88 2pkq n GLY 19 N -1.83 -1.56 3.81 5.26 0.00 -1.10 -4.87 105.19 104.89 2pkq n GLY 19 Ca 0.34 -0.12 -0.34 0.00 0.00 0.00 0.00 46.02 45.90 2pkq n GLY 19 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2pkq s ARG 20 N -3.09 4.19 -0.25 1.61 1.81 0.19 -5.04 118.95 118.37 2pkq s ARG 20 Ca 0.10 1.23 -0.11 0.00 -1.72 0.00 0.00 55.73 55.23 2pkq s ARG 20 Cb 0.14 -2.28 -0.05 0.00 -0.45 0.00 0.00 34.95 32.31 2pkq s ARG 20 CO 0.62 -0.07 0.17 0.15 -0.68 0.00 0.00 175.30 175.49 2pkq s LYS 21 N -2.97 4.04 -0.71 3.54 -0.14 -1.26 -4.56 119.74 117.67 2pkq s LYS 21 Ca 0.61 -0.28 -0.03 0.00 -1.36 0.00 0.00 55.97 54.91 2pkq s LYS 21 Cb -0.13 -3.57 0.00 0.00 -1.68 0.00 0.00 37.83 32.45 2pkq s LYS 21 CO 0.17 -0.01 0.67 -0.25 -0.76 0.00 0.00 175.35 175.18 2pkq n ASP 22 N 4.51 -7.36 -4.57 2.83 8.00 -1.26 -4.94 116.55 113.76 2pkq n ASP 22 Ca -0.15 -0.13 -0.41 0.00 0.71 0.00 0.00 54.79 54.81 2pkq n ASP 22 Cb 0.52 -4.73 -0.07 0.00 -0.02 0.00 0.00 41.12 36.82 2pkq n ASP 22 CO 0.00 0.00 0.00 -0.55 -0.39 0.00 0.00 177.20 176.26 2pkq s SER 23 N -2.92 6.37 0.33 -2.24 0.15 -1.26 -4.92 113.70 109.21 2pkq s SER 23 Ca 0.04 0.10 0.14 0.00 0.70 0.00 0.00 55.95 56.93 2pkq s SER 23 Cb -0.01 -2.29 0.76 0.00 -1.71 0.00 0.00 66.02 62.77 2pkq s SER 23 CO 0.78 -0.50 1.33 -2.65 1.20 0.00 0.00 173.24 173.40 2pkq n PRO 24 N 5.82 0.10 -3.05 5.44 -0.02 -1.26 -4.50 135.00 137.53 2pkq n PRO 24 Ca -0.03 0.58 -0.30 0.00 -2.02 0.00 0.00 63.50 61.73 2pkq n PRO 24 Cb 0.49 -2.10 -0.03 0.00 -0.02 0.00 0.00 33.50 31.84 2pkq n PRO 24 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 2pkq s LEU 25 N -4.16 3.93 -0.26 2.45 2.01 -1.26 -1.16 118.68 120.23 2pkq s LEU 25 Ca -0.02 1.00 -0.01 0.00 0.01 0.00 0.00 54.13 55.12 2pkq s LEU 25 Cb 0.04 -3.85 0.15 0.00 0.01 0.00 0.00 46.19 42.54 2pkq s LEU 25 CO 0.13 -0.31 0.42 -0.62 1.01 0.00 0.00 176.35 176.98 2pkq s ASP 26 N -3.06 -0.01 0.17 2.29 2.15 -0.68 -4.69 116.67 112.83 2pkq s ASP 26 Ca 0.49 0.17 -0.30 0.00 0.43 0.00 0.00 52.55 53.34 2pkq s ASP 26 Cb -0.10 1.29 -0.07 0.00 -0.30 0.00 0.00 42.92 43.73 2pkq s ASP 26 CO 0.29 -0.31 1.05 -0.69 -0.17 0.00 0.00 175.17 175.35 2pkq s VAL 27 N 2.60 4.03 0.00 1.11 1.01 -1.26 0.43 120.40 128.31 2pkq s VAL 27 Ca 0.13 1.77 0.00 0.00 0.00 0.00 0.00 61.98 63.88 2pkq s VAL 27 Cb -0.14 -4.13 0.00 0.00 0.00 0.00 0.00 36.38 32.11 2pkq s VAL 27 CO -0.20 0.31 0.00 1.33 0.00 0.00 0.00 175.10 176.54 2pkq n VAL 28 N 2.33 0.00 -4.02 2.92 0.24 -0.84 -4.90 118.33 114.06 2pkq n VAL 28 Ca 0.02 0.00 -0.12 0.00 -2.04 0.00 0.00 64.34 62.20 2pkq n VAL 28 Cb 0.47 -0.36 -0.12 0.00 -1.47 0.00 0.00 33.84 32.36 2pkq n VAL 28 CO 0.00 0.00 0.00 0.54 -2.14 0.00 0.00 176.83 175.23 2pkq s VAL 29 N -1.36 0.28 -0.07 3.34 0.11 -1.25 -1.15 120.40 120.32 2pkq s VAL 29 Ca 0.00 -0.70 0.01 0.00 -2.93 0.00 0.00 61.98 58.37 2pkq s VAL 29 Cb 0.00 -0.35 0.02 0.00 -1.53 0.00 0.00 36.38 34.52 2pkq s VAL 29 CO 0.00 -0.27 -0.08 -0.63 -3.33 0.00 0.00 175.10 170.78 2pkq s ILE 30 N -0.96 0.89 -0.18 7.04 1.01 0.25 -1.74 121.20 127.51 2pkq s ILE 30 Ca -0.08 -0.31 0.01 0.00 0.00 0.00 0.00 60.65 60.27 2pkq s ILE 30 Cb -0.07 -0.86 0.02 0.00 0.01 0.00 0.00 42.46 41.56 2pkq s ILE 30 CO -0.00 0.31 -0.20 0.21 0.00 0.00 0.00 174.94 175.26 2pkq s ASN 31 N 0.97 3.13 -0.08 3.58 2.47 0.19 -0.92 114.94 124.28 2pkq s ASN 31 Ca -0.10 -0.65 -0.21 0.00 0.42 0.00 0.00 52.86 52.33 2pkq s ASN 31 Cb -0.15 -1.48 0.05 0.00 -1.45 0.00 0.00 41.25 38.22 2pkq s ASN 31 CO 0.00 0.00 0.49 -0.62 -3.72 0.00 0.00 177.10 173.25 2pkq s ASP 32 N 1.28 -0.44 0.55 -4.21 -1.08 -1.16 -0.36 116.67 111.25 2pkq s ASP 32 Ca 0.05 0.56 0.19 0.00 -0.52 0.00 0.00 52.55 52.83 2pkq s ASP 32 Cb -0.13 0.59 1.05 0.00 -1.46 0.00 0.00 42.92 42.97 2pkq s ASP 32 CO -0.13 -0.43 1.55 0.00 0.52 0.00 0.00 175.17 176.68 2pkq h THR 33 N 3.71 0.00 -3.39 1.71 1.03 -1.93 -3.40 112.91 110.63 2pkq h THR 33 Ca -0.28 0.00 -0.55 0.00 -0.01 0.00 0.00 66.41 65.57 2pkq h THR 33 Cb 1.16 0.43 -0.03 0.00 -1.07 0.00 0.00 68.15 68.64 2pkq h THR 33 CO 0.34 0.00 -0.10 -0.83 -0.01 0.00 0.00 175.52 174.92 2pkq s GLY 34 N -3.40 2.35 1.09 2.99 0.00 -1.26 -5.02 107.32 104.07 2pkq s GLY 34 Ca -0.02 -0.21 -0.14 0.00 0.00 0.00 0.00 44.72 44.35 2pkq s GLY 34 CO 0.18 -0.01 1.08 -0.32 0.00 0.00 0.00 173.10 174.02 2pkq s GLY 36 N -2.09 1.55 0.41 0.20 0.00 -1.26 -4.69 107.32 101.44 2pkq s GLY 36 Ca 0.44 -0.47 0.15 0.00 0.00 0.00 0.00 44.72 44.83 2pkq s GLY 36 CO 0.20 0.23 1.89 -2.08 0.00 0.00 0.00 173.10 173.34 2pkq h VAL 37 N -2.22 0.77 0.34 1.40 2.07 -1.90 -1.28 116.25 115.42 2pkq h VAL 37 Ca -0.54 -0.16 -0.01 0.00 0.82 0.00 0.00 66.70 66.81 2pkq h VAL 37 Cb 1.33 0.26 -0.01 0.00 -1.52 0.00 0.00 31.29 31.35 2pkq h VAL 37 CO 0.52 0.09 -0.28 0.11 0.02 0.00 0.00 177.57 178.03 2pkq h LYS 38 N 0.47 -0.57 -0.86 1.57 1.57 -1.95 -1.51 116.57 115.28 2pkq h LYS 38 Ca 0.41 0.04 0.22 0.00 -1.87 0.00 0.00 60.65 59.45 2pkq h LYS 38 Cb 0.91 0.13 -0.15 0.00 0.08 0.00 0.00 32.23 33.20 2pkq h LYS 38 CO -0.15 -0.38 0.06 1.96 -0.57 0.00 0.00 179.45 180.37 2pkq h GLN 39 N -0.60 0.09 -0.59 3.15 1.08 -1.60 -0.00 115.11 116.64 2pkq h GLN 39 Ca -0.04 -0.01 -0.05 0.00 -1.45 0.00 0.00 58.65 57.10 2pkq h GLN 39 Cb 0.50 -0.02 -0.02 0.00 -0.05 0.00 0.00 27.48 27.88 2pkq h GLN 39 CO -0.00 0.06 0.17 0.00 -0.95 0.00 0.00 178.83 178.11 2pkq h ALA 40 N 1.82 0.78 -1.15 3.87 0.00 -1.12 -2.97 119.26 120.48 2pkq h ALA 40 Ca 0.50 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 55.20 2pkq h ALA 40 Cb 0.97 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 18.53 2pkq h ALA 40 CO -0.75 0.46 0.00 0.45 0.00 0.00 0.00 179.25 179.41 2pkq n SER 41 N -4.39 0.00 -0.02 0.00 2.88 -0.10 -2.47 113.62 109.51 2pkq n SER 41 Ca 0.03 0.75 -0.01 0.00 -1.33 0.00 0.00 58.87 58.32 2pkq n SER 41 Cb 0.22 -0.31 -0.00 0.00 -0.75 0.00 0.00 64.21 63.37 2pkq n SER 41 CO 0.00 0.00 0.00 1.57 -1.23 0.00 0.00 175.04 175.38 2pkq n HIS 42 N -1.42 -0.02 0.23 0.66 -0.00 -0.68 0.10 115.22 114.09 2pkq n HIS 42 Ca 0.00 0.06 0.14 0.00 -0.00 0.00 0.00 57.72 57.92 2pkq n HIS 42 Cb 0.00 -0.33 0.72 0.00 -0.00 0.00 0.00 29.99 30.39 2pkq n HIS 42 CO 0.00 0.00 0.00 -0.07 -0.00 0.00 0.00 176.34 176.27 2pkq h LEU 43 N 0.00 0.00 0.00 0.27 3.38 -1.67 0.60 115.31 117.89 2pkq h LEU 43 Ca 0.01 0.00 -0.24 0.00 0.09 0.00 0.00 57.88 57.74 2pkq h LEU 43 Cb 0.02 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 40.73 2pkq h LEU 43 CO -0.05 0.00 -1.22 0.25 0.09 0.00 0.00 178.44 177.51 2pkq h LEU 44 N 0.00 0.01 0.05 1.67 5.85 -0.01 -3.38 115.31 119.50 2pkq h LEU 44 Ca 0.00 -0.01 -0.16 0.00 0.84 0.00 0.00 57.88 58.55 2pkq h LEU 44 Cb 0.06 -0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.08 2pkq h LEU 44 CO 0.00 1.01 -0.80 0.50 -0.34 0.00 0.00 178.44 178.81 2pkq h LYS 45 N 0.00 0.10 -4.56 1.25 1.63 0.22 -3.41 116.57 111.81 2pkq h LYS 45 Ca -0.10 -0.17 -0.70 0.00 -0.85 0.00 0.00 60.65 58.83 2pkq h LYS 45 Cb 1.85 0.06 -0.29 0.00 -0.60 0.00 0.00 32.23 33.25 2pkq h LYS 45 CO 0.12 1.08 -0.54 0.71 -3.45 0.00 0.00 179.45 177.37 2pkq s TYR 46 N -2.35 3.34 -0.09 1.91 2.02 0.18 0.48 117.35 122.83 2pkq s TYR 46 Ca -0.21 -1.62 0.02 0.00 -0.37 0.00 0.00 57.07 54.88 2pkq s TYR 46 Cb 0.02 -2.69 -0.02 0.00 -0.40 0.00 0.00 41.96 38.87 2pkq s TYR 46 CO 0.70 -0.82 -0.14 0.34 -1.57 0.00 0.00 175.55 174.06 2pkq s ASP 47 N 1.76 3.98 0.00 2.29 3.68 -1.25 -4.44 116.67 122.69 2pkq s ASP 47 Ca 0.02 -0.28 0.28 0.00 2.13 0.00 0.00 52.55 54.69 2pkq s ASP 47 Cb -0.21 -1.28 1.38 0.00 -1.45 0.00 0.00 42.92 41.36 2pkq s ASP 47 CO 0.01 0.24 1.95 -1.20 0.13 0.00 0.00 175.17 176.30 2pkq n SER 48 N 3.02 0.00 -0.00 -0.34 7.64 -1.26 -1.41 113.62 121.27 2pkq n SER 48 Ca -0.18 -0.04 -0.00 0.00 1.01 0.00 0.00 58.87 59.66 2pkq n SER 48 Cb 0.52 -0.31 -0.00 0.00 -1.01 0.00 0.00 64.21 63.41 2pkq n SER 48 CO 0.00 0.00 0.00 -0.38 -3.01 0.00 0.00 175.04 171.65 2pkq n ILE 49 N -1.31 0.04 0.85 0.44 5.41 -1.26 -4.68 119.36 118.85 2pkq n ILE 49 Ca 0.12 -0.02 0.11 0.00 1.00 0.00 0.00 62.75 63.97 2pkq n ILE 49 Cb 0.23 -0.72 0.01 0.00 -0.71 0.00 0.00 39.64 38.46 2pkq n ILE 49 CO 0.00 0.00 0.00 0.18 0.00 0.00 0.00 176.55 176.73 2pkq n LEU 50 N -2.31 0.73 -0.20 1.39 4.77 -1.26 -5.00 117.00 115.12 2pkq n LEU 50 Ca -0.01 -0.23 0.02 0.00 -0.03 0.00 0.00 56.01 55.77 2pkq n LEU 50 Cb 0.51 -0.09 -0.01 0.00 -2.33 0.00 0.00 43.42 41.50 2pkq n LEU 50 CO 0.01 0.16 -0.07 0.61 -1.33 0.00 0.00 177.39 176.76 2pkq n GLY 51 N 1.46 -2.30 3.54 -0.72 0.00 -0.50 -4.85 105.19 101.82 2pkq n GLY 51 Ca 0.04 -1.43 -0.50 0.00 0.00 0.00 0.00 46.02 44.13 2pkq n GLY 51 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 2pkq n THR 52 N -2.59 1.00 -2.49 2.61 -1.04 -1.26 -3.87 114.28 106.65 2pkq n THR 52 Ca -0.01 -0.25 -0.42 0.00 -2.04 0.00 0.00 64.05 61.33 2pkq n THR 52 Cb 0.09 -0.63 -0.03 0.00 -1.82 0.00 0.00 70.33 67.94 2pkq n THR 52 CO 0.00 0.00 0.00 0.12 -0.64 0.00 0.00 175.07 174.55 2pkq s PHE 53 N -0.34 3.37 -1.00 -1.42 5.36 0.18 -4.94 117.98 119.18 2pkq s PHE 53 Ca 0.73 1.33 -0.22 0.00 -0.96 0.00 0.00 56.93 57.81 2pkq s PHE 53 Cb -0.91 -3.37 0.06 0.00 -0.34 0.00 0.00 43.02 38.47 2pkq s PHE 53 CO 0.54 -1.07 1.39 0.34 -1.46 0.00 0.00 175.22 174.96 2pkq s ASP 54 N 1.23 6.52 0.00 6.13 2.15 -1.26 -4.82 116.67 126.62 2pkq s ASP 54 Ca 0.56 -1.55 0.00 0.00 0.43 0.00 0.00 52.55 51.99 2pkq s ASP 54 Cb -0.26 -2.54 0.00 0.00 -0.30 0.00 0.00 42.92 39.83 2pkq s ASP 54 CO 0.25 -1.43 0.00 0.00 -0.17 0.00 0.00 175.17 173.83 2pkq n ALA 55 N 8.45 0.00 -2.57 3.66 0.00 -1.26 -5.11 120.51 123.68 2pkq n ALA 55 Ca 0.31 0.00 -0.43 0.00 0.00 0.00 0.00 53.44 53.33 2pkq n ALA 55 Cb 0.51 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 19.91 2pkq n ALA 55 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 2pkq s ASP 56 N 0.00 6.52 -0.33 0.00 2.15 -1.26 -4.95 116.67 118.79 2pkq s ASP 56 Ca 0.00 0.23 0.02 0.00 0.43 0.00 0.00 52.55 53.23 2pkq s ASP 56 Cb 0.00 -2.41 0.09 0.00 -0.30 0.00 0.00 42.92 40.30 2pkq s ASP 56 CO 0.00 -0.84 0.04 -0.69 -0.17 0.00 0.00 175.17 173.52 2pkq s VAL 57 N 3.28 2.55 0.31 1.11 1.01 -1.26 -1.43 120.40 125.98 2pkq s VAL 57 Ca 0.32 -2.03 0.09 0.00 0.00 0.00 0.00 61.98 60.37 2pkq s VAL 57 Cb -0.12 -2.73 -0.05 0.00 0.00 0.00 0.00 36.38 33.48 2pkq s VAL 57 CO 0.20 -0.44 -0.01 -1.59 0.00 0.00 0.00 175.10 173.25 2pkq s LYS 58 N 1.03 2.10 -1.36 2.72 -2.85 -0.87 -4.94 119.74 115.57 2pkq s LYS 58 Ca 0.04 -1.65 -0.07 0.00 -1.00 0.00 0.00 55.97 53.29 2pkq s LYS 58 Cb -0.20 -1.98 0.10 0.00 -2.06 0.00 0.00 37.83 33.68 2pkq s LYS 58 CO -0.06 0.22 2.35 0.25 0.10 0.00 0.00 175.35 178.21 2pkq n THR 59 N -0.91 4.86 -2.26 3.79 -2.24 -1.26 -0.55 114.28 115.71 2pkq n THR 59 Ca -0.05 -4.06 -0.42 0.00 -2.27 0.00 0.00 64.05 57.26 2pkq n THR 59 Cb 0.61 -2.23 -0.03 0.00 -2.10 0.00 0.00 70.33 66.58 2pkq n THR 59 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2pkq s ALA 60 N -0.20 2.81 0.00 6.98 0.00 -1.24 -4.82 121.76 125.29 2pkq s ALA 60 Ca 0.53 -0.32 0.00 0.00 0.00 0.00 0.00 51.96 52.17 2pkq s ALA 60 Cb 0.16 -4.06 0.00 0.00 0.00 0.00 0.00 23.12 19.22 2pkq s ALA 60 CO -0.07 -2.83 0.00 0.41 0.00 0.00 0.00 175.76 173.28 2pkq n GLY 60 N 5.29 1.03 0.02 0.00 0.00 -1.26 -3.19 105.19 107.10 2pkq n GLY 60 Ca 0.17 -2.16 0.08 0.00 0.00 0.00 0.00 46.02 44.11 2pkq n GLY 60 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2pkq n ASP 61 N 0.00 0.05 -2.64 1.61 8.00 -1.26 -4.43 116.55 117.88 2pkq n ASP 61 Ca 0.00 0.00 -0.06 0.00 0.71 0.00 0.00 54.79 55.44 2pkq n ASP 61 Cb 0.00 1.84 0.04 0.00 -0.02 0.00 0.00 41.12 42.99 2pkq n ASP 61 CO 0.00 0.00 0.00 -1.20 -0.39 0.00 0.00 177.20 175.61 2pkq n SER 62 N -2.32 2.35 -3.67 -2.24 7.64 -1.26 -4.75 113.62 109.36 2pkq n SER 62 Ca -0.08 -2.47 -0.04 0.00 1.01 0.00 0.00 58.87 57.29 2pkq n SER 62 Cb 0.65 -0.45 -0.01 0.00 -1.01 0.00 0.00 64.21 63.38 2pkq n SER 62 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2pkq s ALA 63 N -3.71 -1.78 0.05 -0.43 0.00 -1.25 -0.98 121.76 113.64 2pkq s ALA 63 Ca 0.33 0.47 -0.02 0.00 0.00 0.00 0.00 51.96 52.73 2pkq s ALA 63 Cb 0.35 0.52 -0.03 0.00 0.00 0.00 0.00 23.12 23.96 2pkq s ALA 63 CO -0.02 -0.94 0.01 0.96 0.00 0.00 0.00 175.76 175.77 2pkq s ILE 64 N -3.11 0.18 -0.03 0.00 -4.36 0.10 -3.67 121.20 110.32 2pkq s ILE 64 Ca 0.11 -1.51 0.07 0.00 -0.26 0.00 0.00 60.65 59.05 2pkq s ILE 64 Cb -0.00 -1.22 -0.02 0.00 1.25 0.00 0.00 42.46 42.46 2pkq s ILE 64 CO -0.02 -0.84 -0.23 -0.55 0.24 0.00 0.00 174.94 173.55 2pkq s SER 65 N -2.58 3.32 -0.34 4.36 0.15 0.29 -1.34 113.70 117.55 2pkq s SER 65 Ca 0.02 -0.39 0.00 0.00 0.70 0.00 0.00 55.95 56.28 2pkq s SER 65 Cb 0.04 -0.48 0.11 0.00 -1.71 0.00 0.00 66.02 63.98 2pkq s SER 65 CO -0.08 0.33 0.13 -0.69 1.20 0.00 0.00 173.24 174.12 2pkq s VAL 66 N -0.64 1.15 -1.66 4.45 1.01 -0.64 -2.04 120.40 122.02 2pkq s VAL 66 Ca 0.10 -1.78 0.00 0.00 0.00 0.00 0.00 61.98 60.30 2pkq s VAL 66 Cb -0.10 -1.85 0.00 0.00 0.00 0.00 0.00 36.38 34.43 2pkq s VAL 66 CO -0.01 -0.72 0.00 0.47 0.00 0.00 0.00 175.10 174.84 2pkq n ASP 67 N 4.46 -5.55 0.00 3.32 9.92 -0.51 -2.21 116.55 125.98 2pkq n ASP 67 Ca 0.01 -0.01 0.00 0.00 -0.53 0.00 0.00 54.79 54.27 2pkq n ASP 67 Cb 0.40 -4.60 0.00 0.00 -0.64 0.00 0.00 41.12 36.28 2pkq n ASP 67 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 2pkq n GLY 68 N -1.01 2.97 3.67 0.44 0.00 -1.26 -5.01 105.19 104.99 2pkq n GLY 68 Ca -0.23 -0.79 -0.49 0.00 0.00 0.00 0.00 46.02 44.51 2pkq n GLY 68 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 2pkq n LYS 69 N 0.00 2.04 -3.52 1.61 0.00 -0.94 -4.93 118.16 112.43 2pkq n LYS 69 Ca 0.00 0.74 -0.35 0.00 0.00 0.00 0.00 58.31 58.70 2pkq n LYS 69 Cb 0.00 -2.61 -0.06 0.00 0.00 0.00 0.00 35.03 32.36 2pkq n LYS 69 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.40 177.48 2pkq s VAL 70 N 4.34 5.04 -0.00 3.15 1.01 -1.26 -1.63 120.40 131.04 2pkq s VAL 70 Ca 0.94 0.57 0.00 0.00 0.00 0.00 0.00 61.98 63.50 2pkq s VAL 70 Cb -0.72 -3.67 0.00 0.00 0.00 0.00 0.00 36.38 31.99 2pkq s VAL 70 CO 0.52 0.31 -0.01 -0.63 0.00 0.00 0.00 175.10 175.29 2pkq s ILE 71 N -1.38 0.12 0.18 2.22 1.01 -0.45 -4.85 121.20 118.05 2pkq s ILE 71 Ca 0.33 -0.05 -0.19 0.00 0.00 0.00 0.00 60.65 60.74 2pkq s ILE 71 Cb -0.14 -0.12 -0.08 0.00 0.01 0.00 0.00 42.46 42.13 2pkq s ILE 71 CO 0.18 0.04 0.67 -0.54 0.00 0.00 0.00 174.94 175.29 2pkq s LYS 72 N 0.06 4.21 -0.18 2.79 1.02 -0.30 0.01 119.74 127.34 2pkq s LYS 72 Ca -0.00 0.79 0.01 0.00 0.02 0.00 0.00 55.97 56.79 2pkq s LYS 72 Cb -0.02 -2.96 0.03 0.00 -0.52 0.00 0.00 37.83 34.36 2pkq s LYS 72 CO -0.00 0.45 -0.15 0.08 -0.92 0.00 0.00 175.35 174.81 2pkq s VAL 73 N -1.44 1.80 0.43 3.17 1.01 -0.15 0.87 120.40 126.09 2pkq s VAL 73 Ca 0.40 -0.93 0.02 0.00 0.00 0.00 0.00 61.98 61.47 2pkq s VAL 73 Cb -0.17 -1.74 0.02 0.00 0.00 0.00 0.00 36.38 34.48 2pkq s VAL 73 CO 0.21 0.36 0.13 1.33 0.00 0.00 0.00 175.10 177.13 2pkq n VAL 74 N 4.67 0.00 -3.01 2.92 0.24 -0.10 -4.48 118.33 118.56 2pkq n VAL 74 Ca -0.17 -1.87 -0.00 0.00 -2.04 0.00 0.00 64.34 60.25 2pkq n VAL 74 Cb 0.48 0.19 -0.00 0.00 -1.47 0.00 0.00 33.84 33.04 2pkq n VAL 74 CO 0.00 0.00 0.00 -0.44 -2.14 0.00 0.00 176.83 174.25 2pkq s SER 75 N -3.40 -1.32 -0.15 -1.34 0.01 -1.26 -3.01 113.70 103.23 2pkq s SER 75 Ca 0.10 -0.95 0.00 0.00 1.31 0.00 0.00 55.95 56.41 2pkq s SER 75 Cb -0.01 1.70 0.03 0.00 0.21 0.00 0.00 66.02 67.94 2pkq s SER 75 CO 0.06 -0.11 -0.12 -1.81 0.41 0.00 0.00 173.24 171.67 2pkq s ASP 76 N 1.55 2.70 0.00 2.44 1.01 -1.26 -4.96 116.67 118.15 2pkq s ASP 76 Ca 0.20 -0.52 0.04 0.00 0.71 0.00 0.00 52.55 52.99 2pkq s ASP 76 Cb -0.01 -1.12 0.18 0.00 1.01 0.00 0.00 42.92 42.99 2pkq s ASP 76 CO -0.08 -0.08 1.12 0.54 0.21 0.00 0.00 175.17 176.88 2pkq n ARG 77 N 4.79 0.01 -4.00 8.23 1.74 -1.26 -4.13 116.66 122.04 2pkq n ARG 77 Ca -0.16 0.41 -0.31 0.00 -0.77 0.00 0.00 57.85 57.03 2pkq n ARG 77 Cb 0.49 -1.50 -0.15 0.00 -1.02 0.00 0.00 32.46 30.28 2pkq n ARG 77 CO 0.00 0.00 0.00 1.21 -1.52 0.00 0.00 177.63 177.32 2pkq s ASN 78 N -2.97 3.97 0.18 0.55 3.84 -1.26 -5.05 114.94 114.22 2pkq s ASN 78 Ca 0.02 -1.20 -0.22 0.00 0.21 0.00 0.00 52.86 51.68 2pkq s ASN 78 Cb 0.03 -1.32 0.10 0.00 -0.55 0.00 0.00 41.25 39.51 2pkq s ASN 78 CO 0.08 -0.20 1.58 -0.65 -2.79 0.00 0.00 177.10 175.12 2pkq h PRO 79 N 7.89 -0.17 -0.82 0.43 0.11 -1.89 -2.88 132.00 134.67 2pkq h PRO 79 Ca -0.20 0.01 0.29 0.00 0.11 0.00 0.00 66.00 66.21 2pkq h PRO 79 Cb 1.07 0.04 -0.09 0.00 0.11 0.00 0.00 31.00 32.12 2pkq h PRO 79 CO 0.44 -0.12 0.52 1.33 -0.21 0.00 0.00 178.00 179.96 2pkq n VAL 80 N -5.43 -0.17 -0.02 3.15 0.24 -1.20 0.85 118.33 115.75 2pkq n VAL 80 Ca 0.04 1.14 -0.16 0.00 -2.04 0.00 0.00 64.34 63.32 2pkq n VAL 80 Cb 0.35 -1.87 -0.05 0.00 -1.47 0.00 0.00 33.84 30.81 2pkq n VAL 80 CO 0.00 0.00 0.00 0.78 -2.14 0.00 0.00 176.83 175.47 2pkq h ASN 81 N 0.00 0.88 -1.31 -1.34 4.21 -1.83 -3.35 115.58 112.85 2pkq h ASN 81 Ca 0.54 -0.56 -0.72 0.00 1.21 0.00 0.00 56.30 56.78 2pkq h ASN 81 Cb 1.71 -0.26 0.07 0.00 -1.12 0.00 0.00 38.32 38.72 2pkq h ASN 81 CO -0.32 1.35 0.05 0.18 -1.29 0.00 0.00 177.43 177.40 2pkq n LEU 82 N -3.93 0.34 -2.93 1.61 4.77 0.25 -4.75 117.00 112.35 2pkq n LEU 82 Ca -0.06 1.14 -0.25 0.00 -0.03 0.00 0.00 56.01 56.81 2pkq n LEU 82 Cb 0.72 -1.03 -0.06 0.00 -2.33 0.00 0.00 43.42 40.73 2pkq n LEU 82 CO 0.52 -1.85 2.52 -0.81 -1.33 0.00 0.00 177.39 176.44 2pkq n PRO 83 N 1.60 2.61 -0.15 3.23 -0.04 -1.26 -4.55 135.00 136.45 2pkq n PRO 83 Ca 0.18 -1.58 -0.11 0.00 -0.04 0.00 0.00 63.50 61.96 2pkq n PRO 83 Cb 0.16 -2.44 -0.01 0.00 -0.04 0.00 0.00 33.50 31.17 2pkq n PRO 83 CO 0.00 0.00 0.00 -1.49 -0.04 0.00 0.00 175.50 173.97 2pkq h TRP 84 N 5.03 0.95 -0.30 0.54 -0.00 -1.68 -2.09 115.95 118.40 2pkq h TRP 84 Ca 0.56 -0.21 -0.06 0.00 -0.00 0.00 0.00 58.89 59.18 2pkq h TRP 84 Cb 0.50 -0.23 -0.01 0.00 -0.00 0.00 0.00 29.16 29.42 2pkq h TRP 84 CO 1.84 0.95 -0.05 0.78 -0.00 0.00 0.00 178.44 181.97 2pkq h GLY 85 N 0.67 0.60 1.01 1.49 0.00 0.14 0.35 103.07 107.33 2pkq h GLY 85 Ca 0.11 -0.48 0.05 0.00 0.00 0.00 0.00 47.33 47.01 2pkq h GLY 85 CO 0.04 0.44 0.54 -0.55 0.00 0.00 0.00 176.54 177.01 2pkq h ASP 86 N 0.33 0.84 -0.11 0.19 3.32 -1.77 -1.70 116.42 117.52 2pkq h ASP 86 Ca 0.08 -0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.13 2pkq h ASP 86 Cb 0.51 -0.18 0.00 0.00 0.22 0.00 0.00 39.33 39.88 2pkq h ASP 86 CO 0.02 0.56 0.00 0.23 -1.72 0.00 0.00 179.24 178.33 2pkq n MET 87 N -4.47 1.98 -3.38 3.56 2.81 -0.79 -4.96 117.12 111.87 2pkq n MET 87 Ca 0.11 -1.45 -0.16 0.00 -1.81 0.00 0.00 57.70 54.39 2pkq n MET 87 Cb 0.16 -1.46 0.08 0.00 -0.71 0.00 0.00 33.22 31.29 2pkq n MET 87 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 2pkq n GLY 88 N 1.26 -0.63 3.62 3.03 0.00 -0.49 -4.90 105.19 107.08 2pkq n GLY 88 Ca 0.17 0.26 -0.43 0.00 0.00 0.00 0.00 46.02 46.03 2pkq n GLY 88 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2pkq s ILE 89 N -3.38 3.95 0.03 -0.61 -1.09 0.11 -4.81 121.20 115.41 2pkq s ILE 89 Ca 0.16 1.06 0.03 0.00 -2.23 0.00 0.00 60.65 59.66 2pkq s ILE 89 Cb -0.02 -4.02 -0.25 0.00 -1.58 0.00 0.00 42.46 36.59 2pkq s ILE 89 CO 0.74 -0.47 0.95 0.44 -1.23 0.00 0.00 174.94 175.37 2pkq h ASP 90 N 10.06 0.19 -4.01 3.58 3.45 -1.81 -1.41 116.42 126.47 2pkq h ASP 90 Ca -0.29 -0.26 -0.19 0.00 0.43 0.00 0.00 57.03 56.72 2pkq h ASP 90 Cb 1.12 -0.06 -0.26 0.00 -0.56 0.00 0.00 39.33 39.57 2pkq h ASP 90 CO 1.03 1.22 -0.57 -0.22 -1.57 0.00 0.00 179.24 179.13 2pkq s LEU 91 N -6.72 1.59 -0.10 1.55 2.96 -0.87 -1.68 118.68 115.41 2pkq s LEU 91 Ca -0.05 0.13 0.02 0.00 -0.22 0.00 0.00 54.13 54.02 2pkq s LEU 91 Cb 0.08 0.42 0.01 0.00 0.50 0.00 0.00 46.19 47.21 2pkq s LEU 91 CO 0.84 -0.10 -0.17 -0.69 -1.32 0.00 0.00 176.35 174.91 2pkq s VAL 92 N -0.23 1.57 -0.89 1.68 1.01 -0.35 -0.20 120.40 122.99 2pkq s VAL 92 Ca -0.03 -0.70 -0.16 0.00 0.00 0.00 0.00 61.98 61.08 2pkq s VAL 92 Cb -0.02 -1.41 0.18 0.00 0.00 0.00 0.00 36.38 35.12 2pkq s VAL 92 CO 0.00 0.45 0.95 -0.63 0.00 0.00 0.00 175.10 175.88 2pkq s ILE 93 N 0.79 5.19 -0.95 2.22 -1.09 0.40 0.05 121.20 127.81 2pkq s ILE 93 Ca -0.11 -2.06 -0.24 0.00 -2.23 0.00 0.00 60.65 56.01 2pkq s ILE 93 Cb -0.16 -4.63 -0.04 0.00 -1.58 0.00 0.00 42.46 36.06 2pkq s ILE 93 CO 0.01 -1.27 1.89 -0.70 -1.23 0.00 0.00 174.94 173.65 2pkq s GLU 94 N 1.36 2.68 -0.61 2.79 2.56 0.57 -2.35 118.70 125.70 2pkq s GLU 94 Ca 0.25 -0.50 0.06 0.00 0.00 0.00 0.00 54.97 54.78 2pkq s GLU 94 Cb -0.07 -5.12 0.29 0.00 2.00 0.00 0.00 34.13 31.22 2pkq s GLU 94 CO -0.09 -3.31 0.84 0.41 -0.56 0.00 0.00 175.26 172.55 2pkq n GLY 95 N 6.72 5.15 0.01 -1.50 0.00 0.17 -1.91 105.19 113.83 2pkq n GLY 95 Ca 0.40 -2.77 -0.01 0.00 0.00 0.00 0.00 46.02 43.65 2pkq n GLY 95 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2pkq n THR 96 N 0.36 0.16 -0.53 2.61 -2.24 -1.25 -4.22 114.28 109.18 2pkq n THR 96 Ca 0.30 -0.13 0.00 0.00 -2.27 0.00 0.00 64.05 61.96 2pkq n THR 96 Cb 0.40 -0.47 0.00 0.00 -2.10 0.00 0.00 70.33 68.17 2pkq n THR 96 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2pkq n GLY 97 N 2.62 0.81 0.29 3.38 0.00 -1.26 -4.89 105.19 106.14 2pkq n GLY 97 Ca -0.04 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.86 2pkq n GLY 97 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 2pkq n VAL 98 N -2.00 0.75 -2.75 1.61 0.24 -1.26 -4.82 118.33 110.11 2pkq n VAL 98 Ca 0.00 -0.24 -0.44 0.00 -2.04 0.00 0.00 64.34 61.62 2pkq n VAL 98 Cb 0.00 -1.29 0.00 0.00 -1.47 0.00 0.00 33.84 31.08 2pkq n VAL 98 CO 0.00 0.00 0.00 0.49 -2.14 0.00 0.00 176.83 175.18 2pkq n PHE 99 N -3.21 4.67 0.01 6.34 0.99 -1.26 -4.59 117.46 120.40 2pkq n PHE 99 Ca -0.25 -3.15 0.02 0.00 -0.00 0.00 0.00 57.45 54.06 2pkq n PHE 99 Cb 0.72 -2.31 0.03 0.00 -1.00 0.00 0.00 39.48 36.93 2pkq n PHE 99 CO 0.00 0.00 0.00 1.33 -0.00 0.00 0.00 176.76 178.09 2pkq n VAL 100 N 5.01 0.68 -4.48 -4.37 0.24 -1.26 -4.21 118.33 109.94 2pkq n VAL 100 Ca 0.41 -0.84 -0.24 0.00 -2.04 0.00 0.00 64.34 61.63 2pkq n VAL 100 Cb 0.43 0.68 -0.10 0.00 -1.47 0.00 0.00 33.84 33.38 2pkq n VAL 100 CO 0.00 0.00 0.00 1.51 -2.14 0.00 0.00 176.83 176.20 2pkq s ASP 101 N -0.76 3.38 0.09 -1.34 1.47 -1.26 -0.90 116.67 117.35 2pkq s ASP 101 Ca 0.06 -1.14 -0.18 0.00 1.18 0.00 0.00 52.55 52.46 2pkq s ASP 101 Cb 0.03 -0.28 -0.04 0.00 -0.34 0.00 0.00 42.92 42.29 2pkq s ASP 101 CO 0.04 -0.18 1.32 0.03 0.68 0.00 0.00 175.17 177.06 2pkq h ARG 102 N 2.18 -0.03 -0.39 2.11 2.47 -1.92 -0.51 114.38 118.29 2pkq h ARG 102 Ca -0.41 0.00 0.07 0.00 -1.26 0.00 0.00 59.98 58.39 2pkq h ARG 102 Cb 1.25 0.01 -0.09 0.00 -1.65 0.00 0.00 29.97 29.48 2pkq h ARG 102 CO 0.67 -0.02 -0.37 -0.44 0.56 0.00 0.00 179.97 180.37 2pkq h ASP 103 N -0.03 -1.21 0.41 7.04 5.19 -1.96 -1.62 116.42 124.23 2pkq h ASP 103 Ca 0.09 0.20 -0.02 0.00 -0.62 0.00 0.00 57.03 56.68 2pkq h ASP 103 Cb 0.25 0.55 0.00 0.00 0.18 0.00 0.00 39.33 40.32 2pkq h ASP 103 CO -0.53 -0.34 -0.20 1.23 -3.12 0.00 0.00 179.24 176.28 2pkq h GLY 104 N -0.29 -0.58 -0.06 2.75 0.00 -1.76 -3.12 103.07 100.01 2pkq h GLY 104 Ca 0.16 0.21 0.28 0.00 0.00 0.00 0.00 47.33 47.98 2pkq h GLY 104 CO -0.55 -0.21 0.70 0.00 0.00 0.00 0.00 176.54 176.48 2pkq h ALA 105 N -1.69 2.59 -0.91 3.60 0.00 -1.16 -0.71 119.26 120.98 2pkq h ALA 105 Ca -0.06 0.01 0.06 0.00 0.00 0.00 0.00 54.91 54.93 2pkq h ALA 105 Cb 0.42 0.04 -0.06 0.00 0.00 0.00 0.00 17.79 18.20 2pkq h ALA 105 CO 0.09 -0.93 0.57 0.78 0.00 0.00 0.00 179.25 179.76 2pkq h GLY 106 N 0.21 1.38 0.51 0.00 0.00 -1.23 -2.08 103.07 101.85 2pkq h GLY 106 Ca 0.53 -0.42 0.06 0.00 0.00 0.00 0.00 47.33 47.50 2pkq h GLY 106 CO -0.14 0.29 0.69 0.50 0.00 0.00 0.00 176.54 177.87 2pkq h LYS 107 N 1.04 0.00 -0.13 4.80 1.57 -1.11 1.55 116.57 124.29 2pkq h LYS 107 Ca 0.40 0.00 -0.18 0.00 -1.87 0.00 0.00 60.65 59.00 2pkq h LYS 107 Cb 0.18 0.00 0.01 0.00 0.08 0.00 0.00 32.23 32.49 2pkq h LYS 107 CO -0.18 0.00 -0.61 0.45 -0.57 0.00 0.00 179.45 178.54 2pkq h HIS 108 N 0.00 0.87 -0.61 -1.35 3.86 -1.54 -2.29 115.15 114.09 2pkq h HIS 108 Ca 0.10 -0.38 0.01 0.00 -1.16 0.00 0.00 60.37 58.94 2pkq h HIS 108 Cb 1.47 -0.14 -0.03 0.00 1.06 0.00 0.00 27.41 29.78 2pkq h HIS 108 CO 0.00 1.18 0.40 -0.07 0.86 0.00 0.00 177.93 180.30 2pkq h LEU 109 N 0.31 0.69 -0.37 2.43 3.38 0.21 -1.80 115.31 120.16 2pkq h LEU 109 Ca -0.04 -0.01 0.02 0.00 0.09 0.00 0.00 57.88 57.94 2pkq h LEU 109 Cb 1.25 -0.17 -0.03 0.00 0.09 0.00 0.00 40.66 41.80 2pkq h LEU 109 CO 0.13 0.49 0.20 1.56 0.09 0.00 0.00 178.44 180.91 2pkq h GLN 110 N 0.81 0.40 0.00 1.13 4.20 -1.35 -0.76 115.11 119.53 2pkq h GLN 110 Ca 0.23 -0.02 0.00 0.00 0.06 0.00 0.00 58.65 58.91 2pkq h GLN 110 Cb -0.08 -0.09 0.00 0.00 0.30 0.00 0.00 27.48 27.61 2pkq h GLN 110 CO -0.06 0.26 0.05 0.00 -0.67 0.00 0.00 178.83 178.41 2pkq n ALA 111 N -2.25 1.02 0.00 3.87 0.00 -0.87 -4.70 120.51 117.59 2pkq n ALA 111 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.45 2pkq n ALA 111 Cb 0.07 -0.85 0.00 0.00 0.00 0.00 0.00 19.45 18.67 2pkq n ALA 111 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2pkq n GLY 112 N -1.23 0.78 3.79 0.00 0.00 -0.30 0.15 105.19 108.39 2pkq n GLY 112 Ca 0.00 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.68 2pkq n GLY 112 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2pkq s ALA 113 N -2.00 2.76 -0.18 4.61 0.00 -0.73 -3.55 121.76 122.67 2pkq s ALA 113 Ca 0.00 0.54 -0.11 0.00 0.00 0.00 0.00 51.96 52.40 2pkq s ALA 113 Cb 0.00 -3.26 -0.21 0.00 0.00 0.00 0.00 23.12 19.64 2pkq s ALA 113 CO 0.00 -0.66 0.17 1.63 0.00 0.00 0.00 175.76 176.90 2pkq n LYS 114 N -1.58 0.67 -4.15 0.00 5.02 -0.53 -4.33 118.16 113.26 2pkq n LYS 114 Ca 0.09 0.34 -0.13 0.00 -2.02 0.00 0.00 58.31 56.59 2pkq n LYS 114 Cb 0.52 -1.67 -0.11 0.00 -0.02 0.00 0.00 35.03 33.75 2pkq n LYS 114 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 2pkq s LYS 115 N -2.49 0.78 -0.25 1.97 1.02 -0.68 -4.88 119.74 115.23 2pkq s LYS 115 Ca -0.28 -1.13 -0.01 0.00 0.02 0.00 0.00 55.97 54.57 2pkq s LYS 115 Cb 0.08 -0.41 0.08 0.00 -0.52 0.00 0.00 37.83 37.05 2pkq s LYS 115 CO 0.67 0.05 0.04 0.08 -0.92 0.00 0.00 175.35 175.27 2pkq s VAL 116 N -2.54 0.82 -0.40 3.17 1.01 -0.35 -1.22 120.40 120.90 2pkq s VAL 116 Ca 0.04 -0.99 -0.21 0.00 0.00 0.00 0.00 61.98 60.83 2pkq s VAL 116 Cb -0.02 -1.40 0.01 0.00 0.00 0.00 0.00 36.38 34.97 2pkq s VAL 116 CO -0.01 -0.37 0.64 -0.22 0.00 0.00 0.00 175.10 175.14 2pkq s LEU 117 N 1.69 4.39 -0.37 3.92 0.20 0.11 -2.46 118.68 126.16 2pkq s LEU 117 Ca 0.02 -0.13 -0.24 0.00 0.69 0.00 0.00 54.13 54.47 2pkq s LEU 117 Cb -0.17 -2.75 0.01 0.00 -0.43 0.00 0.00 46.19 42.85 2pkq s LEU 117 CO -0.14 -0.70 0.84 -0.63 -0.29 0.00 0.00 176.35 175.42 2pkq s ILE 118 N 2.77 4.68 0.00 6.68 1.01 0.81 -0.31 121.20 136.84 2pkq s ILE 118 Ca 0.23 0.98 0.00 0.00 0.00 0.00 0.00 60.65 61.86 2pkq s ILE 118 Cb -0.14 -4.26 0.00 0.00 0.01 0.00 0.00 42.46 38.07 2pkq s ILE 118 CO 0.17 -0.48 0.80 0.35 0.00 0.00 0.00 174.94 175.78 2pkq n THR 119 N 5.87 0.80 -3.82 2.92 -2.24 -0.81 -1.91 114.28 115.09 2pkq n THR 119 Ca 0.04 -0.13 -0.08 0.00 -2.27 0.00 0.00 64.05 61.62 2pkq n THR 119 Cb 0.48 -1.00 0.01 0.00 -2.10 0.00 0.00 70.33 67.72 2pkq n THR 119 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2pkq s ALA 120 N 0.66 -0.93 0.52 6.98 0.00 -1.25 -4.93 121.76 122.81 2pkq s ALA 120 Ca 0.00 -0.60 -0.21 0.00 0.00 0.00 0.00 51.96 51.14 2pkq s ALA 120 Cb 0.00 0.71 -0.06 0.00 0.00 0.00 0.00 23.12 23.78 2pkq s ALA 120 CO 0.00 -1.01 1.21 -2.14 0.00 0.00 0.00 175.76 173.83 2pkq s PRO 121 N -2.64 3.38 0.17 0.00 0.02 -1.24 -3.75 135.00 130.95 2pkq s PRO 121 Ca 0.15 1.87 -0.22 0.00 0.02 0.00 0.00 61.00 62.82 2pkq s PRO 121 Cb -0.05 -2.20 -0.08 0.00 0.02 0.00 0.00 34.50 32.19 2pkq s PRO 121 CO 0.10 -0.89 0.72 0.20 -0.33 0.00 0.00 177.00 176.79 2pkq s GLY 122 N -1.38 2.75 -0.29 0.52 0.00 -1.26 -4.96 107.32 102.69 2pkq s GLY 122 Ca 0.70 0.22 -0.12 0.00 0.00 0.00 0.00 44.72 45.51 2pkq s GLY 122 CO 0.36 0.65 0.25 1.25 0.00 0.00 0.00 173.10 175.61 2pkq s LYS 122 N -1.50 3.85 0.21 2.90 2.47 -0.07 -4.89 119.74 122.71 2pkq s LYS 122 Ca 0.38 -0.31 0.00 0.00 -1.56 0.00 0.00 55.97 54.47 2pkq s LYS 122 Cb -0.20 -3.70 0.00 0.00 -1.46 0.00 0.00 37.83 32.48 2pkq s LYS 122 CO 0.23 -0.27 0.00 0.41 0.16 0.00 0.00 175.35 175.87 2pkq n GLY 123 N 4.99 0.80 3.42 5.54 0.00 -1.26 -4.28 105.19 114.40 2pkq n GLY 123 Ca -0.12 -1.64 -0.44 0.00 0.00 0.00 0.00 46.02 43.82 2pkq n GLY 123 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2pkq s ASP 124 N -4.00 6.43 -0.04 1.61 2.15 -1.26 -4.99 116.67 116.56 2pkq s ASP 124 Ca 0.00 -1.74 -0.09 0.00 0.43 0.00 0.00 52.55 51.15 2pkq s ASP 124 Cb 0.00 -2.35 0.01 0.00 -0.30 0.00 0.00 42.92 40.28 2pkq s ASP 124 CO 0.00 -1.10 0.21 -0.63 -0.17 0.00 0.00 175.17 173.48 2pkq s ILE 125 N 2.67 0.04 0.01 4.11 1.01 -1.26 -4.93 121.20 122.85 2pkq s ILE 125 Ca 0.23 -0.33 -0.30 0.00 0.00 0.00 0.00 60.65 60.25 2pkq s ILE 125 Cb -0.13 -0.42 -0.07 0.00 0.01 0.00 0.00 42.46 41.85 2pkq s ILE 125 CO -0.01 -0.18 1.66 -2.84 0.00 0.00 0.00 174.94 173.57 2pkq s PRO 126 N -0.68 4.19 -0.16 2.79 0.02 -1.25 -4.88 135.00 135.03 2pkq s PRO 126 Ca -0.08 2.27 -0.02 0.00 0.02 0.00 0.00 61.00 63.20 2pkq s PRO 126 Cb -0.04 -3.80 -0.01 0.00 0.02 0.00 0.00 34.50 30.66 2pkq s PRO 126 CO 0.01 -0.79 -0.10 0.99 -0.33 0.00 0.00 177.00 176.79 2pkq s THR 127 N 3.35 3.17 -0.01 0.99 2.01 -1.26 -0.83 115.64 123.05 2pkq s THR 127 Ca 0.74 -0.60 0.03 0.00 0.31 0.00 0.00 61.69 62.18 2pkq s THR 127 Cb -0.37 -2.37 -0.01 0.00 0.01 0.00 0.00 72.50 69.77 2pkq s THR 127 CO 0.32 0.49 -0.11 -0.31 -0.69 0.00 0.00 174.62 174.32 2pkq s TYR 128 N 0.75 1.04 -0.42 4.92 2.02 -0.74 -4.76 117.35 120.16 2pkq s TYR 128 Ca -0.04 -0.22 0.04 0.00 -0.37 0.00 0.00 57.07 56.48 2pkq s TYR 128 Cb -0.15 -0.69 0.11 0.00 -0.40 0.00 0.00 41.96 40.84 2pkq s TYR 128 CO 0.02 -0.05 0.15 0.08 -1.57 0.00 0.00 175.55 174.18 2pkq s VAL 129 N -0.13 2.30 -0.39 0.71 1.01 -1.26 -4.13 120.40 118.51 2pkq s VAL 129 Ca 0.02 -2.73 -0.34 0.00 0.00 0.00 0.00 61.98 58.93 2pkq s VAL 129 Cb -0.06 -2.65 -0.15 0.00 0.00 0.00 0.00 36.38 33.52 2pkq s VAL 129 CO -0.00 -0.70 1.63 0.52 0.00 0.00 0.00 175.10 176.55 2pkq n VAL 130 N 3.75 0.00 0.00 2.92 0.31 -1.26 0.13 118.33 124.19 2pkq n VAL 130 Ca 0.04 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.37 2pkq n VAL 130 Cb 0.37 -0.39 0.00 0.00 -0.91 0.00 0.00 33.84 32.92 2pkq n VAL 130 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 2pkq n GLY 131 N 5.62 2.34 0.00 2.92 0.00 -1.26 -4.90 105.19 109.92 2pkq n GLY 131 Ca 0.41 0.00 0.05 0.00 0.00 0.00 0.00 46.02 46.48 2pkq n GLY 131 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 2pkq n VAL 132 N -0.78 0.00 0.00 1.61 0.31 0.36 -4.91 118.33 114.92 2pkq n VAL 132 Ca 0.00 -0.25 0.00 0.00 -0.01 0.00 0.00 64.34 64.08 2pkq n VAL 132 Cb 0.00 0.54 0.00 0.00 -0.91 0.00 0.00 33.84 33.47 2pkq n VAL 132 CO 0.00 0.00 0.00 -0.46 -1.32 0.00 0.00 176.83 175.05 2pkq n ASN 133 N -1.62 0.00 0.08 4.52 2.04 -1.22 -4.88 115.26 114.18 2pkq n ASN 133 Ca -0.00 0.00 0.10 0.00 -0.44 0.00 0.00 54.58 54.24 2pkq n ASN 133 Cb 0.22 0.00 0.43 0.00 -2.53 0.00 0.00 39.78 37.90 2pkq n ASN 133 CO 0.00 0.00 0.00 -1.84 -0.44 0.00 0.00 177.26 174.98 2pkq n GLU 134 N 0.00 0.13 0.14 -3.83 0.00 -1.26 -1.69 120.64 114.13 2pkq n GLU 134 Ca 0.00 0.35 0.13 0.00 0.00 0.00 0.00 57.16 57.64 2pkq n GLU 134 Cb 0.00 -1.73 0.41 0.00 0.00 0.00 0.00 31.44 30.12 2pkq n GLU 134 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.13 178.06 2pkq h GLU 135 N 0.00 0.00 0.00 3.44 5.08 -1.98 -2.66 114.58 118.46 2pkq h GLU 135 Ca 0.00 0.00 -0.03 0.00 -1.00 0.00 0.00 59.36 58.33 2pkq h GLU 135 Cb 0.34 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.59 2pkq h GLU 135 CO 0.00 0.00 -0.16 0.78 -1.00 0.00 0.00 179.01 178.63 2pkq h GLY 136 N 3.74 0.00 -2.00 -3.84 0.00 -1.74 -3.44 103.07 95.79 2pkq h GLY 136 Ca 0.00 0.00 -0.54 0.00 0.00 0.00 0.00 47.33 46.79 2pkq h GLY 136 CO 0.00 0.00 0.46 -0.47 0.00 0.00 0.00 176.54 176.53 2pkq s TYR 137 N -3.87 2.21 -0.15 5.60 5.04 -1.00 -5.05 117.35 120.13 2pkq s TYR 137 Ca -0.01 1.53 -0.13 0.00 -2.44 0.00 0.00 57.07 56.03 2pkq s TYR 137 Cb 0.11 -3.53 0.04 0.00 0.35 0.00 0.00 41.96 38.93 2pkq s TYR 137 CO 0.60 -2.52 0.38 0.95 -1.34 0.00 0.00 175.55 173.63 2pkq s THR 138 N -1.67 -0.00 -0.63 4.34 -4.23 -1.26 -5.02 115.64 107.17 2pkq s THR 138 Ca 0.78 0.01 0.00 0.00 -1.18 0.00 0.00 61.69 61.30 2pkq s THR 138 Cb -0.32 -0.54 0.00 0.00 1.34 0.00 0.00 72.50 72.98 2pkq s THR 138 CO 0.39 0.01 0.74 1.57 -0.54 0.00 0.00 174.62 176.78 2pkq n HIS 139 N 3.07 0.00 -0.00 3.99 -0.00 -1.26 -1.22 115.22 119.80 2pkq n HIS 139 Ca -0.15 0.00 -0.04 0.00 0.46 0.00 0.00 57.72 57.99 2pkq n HIS 139 Cb 0.57 -0.26 0.18 0.00 -0.12 0.00 0.00 29.99 30.36 2pkq n HIS 139 CO 0.00 0.00 0.00 0.00 0.46 0.00 0.00 176.34 176.80 2pkq h ALA 140 N 1.15 1.06 -2.38 1.57 0.00 -1.95 -3.44 119.26 115.29 2pkq h ALA 140 Ca 0.00 -0.35 -0.54 0.00 0.00 0.00 0.00 54.91 54.02 2pkq h ALA 140 Cb 0.38 -0.13 0.01 0.00 0.00 0.00 0.00 17.79 18.05 2pkq h ALA 140 CO 0.00 0.57 0.96 -0.51 0.00 0.00 0.00 179.25 180.27 2pkq s ASP 141 N -6.80 6.70 0.07 0.00 1.01 -0.36 -4.91 116.67 112.39 2pkq s ASP 141 Ca -0.07 2.30 0.22 0.00 0.71 0.00 0.00 52.55 55.70 2pkq s ASP 141 Cb 0.14 -2.56 -0.18 0.00 1.01 0.00 0.00 42.92 41.33 2pkq s ASP 141 CO 0.80 -0.84 0.74 0.35 0.21 0.00 0.00 175.17 176.42 2pkq n THR 142 N 4.89 0.25 -3.66 -1.27 -2.24 -1.26 -4.84 114.28 106.14 2pkq n THR 142 Ca 0.15 -0.50 -0.24 0.00 -2.27 0.00 0.00 64.05 61.19 2pkq n THR 142 Cb 0.42 -0.11 -0.17 0.00 -2.10 0.00 0.00 70.33 68.37 2pkq n THR 142 CO 0.00 0.00 0.00 -0.63 -0.57 0.00 0.00 175.07 173.87 2pkq s ILE 143 N -3.44 0.02 0.10 2.28 1.01 -1.26 -1.21 121.20 118.71 2pkq s ILE 143 Ca -0.04 0.03 0.06 0.00 0.00 0.00 0.00 60.65 60.70 2pkq s ILE 143 Cb 0.12 -0.47 -0.03 0.00 0.01 0.00 0.00 42.46 42.09 2pkq s ILE 143 CO 0.86 -0.06 -0.16 0.27 0.00 0.00 0.00 174.94 175.85 2pkq s ILE 144 N 2.10 1.38 -0.04 2.92 -4.36 -1.03 -3.76 121.20 118.42 2pkq s ILE 144 Ca 0.03 -1.54 0.06 0.00 -0.26 0.00 0.00 60.65 58.94 2pkq s ILE 144 Cb -0.14 -1.39 -0.02 0.00 1.25 0.00 0.00 42.46 42.15 2pkq s ILE 144 CO -0.06 -0.25 -0.20 -0.94 0.24 0.00 0.00 174.94 173.72 2pkq s SER 145 N -2.07 3.51 -0.30 4.36 1.04 -0.01 -0.13 113.70 120.10 2pkq s SER 145 Ca 0.05 -0.35 0.03 0.00 0.48 0.00 0.00 55.95 56.16 2pkq s SER 145 Cb -0.08 -0.64 0.45 0.00 0.10 0.00 0.00 66.02 65.85 2pkq s SER 145 CO 0.03 0.32 1.62 -3.20 0.98 0.00 0.00 173.24 172.99 2pkq n ASN 146 N 2.45 3.51 -0.69 7.02 5.15 -0.80 -1.80 115.26 130.10 2pkq n ASN 146 Ca -0.17 -3.08 0.00 0.00 -0.60 0.00 0.00 54.58 50.73 2pkq n ASN 146 Cb 0.52 -0.73 0.00 0.00 -0.53 0.00 0.00 39.78 39.04 2pkq n ASN 146 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 2pkq n ALA 147 N -0.60 0.00 -2.00 5.20 0.00 -1.25 -4.83 120.51 117.04 2pkq n ALA 147 Ca 0.40 0.00 -0.22 0.00 0.00 0.00 0.00 53.44 53.63 2pkq n ALA 147 Cb 1.29 0.00 0.04 0.00 0.00 0.00 0.00 19.45 20.78 2pkq n ALA 147 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 2pkq s SER 148 N -4.00 5.28 0.30 0.00 1.04 -1.26 -3.58 113.70 111.47 2pkq s SER 148 Ca 0.00 0.05 0.01 0.00 0.48 0.00 0.00 55.95 56.49 2pkq s SER 148 Cb 0.00 -0.94 0.47 0.00 0.10 0.00 0.00 66.02 65.65 2pkq s SER 148 CO 0.00 -1.15 1.84 0.00 0.98 0.00 0.00 173.24 174.90 2pkq h THR 150 N 0.67 0.26 -0.69 0.00 2.02 -1.94 -3.18 112.91 110.05 2pkq h THR 150 Ca 0.14 -0.67 0.15 0.00 0.77 0.00 0.00 66.41 66.81 2pkq h THR 150 Cb 0.33 0.42 -0.11 0.00 -1.74 0.00 0.00 68.15 67.05 2pkq h THR 150 CO 0.01 0.06 0.07 0.74 0.37 0.00 0.00 175.52 176.77 2pkq h THR 151 N -1.06 0.47 0.00 3.16 2.02 -1.84 0.61 112.91 116.28 2pkq h THR 151 Ca -0.05 -0.06 0.00 0.00 0.77 0.00 0.00 66.41 67.07 2pkq h THR 151 Cb 0.50 0.28 0.00 0.00 -1.74 0.00 0.00 68.15 67.19 2pkq h THR 151 CO 0.09 0.03 0.03 -3.20 0.37 0.00 0.00 175.52 172.84 2pkq n ASN 152 N -5.24 0.51 -0.09 4.18 5.15 -0.57 -0.07 115.26 119.13 2pkq n ASN 152 Ca 0.12 0.73 -0.10 0.00 -0.60 0.00 0.00 54.58 54.73 2pkq n ASN 152 Cb 0.42 -0.79 -0.04 0.00 -0.53 0.00 0.00 39.78 38.84 2pkq n ASN 152 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 2pkq h LEU 154 N -1.00 0.85 0.36 0.00 5.85 -0.64 -3.26 115.31 117.46 2pkq h LEU 154 Ca -0.08 0.01 -0.01 0.00 0.84 0.00 0.00 57.88 58.64 2pkq h LEU 154 Cb 0.95 -0.17 -0.01 0.00 0.37 0.00 0.00 40.66 41.81 2pkq h LEU 154 CO -0.05 0.53 -0.30 0.00 -0.34 0.00 0.00 178.44 178.28 2pkq h ALA 155 N 1.53 -1.04 -0.90 1.25 0.00 -0.71 -2.49 119.26 116.90 2pkq h ALA 155 Ca 0.39 -0.13 0.13 0.00 0.00 0.00 0.00 54.91 55.30 2pkq h ALA 155 Cb 0.27 0.49 -0.14 0.00 0.00 0.00 0.00 17.79 18.42 2pkq h ALA 155 CO -0.15 -1.04 -0.37 -2.30 0.00 0.00 0.00 179.25 175.38 2pkq n PRO 156 N -4.20 -0.23 0.00 0.00 -0.02 -1.23 0.21 135.00 129.52 2pkq n PRO 156 Ca -0.08 1.39 0.14 0.00 -2.02 0.00 0.00 63.50 62.93 2pkq n PRO 156 Cb 0.28 -2.06 0.61 0.00 -0.02 0.00 0.00 33.50 32.31 2pkq n PRO 156 CO 0.00 0.00 0.00 1.97 1.98 0.00 0.00 175.50 179.45 2pkq n PHE 157 N -5.31 0.00 0.03 6.00 1.16 -1.23 -2.79 117.46 115.32 2pkq n PHE 157 Ca 0.08 0.00 -0.19 0.00 -1.87 0.00 0.00 57.45 55.47 2pkq n PHE 157 Cb 0.35 -0.42 -0.13 0.00 -1.61 0.00 0.00 39.48 37.67 2pkq n PHE 157 CO 0.00 0.00 0.00 0.28 -1.87 0.00 0.00 176.76 175.17 2pkq h VAL 158 N 0.03 1.48 -0.41 1.97 2.07 0.24 -2.41 116.25 119.22 2pkq h VAL 158 Ca 0.00 -2.36 0.08 0.00 0.82 0.00 0.00 66.70 65.24 2pkq h VAL 158 Cb 0.45 2.97 -0.08 0.00 -1.52 0.00 0.00 31.29 33.12 2pkq h VAL 158 CO 0.00 0.67 -0.10 0.50 0.02 0.00 0.00 177.57 178.66 2pkq h LYS 159 N -0.27 0.00 -0.75 1.57 3.64 -1.02 -0.33 116.57 119.40 2pkq h LYS 159 Ca -0.12 -0.00 0.11 0.00 -1.27 0.00 0.00 60.65 59.37 2pkq h LYS 159 Cb 1.51 -0.00 -0.08 0.00 -0.41 0.00 0.00 32.23 33.26 2pkq h LYS 159 CO 0.14 0.00 0.38 0.28 -2.27 0.00 0.00 179.45 177.98 2pkq h VAL 160 N 0.00 0.82 0.17 2.00 2.07 -1.50 0.44 116.25 120.26 2pkq h VAL 160 Ca 0.20 -0.21 -0.01 0.00 0.82 0.00 0.00 66.70 67.50 2pkq h VAL 160 Cb 0.30 0.15 0.00 0.00 -1.52 0.00 0.00 31.29 30.22 2pkq h VAL 160 CO -0.42 0.11 -0.08 -0.07 0.02 0.00 0.00 177.57 177.13 2pkq h LEU 161 N 0.62 -0.19 -0.59 2.57 3.38 -0.60 -3.16 115.31 117.35 2pkq h LEU 161 Ca 0.38 0.01 0.11 0.00 0.09 0.00 0.00 57.88 58.47 2pkq h LEU 161 Cb 0.43 0.05 -0.11 0.00 0.09 0.00 0.00 40.66 41.12 2pkq h LEU 161 CO -0.29 -0.11 -0.22 -0.78 0.09 0.00 0.00 178.44 177.12 2pkq h ASP 162 N -0.28 -0.79 0.00 -0.43 3.58 -1.11 0.78 116.42 118.18 2pkq h ASP 162 Ca -0.02 0.20 0.00 0.00 0.42 0.00 0.00 57.03 57.62 2pkq h ASP 162 Cb 0.18 0.45 0.00 0.00 1.72 0.00 0.00 39.33 41.68 2pkq h ASP 162 CO 0.04 -0.25 0.00 1.67 -2.88 0.00 0.00 179.24 177.82 2pkq n GLN 163 N -5.43 0.08 0.00 0.28 7.27 0.14 -1.28 117.38 118.44 2pkq n GLN 163 Ca 0.06 0.00 0.00 0.00 0.07 0.00 0.00 57.00 57.13 2pkq n GLN 163 Cb 0.34 -1.18 0.00 0.00 2.41 0.00 0.00 30.24 31.81 2pkq n GLN 163 CO 0.00 0.00 0.00 1.17 0.07 0.00 0.00 177.06 178.30 2pkq n LYS 164 N -0.68 0.00 0.00 3.69 3.00 0.82 -4.94 118.16 120.04 2pkq n LYS 164 Ca 0.01 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.32 2pkq n LYS 164 Cb 0.00 -0.37 0.00 0.00 0.00 0.00 0.00 35.03 34.67 2pkq n LYS 164 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.40 178.59 2pkq n PHE 165 N -0.67 0.00 -1.80 5.64 3.72 0.24 -4.96 117.46 119.63 2pkq n PHE 165 Ca 0.00 0.00 -0.01 0.00 -0.05 0.00 0.00 57.45 57.39 2pkq n PHE 165 Cb 0.00 0.00 -0.01 0.00 -0.94 0.00 0.00 39.48 38.53 2pkq n PHE 165 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2pkq n GLY 166 N 1.27 -3.46 3.65 1.37 0.00 -0.41 -1.53 105.19 106.09 2pkq n GLY 166 Ca 0.00 0.12 -0.43 0.00 0.00 0.00 0.00 46.02 45.72 2pkq n GLY 166 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2pkq s ILE 167 N -0.26 4.12 -0.14 -0.61 1.01 -1.26 -1.99 121.20 122.07 2pkq s ILE 167 Ca -0.05 1.34 -0.19 0.00 0.00 0.00 0.00 60.65 61.75 2pkq s ILE 167 Cb 0.00 -3.91 -0.16 0.00 0.01 0.00 0.00 42.46 38.40 2pkq s ILE 167 CO 0.21 -0.17 0.38 0.40 0.00 0.00 0.00 174.94 175.76 2pkq h ILE 168 N 5.60 1.02 -2.56 2.92 2.04 -0.90 -3.49 117.51 122.14 2pkq h ILE 168 Ca -0.29 -1.86 0.10 0.00 1.00 0.00 0.00 64.86 63.81 2pkq h ILE 168 Cb 1.12 2.02 -0.11 0.00 -0.74 0.00 0.00 36.82 39.10 2pkq h ILE 168 CO 0.98 0.34 0.39 -1.59 0.00 0.00 0.00 178.15 178.27 2pkq s LYS 169 N -2.09 1.17 0.00 2.37 -2.85 -1.23 -4.87 119.74 112.24 2pkq s LYS 169 Ca -0.16 -0.54 0.00 0.00 -1.00 0.00 0.00 55.97 54.27 2pkq s LYS 169 Cb -0.00 0.47 0.00 0.00 -2.06 0.00 0.00 37.83 36.24 2pkq s LYS 169 CO 0.46 -0.52 0.00 0.41 0.10 0.00 0.00 175.35 175.80 2pkq n GLY 170 N -0.37 2.24 3.98 0.59 0.00 -0.07 -0.83 105.19 110.74 2pkq n GLY 170 Ca -0.09 -0.16 -0.20 0.00 0.00 0.00 0.00 46.02 45.57 2pkq n GLY 170 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2pkq s THR 171 N -1.35 2.45 0.01 2.61 -4.23 -0.91 -3.11 115.64 111.11 2pkq s THR 171 Ca 0.00 -1.14 -0.29 0.00 -1.18 0.00 0.00 61.69 59.09 2pkq s THR 171 Cb 0.00 -2.58 0.07 0.00 1.34 0.00 0.00 72.50 71.33 2pkq s THR 171 CO 0.00 0.00 0.66 0.00 -0.54 0.00 0.00 174.62 174.74 2pkq s MET 172 N -4.41 1.12 -0.04 3.99 0.23 -1.14 -1.03 119.30 118.02 2pkq s MET 172 Ca 0.53 0.05 -0.00 0.00 -1.03 0.00 0.00 55.69 55.24 2pkq s MET 172 Cb -0.06 0.52 0.03 0.00 -1.53 0.00 0.00 34.83 33.79 2pkq s MET 172 CO 0.32 -0.39 0.02 0.99 -2.03 0.00 0.00 175.02 173.93 2pkq s THR 173 N -1.92 0.12 -0.32 3.16 2.01 -1.12 -2.44 115.64 115.12 2pkq s THR 173 Ca -0.07 0.17 -0.07 0.00 0.31 0.00 0.00 61.69 62.02 2pkq s THR 173 Cb -0.00 -0.27 0.02 0.00 0.01 0.00 0.00 72.50 72.27 2pkq s THR 173 CO 0.03 0.16 0.11 0.28 -0.69 0.00 0.00 174.62 174.51 2pkq s THR 174 N 1.38 3.96 -0.49 -0.82 -1.32 -1.12 -0.68 115.64 116.55 2pkq s THR 174 Ca -0.05 -0.90 -0.29 0.00 -1.21 0.00 0.00 61.69 59.24 2pkq s THR 174 Cb -0.13 -3.15 0.03 0.00 -1.51 0.00 0.00 72.50 67.73 2pkq s THR 174 CO -0.03 -0.07 1.21 -0.89 -2.21 0.00 0.00 174.62 172.64 2pkq s THR 175 N 1.47 4.09 -0.03 5.08 2.01 0.58 -0.71 115.64 128.12 2pkq s THR 175 Ca 0.01 1.08 0.04 0.00 0.31 0.00 0.00 61.69 63.13 2pkq s THR 175 Cb -0.18 -4.56 -0.03 0.00 0.01 0.00 0.00 72.50 67.74 2pkq s THR 175 CO 0.03 -1.05 -0.15 -2.28 -0.69 0.00 0.00 174.62 170.49 2pkq s HIS 176 N 4.82 2.68 0.95 4.92 5.04 0.14 -1.18 115.29 132.65 2pkq s HIS 176 Ca 0.50 -0.18 -0.11 0.00 -1.54 0.00 0.00 55.06 53.73 2pkq s HIS 176 Cb -0.08 -1.60 0.16 0.00 0.04 0.00 0.00 32.58 31.10 2pkq s HIS 176 CO 0.30 0.20 1.10 -1.12 -2.34 0.00 0.00 174.74 172.89 2pkq s SER 177 N -0.89 2.82 0.80 9.88 0.01 -1.26 -0.73 113.70 124.33 2pkq s SER 177 Ca 0.12 1.85 -0.12 0.00 1.31 0.00 0.00 55.95 59.11 2pkq s SER 177 Cb -0.11 -2.42 0.08 0.00 0.21 0.00 0.00 66.02 63.78 2pkq s SER 177 CO 0.02 -3.11 1.17 -0.72 0.41 0.00 0.00 173.24 171.00 2pkq s TYR 178 N -2.70 2.96 0.16 2.43 -0.85 -0.09 -4.69 117.35 114.57 2pkq s TYR 178 Ca 0.66 0.74 -0.02 0.00 -0.52 0.00 0.00 57.07 57.92 2pkq s TYR 178 Cb -0.21 -3.47 -0.03 0.00 0.38 0.00 0.00 41.96 38.63 2pkq s TYR 178 CO 0.59 -1.74 0.13 0.95 -1.52 0.00 0.00 175.55 173.96 2pkq s THR 179 N -3.55 0.06 0.57 -3.49 -4.23 -1.26 -4.73 115.64 99.01 2pkq s THR 179 Ca 0.62 -1.85 0.39 0.00 -1.18 0.00 0.00 61.69 59.66 2pkq s THR 179 Cb -0.11 -2.18 0.57 0.00 1.34 0.00 0.00 72.50 72.12 2pkq s THR 179 CO 0.49 -0.27 1.61 1.23 -0.54 0.00 0.00 174.62 177.14 2pkq h GLY 180 N 2.72 0.00 2.00 3.99 0.00 -1.99 0.11 103.07 109.90 2pkq h GLY 180 Ca -0.35 0.00 -0.03 0.00 0.00 0.00 0.00 47.33 46.96 2pkq h GLY 180 CO 0.55 0.00 -0.13 -1.80 0.00 0.00 0.00 176.54 175.16 2pkq h ASP 181 N 0.00 0.00 -4.33 0.19 1.82 -1.99 -3.44 116.42 108.67 2pkq h ASP 181 Ca 0.65 0.00 -0.51 0.00 -0.39 0.00 0.00 57.03 56.78 2pkq h ASP 181 Cb 2.86 0.00 0.07 0.00 0.68 0.00 0.00 39.33 42.94 2pkq h ASP 181 CO -0.01 0.13 0.39 -1.10 -1.61 0.00 0.00 179.24 177.04 2pkq s GLN 182 N -4.70 3.31 -0.01 0.28 -0.21 0.38 -4.95 119.66 113.75 2pkq s GLN 182 Ca -0.04 0.88 -0.21 0.00 0.02 0.00 0.00 55.36 56.01 2pkq s GLN 182 Cb 0.16 -2.04 -0.05 0.00 1.00 0.00 0.00 33.01 32.08 2pkq s GLN 182 CO 0.68 -0.80 0.62 1.03 -2.12 0.00 0.00 175.29 174.69 2pkq s ARG 183 N -4.99 4.35 0.39 2.91 1.81 -1.05 -4.96 118.95 117.41 2pkq s ARG 183 Ca 0.57 0.77 0.18 0.00 -1.72 0.00 0.00 55.73 55.53 2pkq s ARG 183 Cb -0.13 -3.36 0.80 0.00 -0.45 0.00 0.00 34.95 31.81 2pkq s ARG 183 CO 0.52 0.32 1.80 1.25 -0.68 0.00 0.00 175.30 178.51 2pkq h LEU 184 N 5.81 0.00 -7.53 2.53 5.85 -1.87 -3.32 115.31 116.78 2pkq h LEU 184 Ca -0.44 0.00 -0.18 0.00 0.84 0.00 0.00 57.88 58.09 2pkq h LEU 184 Cb 1.20 0.00 -0.26 0.00 0.37 0.00 0.00 40.66 41.97 2pkq h LEU 184 CO 0.71 0.34 -0.50 -0.76 -0.34 0.00 0.00 178.44 177.89 2pkq s LEU 185 N -7.37 1.26 -0.40 2.25 1.43 -1.26 -4.67 118.68 109.90 2pkq s LEU 185 Ca -0.01 0.38 -0.09 0.00 -1.03 0.00 0.00 54.13 53.37 2pkq s LEU 185 Cb 0.12 0.63 -0.11 0.00 0.03 0.00 0.00 46.19 46.87 2pkq s LEU 185 CO 0.68 -0.07 1.01 0.47 0.23 0.00 0.00 176.35 178.67 2pkq n ASP 186 N 3.04 -0.14 -4.10 2.29 9.92 -1.26 -4.76 116.55 121.54 2pkq n ASP 186 Ca -0.13 -0.03 -0.07 0.00 -0.53 0.00 0.00 54.79 54.02 2pkq n ASP 186 Cb 0.58 -0.32 -0.10 0.00 -0.64 0.00 0.00 41.12 40.65 2pkq n ASP 186 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 2pkq s ALA 187 N 2.34 0.55 0.54 2.24 0.00 -0.77 -5.00 121.76 121.65 2pkq s ALA 187 Ca 0.54 -1.24 -0.19 0.00 0.00 0.00 0.00 51.96 51.07 2pkq s ALA 187 Cb -0.45 0.33 -0.08 0.00 0.00 0.00 0.00 23.12 22.92 2pkq s ALA 187 CO 0.21 -0.38 0.69 0.43 0.00 0.00 0.00 175.76 176.71 2pkq n SER 188 N 0.09 -0.29 -3.56 0.00 7.64 -1.26 -4.60 113.62 111.63 2pkq n SER 188 Ca -0.13 0.81 -0.06 0.00 1.01 0.00 0.00 58.87 60.50 2pkq n SER 188 Cb 0.61 -1.24 -0.02 0.00 -1.01 0.00 0.00 64.21 62.55 2pkq n SER 188 CO 0.00 0.00 0.00 -2.28 -3.01 0.00 0.00 175.04 169.75 2pkq s HIS 190 N -1.58 -0.23 -1.89 1.43 5.04 -1.26 -4.91 115.29 111.88 2pkq s HIS 190 Ca 0.69 0.12 0.30 0.00 -1.54 0.00 0.00 55.06 54.62 2pkq s HIS 190 Cb -0.47 0.54 1.39 0.00 0.04 0.00 0.00 32.58 34.07 2pkq s HIS 190 CO 0.53 -0.41 1.94 2.89 -2.34 0.00 0.00 174.74 177.35 2pkq n ARG 191 N -0.21 0.94 -3.76 2.88 1.85 -1.26 -4.30 116.66 112.79 2pkq n ARG 191 Ca -0.05 -0.30 -0.29 0.00 -1.00 0.00 0.00 57.85 56.21 2pkq n ARG 191 Cb 0.60 -1.49 -0.13 0.00 -1.05 0.00 0.00 32.46 30.39 2pkq n ARG 191 CO 0.00 0.00 0.00 0.34 -0.01 0.00 0.00 177.63 177.96 2pkq s ASP 192 N -2.27 3.78 0.00 2.89 -1.08 -1.26 -4.98 116.67 113.75 2pkq s ASP 192 Ca 0.36 -2.99 0.00 0.00 -0.52 0.00 0.00 52.55 49.39 2pkq s ASP 192 Cb 0.21 -1.21 0.00 0.00 -1.46 0.00 0.00 42.92 40.46 2pkq s ASP 192 CO 0.42 -0.21 0.47 0.18 0.52 0.00 0.00 175.17 176.55 2pkq n LEU 193 N 3.07 0.00 -0.06 -1.34 4.32 -1.26 0.10 117.00 121.83 2pkq n LEU 193 Ca 0.12 0.11 -0.04 0.00 -0.02 0.00 0.00 56.01 56.18 2pkq n LEU 193 Cb 0.36 -0.11 -0.01 0.00 -1.62 0.00 0.00 43.42 42.03 2pkq n LEU 193 CO 0.25 -0.11 -0.32 0.54 -1.22 0.00 0.00 177.39 176.54 2pkq n ARG 194 N -0.97 0.37 0.32 3.23 5.12 -1.26 -3.97 116.66 119.49 2pkq n ARG 194 Ca 0.00 0.43 0.15 0.00 -1.93 0.00 0.00 57.85 56.49 2pkq n ARG 194 Cb 0.16 -1.46 0.76 0.00 -1.16 0.00 0.00 32.46 30.75 2pkq n ARG 194 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 2pkq h ARG 195 N -0.80 0.00 0.00 5.56 3.08 -0.62 0.52 114.38 122.12 2pkq h ARG 195 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 2pkq h ARG 195 Cb 0.46 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.51 2pkq h ARG 195 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 179.97 178.90 2pkq n ALA 196 N -1.90 1.87 -2.20 0.04 0.00 0.30 -2.52 120.51 116.11 2pkq n ALA 196 Ca -0.01 -0.01 -0.27 0.00 0.00 0.00 0.00 53.44 53.15 2pkq n ALA 196 Cb 0.44 -1.36 0.01 0.00 0.00 0.00 0.00 19.45 18.54 2pkq n ALA 196 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 2pkq s ARG 197 N -3.11 3.33 0.00 0.00 1.81 0.18 -1.85 118.95 119.31 2pkq s ARG 197 Ca 0.08 0.12 0.00 0.00 -1.72 0.00 0.00 55.73 54.21 2pkq s ARG 197 Cb 0.11 -2.34 0.00 0.00 -0.45 0.00 0.00 34.95 32.27 2pkq s ARG 197 CO 0.40 -0.37 0.00 0.00 -0.68 0.00 0.00 175.30 174.65 2pkq n ALA 198 N -2.37 0.00 0.00 2.13 0.00 -1.26 -4.35 120.51 114.66 2pkq n ALA 198 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.46 2pkq n ALA 198 Cb 0.56 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.01 2pkq n ALA 198 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2pkq n ALA 199 N -1.88 0.00 1.16 0.00 0.00 -1.25 -4.06 120.51 114.47 2pkq n ALA 199 Ca 0.00 0.00 0.12 0.00 0.00 0.00 0.00 53.44 53.56 2pkq n ALA 199 Cb 0.00 0.00 0.22 0.00 0.00 0.00 0.00 19.45 19.67 2pkq n ALA 199 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2pkq n LEU 201 N -0.22 1.34 -4.21 0.00 4.77 -1.26 -4.74 117.00 112.69 2pkq n LEU 201 Ca 0.12 -1.19 -0.13 0.00 -0.03 0.00 0.00 56.01 54.77 2pkq n LEU 201 Cb 0.41 -0.01 -0.09 0.00 -2.33 0.00 0.00 43.42 41.40 2pkq n LEU 201 CO 0.25 0.32 -0.19 0.20 -1.33 0.00 0.00 177.39 176.64 2pkq s ASN 202 N -0.31 0.43 -0.37 -1.43 -0.87 -1.26 -5.07 114.94 106.06 2pkq s ASN 202 Ca 0.02 -1.44 -0.11 0.00 -1.57 0.00 0.00 52.86 49.76 2pkq s ASN 202 Cb 0.02 0.42 0.02 0.00 -0.02 0.00 0.00 41.25 41.69 2pkq s ASN 202 CO 0.02 -0.90 0.21 -0.63 -2.57 0.00 0.00 177.10 173.23 2pkq s ILE 203 N -4.01 4.63 -0.38 0.60 1.01 -1.26 -4.04 121.20 117.76 2pkq s ILE 203 Ca 0.39 -0.79 -0.12 0.00 0.00 0.00 0.00 60.65 60.13 2pkq s ILE 203 Cb 0.06 -3.56 0.03 0.00 0.01 0.00 0.00 42.46 38.99 2pkq s ILE 203 CO 0.15 -0.21 0.23 -0.69 0.00 0.00 0.00 174.94 174.42 2pkq s VAL 204 N 1.57 4.73 -0.04 2.92 1.01 -0.62 -4.84 120.40 125.13 2pkq s VAL 204 Ca 0.03 -0.82 -0.30 0.00 0.00 0.00 0.00 61.98 60.88 2pkq s VAL 204 Cb -0.19 -3.64 -0.03 0.00 0.00 0.00 0.00 36.38 32.52 2pkq s VAL 204 CO 0.07 -0.26 1.17 -2.84 0.00 0.00 0.00 175.10 173.24 2pkq s PRO 205 N 1.58 4.38 0.19 2.72 0.02 -1.26 0.22 135.00 142.86 2pkq s PRO 205 Ca 0.03 1.65 0.01 0.00 0.02 0.00 0.00 61.00 62.70 2pkq s PRO 205 Cb -0.19 -3.52 -0.05 0.00 0.02 0.00 0.00 34.50 30.77 2pkq s PRO 205 CO 0.07 -0.38 0.05 -0.08 -0.33 0.00 0.00 177.00 176.34 2pkq s THR 206 N 1.94 0.46 0.23 0.99 -1.32 -0.32 -4.71 115.64 112.91 2pkq s THR 206 Ca 0.55 -1.98 0.00 0.00 -1.21 0.00 0.00 61.69 59.06 2pkq s THR 206 Cb -0.25 -2.30 -0.04 0.00 -1.51 0.00 0.00 72.50 68.40 2pkq s THR 206 CO 0.23 -0.28 0.41 -0.44 -2.21 0.00 0.00 174.62 172.33 2pkq s SER 207 N -3.19 6.36 0.03 8.08 0.01 -1.26 -1.42 113.70 122.31 2pkq s SER 207 Ca 0.30 0.36 0.03 0.00 1.31 0.00 0.00 55.95 57.94 2pkq s SER 207 Cb 0.07 -1.99 -0.02 0.00 0.21 0.00 0.00 66.02 64.29 2pkq s SER 207 CO 0.07 -0.08 -0.08 0.28 0.41 0.00 0.00 173.24 173.84 2pkq s THR 208 N -1.95 0.61 0.06 1.44 -1.32 -1.26 -4.85 115.64 108.37 2pkq s THR 208 Ca 0.38 -0.82 0.08 0.00 -1.21 0.00 0.00 61.69 60.11 2pkq s THR 208 Cb -0.11 -0.61 -0.22 0.00 -1.51 0.00 0.00 72.50 70.05 2pkq s THR 208 CO 0.30 -0.17 1.04 1.23 -2.21 0.00 0.00 174.62 174.81 2pkq h GLY 209 N 5.00 0.03 -0.99 6.08 0.00 -1.99 -3.33 103.07 107.89 2pkq h GLY 209 Ca -0.34 -0.08 0.29 0.00 0.00 0.00 0.00 47.33 47.19 2pkq h GLY 209 CO 0.44 0.07 0.98 0.00 0.00 0.00 0.00 176.54 178.03 2pkq n ALA 210 N -2.45 0.95 0.30 3.60 0.00 -1.26 0.25 120.51 121.89 2pkq n ALA 210 Ca -0.07 0.33 -0.13 0.00 0.00 0.00 0.00 53.44 53.57 2pkq n ALA 210 Cb 0.99 -0.57 -0.06 0.00 0.00 0.00 0.00 19.45 19.81 2pkq n ALA 210 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2pkq h ALA 211 N 0.49 -1.17 0.00 0.00 0.00 -1.88 -2.45 119.26 114.25 2pkq h ALA 211 Ca 0.47 -0.17 -0.16 0.00 0.00 0.00 0.00 54.91 55.05 2pkq h ALA 211 Cb 2.43 0.41 -0.02 0.00 0.00 0.00 0.00 17.79 20.60 2pkq h ALA 211 CO -0.00 -1.13 -0.76 0.87 0.00 0.00 0.00 179.25 178.22 2pkq h LYS 212 N -0.81 0.00 -0.10 0.00 1.57 -0.41 -3.24 116.57 113.57 2pkq h LYS 212 Ca -0.08 0.00 0.03 0.00 -1.87 0.00 0.00 60.65 58.73 2pkq h LYS 212 Cb 0.64 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.95 2pkq h LYS 212 CO 0.09 0.76 0.09 0.00 -0.57 0.00 0.00 179.45 179.82 2pkq h ALA 213 N 1.24 1.87 0.31 3.86 0.00 -0.79 -1.75 119.26 123.99 2pkq h ALA 213 Ca -0.01 -0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.90 2pkq h ALA 213 Cb 1.58 0.01 -0.04 0.00 0.00 0.00 0.00 17.79 19.35 2pkq h ALA 213 CO 0.10 -0.14 -0.52 0.28 0.00 0.00 0.00 179.25 178.97 2pkq h VAL 214 N 0.00 0.01 -1.34 0.00 2.07 -1.46 0.13 116.25 115.66 2pkq h VAL 214 Ca 0.05 0.00 0.40 0.00 0.82 0.00 0.00 66.70 67.97 2pkq h VAL 214 Cb 0.22 0.01 -0.10 0.00 -1.52 0.00 0.00 31.29 29.90 2pkq h VAL 214 CO -0.00 0.00 0.91 0.00 0.02 0.00 0.00 177.57 178.49 2pkq h ALA 215 N -0.70 2.89 -0.82 1.67 0.00 -1.52 0.65 119.26 121.43 2pkq h ALA 215 Ca -0.03 0.04 0.13 0.00 0.00 0.00 0.00 54.91 55.05 2pkq h ALA 215 Cb 0.82 0.13 -0.09 0.00 0.00 0.00 0.00 17.79 18.66 2pkq h ALA 215 CO -0.18 -1.41 0.42 1.25 0.00 0.00 0.00 179.25 179.34 2pkq h LEU 216 N 0.12 0.52 0.00 0.00 7.12 -0.91 -1.63 115.31 120.53 2pkq h LEU 216 Ca 0.74 0.08 0.00 0.00 0.13 0.00 0.00 57.88 58.83 2pkq h LEU 216 Cb 2.48 -0.00 0.00 0.00 -0.53 0.00 0.00 40.66 42.61 2pkq h LEU 216 CO -0.24 0.24 -1.19 1.33 -0.13 0.00 0.00 178.44 178.45 2pkq n VAL 217 N -4.86 0.00 -3.27 1.05 0.24 0.21 -4.52 118.33 107.18 2pkq n VAL 217 Ca 0.16 -0.20 -0.25 0.00 -2.04 0.00 0.00 64.34 62.01 2pkq n VAL 217 Cb 0.39 0.68 -0.07 0.00 -1.47 0.00 0.00 33.84 33.38 2pkq n VAL 217 CO 0.00 0.00 0.00 0.18 -2.14 0.00 0.00 176.83 174.87 2pkq n LEU 218 N -1.67 2.63 -0.22 1.34 4.77 0.03 -4.77 117.00 119.11 2pkq n LEU 218 Ca 0.01 -5.24 0.20 0.00 -0.03 0.00 0.00 56.01 50.95 2pkq n LEU 218 Cb 0.35 -0.17 0.34 0.00 -2.33 0.00 0.00 43.42 41.61 2pkq n LEU 218 CO 0.37 2.13 0.62 -2.65 -1.33 0.00 0.00 177.39 176.53 2pkq n PRO 219 N 0.79 -0.02 -0.35 3.23 -0.02 -0.64 -0.52 135.00 137.47 2pkq n PRO 219 Ca 0.27 0.70 0.03 0.00 -2.02 0.00 0.00 63.50 62.48 2pkq n PRO 219 Cb 0.46 -1.33 0.19 0.00 -0.02 0.00 0.00 33.50 32.80 2pkq n PRO 219 CO 0.00 0.00 0.00 -0.97 1.98 0.00 0.00 175.50 176.51 2pkq h ASN 220 N 0.00 1.01 -0.04 2.55 -1.24 -1.93 -2.80 115.58 113.13 2pkq h ASN 220 Ca 0.47 0.00 0.00 0.00 0.71 0.00 0.00 56.30 57.48 2pkq h ASN 220 Cb 1.39 -0.21 0.00 0.00 0.73 0.00 0.00 38.32 40.23 2pkq h ASN 220 CO -0.32 0.66 0.00 0.18 -1.29 0.00 0.00 177.43 176.66 2pkq n LEU 221 N -4.48 0.56 -4.67 0.34 7.99 0.33 -4.93 117.00 112.13 2pkq n LEU 221 Ca 0.14 -0.28 -0.54 0.00 -0.01 0.00 0.00 56.01 55.32 2pkq n LEU 221 Cb 0.17 -0.19 -0.06 0.00 -0.11 0.00 0.00 43.42 43.23 2pkq n LEU 221 CO 0.33 0.13 1.22 1.17 -1.51 0.00 0.00 177.39 178.72 2pkq n LYS 222 N -0.24 1.33 -1.35 3.23 4.81 -1.06 -0.68 118.16 124.19 2pkq n LYS 222 Ca 0.01 0.48 -0.12 0.00 -0.87 0.00 0.00 58.31 57.82 2pkq n LYS 222 Cb 0.12 -2.18 -0.05 0.00 0.02 0.00 0.00 35.03 32.94 2pkq n LYS 222 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 2pkq n GLY 223 N 3.70 1.27 0.01 3.14 0.00 -1.26 -4.85 105.19 107.20 2pkq n GLY 223 Ca 0.23 -0.25 0.08 0.00 0.00 0.00 0.00 46.02 46.08 2pkq n GLY 223 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2pkq n LYS 224 N -2.09 0.58 -4.37 1.61 5.02 0.14 -4.99 118.16 114.07 2pkq n LYS 224 Ca -0.12 -0.15 -0.27 0.00 -2.02 0.00 0.00 58.31 55.75 2pkq n LYS 224 Cb 0.47 -1.41 -0.11 0.00 -0.02 0.00 0.00 35.03 33.96 2pkq n LYS 224 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 2pkq s LEU 225 N -4.27 2.65 0.00 -0.35 1.43 -1.25 -0.89 118.68 116.00 2pkq s LEU 225 Ca -0.06 -0.74 0.00 0.00 -1.03 0.00 0.00 54.13 52.30 2pkq s LEU 225 Cb 0.11 -1.38 0.00 0.00 0.03 0.00 0.00 46.19 44.95 2pkq s LEU 225 CO 0.72 0.12 0.00 -3.20 0.23 0.00 0.00 176.35 174.22 2pkq n ASN 226 N 0.21 0.00 -2.37 2.29 2.85 -1.18 -4.40 115.26 112.66 2pkq n ASN 226 Ca -0.12 0.00 -0.07 0.00 -0.11 0.00 0.00 54.58 54.28 2pkq n ASN 226 Cb 0.56 0.00 0.02 0.00 1.24 0.00 0.00 39.78 41.59 2pkq n ASN 226 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 2pkq n GLY 227 N -0.01 1.40 0.00 8.20 0.00 -1.25 -2.90 105.19 110.63 2pkq n GLY 227 Ca 0.00 -1.25 0.00 0.00 0.00 0.00 0.00 46.02 44.77 2pkq n GLY 227 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 2pkq n ILE 228 N -0.41 0.00 -3.70 -0.61 -5.35 -1.02 -4.36 119.36 103.91 2pkq n ILE 228 Ca -0.06 0.00 -0.13 0.00 -0.27 0.00 0.00 62.75 62.29 2pkq n ILE 228 Cb 0.45 -0.06 -0.07 0.00 -1.74 0.00 0.00 39.64 38.22 2pkq n ILE 228 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 2pkq s ALA 229 N -2.00 -0.93 -0.19 -1.28 0.00 -0.51 -2.79 121.76 114.06 2pkq s ALA 229 Ca 0.00 0.31 0.00 0.00 0.00 0.00 0.00 51.96 52.28 2pkq s ALA 229 Cb 0.00 0.25 0.04 0.00 0.00 0.00 0.00 23.12 23.41 2pkq s ALA 229 CO 0.00 -0.39 -0.08 -0.51 0.00 0.00 0.00 175.76 174.78 2pkq s LEU 230 N -1.79 2.10 -0.78 0.00 1.43 0.11 -1.18 118.68 118.58 2pkq s LEU 230 Ca -0.08 -0.85 -0.24 0.00 -1.03 0.00 0.00 54.13 51.93 2pkq s LEU 230 Cb -0.02 -1.13 0.06 0.00 0.03 0.00 0.00 46.19 45.13 2pkq s LEU 230 CO -0.00 -0.17 1.19 -0.13 0.23 0.00 0.00 176.35 177.48 2pkq s ARG 231 N 1.47 3.27 0.09 1.70 1.81 0.13 0.23 118.95 127.66 2pkq s ARG 231 Ca -0.01 -0.71 0.01 0.00 -1.72 0.00 0.00 55.73 53.30 2pkq s ARG 231 Cb -0.16 -4.45 -0.04 0.00 -0.45 0.00 0.00 34.95 29.85 2pkq s ARG 231 CO -0.08 -2.02 0.23 0.14 -0.68 0.00 0.00 175.30 172.89 2pkq s VAL 232 N 4.81 5.33 -0.16 3.52 -7.23 0.09 -1.59 120.40 125.17 2pkq s VAL 232 Ca 0.32 -0.52 -0.17 0.00 -1.81 0.00 0.00 61.98 59.80 2pkq s VAL 232 Cb -0.09 -3.65 -0.20 0.00 0.56 0.00 0.00 36.38 32.99 2pkq s VAL 232 CO 0.07 0.05 1.26 -2.65 -0.31 0.00 0.00 175.10 173.53 2pkq n PRO 233 N -0.01 0.01 -3.71 4.82 -0.02 -1.26 -3.46 135.00 131.38 2pkq n PRO 233 Ca -0.06 -0.69 -0.12 0.00 -2.02 0.00 0.00 63.50 60.62 2pkq n PRO 233 Cb 0.52 -2.09 -0.10 0.00 -0.02 0.00 0.00 33.50 31.81 2pkq n PRO 233 CO 0.00 0.00 0.00 0.95 1.98 0.00 0.00 175.50 178.43 2pkq s THR 234 N 6.56 -0.01 -1.04 3.45 -4.23 -1.26 -5.01 115.64 114.11 2pkq s THR 234 Ca 0.42 0.04 0.21 0.00 -1.18 0.00 0.00 61.69 61.18 2pkq s THR 234 Cb 0.06 -0.63 0.19 0.00 1.34 0.00 0.00 72.50 73.45 2pkq s THR 234 CO 0.18 0.02 1.66 -0.81 -0.54 0.00 0.00 174.62 175.13 2pkq n PRO 235 N 3.50 0.03 -3.56 3.99 -0.04 -1.26 -0.91 135.00 136.74 2pkq n PRO 235 Ca -0.18 0.14 -0.06 0.00 -0.04 0.00 0.00 63.50 63.36 2pkq n PRO 235 Cb 0.56 -1.50 -0.02 0.00 -0.04 0.00 0.00 33.50 32.50 2pkq n PRO 235 CO 0.00 0.00 0.00 1.21 -0.04 0.00 0.00 175.50 176.67 2pkq s ASN 236 N -2.96 -0.22 0.07 3.54 2.47 -1.26 -4.76 114.94 111.81 2pkq s ASN 236 Ca 0.11 -0.01 0.00 0.00 0.42 0.00 0.00 52.86 53.38 2pkq s ASN 236 Cb 0.14 0.24 0.00 0.00 -1.45 0.00 0.00 41.25 40.17 2pkq s ASN 236 CO 0.37 -0.39 0.00 0.52 -3.72 0.00 0.00 177.10 173.88 2pkq n VAL 237 N -0.16 -3.45 -4.26 -5.21 0.31 -1.26 -4.84 118.33 99.46 2pkq n VAL 237 Ca -0.03 0.71 -0.14 0.00 -0.01 0.00 0.00 64.34 64.86 2pkq n VAL 237 Cb 0.60 -2.22 -0.10 0.00 -0.91 0.00 0.00 33.84 31.20 2pkq n VAL 237 CO 0.00 0.00 0.00 -0.44 -1.32 0.00 0.00 176.83 175.07 2pkq s SER 238 N -0.65 1.14 -0.01 4.52 0.01 0.36 -4.15 113.70 114.93 2pkq s SER 238 Ca 0.00 -1.25 0.05 0.00 1.31 0.00 0.00 55.95 56.06 2pkq s SER 238 Cb 0.00 0.15 -0.01 0.00 0.21 0.00 0.00 66.02 66.36 2pkq s SER 238 CO 0.00 -0.63 -0.15 0.54 0.41 0.00 0.00 173.24 173.41 2pkq s VAL 239 N -3.72 1.15 -0.03 3.43 0.11 -0.32 -1.18 120.40 119.84 2pkq s VAL 239 Ca 0.29 -0.65 0.01 0.00 -2.93 0.00 0.00 61.98 58.70 2pkq s VAL 239 Cb 0.07 -0.96 -0.03 0.00 -1.53 0.00 0.00 36.38 33.92 2pkq s VAL 239 CO 0.07 0.30 -0.04 0.54 -3.33 0.00 0.00 175.10 172.64 2pkq s VAL 240 N -0.38 3.86 -0.70 2.04 0.11 0.32 -0.31 120.40 125.33 2pkq s VAL 240 Ca 0.05 -0.58 0.05 0.00 -2.93 0.00 0.00 61.98 58.57 2pkq s VAL 240 Cb -0.06 -2.65 0.19 0.00 -1.53 0.00 0.00 36.38 32.33 2pkq s VAL 240 CO -0.00 0.48 0.57 -0.67 -3.33 0.00 0.00 175.10 172.15 2pkq n ASP 241 N 1.80 3.27 -4.80 3.54 2.03 0.14 -1.20 116.55 121.33 2pkq n ASP 241 Ca -0.16 -3.27 -0.34 0.00 0.52 0.00 0.00 54.79 51.54 2pkq n ASP 241 Cb 0.53 -0.75 -0.03 0.00 -0.72 0.00 0.00 41.12 40.15 2pkq n ASP 241 CO 0.00 0.00 0.00 -0.22 -1.92 0.00 0.00 177.20 175.06 2pkq s LEU 242 N -1.71 3.80 -0.38 -2.67 2.96 -0.71 -2.81 118.68 117.16 2pkq s LEU 242 Ca 0.28 1.95 0.03 0.00 -0.22 0.00 0.00 54.13 56.17 2pkq s LEU 242 Cb 0.00 -4.56 0.16 0.00 0.50 0.00 0.00 46.19 42.29 2pkq s LEU 242 CO -0.13 -0.87 0.39 -0.69 -1.32 0.00 0.00 176.35 173.72 2pkq s VAL 243 N -2.00 -0.31 0.17 1.68 1.01 -0.20 -1.68 120.40 119.07 2pkq s VAL 243 Ca 0.68 -1.11 0.05 0.00 0.00 0.00 0.00 61.98 61.60 2pkq s VAL 243 Cb -0.17 -0.68 -0.04 0.00 0.00 0.00 0.00 36.38 35.49 2pkq s VAL 243 CO 0.22 -0.61 0.12 0.68 0.00 0.00 0.00 175.10 175.51 2pkq s VAL 244 N 1.30 4.38 -0.27 2.92 -7.23 -0.36 -2.14 120.40 118.99 2pkq s VAL 244 Ca 0.18 -1.15 -0.05 0.00 -1.81 0.00 0.00 61.98 59.16 2pkq s VAL 244 Cb -0.14 -3.24 0.01 0.00 0.56 0.00 0.00 36.38 33.57 2pkq s VAL 244 CO -0.03 -0.12 0.02 -1.58 -0.31 0.00 0.00 175.10 173.08 2pkq s GLN 245 N -3.12 3.08 0.40 4.82 0.74 -0.01 0.15 119.66 125.72 2pkq s GLN 245 Ca 0.31 -0.84 0.08 0.00 0.05 0.00 0.00 55.36 54.95 2pkq s GLN 245 Cb -0.10 -3.20 0.00 0.00 1.10 0.00 0.00 33.01 30.81 2pkq s GLN 245 CO 0.23 -0.38 0.53 0.14 -0.55 0.00 0.00 175.29 175.25 2pkq s VAL 246 N 1.45 3.23 -0.10 1.34 -7.23 0.49 -0.18 120.40 119.40 2pkq s VAL 246 Ca 0.02 -1.03 -0.01 0.00 -1.81 0.00 0.00 61.98 59.15 2pkq s VAL 246 Cb -0.16 -3.10 -0.00 0.00 0.56 0.00 0.00 36.38 33.68 2pkq s VAL 246 CO -0.00 -0.04 -0.02 0.77 -0.31 0.00 0.00 175.10 175.50 2pkq h SER 247 N 0.74 0.00 -1.89 4.85 4.64 -0.63 -3.45 113.55 117.81 2pkq h SER 247 Ca -0.41 0.00 -0.55 0.00 -0.47 0.00 0.00 61.79 60.36 2pkq h SER 247 Cb 1.27 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.36 2pkq h SER 247 CO 0.48 0.51 1.53 -0.75 -0.87 0.00 0.00 176.83 177.73 2pkq s LYS 248 N -1.60 2.79 0.22 4.77 2.20 -1.07 -4.91 119.74 122.14 2pkq s LYS 248 Ca -0.02 1.80 -0.31 0.00 -0.36 0.00 0.00 55.97 57.09 2pkq s LYS 248 Cb 0.00 -4.44 -0.15 0.00 -1.51 0.00 0.00 37.83 31.73 2pkq s LYS 248 CO 0.02 -2.50 1.11 1.63 -0.36 0.00 0.00 175.35 175.25 2pkq n LYS 249 N 8.85 1.28 -4.10 4.03 5.02 -1.26 -4.91 118.16 127.07 2pkq n LYS 249 Ca 0.32 0.45 -0.12 0.00 -2.02 0.00 0.00 58.31 56.94 2pkq n LYS 249 Cb 0.48 -1.90 -0.07 0.00 -0.02 0.00 0.00 35.03 33.53 2pkq n LYS 249 CO 0.00 0.00 0.00 -0.08 -0.52 0.00 0.00 177.40 176.80 2pkq s THR 250 N -0.54 0.00 0.19 -0.18 -1.32 0.10 -5.02 115.64 108.88 2pkq s THR 250 Ca 0.67 -1.67 0.05 0.00 -1.21 0.00 0.00 61.69 59.53 2pkq s THR 250 Cb -0.78 -2.42 -0.05 0.00 -1.51 0.00 0.00 72.50 67.75 2pkq s THR 250 CO 0.55 0.00 -0.07 0.72 -2.21 0.00 0.00 174.62 173.61 2pkq s PHE 251 N -3.80 1.48 0.00 9.09 -0.71 -1.26 -4.54 117.98 118.24 2pkq s PHE 251 Ca 0.30 -0.78 0.00 0.00 -1.04 0.00 0.00 56.93 55.42 2pkq s PHE 251 Cb 0.02 -0.79 0.00 0.00 -1.21 0.00 0.00 43.02 41.04 2pkq s PHE 251 CO 0.14 0.10 0.36 0.00 -1.34 0.00 0.00 175.22 174.48 2pkq n ALA 252 N -0.33 0.00 0.29 1.99 0.00 -1.26 -1.65 120.51 119.56 2pkq n ALA 252 Ca -0.08 0.00 0.15 0.00 0.00 0.00 0.00 53.44 53.51 2pkq n ALA 252 Cb 0.62 0.18 0.89 0.00 0.00 0.00 0.00 19.45 21.14 2pkq n ALA 252 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.50 178.99 2pkq h GLU 253 N 0.00 0.00 -0.40 0.00 4.57 -1.98 -2.38 114.58 114.39 2pkq h GLU 253 Ca 0.00 0.00 -0.03 0.00 -1.18 0.00 0.00 59.36 58.15 2pkq h GLU 253 Cb 0.00 0.00 -0.02 0.00 -0.16 0.00 0.00 28.75 28.57 2pkq h GLU 253 CO 0.00 0.03 0.12 1.49 -1.18 0.00 0.00 179.01 179.47 2pkq h GLU 254 N 0.00 0.63 0.35 1.92 4.81 -1.74 0.08 114.58 120.63 2pkq h GLU 254 Ca -0.00 -0.14 -0.01 0.00 -0.13 0.00 0.00 59.36 59.08 2pkq h GLU 254 Cb 0.08 -0.09 -0.01 0.00 0.63 0.00 0.00 28.75 29.36 2pkq h GLU 254 CO 0.00 0.63 -0.26 0.28 -0.73 0.00 0.00 179.01 178.94 2pkq h VAL 255 N 0.50 0.00 -0.84 0.32 2.07 -1.09 -1.66 116.25 115.55 2pkq h VAL 255 Ca 0.13 0.00 0.20 0.00 0.82 0.00 0.00 66.70 67.85 2pkq h VAL 255 Cb 0.27 0.00 -0.15 0.00 -1.52 0.00 0.00 31.29 29.89 2pkq h VAL 255 CO -0.00 0.00 -0.01 0.78 0.02 0.00 0.00 177.57 178.36 2pkq h ASN 256 N -0.58 -0.43 -0.14 0.57 -0.26 -1.48 0.66 115.58 113.92 2pkq h ASN 256 Ca -0.05 0.23 0.03 0.00 -0.56 0.00 0.00 56.30 55.95 2pkq h ASN 256 Cb 0.48 0.41 -0.05 0.00 -1.06 0.00 0.00 38.32 38.09 2pkq h ASN 256 CO 0.02 -0.24 -0.44 0.00 -1.06 0.00 0.00 177.43 175.70 2pkq h ALA 257 N 1.81 -0.79 -0.83 -0.83 0.00 -0.64 -0.06 119.26 117.91 2pkq h ALA 257 Ca 0.47 -0.04 0.18 0.00 0.00 0.00 0.00 54.91 55.52 2pkq h ALA 257 Cb 0.87 0.95 -0.16 0.00 0.00 0.00 0.00 17.79 19.45 2pkq h ALA 257 CO -0.77 -0.96 -0.15 0.00 0.00 0.00 0.00 179.25 177.38 2pkq h ALA 258 N -0.48 0.65 0.31 0.00 0.00 0.07 0.16 119.26 119.98 2pkq h ALA 258 Ca 0.03 0.31 0.00 0.00 0.00 0.00 0.00 54.91 55.25 2pkq h ALA 258 Cb 0.54 0.59 -0.03 0.00 0.00 0.00 0.00 17.79 18.89 2pkq h ALA 258 CO -0.37 -0.42 -0.50 0.74 0.00 0.00 0.00 179.25 178.69 2pkq h PHE 259 N 0.02 -1.42 -0.40 0.00 0.04 -0.43 -1.76 116.94 112.99 2pkq h PHE 259 Ca 0.42 0.02 0.08 0.00 2.80 0.00 0.00 57.97 61.30 2pkq h PHE 259 Cb 0.69 0.58 -0.09 0.00 2.20 0.00 0.00 35.95 39.33 2pkq h PHE 259 CO -0.60 -0.63 -0.29 0.00 -0.60 0.00 0.00 178.31 176.20 2pkq h ARG 260 N -0.87 -0.21 -0.59 1.51 3.08 0.96 0.14 114.38 118.39 2pkq h ARG 260 Ca -0.03 0.01 0.09 0.00 0.07 0.00 0.00 59.98 60.12 2pkq h ARG 260 Cb 0.81 0.05 -0.11 0.00 0.08 0.00 0.00 29.97 30.80 2pkq h ARG 260 CO -0.17 -0.14 -0.45 1.49 -1.07 0.00 0.00 179.97 179.63 2pkq h GLU 261 N -0.22 -0.22 -0.92 0.04 4.81 -0.44 0.20 114.58 117.83 2pkq h GLU 261 Ca 0.18 0.02 -0.00 0.00 -0.13 0.00 0.00 59.36 59.43 2pkq h GLU 261 Cb 0.51 0.05 -0.04 0.00 0.63 0.00 0.00 28.75 29.90 2pkq h GLU 261 CO -0.52 -0.15 0.57 0.77 -0.73 0.00 0.00 179.01 178.95 2pkq h SER 262 N -0.23 1.09 0.24 1.04 0.02 -0.42 -1.57 113.55 113.72 2pkq h SER 262 Ca 0.17 -0.05 -0.02 0.00 -0.84 0.00 0.00 61.79 61.05 2pkq h SER 262 Cb 0.56 -0.27 -0.00 0.00 0.14 0.00 0.00 62.40 62.82 2pkq h SER 262 CO -0.70 0.82 -0.09 0.00 -1.14 0.00 0.00 176.83 175.72 2pkq h ALA 263 N 1.37 1.39 0.00 3.77 0.00 0.20 0.14 119.26 126.13 2pkq h ALA 263 Ca 0.33 -0.08 -0.05 0.00 0.00 0.00 0.00 54.91 55.11 2pkq h ALA 263 Cb -0.08 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 17.69 2pkq h ALA 263 CO -0.07 0.11 -1.27 -0.25 0.00 0.00 0.00 179.25 177.78 2pkq n ASP 264 N -3.77 0.71 0.00 0.00 8.00 0.29 -2.76 116.55 119.04 2pkq n ASP 264 Ca -0.02 0.29 0.00 0.00 0.71 0.00 0.00 54.79 55.76 2pkq n ASP 264 Cb 0.19 0.61 0.00 0.00 -0.02 0.00 0.00 41.12 41.90 2pkq n ASP 264 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 2pkq n ASN 265 N -2.67 0.00 0.23 -2.24 3.02 -0.67 -4.72 115.26 108.21 2pkq n ASN 265 Ca -0.04 0.00 -0.15 0.00 -0.03 0.00 0.00 54.58 54.36 2pkq n ASN 265 Cb 0.63 0.00 -0.08 0.00 -0.61 0.00 0.00 39.78 39.73 2pkq n ASN 265 CO 0.00 0.00 0.00 1.05 -2.62 0.00 0.00 177.26 175.69 2pkq h GLU 266 N 0.00 -0.56 -0.07 3.52 4.11 -1.74 -3.01 114.58 116.83 2pkq h GLU 266 Ca 0.00 0.04 0.00 0.00 0.07 0.00 0.00 59.36 59.47 2pkq h GLU 266 Cb 0.00 0.13 0.00 0.00 0.50 0.00 0.00 28.75 29.38 2pkq h GLU 266 CO 0.00 -0.37 0.00 1.28 0.07 0.00 0.00 179.01 179.99 2pkq n LEU 267 N -5.36 0.52 -4.52 3.06 4.77 0.45 -4.89 117.00 111.03 2pkq n LEU 267 Ca -0.10 -0.23 -0.55 0.00 -0.03 0.00 0.00 56.01 55.09 2pkq n LEU 267 Cb 0.26 -0.05 -0.08 0.00 -2.33 0.00 0.00 43.42 41.23 2pkq n LEU 267 CO 0.34 0.12 1.60 1.17 -1.33 0.00 0.00 177.39 179.29 2pkq n LYS 268 N -0.36 0.92 0.00 3.23 4.81 -1.11 0.13 118.16 125.78 2pkq n LYS 268 Ca 0.11 0.29 0.00 0.00 -0.87 0.00 0.00 58.31 57.84 2pkq n LYS 268 Cb 0.12 -2.16 0.00 0.00 0.02 0.00 0.00 35.03 33.02 2pkq n LYS 268 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 2pkq n GLY 269 N 5.80 2.48 0.27 3.14 0.00 -1.26 -4.91 105.19 110.70 2pkq n GLY 269 Ca 0.38 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 46.37 2pkq n GLY 269 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 2pkq n ILE 270 N -0.67 0.59 -2.78 -0.61 2.08 0.36 -4.20 119.36 114.13 2pkq n ILE 270 Ca 0.00 0.31 -0.23 0.00 0.56 0.00 0.00 62.75 63.39 2pkq n ILE 270 Cb 0.00 -1.71 0.02 0.00 -0.75 0.00 0.00 39.64 37.21 2pkq n ILE 270 CO 0.00 0.00 0.00 -0.22 0.56 0.00 0.00 176.55 176.89 2pkq s LEU 271 N -6.11 3.45 -0.21 1.39 2.96 -0.86 -0.98 118.68 118.33 2pkq s LEU 271 Ca -0.09 0.26 -0.32 0.00 -0.22 0.00 0.00 54.13 53.76 2pkq s LEU 271 Cb 0.01 -3.12 0.15 0.00 0.50 0.00 0.00 46.19 43.73 2pkq s LEU 271 CO 0.14 -0.91 1.19 -0.55 -1.32 0.00 0.00 176.35 174.90 2pkq s SER 272 N -4.30 -0.17 0.26 3.68 0.15 -0.84 -4.68 113.70 107.80 2pkq s SER 272 Ca 0.52 0.11 0.09 0.00 0.70 0.00 0.00 55.95 57.38 2pkq s SER 272 Cb -0.10 0.16 -0.04 0.00 -1.71 0.00 0.00 66.02 64.32 2pkq s SER 272 CO 0.39 -0.21 0.00 -0.69 1.20 0.00 0.00 173.24 173.94 2pkq s VAL 273 N -1.67 3.51 -0.18 4.45 1.01 -1.26 0.53 120.40 126.79 2pkq s VAL 273 Ca 0.06 -1.85 -0.06 0.00 0.00 0.00 0.00 61.98 60.14 2pkq s VAL 273 Cb -0.01 -2.87 0.08 0.00 0.00 0.00 0.00 36.38 33.59 2pkq s VAL 273 CO -0.04 -0.35 0.35 0.00 0.00 0.00 0.00 175.10 175.06 2pkq n ASP 275 N 5.37 1.26 -4.54 0.00 8.00 -1.26 -3.13 116.55 122.25 2pkq n ASP 275 Ca -0.07 0.23 -0.48 0.00 0.71 0.00 0.00 54.79 55.18 2pkq n ASP 275 Cb 0.50 -0.20 -0.05 0.00 -0.02 0.00 0.00 41.12 41.34 2pkq n ASP 275 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 2pkq n GLU 276 N -3.16 1.54 -1.55 -1.24 -0.58 -1.26 -4.74 120.64 109.65 2pkq n GLU 276 Ca -0.27 0.46 -0.31 0.00 -0.42 0.00 0.00 57.16 56.62 2pkq n GLU 276 Cb 1.06 -2.71 -0.04 0.00 -0.57 0.00 0.00 31.44 29.18 2pkq n GLU 276 CO 0.00 0.00 0.00 -0.35 -0.48 0.00 0.00 177.13 176.30 2pkq n PRO 277 N 8.00 0.90 -0.86 3.49 -0.04 -1.26 -4.91 135.00 140.32 2pkq n PRO 277 Ca 0.34 -0.20 0.00 0.00 -0.04 0.00 0.00 63.50 63.61 2pkq n PRO 277 Cb 0.30 -3.44 0.00 0.00 -0.04 0.00 0.00 33.50 30.32 2pkq n PRO 277 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 2pkq n LEU 278 N 16.38 0.00 -4.07 1.53 4.77 -1.26 -5.17 117.00 129.17 2pkq n LEU 278 Ca 0.40 0.00 -0.10 0.00 -0.03 0.00 0.00 56.01 56.28 2pkq n LEU 278 Cb 0.51 0.00 -0.07 0.00 -2.33 0.00 0.00 43.42 41.53 2pkq n LEU 278 CO 0.68 -0.13 0.04 0.68 -1.33 0.00 0.00 177.39 177.33 2pkq s VAL 279 N 0.62 0.00 0.00 4.08 -7.23 -1.26 -5.06 120.40 111.55 2pkq s VAL 279 Ca 0.00 -1.62 0.00 0.00 -1.81 0.00 0.00 61.98 58.55 2pkq s VAL 279 Cb 0.00 -2.33 0.00 0.00 0.56 0.00 0.00 36.38 34.61 2pkq s VAL 279 CO 0.00 0.00 0.14 -1.20 -0.31 0.00 0.00 175.10 173.73 2pkq n SER 280 N -0.42 0.00 -0.38 4.85 7.64 -1.26 -0.56 113.62 123.50 2pkq n SER 280 Ca -0.00 0.14 0.31 0.00 1.01 0.00 0.00 58.87 60.32 2pkq n SER 280 Cb 0.63 0.00 0.50 0.00 -1.01 0.00 0.00 64.21 64.33 2pkq n SER 280 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2pkq n ILE 281 N -0.42 -0.12 0.85 0.44 0.13 -1.26 0.84 119.36 119.82 2pkq n ILE 281 Ca 0.00 1.18 0.06 0.00 -1.10 0.00 0.00 62.75 62.89 2pkq n ILE 281 Cb 0.00 -1.94 0.33 0.00 -0.84 0.00 0.00 39.64 37.19 2pkq n ILE 281 CO 0.00 0.00 0.00 0.47 2.80 0.00 0.00 176.55 179.82 2pkq n ASP 282 N -3.84 0.00 -0.29 9.51 8.00 0.28 -2.79 116.55 127.43 2pkq n ASP 282 Ca 0.29 -0.50 0.09 0.00 0.71 0.00 0.00 54.79 55.38 2pkq n ASP 282 Cb 1.18 0.00 0.17 0.00 -0.02 0.00 0.00 41.12 42.44 2pkq n ASP 282 CO 0.00 0.00 0.00 0.49 -0.39 0.00 0.00 177.20 177.30 2pkq n PHE 283 N -0.91 0.18 -1.00 1.24 3.72 0.25 -4.96 117.46 115.97 2pkq n PHE 283 Ca 0.08 -1.05 -0.29 0.00 -0.05 0.00 0.00 57.45 56.15 2pkq n PHE 283 Cb 0.04 -0.20 0.19 0.00 -0.94 0.00 0.00 39.48 38.58 2pkq n PHE 283 CO 0.00 0.00 0.00 1.03 -0.05 0.00 0.00 176.76 177.74 2pkq s ARG 284 N -2.92 0.14 -0.70 -1.08 1.81 -1.12 -3.93 118.95 111.14 2pkq s ARG 284 Ca 0.35 0.64 -0.18 0.00 -1.72 0.00 0.00 55.73 54.81 2pkq s ARG 284 Cb 0.30 -1.69 0.03 0.00 -0.45 0.00 0.00 34.95 33.13 2pkq s ARG 284 CO 0.03 -2.96 0.34 0.00 -0.68 0.00 0.00 175.30 172.03 2pkq s THR 286 N -4.14 3.22 0.29 0.00 2.01 -1.25 -4.97 115.64 110.80 2pkq s THR 286 Ca 0.25 -1.76 0.12 0.00 0.31 0.00 0.00 61.69 60.61 2pkq s THR 286 Cb -0.14 -3.06 0.12 0.00 0.01 0.00 0.00 72.50 69.42 2pkq s THR 286 CO 0.55 -0.45 1.25 0.44 -0.69 0.00 0.00 174.62 175.71 2pkq h ASP 287 N 8.04 0.00 -3.55 3.53 3.32 -1.94 -3.36 116.42 122.46 2pkq h ASP 287 Ca -0.16 0.00 -0.49 0.00 0.02 0.00 0.00 57.03 56.39 2pkq h ASP 287 Cb 1.05 0.00 0.02 0.00 0.22 0.00 0.00 39.33 40.63 2pkq h ASP 287 CO 0.63 0.00 0.08 0.68 -1.72 0.00 0.00 179.24 178.91 2pkq s VAL 288 N -3.47 4.89 0.05 -1.35 -7.23 -1.26 -4.87 120.40 107.16 2pkq s VAL 288 Ca -0.01 0.29 -0.15 0.00 -1.81 0.00 0.00 61.98 60.30 2pkq s VAL 288 Cb 0.03 -3.82 -0.32 0.00 0.56 0.00 0.00 36.38 32.83 2pkq s VAL 288 CO 0.10 -0.70 1.06 0.28 -0.31 0.00 0.00 175.10 175.53 2pkq h SER 289 N 0.66 0.84 -4.58 4.85 0.02 -1.27 -3.42 113.55 110.65 2pkq h SER 289 Ca -0.47 -0.84 -0.21 0.00 -0.84 0.00 0.00 61.79 59.43 2pkq h SER 289 Cb 1.20 -0.27 -0.23 0.00 0.14 0.00 0.00 62.40 63.24 2pkq h SER 289 CO 0.63 1.65 -0.71 -0.55 -1.14 0.00 0.00 176.83 176.70 2pkq s SER 290 N -7.49 0.28 -0.15 3.07 0.15 -0.98 -4.47 113.70 104.10 2pkq s SER 290 Ca -0.09 -0.36 -0.04 0.00 0.70 0.00 0.00 55.95 56.16 2pkq s SER 290 Cb 0.05 0.06 0.05 0.00 -1.71 0.00 0.00 66.02 64.47 2pkq s SER 290 CO 0.94 -0.19 0.07 -0.89 1.20 0.00 0.00 173.24 174.37 2pkq s THR 291 N -1.01 0.06 0.06 6.45 2.01 -0.50 -1.98 115.64 120.74 2pkq s THR 291 Ca -0.10 -0.15 -0.30 0.00 0.31 0.00 0.00 61.69 61.44 2pkq s THR 291 Cb -0.07 -0.61 -0.05 0.00 0.01 0.00 0.00 72.50 71.78 2pkq s THR 291 CO -0.01 -0.17 1.16 -0.63 -0.69 0.00 0.00 174.62 174.28 2pkq s ILE 292 N 2.08 4.17 -1.19 1.82 -1.09 0.19 -0.94 121.20 126.22 2pkq s ILE 292 Ca 0.02 1.57 -0.12 0.00 -2.23 0.00 0.00 60.65 59.89 2pkq s ILE 292 Cb -0.15 -4.01 0.20 0.00 -1.58 0.00 0.00 42.46 36.92 2pkq s ILE 292 CO -0.08 0.13 1.39 -0.67 -1.23 0.00 0.00 174.94 174.48 2pkq n ASP 293 N 3.84 5.30 -0.31 3.58 -0.08 -1.09 -1.03 116.55 126.77 2pkq n ASP 293 Ca 0.08 -3.00 -0.08 0.00 -1.51 0.00 0.00 54.79 50.28 2pkq n ASP 293 Cb 0.47 -1.52 -0.07 0.00 2.34 0.00 0.00 41.12 42.33 2pkq n ASP 293 CO 0.00 0.00 0.00 -1.54 0.12 0.00 0.00 177.20 175.78 2pkq n SER 294 N 4.86 -0.79 0.08 1.67 3.41 -1.18 -0.70 113.62 120.98 2pkq n SER 294 Ca 0.34 1.39 0.03 0.00 -0.26 0.00 0.00 58.87 60.37 2pkq n SER 294 Cb 0.41 -0.20 0.18 0.00 -0.26 0.00 0.00 64.21 64.34 2pkq n SER 294 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 2pkq n SER 295 N -4.83 0.17 -0.07 4.04 3.41 -1.26 -1.28 113.62 113.79 2pkq n SER 295 Ca 0.01 0.42 -0.10 0.00 -0.26 0.00 0.00 58.87 58.95 2pkq n SER 295 Cb 0.19 -0.39 -0.15 0.00 -0.26 0.00 0.00 64.21 63.60 2pkq n SER 295 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 2pkq n LEU 296 N -1.68 0.39 -4.63 1.04 4.77 0.13 -4.96 117.00 112.05 2pkq n LEU 296 Ca -0.00 0.14 -0.50 0.00 -0.03 0.00 0.00 56.01 55.61 2pkq n LEU 296 Cb 0.28 0.34 -0.05 0.00 -2.33 0.00 0.00 43.42 41.66 2pkq n LEU 296 CO 0.03 0.48 1.08 0.41 -1.33 0.00 0.00 177.39 178.05 2pkq n THR 297 N -2.87 0.08 -3.80 -5.08 -1.04 -0.41 -4.84 114.28 96.32 2pkq n THR 297 Ca -0.28 -0.01 -0.12 0.00 -2.04 0.00 0.00 64.05 61.59 2pkq n THR 297 Cb 1.12 -1.16 -0.10 0.00 -1.82 0.00 0.00 70.33 68.37 2pkq n THR 297 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2pkq s MET 298 N 1.20 0.44 0.13 -2.82 0.23 -1.06 -4.93 119.30 112.49 2pkq s MET 298 Ca 0.85 0.03 0.08 0.00 -1.03 0.00 0.00 55.69 55.62 2pkq s MET 298 Cb -0.86 0.20 -0.04 0.00 -1.53 0.00 0.00 34.83 32.59 2pkq s MET 298 CO 0.46 -0.09 -0.12 0.08 -2.03 0.00 0.00 175.02 173.32 2pkq s VAL 299 N -0.60 3.14 -0.01 5.16 1.01 -1.26 -1.60 120.40 126.23 2pkq s VAL 299 Ca -0.07 -1.48 0.03 0.00 0.00 0.00 0.00 61.98 60.46 2pkq s VAL 299 Cb -0.04 -2.49 -0.00 0.00 0.00 0.00 0.00 36.38 33.85 2pkq s VAL 299 CO 0.02 0.03 -0.09 -0.04 0.00 0.00 0.00 175.10 175.01 2pkq s MET 300 N -2.40 0.85 -1.14 2.72 -1.94 0.27 -4.81 119.30 112.86 2pkq s MET 300 Ca 0.21 -0.33 0.00 0.00 -1.71 0.00 0.00 55.69 53.87 2pkq s MET 300 Cb -0.10 -0.81 0.00 0.00 2.01 0.00 0.00 34.83 35.93 2pkq s MET 300 CO 0.13 0.17 0.00 0.41 -0.01 0.00 0.00 175.02 175.72 2pkq n GLY 301 N 3.02 0.69 4.11 -0.03 0.00 -1.26 -1.61 105.19 110.11 2pkq n GLY 301 Ca -0.15 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.87 2pkq n GLY 301 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2pkq n ASP 302 N -0.63 0.00 0.00 1.61 8.00 -1.26 -4.69 116.55 119.58 2pkq n ASP 302 Ca -0.12 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.38 2pkq n ASP 302 Cb 0.42 -0.05 0.00 0.00 -0.02 0.00 0.00 41.12 41.48 2pkq n ASP 302 CO 0.00 0.00 0.00 -0.90 -0.39 0.00 0.00 177.20 175.91 2pkq n ASP 303 N 0.09 0.51 -4.44 -2.24 5.75 -0.99 0.01 116.55 115.25 2pkq n ASP 303 Ca 0.00 -0.39 -0.44 0.00 -0.01 0.00 0.00 54.79 53.95 2pkq n ASP 303 Cb 0.00 0.88 -0.08 0.00 -1.03 0.00 0.00 41.12 40.89 2pkq n ASP 303 CO 0.00 0.00 0.00 -0.32 -0.11 0.00 0.00 177.20 176.77 2pkq s MET 304 N -0.98 3.05 -0.14 0.11 1.75 -0.63 -0.38 119.30 122.07 2pkq s MET 304 Ca 0.00 -1.02 -0.06 0.00 -1.25 0.00 0.00 55.69 53.36 2pkq s MET 304 Cb 0.00 -4.06 -0.04 0.00 2.84 0.00 0.00 34.83 33.57 2pkq s MET 304 CO 0.00 -0.99 0.05 0.08 -0.65 0.00 0.00 175.02 173.51 2pkq s VAL 305 N 2.04 4.70 -0.06 10.11 1.01 0.12 -0.56 120.40 137.75 2pkq s VAL 305 Ca 0.09 -0.08 0.05 0.00 0.00 0.00 0.00 61.98 62.04 2pkq s VAL 305 Cb -0.20 -3.07 -0.01 0.00 0.00 0.00 0.00 36.38 33.10 2pkq s VAL 305 CO 0.10 0.53 -0.22 -0.75 0.00 0.00 0.00 175.10 174.76 2pkq s LYS 306 N -0.19 2.62 -0.04 2.72 2.20 -0.63 -1.23 119.74 125.20 2pkq s LYS 306 Ca 0.07 -0.85 0.01 0.00 -0.36 0.00 0.00 55.97 54.83 2pkq s LYS 306 Cb -0.12 -2.24 0.02 0.00 -1.51 0.00 0.00 37.83 33.98 2pkq s LYS 306 CO 0.01 0.41 -0.02 0.08 -0.36 0.00 0.00 175.35 175.47 2pkq s VAL 307 N -0.21 0.30 -0.00 4.02 1.01 -0.68 -2.57 120.40 122.28 2pkq s VAL 307 Ca -0.02 0.01 -0.04 0.00 0.00 0.00 0.00 61.98 61.94 2pkq s VAL 307 Cb -0.13 -0.38 -0.04 0.00 0.00 0.00 0.00 36.38 35.83 2pkq s VAL 307 CO 0.03 0.17 0.21 -0.63 0.00 0.00 0.00 175.10 174.89 2pkq s ILE 308 N 1.00 5.40 -0.14 2.22 -1.09 -1.26 -1.74 121.20 125.59 2pkq s ILE 308 Ca -0.10 -0.07 -0.08 0.00 -2.23 0.00 0.00 60.65 58.17 2pkq s ILE 308 Cb -0.14 -3.55 0.05 0.00 -1.58 0.00 0.00 42.46 37.25 2pkq s ILE 308 CO -0.01 0.33 0.35 0.00 -1.23 0.00 0.00 174.94 174.37 2pkq s ALA 309 N -1.33 -0.86 0.39 9.38 0.00 -0.34 -2.67 121.76 126.33 2pkq s ALA 309 Ca 0.28 1.32 0.01 0.00 0.00 0.00 0.00 51.96 53.57 2pkq s ALA 309 Cb -0.13 -0.81 -0.02 0.00 0.00 0.00 0.00 23.12 22.16 2pkq s ALA 309 CO 0.18 -0.24 0.60 -1.58 0.00 0.00 0.00 175.76 174.72 2pkq s TRP 310 N 1.34 3.35 -0.29 0.00 0.52 -0.12 -0.52 118.94 123.22 2pkq s TRP 310 Ca -0.09 0.26 -0.24 0.00 0.02 0.00 0.00 56.10 56.05 2pkq s TRP 310 Cb -0.09 -2.09 0.16 0.00 -1.15 0.00 0.00 33.47 30.30 2pkq s TRP 310 CO -0.11 -0.10 1.20 1.52 0.02 0.00 0.00 176.95 179.48 2pkq s TYR 311 N -2.41 -0.30 -0.91 -1.98 1.13 -0.33 -1.40 117.35 111.15 2pkq s TYR 311 Ca 0.44 0.70 -0.21 0.00 -1.41 0.00 0.00 57.07 56.59 2pkq s TYR 311 Cb -0.10 0.39 0.09 0.00 -1.10 0.00 0.00 41.96 41.24 2pkq s TYR 311 CO 0.37 -0.14 1.21 0.34 -2.51 0.00 0.00 175.55 174.81 2pkq s ASP 312 N 0.31 6.50 0.36 -0.18 -1.08 -1.26 -0.49 116.67 120.83 2pkq s ASP 312 Ca 0.03 -1.62 0.08 0.00 -0.52 0.00 0.00 52.55 50.51 2pkq s ASP 312 Cb -0.05 -2.46 0.43 0.00 -1.46 0.00 0.00 42.92 39.38 2pkq s ASP 312 CO -0.11 -1.30 1.09 -0.55 0.52 0.00 0.00 175.17 174.82 2pkq h ASN 313 N 9.30 0.00 0.00 -0.34 -1.07 -1.90 -2.27 115.58 119.29 2pkq h ASN 313 Ca 0.08 0.00 0.00 0.00 0.07 0.00 0.00 56.30 56.45 2pkq h ASN 313 Cb 1.03 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 37.28 2pkq h ASN 313 CO 1.22 0.00 -0.55 -0.62 0.07 0.00 0.00 177.43 177.55 2pkq n GLU 314 N -1.99 0.29 0.13 4.14 1.02 -1.26 -4.50 120.64 118.48 2pkq n GLU 314 Ca -0.01 0.12 -0.05 0.00 -0.02 0.00 0.00 57.16 57.20 2pkq n GLU 314 Cb 0.53 -0.98 -0.03 0.00 -0.02 0.00 0.00 31.44 30.95 2pkq n GLU 314 CO 0.00 0.00 0.00 2.35 1.18 0.00 0.00 177.13 180.66 2pkq h TRP 315 N -0.55 -0.33 -0.99 -0.32 2.91 -1.89 -1.53 115.95 113.25 2pkq h TRP 315 Ca 0.00 -0.01 0.32 0.00 1.13 0.00 0.00 58.89 60.33 2pkq h TRP 315 Cb 0.55 0.11 -0.15 0.00 -0.51 0.00 0.00 29.16 29.16 2pkq h TRP 315 CO -0.24 -0.21 0.52 0.78 -1.03 0.00 0.00 178.44 178.27 2pkq h GLY 316 N -0.48 2.00 0.74 2.65 0.00 -1.55 0.31 103.07 106.74 2pkq h GLY 316 Ca -0.04 -0.20 -0.02 0.00 0.00 0.00 0.00 47.33 47.08 2pkq h GLY 316 CO 0.06 -0.51 -0.18 -1.82 0.00 0.00 0.00 176.54 174.08 2pkq h TYR 317 N 0.27 -0.47 -0.60 5.60 3.20 -1.58 -2.33 116.97 121.06 2pkq h TYR 317 Ca 0.73 -0.01 0.11 0.00 3.14 0.00 0.00 58.73 62.69 2pkq h TYR 317 Cb 1.67 0.16 -0.12 0.00 1.54 0.00 0.00 36.73 39.98 2pkq h TYR 317 CO -0.05 -0.16 -0.30 0.77 -1.64 0.00 0.00 178.16 176.78 2pkq h SER 318 N -0.78 -1.06 -0.87 -2.11 0.02 0.49 1.19 113.55 110.43 2pkq h SER 318 Ca -0.05 0.22 0.25 0.00 -0.84 0.00 0.00 61.79 61.37 2pkq h SER 318 Cb 0.52 0.55 -0.04 0.00 0.14 0.00 0.00 62.40 63.57 2pkq h SER 318 CO 0.09 -0.29 0.63 1.56 -1.14 0.00 0.00 176.83 177.67 2pkq h GLN 319 N -0.14 0.01 0.01 3.45 1.08 -0.44 0.35 115.11 119.43 2pkq h GLN 319 Ca 0.25 -0.00 -0.00 0.00 -1.45 0.00 0.00 58.65 57.45 2pkq h GLN 319 Cb 0.54 -0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.97 2pkq h GLN 319 CO -0.68 0.01 -0.00 0.00 -0.95 0.00 0.00 178.83 177.20 2pkq h ARG 320 N 0.01 -0.01 -0.54 1.46 2.47 0.18 -1.78 114.38 116.17 2pkq h ARG 320 Ca 0.42 0.00 0.10 0.00 -1.26 0.00 0.00 59.98 59.24 2pkq h ARG 320 Cb 1.65 0.00 -0.11 0.00 -1.65 0.00 0.00 29.97 29.87 2pkq h ARG 320 CO -0.01 0.79 -0.28 0.28 0.56 0.00 0.00 179.97 181.31 2pkq h VAL 321 N -0.84 0.24 -0.39 2.04 2.07 0.28 0.32 116.25 119.98 2pkq h VAL 321 Ca -0.00 0.00 0.04 0.00 0.82 0.00 0.00 66.70 67.56 2pkq h VAL 321 Cb 0.80 0.24 -0.04 0.00 -1.52 0.00 0.00 31.29 30.77 2pkq h VAL 321 CO 0.00 0.00 0.15 0.58 0.02 0.00 0.00 177.57 178.32 2pkq h VAL 322 N -0.15 0.90 -0.39 2.57 2.07 -0.55 -0.18 116.25 120.53 2pkq h VAL 322 Ca 0.23 -0.11 0.06 0.00 0.82 0.00 0.00 66.70 67.70 2pkq h VAL 322 Cb 0.52 0.56 -0.02 0.00 -1.52 0.00 0.00 31.29 30.83 2pkq h VAL 322 CO -0.62 0.06 0.27 0.44 0.02 0.00 0.00 177.57 177.73 2pkq h ASP 323 N 0.32 0.24 0.06 0.57 3.45 0.02 1.64 116.42 122.71 2pkq h ASP 323 Ca 0.18 0.00 -0.00 0.00 0.43 0.00 0.00 57.03 57.63 2pkq h ASP 323 Cb 0.14 -0.05 0.00 0.00 -0.56 0.00 0.00 39.33 38.86 2pkq h ASP 323 CO -0.17 0.16 -0.03 0.25 -1.57 0.00 0.00 179.24 177.88 2pkq h LEU 324 N 0.27 -0.07 -1.48 1.55 5.85 0.56 -1.86 115.31 120.13 2pkq h LEU 324 Ca 0.17 -0.55 -0.00 0.00 0.84 0.00 0.00 57.88 58.34 2pkq h LEU 324 Cb 0.34 0.02 -0.02 0.00 0.37 0.00 0.00 40.66 41.37 2pkq h LEU 324 CO -0.04 0.57 0.29 0.00 -0.34 0.00 0.00 178.44 178.92 2pkq h ALA 325 N 0.02 1.61 -0.65 1.25 0.00 -0.53 0.32 119.26 121.28 2pkq h ALA 325 Ca -0.01 -0.06 0.06 0.00 0.00 0.00 0.00 54.91 54.90 2pkq h ALA 325 Cb 0.62 -0.19 -0.04 0.00 0.00 0.00 0.00 17.79 18.18 2pkq h ALA 325 CO 0.01 0.34 0.43 0.22 0.00 0.00 0.00 179.25 180.26 2pkq h ASP 326 N 0.65 0.60 0.01 0.00 3.58 0.25 -2.22 116.42 119.28 2pkq h ASP 326 Ca 0.17 -0.00 -0.00 0.00 0.42 0.00 0.00 57.03 57.62 2pkq h ASP 326 Cb -0.03 -0.13 0.00 0.00 1.72 0.00 0.00 39.33 40.89 2pkq h ASP 326 CO -0.03 0.40 -0.00 0.40 -2.88 0.00 0.00 179.24 177.12 2pkq h ILE 327 N 0.69 1.54 -1.12 2.25 2.04 0.42 -3.22 117.51 120.11 2pkq h ILE 327 Ca 0.28 -1.74 0.31 0.00 1.00 0.00 0.00 64.86 64.71 2pkq h ILE 327 Cb 0.22 2.71 -0.09 0.00 -0.74 0.00 0.00 36.82 38.91 2pkq h ILE 327 CO -0.08 0.44 0.73 0.58 0.00 0.00 0.00 178.15 179.82 2pkq h VAL 328 N -0.77 0.43 -0.55 1.67 2.07 -0.59 0.70 116.25 119.21 2pkq h VAL 328 Ca -0.00 -0.10 -0.07 0.00 0.82 0.00 0.00 66.70 67.35 2pkq h VAL 328 Cb 0.74 0.12 -0.02 0.00 -1.52 0.00 0.00 31.29 30.61 2pkq h VAL 328 CO 0.00 0.05 0.05 0.00 0.02 0.00 0.00 177.57 177.70 2pkq h ALA 329 N 1.59 1.07 -2.29 1.67 0.00 -1.45 -3.34 119.26 116.50 2pkq h ALA 329 Ca 0.64 -0.26 -0.47 0.00 0.00 0.00 0.00 54.91 54.82 2pkq h ALA 329 Cb 1.82 -0.22 0.06 0.00 0.00 0.00 0.00 17.79 19.46 2pkq h ALA 329 CO -0.28 0.60 0.20 -0.80 0.00 0.00 0.00 179.25 178.96 2pkq s ASN 330 N -6.59 5.36 -1.62 0.00 0.01 0.24 -3.98 114.94 108.37 2pkq s ASN 330 Ca -0.10 0.66 -0.13 0.00 -0.71 0.00 0.00 52.86 52.57 2pkq s ASN 330 Cb 0.15 -1.54 0.11 0.00 0.41 0.00 0.00 41.25 40.38 2pkq s ASN 330 CO 0.82 -1.23 0.71 0.29 -1.51 0.00 0.00 177.10 176.18 2pkq n LYS 331 N -2.70 -3.40 -4.06 -0.60 5.02 -1.26 -4.85 118.16 106.30 2pkq n LYS 331 Ca 0.06 0.40 -0.32 0.00 -2.02 0.00 0.00 58.31 56.43 2pkq n LYS 331 Cb 0.58 -4.98 -0.16 0.00 -0.02 0.00 0.00 35.03 30.45 2pkq n LYS 331 CO 0.00 0.00 0.00 -0.46 -0.52 0.00 0.00 177.40 176.42 2pkq s TRP 332 N -3.47 2.60 -0.19 2.13 -0.11 -1.25 -4.23 118.94 114.42 2pkq s TRP 332 Ca 0.55 -1.60 -0.17 0.00 1.22 0.00 0.00 56.10 56.10 2pkq s TRP 332 Cb -0.30 -1.78 -0.07 0.00 -1.50 0.00 0.00 33.47 29.83 2pkq s TRP 332 CO 0.91 -0.77 -0.34 0.00 -4.62 0.00 0.00 176.95 172.13 2pkq n GLN 333 N 4.65 0.53 0.00 5.86 0.00 -1.26 -5.08 117.38 122.08 2pkq n GLN 333 Ca -0.18 0.21 0.15 0.00 0.00 0.00 0.00 57.00 57.18 2pkq n GLN 333 Cb 0.48 -1.42 0.87 0.00 0.00 0.00 0.00 30.24 30.17 2pkq n GLN 333 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06