#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 1.99 -0.04 -0.35 2.96 0.32 -5.05 118.68 118.51 2pkq s LEU 1 Ca 0.00 -0.53 -0.30 0.00 -0.22 0.00 0.00 54.13 53.08 2pkq s LEU 1 Cb 0.00 -1.32 -0.03 0.00 0.50 0.00 0.00 46.19 45.34 2pkq s LEU 1 CO 0.00 0.09 1.13 -0.54 -1.32 0.00 0.00 176.35 175.71 2pkq s LYS 2 N 0.69 4.40 0.01 1.98 1.02 -1.26 -1.25 119.74 125.33 2pkq s LYS 2 Ca -0.11 1.60 0.09 0.00 0.02 0.00 0.00 55.97 57.56 2pkq s LYS 2 Cb -0.16 -3.51 -0.02 0.00 -0.52 0.00 0.00 37.83 33.62 2pkq s LYS 2 CO 0.02 -0.34 -0.26 0.08 -0.92 0.00 0.00 175.35 173.93 2pkq s VAL 3 N 1.84 2.11 0.18 3.17 1.01 0.00 -1.15 120.40 127.56 2pkq s VAL 3 Ca 0.54 -1.23 0.10 0.00 0.00 0.00 0.00 61.98 61.39 2pkq s VAL 3 Cb -0.24 -1.77 -0.04 0.00 0.00 0.00 0.00 36.38 34.33 2pkq s VAL 3 CO 0.23 0.48 -0.16 0.00 0.00 0.00 0.00 175.10 175.66 2pkq s ALA 4 N -0.70 2.77 -0.28 5.51 0.00 0.28 -1.24 121.76 128.11 2pkq s ALA 4 Ca 0.11 -1.54 0.01 0.00 0.00 0.00 0.00 51.96 50.54 2pkq s ALA 4 Cb -0.10 -0.57 0.08 0.00 0.00 0.00 0.00 23.12 22.54 2pkq s ALA 4 CO 0.00 0.45 0.02 0.42 0.00 0.00 0.00 175.76 176.66 2pkq s ILE 5 N -1.68 1.48 -0.53 0.00 1.01 -0.58 -1.60 121.20 119.30 2pkq s ILE 5 Ca 0.23 -1.52 -0.19 0.00 0.00 0.00 0.00 60.65 59.17 2pkq s ILE 5 Cb -0.08 -1.95 0.07 0.00 0.01 0.00 0.00 42.46 40.51 2pkq s ILE 5 CO 0.13 -0.39 0.63 0.21 0.00 0.00 0.00 174.94 175.52 2pkq s ASN 6 N 1.36 6.21 0.00 3.58 2.47 -0.88 -1.42 114.94 126.25 2pkq s ASN 6 Ca 0.03 -1.10 0.00 0.00 0.42 0.00 0.00 52.86 52.21 2pkq s ASN 6 Cb -0.18 -2.28 0.00 0.00 -1.45 0.00 0.00 41.25 37.33 2pkq s ASN 6 CO -0.12 -0.94 0.00 0.61 -3.72 0.00 0.00 177.10 172.93 2pkq n GLY 7 N 5.21 1.27 2.85 1.21 0.00 -1.19 -0.95 105.19 113.58 2pkq n GLY 7 Ca -0.08 -0.67 -0.42 0.00 0.00 0.00 0.00 46.02 44.85 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 0.02 2.66 -4.03 1.61 7.35 -1.26 -4.05 117.46 119.77 2pkq n PHE 8 Ca 0.00 -2.71 -0.11 0.00 -0.76 0.00 0.00 57.45 53.87 2pkq n PHE 8 Cb 0.00 -1.69 -0.11 0.00 0.35 0.00 0.00 39.48 38.03 2pkq n PHE 8 CO 0.00 0.00 0.00 0.20 -0.76 0.00 0.00 176.76 176.20 2pkq s GLY 9 N -0.11 0.38 0.00 7.13 0.00 -1.26 -4.73 107.32 108.73 2pkq s GLY 9 Ca 0.38 -0.67 0.00 0.00 0.00 0.00 0.00 44.72 44.44 2pkq s GLY 9 CO 0.02 -0.72 0.00 0.54 0.00 0.00 0.00 173.10 172.94 2pkq n ARG 10 N 1.57 0.00 -0.29 2.90 5.12 -1.26 0.16 116.66 124.87 2pkq n ARG 10 Ca -0.23 0.00 0.06 0.00 -1.93 0.00 0.00 57.85 55.75 2pkq n ARG 10 Cb 0.55 0.00 0.27 0.00 -1.16 0.00 0.00 32.46 32.12 2pkq n ARG 10 CO 0.00 0.00 0.00 0.97 -1.93 0.00 0.00 177.63 176.67 2pkq h ILE 11 N 0.00 1.01 -0.10 0.55 6.09 -1.92 1.82 117.51 124.96 2pkq h ILE 11 Ca 0.00 -0.32 -0.21 0.00 -1.37 0.00 0.00 64.86 62.96 2pkq h ILE 11 Cb 0.00 -0.02 0.01 0.00 0.47 0.00 0.00 36.82 37.28 2pkq h ILE 11 CO 0.00 0.17 -0.75 1.23 -3.07 0.00 0.00 178.15 175.73 2pkq h GLY 12 N 0.94 0.75 1.14 8.18 0.00 0.15 -0.35 103.07 113.89 2pkq h GLY 12 Ca 0.40 -1.13 -0.20 0.00 0.00 0.00 0.00 47.33 46.40 2pkq h GLY 12 CO -0.17 1.01 -0.63 3.21 0.00 0.00 0.00 176.54 179.96 2pkq h ARG 13 N 0.36 0.83 -0.38 4.80 3.08 -1.37 -1.69 114.38 120.01 2pkq h ARG 13 Ca -0.07 -0.59 0.01 0.00 0.07 0.00 0.00 59.98 59.41 2pkq h ARG 13 Cb 1.40 0.09 -0.02 0.00 0.08 0.00 0.00 29.97 31.52 2pkq h ARG 13 CO 0.15 1.21 0.25 -0.91 -1.07 0.00 0.00 179.97 179.61 2pkq h ASN 14 N 0.60 0.40 0.00 7.04 2.35 0.28 -1.12 115.58 125.13 2pkq h ASN 14 Ca -0.01 -0.01 0.00 0.00 -0.55 0.00 0.00 56.30 55.73 2pkq h ASN 14 Cb 1.25 -0.10 0.00 0.00 0.05 0.00 0.00 38.32 39.53 2pkq h ASN 14 CO 0.14 0.29 0.00 0.33 -1.65 0.00 0.00 177.43 176.53 2pkq n PHE 15 N -4.48 0.00 -0.27 1.19 7.35 -0.14 -1.37 117.46 119.73 2pkq n PHE 15 Ca 0.03 0.00 0.12 0.00 -0.76 0.00 0.00 57.45 56.84 2pkq n PHE 15 Cb 0.10 -0.29 0.24 0.00 0.35 0.00 0.00 39.48 39.88 2pkq n PHE 15 CO 0.00 0.00 0.00 -0.11 -0.76 0.00 0.00 176.76 175.89 2pkq n LEU 16 N -1.37 -0.07 0.17 -2.13 0.00 -0.69 0.14 117.00 113.05 2pkq n LEU 16 Ca 0.00 1.33 -0.14 0.00 0.00 0.00 0.00 56.01 57.20 2pkq n LEU 16 Cb 0.00 -0.49 -0.08 0.00 0.00 0.00 0.00 43.42 42.85 2pkq n LEU 16 CO 0.00 -1.35 0.72 0.03 0.00 0.00 0.00 177.39 176.78 2pkq h ARG 17 N 0.00 -0.37 -0.63 1.96 2.47 -1.18 -0.97 114.38 115.66 2pkq h ARG 17 Ca 0.48 0.03 0.13 0.00 -1.26 0.00 0.00 59.98 59.36 2pkq h ARG 17 Cb 1.02 0.08 -0.12 0.00 -1.65 0.00 0.00 29.97 29.31 2pkq h ARG 17 CO -0.73 -0.18 -0.10 0.00 0.56 0.00 0.00 179.97 179.52 2pkq h TRP 18 N 0.03 0.52 0.00 0.00 7.01 -0.92 -3.36 115.95 119.24 2pkq h TRP 18 Ca 0.31 -0.03 0.00 0.00 2.11 0.00 0.00 58.89 61.29 2pkq h TRP 18 Cb 0.50 -0.16 0.00 0.00 -2.10 0.00 0.00 29.16 27.40 2pkq h TRP 18 CO -0.47 0.44 0.00 1.58 -2.79 0.00 0.00 178.44 177.21 2pkq n HIS 18 N -4.72 0.00 -1.78 2.65 -0.00 -0.38 -3.19 115.22 107.79 2pkq n HIS 18 Ca -0.01 0.00 -0.26 0.00 0.46 0.00 0.00 57.72 57.92 2pkq n HIS 18 Cb 0.11 0.00 -0.08 0.00 -0.12 0.00 0.00 29.99 29.90 2pkq n HIS 18 CO 0.00 0.00 0.00 0.41 0.46 0.00 0.00 176.34 177.21 2pkq n GLY 19 N -0.70 0.65 3.18 1.57 0.00 -1.21 -4.82 105.19 103.85 2pkq n GLY 19 Ca 0.00 -0.50 -0.11 0.00 0.00 0.00 0.00 46.02 45.41 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 7.03 0.95 0.00 1.61 1.81 -1.19 -4.96 118.95 124.20 2pkq s ARG 20 Ca 0.72 -1.44 0.00 0.00 -1.72 0.00 0.00 55.73 53.29 2pkq s ARG 20 Cb -0.00 -0.01 0.00 0.00 -0.45 0.00 0.00 34.95 34.49 2pkq s ARG 20 CO 0.16 -0.16 0.81 1.63 -0.68 0.00 0.00 175.30 177.06 2pkq n LYS 21 N -0.12 0.00 -2.67 3.54 5.02 -1.26 -4.69 118.16 117.97 2pkq n LYS 21 Ca -0.08 0.68 -0.04 0.00 -2.02 0.00 0.00 58.31 56.85 2pkq n LYS 21 Cb 0.63 -1.31 0.06 0.00 -0.02 0.00 0.00 35.03 34.38 2pkq n LYS 21 CO 0.00 0.00 0.00 -0.40 -0.52 0.00 0.00 177.40 176.48 2pkq n ASP 22 N -2.03 -1.37 -4.51 4.39 5.75 -1.26 -5.15 116.55 112.37 2pkq n ASP 22 Ca 0.00 -2.01 -0.49 0.00 -0.01 0.00 0.00 54.79 52.28 2pkq n ASP 22 Cb 0.00 1.15 -0.04 0.00 -1.03 0.00 0.00 41.12 41.20 2pkq n ASP 22 CO 0.00 0.00 0.00 -1.20 -0.11 0.00 0.00 177.20 175.89 2pkq n SER 23 N -0.09 0.32 0.17 -1.12 7.64 -1.26 -4.81 113.62 114.47 2pkq n SER 23 Ca -0.14 1.15 0.13 0.00 1.01 0.00 0.00 58.87 61.02 2pkq n SER 23 Cb 0.72 -1.10 0.57 0.00 -1.01 0.00 0.00 64.21 63.38 2pkq n SER 23 CO 0.00 0.00 0.00 -0.65 -3.01 0.00 0.00 175.04 171.38 2pkq h PRO 24 N 2.32 0.00 -7.29 1.43 0.11 -1.94 -3.44 132.00 123.19 2pkq h PRO 24 Ca -0.39 0.00 -0.51 0.00 0.11 0.00 0.00 66.00 65.21 2pkq h PRO 24 Cb 1.39 0.00 0.11 0.00 0.11 0.00 0.00 31.00 32.60 2pkq h PRO 24 CO 0.63 0.00 0.35 -0.51 -0.21 0.00 0.00 178.00 178.27 2pkq s LEU 25 N -4.84 3.19 -0.35 2.35 2.01 -1.26 -0.52 118.68 119.26 2pkq s LEU 25 Ca 0.02 1.78 0.06 0.00 0.01 0.00 0.00 54.13 56.00 2pkq s LEU 25 Cb 0.09 -4.52 0.18 0.00 0.01 0.00 0.00 46.19 41.95 2pkq s LEU 25 CO 0.39 -1.66 0.55 -0.62 1.01 0.00 0.00 176.35 176.02 2pkq s ASP 26 N -3.31 -0.90 0.05 2.29 2.15 -0.38 -4.61 116.67 111.97 2pkq s ASP 26 Ca 0.61 -0.55 -0.30 0.00 0.43 0.00 0.00 52.55 52.74 2pkq s ASP 26 Cb -0.16 1.66 -0.08 0.00 -0.30 0.00 0.00 42.92 44.03 2pkq s ASP 26 CO 0.51 -0.25 1.78 -0.69 -0.17 0.00 0.00 175.17 176.34 2pkq s VAL 27 N 2.19 3.01 0.00 1.11 1.01 -1.26 -0.82 120.40 125.64 2pkq s VAL 27 Ca 0.13 0.30 0.00 0.00 0.00 0.00 0.00 61.98 62.42 2pkq s VAL 27 Cb -0.09 -3.20 0.00 0.00 0.00 0.00 0.00 36.38 33.10 2pkq s VAL 27 CO -0.16 -0.01 0.04 1.33 0.00 0.00 0.00 175.10 176.30 2pkq n VAL 28 N 5.08 0.00 -3.62 2.92 0.24 -0.37 -4.86 118.33 117.72 2pkq n VAL 28 Ca 0.18 -0.40 -0.16 0.00 -2.04 0.00 0.00 64.34 61.91 2pkq n VAL 28 Cb 0.40 1.02 -0.07 0.00 -1.47 0.00 0.00 33.84 33.72 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 -0.74 0.01 0.09 3.34 0.11 -1.24 -1.22 120.40 120.76 2pkq s VAL 29 Ca 0.00 -0.11 0.06 0.00 -2.93 0.00 0.00 61.98 59.00 2pkq s VAL 29 Cb 0.00 -0.87 -0.03 0.00 -1.53 0.00 0.00 36.38 33.95 2pkq s VAL 29 CO 0.00 -0.06 -0.16 -0.69 -3.33 0.00 0.00 175.10 170.86 2pkq s VAL 30 N -0.81 1.33 -0.66 2.04 1.01 -0.84 -1.53 120.40 120.93 2pkq s VAL 30 Ca -0.09 -1.47 0.05 0.00 0.00 0.00 0.00 61.98 60.47 2pkq s VAL 30 Cb -0.02 -1.32 0.19 0.00 0.00 0.00 0.00 36.38 35.23 2pkq s VAL 30 CO 0.06 -0.23 0.54 -3.20 0.00 0.00 0.00 175.10 172.28 2pkq n ASN 31 N 1.04 2.87 -4.38 3.32 5.15 -0.51 -1.44 115.26 121.31 2pkq n ASN 31 Ca -0.19 -3.19 -0.39 0.00 -0.60 0.00 0.00 54.58 50.21 2pkq n ASN 31 Cb 0.55 -0.72 -0.12 0.00 -0.53 0.00 0.00 39.78 38.96 2pkq n ASN 31 CO 0.00 0.00 0.00 -0.62 1.40 0.00 0.00 177.26 178.04 2pkq s ASP 32 N -1.58 5.46 -0.31 1.20 -1.08 -1.19 -3.17 116.67 115.99 2pkq s ASP 32 Ca 0.29 -0.76 -0.18 0.00 -0.52 0.00 0.00 52.55 51.37 2pkq s ASP 32 Cb 0.01 -1.96 -0.20 0.00 -1.46 0.00 0.00 42.92 39.32 2pkq s ASP 32 CO -0.14 -0.26 1.61 -1.20 0.52 0.00 0.00 175.17 175.71 2pkq n SER 33 N 4.94 1.67 0.00 -0.34 7.64 -1.26 -2.83 113.62 123.44 2pkq n SER 33 Ca -0.13 -2.41 0.00 0.00 1.01 0.00 0.00 58.87 57.34 2pkq n SER 33 Cb 0.47 -0.73 0.00 0.00 -1.01 0.00 0.00 64.21 62.94 2pkq n SER 33 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2pkq n GLY 34 N 4.49 0.66 0.49 0.23 0.00 -1.26 -5.10 105.19 104.71 2pkq n GLY 34 Ca 0.37 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.39 2pkq n GLY 34 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2pkq n GLY 36 N 0.00 -2.92 0.25 -0.02 0.00 -1.13 -3.60 105.19 97.77 2pkq n GLY 36 Ca 0.00 -1.74 -0.05 0.00 0.00 0.00 0.00 46.02 44.23 2pkq n GLY 36 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 2pkq h VAL 37 N 0.00 1.27 0.00 1.61 2.07 -1.91 -1.88 116.25 117.41 2pkq h VAL 37 Ca 0.00 -1.27 0.00 0.00 0.82 0.00 0.00 66.70 66.25 2pkq h VAL 37 Cb 0.00 1.26 0.00 0.00 -1.52 0.00 0.00 31.29 31.03 2pkq h VAL 37 CO 0.00 0.41 0.00 2.29 0.02 0.00 0.00 177.57 180.29 2pkq n LYS 38 N -4.13 0.00 -0.21 1.57 2.85 -1.26 0.20 118.16 117.18 2pkq n LYS 38 Ca 0.00 0.21 0.31 0.00 -1.05 0.00 0.00 58.31 57.78 2pkq n LYS 38 Cb 0.41 -1.18 0.72 0.00 -0.65 0.00 0.00 35.03 34.33 2pkq n LYS 38 CO 0.00 0.00 0.00 1.03 -0.05 0.00 0.00 177.40 178.38 2pkq h SER 39 N 0.00 0.00 0.82 -5.58 0.87 -1.64 0.38 113.55 108.40 2pkq h SER 39 Ca 0.00 0.00 -0.23 0.00 -1.23 0.00 0.00 61.79 60.33 2pkq h SER 39 Cb 0.00 0.00 -0.04 0.00 -0.44 0.00 0.00 62.40 61.92 2pkq h SER 39 CO 0.00 0.00 -1.26 0.00 -0.53 0.00 0.00 176.83 175.04 2pkq h ALA 40 N 1.38 0.54 0.06 6.23 0.00 -1.25 -3.30 119.26 122.92 2pkq h ALA 40 Ca 0.47 -1.10 -0.00 0.00 0.00 0.00 0.00 54.91 54.27 2pkq h ALA 40 Cb 2.01 0.11 0.00 0.00 0.00 0.00 0.00 17.79 19.91 2pkq h ALA 40 CO -0.00 1.34 -0.03 1.15 0.00 0.00 0.00 179.25 181.71 2pkq h THR 41 N 0.00 0.00 -0.57 0.00 2.02 0.40 -3.24 112.91 111.53 2pkq h THR 41 Ca -0.12 -0.19 0.06 0.00 0.77 0.00 0.00 66.41 66.93 2pkq h THR 41 Cb 1.84 0.00 -0.07 0.00 -1.74 0.00 0.00 68.15 68.18 2pkq h THR 41 CO 0.10 0.00 -0.32 1.57 0.37 0.00 0.00 175.52 177.25 2pkq n HIS 42 N -2.74 -0.21 0.28 3.16 -0.00 -0.51 0.17 115.22 115.37 2pkq n HIS 42 Ca -0.01 0.71 0.07 0.00 -0.00 0.00 0.00 57.72 58.48 2pkq n HIS 42 Cb 0.03 -0.57 0.30 0.00 -0.00 0.00 0.00 29.99 29.75 2pkq n HIS 42 CO 0.00 0.00 0.00 1.28 -0.00 0.00 0.00 176.34 177.62 2pkq n LEU 43 N -4.73 0.21 -0.00 0.27 4.77 -1.24 -0.57 117.00 115.72 2pkq n LEU 43 Ca 0.02 0.57 -0.05 0.00 -0.03 0.00 0.00 56.01 56.52 2pkq n LEU 43 Cb 0.16 -0.56 -0.12 0.00 -2.33 0.00 0.00 43.42 40.57 2pkq n LEU 43 CO -0.09 -0.49 -0.44 -0.11 -1.33 0.00 0.00 177.39 174.93 2pkq n LEU 44 N -1.76 0.85 0.02 2.23 7.94 0.45 -4.34 117.00 122.40 2pkq n LEU 44 Ca 0.01 0.39 -0.22 0.00 -1.11 0.00 0.00 56.01 55.09 2pkq n LEU 44 Cb 0.11 0.14 -0.14 0.00 0.53 0.00 0.00 43.42 44.06 2pkq n LEU 44 CO 0.10 0.29 -0.40 0.50 -1.11 0.00 0.00 177.39 176.78 2pkq h LYS 45 N 0.00 0.27 -4.87 1.96 1.63 -0.23 -3.39 116.57 111.93 2pkq h LYS 45 Ca -0.24 -0.46 -0.67 0.00 -0.85 0.00 0.00 60.65 58.42 2pkq h LYS 45 Cb 1.85 0.17 -0.33 0.00 -0.60 0.00 0.00 32.23 33.32 2pkq h LYS 45 CO 0.06 1.22 -0.74 0.71 -3.45 0.00 0.00 179.45 177.25 2pkq s TYR 46 N -2.49 3.13 -0.10 1.91 2.02 0.26 0.95 117.35 123.04 2pkq s TYR 46 Ca -0.19 -1.72 0.01 0.00 -0.37 0.00 0.00 57.07 54.81 2pkq s TYR 46 Cb 0.04 -2.05 0.02 0.00 -0.40 0.00 0.00 41.96 39.57 2pkq s TYR 46 CO 0.78 -0.77 -0.13 0.34 -1.57 0.00 0.00 175.55 174.20 2pkq s ASP 47 N 1.28 2.27 0.59 2.29 -1.08 -1.26 -4.47 116.67 116.29 2pkq s ASP 47 Ca -0.02 -0.39 0.35 0.00 -0.52 0.00 0.00 52.55 51.98 2pkq s ASP 47 Cb -0.18 -1.00 1.82 0.00 -1.46 0.00 0.00 42.92 42.10 2pkq s ASP 47 CO -0.04 -0.00 2.18 0.28 0.52 0.00 0.00 175.17 178.10 2pkq h SER 48 N 7.45 0.00 0.00 -0.34 0.02 -1.94 0.57 113.55 119.31 2pkq h SER 48 Ca -0.31 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.64 2pkq h SER 48 Cb 1.17 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.71 2pkq h SER 48 CO 0.48 0.04 -1.60 -0.38 -1.14 0.00 0.00 176.83 174.23 2pkq n ILE 49 N -3.32 0.00 -0.01 3.27 5.41 -1.26 -4.61 119.36 118.84 2pkq n ILE 49 Ca -0.02 -0.30 0.04 0.00 1.00 0.00 0.00 62.75 63.47 2pkq n ILE 49 Cb 0.18 0.20 -0.07 0.00 -0.71 0.00 0.00 39.64 39.24 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 -1.95 0.00 0.00 1.39 4.77 -1.19 -4.98 117.00 115.03 2pkq n LEU 50 Ca -0.02 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.96 2pkq n LEU 50 Cb 0.34 0.02 0.00 0.00 -2.33 0.00 0.00 43.42 41.46 2pkq n LEU 50 CO 0.28 0.02 0.00 0.61 -1.33 0.00 0.00 177.39 176.97 2pkq n GLY 51 N 2.04 -1.91 1.37 -0.72 0.00 0.20 -4.91 105.19 101.26 2pkq n GLY 51 Ca -0.03 -1.36 -0.25 0.00 0.00 0.00 0.00 46.02 44.38 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 -0.82 0.00 -1.98 2.61 -1.04 -1.26 -4.35 114.28 107.44 2pkq n THR 52 Ca 0.00 0.00 -0.42 0.00 -2.04 0.00 0.00 64.05 61.59 2pkq n THR 52 Cb 0.00 -0.19 -0.03 0.00 -1.82 0.00 0.00 70.33 68.30 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 1.23 2.54 -1.27 -1.42 5.36 0.27 -4.92 117.98 119.77 2pkq s PHE 53 Ca 0.40 0.43 -0.18 0.00 -0.96 0.00 0.00 56.93 56.62 2pkq s PHE 53 Cb -0.56 -3.91 0.01 0.00 -0.34 0.00 0.00 43.02 38.22 2pkq s PHE 53 CO 0.30 -3.59 1.96 1.63 -1.46 0.00 0.00 175.22 174.06 2pkq n LYS 54 N 5.45 2.62 0.00 10.12 5.02 -1.26 -4.86 118.16 135.25 2pkq n LYS 54 Ca 0.15 -2.74 0.00 0.00 -2.02 0.00 0.00 58.31 53.71 2pkq n LYS 54 Cb 0.41 -3.38 0.00 0.00 -0.02 0.00 0.00 35.03 32.04 2pkq n LYS 54 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2pkq n ALA 55 N 8.32 0.00 -1.57 7.82 0.00 -1.26 -5.11 120.51 128.71 2pkq n ALA 55 Ca 0.50 0.00 -0.44 0.00 0.00 0.00 0.00 53.44 53.49 2pkq n ALA 55 Cb 0.43 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 19.84 2pkq n ALA 55 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 2pkq n ASP 56 N 0.00 3.04 -4.08 0.00 9.92 -1.26 -4.86 116.55 119.30 2pkq n ASP 56 Ca 0.00 0.23 -0.34 0.00 -0.53 0.00 0.00 54.79 54.15 2pkq n ASP 56 Cb 0.00 -1.50 -0.13 0.00 -0.64 0.00 0.00 41.12 38.85 2pkq n ASP 56 CO 0.00 0.00 0.00 -0.69 0.13 0.00 0.00 177.20 176.64 2pkq s VAL 57 N 8.19 2.88 0.22 2.53 1.01 -1.26 -0.30 120.40 133.68 2pkq s VAL 57 Ca 1.03 -2.16 0.09 0.00 0.00 0.00 0.00 61.98 60.94 2pkq s VAL 57 Cb -0.43 -3.02 -0.04 0.00 0.00 0.00 0.00 36.38 32.89 2pkq s VAL 57 CO 0.38 -0.64 -0.06 -0.75 0.00 0.00 0.00 175.10 174.02 2pkq s LYS 58 N 1.05 2.13 -0.62 2.72 2.47 -0.74 -4.91 119.74 121.83 2pkq s LYS 58 Ca 0.09 -1.35 -0.20 0.00 -1.56 0.00 0.00 55.97 52.95 2pkq s LYS 58 Cb -0.21 -2.14 0.10 0.00 -1.46 0.00 0.00 37.83 34.11 2pkq s LYS 58 CO -0.06 0.40 0.79 0.42 0.16 0.00 0.00 175.35 177.06 2pkq s ILE 59 N -1.99 4.69 0.33 5.43 1.01 -1.26 -0.12 121.20 129.29 2pkq s ILE 59 Ca 0.28 -0.86 0.01 0.00 0.00 0.00 0.00 60.65 60.08 2pkq s ILE 59 Cb -0.08 -4.55 -0.03 0.00 0.01 0.00 0.00 42.46 37.81 2pkq s ILE 59 CO 0.17 -1.23 0.52 -0.63 0.00 0.00 0.00 174.94 173.77 2pkq s ILE 60 N 3.03 5.13 0.00 2.92 1.01 -0.98 -4.95 121.20 127.37 2pkq s ILE 60 Ca 0.15 -0.54 0.00 0.00 0.00 0.00 0.00 60.65 60.25 2pkq s ILE 60 Cb -0.22 -3.86 0.00 0.00 0.01 0.00 0.00 42.46 38.39 2pkq s ILE 60 CO 0.07 -0.52 0.00 -0.67 0.00 0.00 0.00 174.94 173.82 2pkq n ASP 60 N -1.72 -2.41 -0.46 3.58 -0.08 -1.26 -2.62 116.55 111.59 2pkq n ASP 60 Ca -0.05 0.00 0.05 0.00 -1.51 0.00 0.00 54.79 53.27 2pkq n ASP 60 Cb 0.56 0.00 0.08 0.00 2.34 0.00 0.00 41.12 44.10 2pkq n ASP 60 CO 0.00 0.00 0.00 -3.20 0.12 0.00 0.00 177.20 174.12 2pkq n ASN 61 N -3.48 2.20 -2.70 1.67 5.15 -1.26 -4.55 115.26 112.28 2pkq n ASN 61 Ca 0.00 -1.64 -0.07 0.00 -0.60 0.00 0.00 54.58 52.28 2pkq n ASN 61 Cb 0.00 -0.08 0.10 0.00 -0.53 0.00 0.00 39.78 39.28 2pkq n ASN 61 CO 0.00 0.00 0.00 -1.84 1.40 0.00 0.00 177.26 176.82 2pkq n GLU 62 N 0.49 1.07 -2.70 1.20 0.28 -1.26 -4.62 120.64 115.10 2pkq n GLU 62 Ca 0.07 -1.73 -0.04 0.00 -0.16 0.00 0.00 57.16 55.30 2pkq n GLU 62 Cb 0.31 -0.19 0.04 0.00 1.43 0.00 0.00 31.44 33.02 2pkq n GLU 62 CO 0.00 0.00 0.00 2.41 -0.16 0.00 0.00 177.13 179.38 2pkq n THR 63 N -0.43 0.00 -1.52 3.84 -1.04 -1.08 -2.87 114.28 111.19 2pkq n THR 63 Ca -0.04 -0.70 -0.29 0.00 -2.04 0.00 0.00 64.05 60.98 2pkq n THR 63 Cb 0.81 0.95 0.17 0.00 -1.82 0.00 0.00 70.33 70.44 2pkq n THR 63 CO 0.00 0.00 0.00 0.72 -0.64 0.00 0.00 175.07 175.15 2pkq s PHE 64 N 0.71 1.80 -0.08 -1.42 -0.12 -1.00 -2.30 117.98 115.56 2pkq s PHE 64 Ca 0.27 0.64 -0.04 0.00 -0.05 0.00 0.00 56.93 57.75 2pkq s PHE 64 Cb 0.13 -3.58 0.04 0.00 -0.63 0.00 0.00 43.02 38.99 2pkq s PHE 64 CO -0.11 -2.81 0.19 -1.54 -0.05 0.00 0.00 175.22 170.90 2pkq s SER 65 N -4.20 -0.18 -0.88 1.98 1.04 0.83 -0.77 113.70 111.52 2pkq s SER 65 Ca 0.68 0.40 -0.14 0.00 0.48 0.00 0.00 55.95 57.38 2pkq s SER 65 Cb -0.11 0.29 0.22 0.00 0.10 0.00 0.00 66.02 66.52 2pkq s SER 65 CO 0.54 -0.16 0.85 -0.63 0.98 0.00 0.00 173.24 174.83 2pkq s ILE 66 N 1.20 5.59 -0.33 -1.02 1.01 -0.72 -1.80 121.20 125.13 2pkq s ILE 66 Ca -0.09 -2.54 -0.02 0.00 0.00 0.00 0.00 60.65 58.01 2pkq s ILE 66 Cb -0.11 -4.52 0.00 0.00 0.01 0.00 0.00 42.46 37.84 2pkq s ILE 66 CO -0.07 -1.10 0.20 0.47 0.00 0.00 0.00 174.94 174.44 2pkq n ASP 67 N 4.02 -2.77 0.00 3.58 8.00 0.59 -3.81 116.55 126.16 2pkq n ASP 67 Ca 0.16 -0.09 0.00 0.00 0.71 0.00 0.00 54.79 55.57 2pkq n ASP 67 Cb 0.46 -1.51 0.00 0.00 -0.02 0.00 0.00 41.12 40.05 2pkq n ASP 67 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2pkq n GLY 68 N -0.88 3.02 3.63 0.44 0.00 -1.26 -5.02 105.19 105.12 2pkq n GLY 68 Ca -0.01 -0.83 -0.43 0.00 0.00 0.00 0.00 46.02 44.76 2pkq n GLY 68 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2pkq s LYS 69 N 0.00 3.72 0.70 1.61 1.02 -1.25 -4.93 119.74 120.61 2pkq s LYS 69 Ca 0.00 2.15 -0.12 0.00 0.02 0.00 0.00 55.97 58.02 2pkq s LYS 69 Cb 0.00 -4.19 0.02 0.00 -0.52 0.00 0.00 37.83 33.13 2pkq s LYS 69 CO 0.00 -1.42 1.07 -2.14 -0.92 0.00 0.00 175.35 171.94 2pkq s PRO 70 N 5.13 2.79 -0.21 -1.68 0.02 -1.26 -1.76 135.00 138.02 2pkq s PRO 70 Ca 0.87 1.08 -0.04 0.00 0.02 0.00 0.00 61.00 62.93 2pkq s PRO 70 Cb -0.34 -1.97 0.11 0.00 0.02 0.00 0.00 34.50 32.32 2pkq s PRO 70 CO 0.36 -1.23 0.29 0.42 -0.33 0.00 0.00 177.00 176.51 2pkq s ILE 71 N -2.88 -0.45 0.31 2.83 1.01 0.05 -4.82 121.20 117.24 2pkq s ILE 71 Ca 0.60 -0.06 -0.28 0.00 0.00 0.00 0.00 60.65 60.90 2pkq s ILE 71 Cb -0.16 -0.72 -0.09 0.00 0.01 0.00 0.00 42.46 41.50 2pkq s ILE 71 CO 0.52 -0.14 1.13 -0.75 0.00 0.00 0.00 174.94 175.69 2pkq s LYS 72 N 2.43 4.50 -0.10 2.79 2.47 -0.35 -2.37 119.74 129.11 2pkq s LYS 72 Ca 0.09 1.83 -0.00 0.00 -1.56 0.00 0.00 55.97 56.33 2pkq s LYS 72 Cb -0.15 -3.06 0.02 0.00 -1.46 0.00 0.00 37.83 33.18 2pkq s LYS 72 CO -0.13 0.08 -0.07 0.08 0.16 0.00 0.00 175.35 175.47 2pkq s VAL 73 N -1.23 0.92 0.46 4.02 1.01 -1.14 -2.00 120.40 122.44 2pkq s VAL 73 Ca 0.47 -0.24 0.05 0.00 0.00 0.00 0.00 61.98 62.27 2pkq s VAL 73 Cb -0.32 -0.94 -0.03 0.00 0.00 0.00 0.00 36.38 35.08 2pkq s VAL 73 CO 0.41 0.34 0.12 -0.69 0.00 0.00 0.00 175.10 175.28 2pkq s VAL 74 N 1.59 1.80 -0.23 2.92 1.01 -0.52 -4.79 120.40 122.18 2pkq s VAL 74 Ca 0.02 -1.83 -0.09 0.00 0.00 0.00 0.00 61.98 60.08 2pkq s VAL 74 Cb -0.13 -2.63 0.10 0.00 0.00 0.00 0.00 36.38 33.71 2pkq s VAL 74 CO -0.06 0.00 0.50 -0.55 0.00 0.00 0.00 175.10 174.99 2pkq s SER 75 N -3.90 -0.59 -0.29 3.32 0.15 -1.26 -3.15 113.70 107.97 2pkq s SER 75 Ca 0.28 1.18 -0.16 0.00 0.70 0.00 0.00 55.95 57.95 2pkq s SER 75 Cb 0.04 1.52 0.17 0.00 -1.71 0.00 0.00 66.02 66.04 2pkq s SER 75 CO 0.16 -0.22 1.10 0.21 1.20 0.00 0.00 173.24 175.68 2pkq s ASN 76 N 2.42 -0.33 0.55 5.45 3.84 -1.26 -5.00 114.94 120.62 2pkq s ASN 76 Ca -0.05 0.51 0.30 0.00 0.21 0.00 0.00 52.86 53.83 2pkq s ASN 76 Cb -0.11 1.16 1.62 0.00 -0.55 0.00 0.00 41.25 43.38 2pkq s ASN 76 CO -0.15 -0.08 2.14 0.03 -2.79 0.00 0.00 177.10 176.25 2pkq h ARG 77 N 5.84 0.00 -4.12 0.43 3.08 -2.00 -3.38 114.38 114.23 2pkq h ARG 77 Ca -0.26 0.00 -0.76 0.00 0.07 0.00 0.00 59.98 59.03 2pkq h ARG 77 Cb 1.17 0.00 -0.24 0.00 0.08 0.00 0.00 29.97 30.98 2pkq h ARG 77 CO 0.20 0.07 0.08 0.34 -1.07 0.00 0.00 179.97 179.59 2pkq s ASP 78 N -6.06 6.52 0.38 7.04 -1.08 -1.26 -4.93 116.67 117.27 2pkq s ASP 78 Ca -0.03 -2.22 0.27 0.00 -0.52 0.00 0.00 52.55 50.04 2pkq s ASP 78 Cb 0.13 -2.24 1.31 0.00 -1.46 0.00 0.00 42.92 40.66 2pkq s ASP 78 CO 0.56 -0.77 1.41 -2.65 0.52 0.00 0.00 175.17 174.24 2pkq n PRO 79 N 4.86 -0.04 -0.25 4.34 -0.02 -1.26 -0.13 135.00 142.50 2pkq n PRO 79 Ca 0.04 1.15 0.23 0.00 -2.02 0.00 0.00 63.50 62.91 2pkq n PRO 79 Cb 0.45 -2.22 0.58 0.00 -0.02 0.00 0.00 33.50 32.28 2pkq n PRO 79 CO 0.00 0.00 0.00 -0.07 1.98 0.00 0.00 175.50 177.41 2pkq h LEU 80 N 0.00 0.30 -0.12 2.45 3.38 -1.92 0.51 115.31 119.90 2pkq h LEU 80 Ca 0.78 0.04 0.00 0.00 0.09 0.00 0.00 57.88 58.79 2pkq h LEU 80 Cb 2.41 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 43.15 2pkq h LEU 80 CO -0.49 0.10 -0.05 0.29 0.09 0.00 0.00 178.44 178.38 2pkq n LYS 81 N -4.46 0.64 -2.26 1.13 5.02 0.82 -4.74 118.16 114.31 2pkq n LYS 81 Ca 0.21 -0.12 -0.40 0.00 -2.02 0.00 0.00 58.31 55.98 2pkq n LYS 81 Cb 0.84 -1.50 -0.02 0.00 -0.02 0.00 0.00 35.03 34.33 2pkq n LYS 81 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 2pkq s LEU 82 N -2.45 4.35 -0.00 -0.35 1.43 0.18 -4.92 118.68 116.92 2pkq s LEU 82 Ca 0.31 2.46 0.00 0.00 -1.03 0.00 0.00 54.13 55.88 2pkq s LEU 82 Cb 0.20 -3.80 0.00 0.00 0.03 0.00 0.00 46.19 42.62 2pkq s LEU 82 CO 0.45 -0.52 1.18 -2.65 0.23 0.00 0.00 176.35 175.04 2pkq n PRO 83 N 0.57 1.00 -0.18 1.29 -0.02 -1.26 -4.53 135.00 131.87 2pkq n PRO 83 Ca 0.02 -0.01 -0.01 0.00 -2.02 0.00 0.00 63.50 61.48 2pkq n PRO 83 Cb 0.44 -1.00 0.08 0.00 -0.02 0.00 0.00 33.50 33.01 2pkq n PRO 83 CO 0.00 0.00 0.00 -1.49 1.98 0.00 0.00 175.50 175.99 2pkq h TRP 84 N 0.18 0.18 0.08 6.00 -0.00 -1.90 0.12 115.95 120.62 2pkq h TRP 84 Ca 0.00 0.03 -0.00 0.00 -0.00 0.00 0.00 58.89 58.92 2pkq h TRP 84 Cb 1.00 0.00 0.00 0.00 -0.00 0.00 0.00 29.16 30.17 2pkq h TRP 84 CO 0.04 -0.01 -0.04 0.00 -0.00 0.00 0.00 178.44 178.43 2pkq h ALA 85 N 1.43 -0.11 -0.57 1.49 0.00 -1.56 0.58 119.26 120.52 2pkq h ALA 85 Ca 0.28 -0.16 0.12 0.00 0.00 0.00 0.00 54.91 55.14 2pkq h ALA 85 Cb 0.39 0.04 -0.10 0.00 0.00 0.00 0.00 17.79 18.12 2pkq h ALA 85 CO -0.36 -0.41 -0.03 1.49 0.00 0.00 0.00 179.25 179.95 2pkq h GLU 86 N -0.42 0.09 0.00 0.00 4.81 -1.73 0.39 114.58 117.72 2pkq h GLU 86 Ca -0.01 -0.01 -0.09 0.00 -0.13 0.00 0.00 59.36 59.13 2pkq h GLU 86 Cb 0.36 -0.02 -0.01 0.00 0.63 0.00 0.00 28.75 29.71 2pkq h GLU 86 CO 0.02 0.06 -0.41 -0.07 -0.73 0.00 0.00 179.01 177.88 2pkq h LEU 87 N 0.09 0.00 -2.13 1.64 3.38 -0.96 -3.48 115.31 113.85 2pkq h LEU 87 Ca 0.29 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 58.24 2pkq h LEU 87 Cb 0.46 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.22 2pkq h LEU 87 CO -0.51 0.41 -0.05 0.61 0.09 0.00 0.00 178.44 178.99 2pkq n GLY 88 N 1.10 0.45 3.69 0.83 0.00 0.17 -5.00 105.19 106.44 2pkq n GLY 88 Ca 0.02 -0.41 -0.42 0.00 0.00 0.00 0.00 46.02 45.21 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 -3.02 3.86 -0.13 -0.61 -1.09 0.73 -4.77 121.20 116.17 2pkq s ILE 89 Ca 0.00 1.26 -0.06 0.00 -2.23 0.00 0.00 60.65 59.63 2pkq s ILE 89 Cb -0.00 -3.81 -0.26 0.00 -1.58 0.00 0.00 42.46 36.81 2pkq s ILE 89 CO 0.05 0.02 0.33 0.47 -1.23 0.00 0.00 174.94 174.58 2pkq n ASP 90 N 4.97 2.11 -4.08 3.58 8.00 -0.30 -2.58 116.55 128.25 2pkq n ASP 90 Ca 0.12 0.19 -0.19 0.00 0.71 0.00 0.00 54.79 55.61 2pkq n ASP 90 Cb 0.45 -0.83 -0.14 0.00 -0.02 0.00 0.00 41.12 40.58 2pkq n ASP 90 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 2pkq s ILE 91 N -2.56 0.89 -0.13 0.53 1.01 -0.92 -0.97 121.20 119.05 2pkq s ILE 91 Ca -0.23 -0.67 0.01 0.00 0.00 0.00 0.00 60.65 59.76 2pkq s ILE 91 Cb 0.07 -0.78 0.02 0.00 0.01 0.00 0.00 42.46 41.77 2pkq s ILE 91 CO 0.76 0.11 -0.14 -0.69 0.00 0.00 0.00 174.94 174.98 2pkq s VAL 92 N -0.52 1.47 -0.86 2.92 1.01 -0.40 -0.55 120.40 123.47 2pkq s VAL 92 Ca 0.02 -0.59 -0.18 0.00 0.00 0.00 0.00 61.98 61.23 2pkq s VAL 92 Cb -0.06 -1.38 0.14 0.00 0.00 0.00 0.00 36.38 35.09 2pkq s VAL 92 CO 0.00 0.44 1.01 -0.63 0.00 0.00 0.00 175.10 175.92 2pkq s ILE 93 N 1.33 4.89 -0.92 2.22 -1.09 -0.62 -1.04 121.20 125.96 2pkq s ILE 93 Ca 0.01 -1.62 -0.24 0.00 -2.23 0.00 0.00 60.65 56.56 2pkq s ILE 93 Cb -0.14 -4.69 -0.01 0.00 -1.58 0.00 0.00 42.46 36.05 2pkq s ILE 93 CO -0.07 -1.38 1.74 -0.70 -1.23 0.00 0.00 174.94 173.31 2pkq s GLU 94 N 2.28 2.94 -0.71 2.79 -6.30 -0.16 -2.07 118.70 117.47 2pkq s GLU 94 Ca 0.27 -0.52 0.04 0.00 -2.50 0.00 0.00 54.97 52.26 2pkq s GLU 94 Cb -0.08 -5.09 0.31 0.00 0.00 0.00 0.00 34.13 29.26 2pkq s GLU 94 CO -0.07 -2.89 1.07 0.41 0.02 0.00 0.00 175.26 173.81 2pkq n GLY 95 N 6.74 5.44 0.00 -1.50 0.00 -0.13 -2.10 105.19 113.65 2pkq n GLY 95 Ca 0.35 -2.75 -0.00 0.00 0.00 0.00 0.00 46.02 43.62 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 0.21 0.06 -0.84 2.61 -2.24 -1.26 -4.51 114.28 108.31 2pkq n THR 96 Ca 0.33 -0.04 0.00 0.00 -2.27 0.00 0.00 64.05 62.06 2pkq n THR 96 Cb 0.37 -0.72 0.00 0.00 -2.10 0.00 0.00 70.33 67.88 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 2.85 0.56 0.59 3.38 0.00 -1.26 -4.89 105.19 106.41 2pkq n GLY 97 Ca -0.02 -0.21 -0.09 0.00 0.00 0.00 0.00 46.02 45.71 2pkq n GLY 97 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 2pkq n VAL 98 N -2.84 1.06 -2.70 1.61 0.31 -1.26 -4.82 118.33 109.68 2pkq n VAL 98 Ca 0.00 0.06 -0.42 0.00 -0.01 0.00 0.00 64.34 63.97 2pkq n VAL 98 Cb 0.00 -1.82 -0.02 0.00 -0.91 0.00 0.00 33.84 31.09 2pkq n VAL 98 CO 0.00 0.00 0.00 -0.36 -1.32 0.00 0.00 176.83 175.15 2pkq s PHE 99 N -2.34 2.84 -0.01 3.52 0.08 -1.26 -4.62 117.98 116.19 2pkq s PHE 99 Ca -0.16 -1.29 0.01 0.00 0.12 0.00 0.00 56.93 55.61 2pkq s PHE 99 Cb 0.04 -4.56 0.02 0.00 -0.57 0.00 0.00 43.02 37.95 2pkq s PHE 99 CO 0.22 -1.74 0.88 1.33 -0.10 0.00 0.00 175.22 175.81 2pkq n VAL 100 N 6.17 0.76 -4.31 -0.44 0.24 -1.26 -4.21 118.33 115.28 2pkq n VAL 100 Ca 0.34 -0.79 -0.24 0.00 -2.04 0.00 0.00 64.34 61.61 2pkq n VAL 100 Cb 0.49 0.58 -0.08 0.00 -1.47 0.00 0.00 33.84 33.36 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 -0.86 4.24 0.08 -1.34 1.47 -1.26 0.17 116.67 119.17 2pkq s ASP 101 Ca 0.02 -0.95 -0.25 0.00 1.18 0.00 0.00 52.55 52.56 2pkq s ASP 101 Cb 0.02 -0.57 -0.10 0.00 -0.34 0.00 0.00 42.92 41.93 2pkq s ASP 101 CO 0.00 -0.22 1.40 1.23 0.68 0.00 0.00 175.17 178.26 2pkq h GLY 102 N 1.80 -1.20 -0.44 2.12 0.00 -1.96 -1.67 103.07 101.72 2pkq h GLY 102 Ca -0.43 0.64 0.13 0.00 0.00 0.00 0.00 47.33 47.67 2pkq h GLY 102 CO 0.66 -0.32 -0.25 -2.55 0.00 0.00 0.00 176.54 174.08 2pkq h PRO 103 N -0.50 -0.06 0.00 4.80 0.11 -1.98 -1.47 132.00 132.91 2pkq h PRO 103 Ca 0.01 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.12 2pkq h PRO 103 Cb 0.53 0.01 0.00 0.00 0.11 0.00 0.00 31.00 31.65 2pkq h PRO 103 CO -0.25 -0.04 0.00 0.41 -0.21 0.00 0.00 178.00 177.91 2pkq n GLY 104 N -1.46 -2.65 0.62 -0.55 0.00 -1.06 -2.97 105.19 97.11 2pkq n GLY 104 Ca 0.07 0.00 0.41 0.00 0.00 0.00 0.00 46.02 46.50 2pkq n GLY 104 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2pkq h ALA 105 N -2.00 3.41 0.00 4.61 0.00 -1.37 1.59 119.26 125.50 2pkq h ALA 105 Ca 0.00 -0.05 -0.01 0.00 0.00 0.00 0.00 54.91 54.85 2pkq h ALA 105 Cb 0.00 0.11 -0.00 0.00 0.00 0.00 0.00 17.79 17.90 2pkq h ALA 105 CO 0.00 -2.04 -0.03 0.78 0.00 0.00 0.00 179.25 177.95 2pkq h GLY 106 N 0.00 0.00 1.00 0.00 0.00 -1.26 -2.90 103.07 99.91 2pkq h GLY 106 Ca 0.71 0.00 0.09 0.00 0.00 0.00 0.00 47.33 48.13 2pkq h GLY 106 CO -0.01 0.00 0.41 0.50 0.00 0.00 0.00 176.54 177.44 2pkq h LYS 107 N 0.00 0.00 -0.09 4.80 1.57 0.24 0.68 116.57 123.77 2pkq h LYS 107 Ca -0.00 0.00 -0.14 0.00 -1.87 0.00 0.00 60.65 58.64 2pkq h LYS 107 Cb 0.63 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.93 2pkq h LYS 107 CO 0.00 0.00 -0.56 0.45 -0.57 0.00 0.00 179.45 178.77 2pkq h HIS 108 N 0.00 0.35 -0.25 -1.35 3.86 -1.67 -2.37 115.15 113.71 2pkq h HIS 108 Ca 0.15 -0.13 -0.09 0.00 -1.16 0.00 0.00 60.37 59.14 2pkq h HIS 108 Cb 0.97 -0.07 -0.00 0.00 1.06 0.00 0.00 27.41 29.37 2pkq h HIS 108 CO 0.00 0.78 -0.20 0.82 0.86 0.00 0.00 177.93 180.19 2pkq h ILE 109 N 0.21 1.31 -0.45 2.45 1.08 0.17 -0.71 117.51 121.56 2pkq h ILE 109 Ca -0.00 -1.34 0.08 0.00 -0.39 0.00 0.00 64.86 63.21 2pkq h ILE 109 Cb 1.06 1.63 -0.02 0.00 -3.07 0.00 0.00 36.82 36.42 2pkq h ILE 109 CO 0.09 0.42 0.31 1.56 -0.69 0.00 0.00 178.15 179.84 2pkq h GLN 110 N 0.28 0.27 0.00 2.37 4.20 -1.31 0.13 115.11 121.06 2pkq h GLN 110 Ca 0.05 -0.02 0.00 0.00 0.06 0.00 0.00 58.65 58.74 2pkq h GLN 110 Cb 0.74 -0.06 0.00 0.00 0.30 0.00 0.00 27.48 28.46 2pkq h GLN 110 CO 0.05 0.18 0.00 0.00 -0.67 0.00 0.00 178.83 178.39 2pkq h ALA 111 N 1.76 1.00 0.00 3.87 0.00 -1.17 -3.46 119.26 121.26 2pkq h ALA 111 Ca 0.21 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.12 2pkq h ALA 111 Cb 0.45 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.24 2pkq h ALA 111 CO -0.04 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.62 2pkq n GLY 112 N 0.51 1.24 3.83 0.00 0.00 0.45 -2.48 105.19 108.75 2pkq n GLY 112 Ca 0.02 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.70 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 -1.41 3.33 -0.14 4.61 0.00 -0.30 -3.70 121.76 124.15 2pkq s ALA 113 Ca 0.00 0.13 -0.12 0.00 0.00 0.00 0.00 51.96 51.97 2pkq s ALA 113 Cb 0.00 -2.83 -0.09 0.00 0.00 0.00 0.00 23.12 20.20 2pkq s ALA 113 CO 0.00 0.31 0.09 0.87 0.00 0.00 0.00 175.76 177.03 2pkq h LYS 114 N 2.67 0.00 -4.83 0.00 1.79 -1.58 -3.40 116.57 111.22 2pkq h LYS 114 Ca -0.48 0.00 -0.37 0.00 -2.18 0.00 0.00 60.65 57.62 2pkq h LYS 114 Cb 1.18 0.00 -0.25 0.00 -1.58 0.00 0.00 32.23 31.58 2pkq h LYS 114 CO 0.65 0.36 -0.77 0.15 -1.08 0.00 0.00 179.45 178.76 2pkq s LYS 115 N -2.07 0.70 -0.13 3.15 1.02 -0.14 -4.92 119.74 117.34 2pkq s LYS 115 Ca -0.14 -0.57 0.02 0.00 0.02 0.00 0.00 55.97 55.30 2pkq s LYS 115 Cb 0.02 -0.63 0.01 0.00 -0.52 0.00 0.00 37.83 36.71 2pkq s LYS 115 CO 0.31 0.16 -0.20 0.08 -0.92 0.00 0.00 175.35 174.78 2pkq s VAL 116 N -0.74 1.86 -0.23 3.17 1.01 -0.22 -1.27 120.40 123.98 2pkq s VAL 116 Ca -0.01 -0.86 -0.05 0.00 0.00 0.00 0.00 61.98 61.06 2pkq s VAL 116 Cb -0.07 -1.66 -0.01 0.00 0.00 0.00 0.00 36.38 34.65 2pkq s VAL 116 CO 0.00 0.51 -0.01 -0.63 0.00 0.00 0.00 175.10 174.98 2pkq s ILE 117 N 0.87 3.62 -0.07 2.22 1.01 -0.20 -1.69 121.20 126.95 2pkq s ILE 117 Ca -0.07 -0.44 -0.21 0.00 0.00 0.00 0.00 60.65 59.93 2pkq s ILE 117 Cb -0.15 -2.68 -0.04 0.00 0.01 0.00 0.00 42.46 39.60 2pkq s ILE 117 CO -0.02 0.38 0.60 -0.63 0.00 0.00 0.00 174.94 175.27 2pkq s ILE 118 N 1.51 5.07 -1.11 2.92 1.01 0.86 -0.99 121.20 130.47 2pkq s ILE 118 Ca 0.06 1.23 -0.05 0.00 0.00 0.00 0.00 60.65 61.88 2pkq s ILE 118 Cb -0.15 -3.94 0.11 0.00 0.01 0.00 0.00 42.46 38.49 2pkq s ILE 118 CO -0.01 0.31 2.48 0.35 0.00 0.00 0.00 174.94 178.07 2pkq n THR 119 N 3.52 4.80 0.00 2.92 -2.24 -0.89 -2.02 114.28 120.36 2pkq n THR 119 Ca -0.04 -4.02 0.00 0.00 -2.27 0.00 0.00 64.05 57.72 2pkq n THR 119 Cb 0.51 -1.95 0.00 0.00 -2.10 0.00 0.00 70.33 66.79 2pkq n THR 119 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2pkq n ALA 120 N 1.51 0.00 -1.76 6.98 0.00 -1.22 -4.92 120.51 121.09 2pkq n ALA 120 Ca 0.59 0.00 -0.39 0.00 0.00 0.00 0.00 53.44 53.64 2pkq n ALA 120 Cb 0.32 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 19.73 2pkq n ALA 120 CO 0.00 0.00 0.00 -2.14 0.00 0.00 0.00 177.50 175.36 2pkq s PRO 121 N -2.00 4.48 0.42 0.00 0.02 -1.20 -4.15 135.00 132.57 2pkq s PRO 121 Ca 0.00 1.79 -0.23 0.00 0.02 0.00 0.00 61.00 62.58 2pkq s PRO 121 Cb 0.00 -3.02 -0.09 0.00 0.02 0.00 0.00 34.50 31.41 2pkq s PRO 121 CO 0.00 0.07 1.05 0.00 -0.33 0.00 0.00 177.00 177.79 2pkq s ALA 122 N -1.27 3.03 -0.54 -1.55 0.00 -1.26 -4.93 121.76 115.24 2pkq s ALA 122 Ca 0.48 0.69 0.23 0.00 0.00 0.00 0.00 51.96 53.36 2pkq s ALA 122 Cb -0.31 -3.27 0.11 0.00 0.00 0.00 0.00 23.12 19.65 2pkq s ALA 122 CO 0.39 -0.25 1.09 1.17 0.00 0.00 0.00 175.76 178.16 2pkq n LYS 122 N -0.29 0.35 0.00 0.00 4.81 0.13 -4.87 118.16 118.29 2pkq n LYS 122 Ca 0.06 0.03 0.00 0.00 -0.87 0.00 0.00 58.31 57.53 2pkq n LYS 122 Cb 0.50 -1.65 0.00 0.00 0.02 0.00 0.00 35.03 33.90 2pkq n LYS 122 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 2pkq n GLY 123 N 1.33 0.10 0.00 3.14 0.00 -1.26 -4.99 105.19 103.51 2pkq n GLY 123 Ca 0.02 -1.20 0.00 0.00 0.00 0.00 0.00 46.02 44.84 2pkq n GLY 123 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2pkq n SER 123 N 0.00 0.00 -0.16 1.61 3.41 -1.26 -4.88 113.62 112.34 2pkq n SER 123 Ca 0.00 0.00 0.14 0.00 -0.26 0.00 0.00 58.87 58.75 2pkq n SER 123 Cb 0.00 0.00 0.61 0.00 -0.26 0.00 0.00 64.21 64.56 2pkq n SER 123 CO 0.00 0.00 0.00 -0.90 -0.16 0.00 0.00 175.04 173.98 2pkq n ASP 124 N 0.00 0.60 -4.65 4.04 5.75 -1.26 -4.82 116.55 116.21 2pkq n ASP 124 Ca 0.00 -0.75 -0.35 0.00 -0.01 0.00 0.00 54.79 53.68 2pkq n ASP 124 Cb 0.00 -0.04 -0.09 0.00 -1.03 0.00 0.00 41.12 39.96 2pkq n ASP 124 CO 0.00 0.00 0.00 -0.63 -0.11 0.00 0.00 177.20 176.46 2pkq s ILE 125 N -2.38 5.06 0.23 2.12 1.01 -1.26 -5.05 121.20 120.93 2pkq s ILE 125 Ca 0.31 0.07 -0.30 0.00 0.00 0.00 0.00 60.65 60.73 2pkq s ILE 125 Cb 0.20 -3.32 -0.09 0.00 0.01 0.00 0.00 42.46 39.26 2pkq s ILE 125 CO 0.45 0.42 1.32 -2.84 0.00 0.00 0.00 174.94 174.29 2pkq s PRO 126 N 0.63 4.38 -0.26 2.79 0.02 -1.25 -4.86 135.00 136.44 2pkq s PRO 126 Ca 0.06 2.10 -0.05 0.00 0.02 0.00 0.00 61.00 63.13 2pkq s PRO 126 Cb -0.12 -3.16 -0.00 0.00 0.02 0.00 0.00 34.50 31.23 2pkq s PRO 126 CO 0.01 -0.24 0.03 0.99 -0.33 0.00 0.00 177.00 177.45 2pkq s THR 127 N -0.16 3.72 0.23 0.99 2.01 -1.26 -0.95 115.64 120.22 2pkq s THR 127 Ca 0.55 -0.59 0.08 0.00 0.31 0.00 0.00 61.69 62.05 2pkq s THR 127 Cb -0.38 -2.82 -0.04 0.00 0.01 0.00 0.00 72.50 69.27 2pkq s THR 127 CO 0.41 0.24 0.03 -0.31 -0.69 0.00 0.00 174.62 174.30 2pkq s TYR 128 N 1.49 2.81 -0.40 4.92 2.02 -0.29 -4.61 117.35 123.29 2pkq s TYR 128 Ca 0.04 -0.18 0.04 0.00 -0.37 0.00 0.00 57.07 56.60 2pkq s TYR 128 Cb -0.16 -1.29 0.16 0.00 -0.40 0.00 0.00 41.96 40.28 2pkq s TYR 128 CO 0.00 0.57 0.40 0.08 -1.57 0.00 0.00 175.55 175.04 2pkq s VAL 129 N -2.09 -0.24 0.04 0.71 1.01 -1.26 -3.81 120.40 114.75 2pkq s VAL 129 Ca 0.30 -1.40 -0.23 0.00 0.00 0.00 0.00 61.98 60.65 2pkq s VAL 129 Cb -0.08 -0.73 -0.12 0.00 0.00 0.00 0.00 36.38 35.45 2pkq s VAL 129 CO 0.20 -0.68 0.56 0.52 0.00 0.00 0.00 175.10 175.70 2pkq n VAL 130 N 3.74 0.37 0.00 2.92 0.31 -1.26 -0.65 118.33 123.77 2pkq n VAL 130 Ca 0.16 -0.09 0.00 0.00 -0.01 0.00 0.00 64.34 64.40 2pkq n VAL 130 Cb 0.47 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.40 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 1.02 2.85 0.00 2.92 0.00 -1.26 -4.88 105.19 105.85 2pkq n GLY 131 Ca 0.12 -0.53 0.00 0.00 0.00 0.00 0.00 46.02 45.61 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 0.00 0.00 -2.58 1.61 0.31 0.18 -4.89 118.33 112.97 2pkq n VAL 132 Ca 0.00 0.00 -0.26 0.00 -0.01 0.00 0.00 64.34 64.07 2pkq n VAL 132 Cb 0.00 -0.55 -0.01 0.00 -0.91 0.00 0.00 33.84 32.37 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 -0.80 4.45 0.09 4.52 2.04 -1.24 -4.81 115.26 119.51 2pkq n ASN 133 Ca 0.00 -3.65 -0.06 0.00 -0.44 0.00 0.00 54.58 50.42 2pkq n ASN 133 Cb 0.00 -0.48 0.02 0.00 -2.53 0.00 0.00 39.78 36.79 2pkq n ASN 133 CO 0.00 0.00 0.00 1.05 -0.44 0.00 0.00 177.26 177.87 2pkq h GLU 134 N 2.68 0.13 -0.96 -3.83 9.09 -1.90 -3.17 114.58 116.61 2pkq h GLU 134 Ca 0.25 -0.13 0.14 0.00 0.05 0.00 0.00 59.36 59.66 2pkq h GLU 134 Cb 0.86 0.04 -0.09 0.00 -1.65 0.00 0.00 28.75 27.91 2pkq h GLU 134 CO 0.82 0.87 0.58 -0.22 0.05 0.00 0.00 179.01 181.12 2pkq h LYS 135 N 0.07 0.84 0.00 1.06 1.63 -1.98 -1.05 116.57 117.14 2pkq h LYS 135 Ca -0.03 -0.05 0.00 0.00 -0.85 0.00 0.00 60.65 59.72 2pkq h LYS 135 Cb 1.43 -0.19 0.00 0.00 -0.60 0.00 0.00 32.23 32.87 2pkq h LYS 135 CO 0.12 0.56 0.11 -0.25 -3.45 0.00 0.00 179.45 176.54 2pkq n ASP 136 N -4.70 0.00 -4.56 4.20 9.92 -1.20 -4.35 116.55 115.86 2pkq n ASP 136 Ca 0.19 0.10 -0.35 0.00 -0.53 0.00 0.00 54.79 54.21 2pkq n ASP 136 Cb 0.41 -0.10 -0.11 0.00 -0.64 0.00 0.00 41.12 40.67 2pkq n ASP 136 CO 0.00 0.00 0.00 -0.47 0.13 0.00 0.00 177.20 176.86 2pkq s TYR 137 N -1.92 3.17 -0.08 1.24 5.04 -0.40 -5.08 117.35 119.33 2pkq s TYR 137 Ca 0.00 -0.12 -0.08 0.00 -2.44 0.00 0.00 57.07 54.43 2pkq s TYR 137 Cb 0.00 -2.11 0.02 0.00 0.35 0.00 0.00 41.96 40.22 2pkq s TYR 137 CO 0.00 -0.03 0.23 0.20 -1.34 0.00 0.00 175.55 174.61 2pkq s GLY 138 N 0.76 -0.16 0.99 8.97 0.00 -1.26 -5.05 107.32 111.57 2pkq s GLY 138 Ca 0.03 0.61 -0.16 0.00 0.00 0.00 0.00 44.72 45.20 2pkq s GLY 138 CO 0.02 0.52 -0.49 1.57 0.00 0.00 0.00 173.10 174.72 2pkq n HIS 139 N 2.89 -3.89 0.00 1.90 -0.00 -1.26 -1.48 115.22 113.38 2pkq n HIS 139 Ca -0.13 0.08 0.00 0.00 0.46 0.00 0.00 57.72 58.13 2pkq n HIS 139 Cb 0.58 -1.53 0.00 0.00 -0.12 0.00 0.00 29.99 28.92 2pkq n HIS 139 CO 0.00 0.00 0.00 -0.25 0.46 0.00 0.00 176.34 176.55 2pkq n ASP 139 N 2.03 0.00 -4.43 0.26 8.00 -1.26 -4.91 116.55 116.23 2pkq n ASP 139 Ca 0.00 0.00 -0.44 0.00 0.71 0.00 0.00 54.79 55.07 2pkq n ASP 139 Cb 0.57 -0.07 -0.04 0.00 -0.02 0.00 0.00 41.12 41.55 2pkq n ASP 139 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 2pkq s VAL 140 N -0.51 4.50 0.24 2.53 1.01 -0.55 -4.85 120.40 122.77 2pkq s VAL 140 Ca 0.00 -0.51 0.00 0.00 0.00 0.00 0.00 61.98 61.47 2pkq s VAL 140 Cb 0.00 -4.60 0.00 0.00 0.00 0.00 0.00 36.38 31.78 2pkq s VAL 140 CO 0.00 -1.31 0.00 0.00 0.00 0.00 0.00 175.10 173.79 2pkq n ALA 141 N 7.23 -1.54 -0.94 5.51 0.00 -1.26 -4.76 120.51 124.74 2pkq n ALA 141 Ca -0.05 0.27 0.07 0.00 0.00 0.00 0.00 53.44 53.73 2pkq n ALA 141 Cb 0.45 -1.04 0.36 0.00 0.00 0.00 0.00 19.45 19.21 2pkq n ALA 141 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 2pkq n ASN 142 N 0.14 5.14 -3.58 0.00 3.02 -1.26 -4.82 115.26 113.89 2pkq n ASN 142 Ca 0.00 -2.98 -0.20 0.00 -0.03 0.00 0.00 54.58 51.37 2pkq n ASN 142 Cb 0.00 -0.64 -0.15 0.00 -0.61 0.00 0.00 39.78 38.38 2pkq n ASN 142 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 2pkq s ILE 143 N -2.80 -0.23 0.20 2.41 1.01 -1.26 -1.05 121.20 119.48 2pkq s ILE 143 Ca 0.51 0.02 0.08 0.00 0.00 0.00 0.00 60.65 61.25 2pkq s ILE 143 Cb 0.39 -0.53 -0.05 0.00 0.01 0.00 0.00 42.46 42.29 2pkq s ILE 143 CO 0.14 -0.12 -0.14 0.27 0.00 0.00 0.00 174.94 175.09 2pkq s ILE 144 N 2.26 1.70 -0.11 2.92 -4.36 -0.68 -3.95 121.20 118.97 2pkq s ILE 144 Ca 0.04 -2.20 0.03 0.00 -0.26 0.00 0.00 60.65 58.26 2pkq s ILE 144 Cb -0.15 -2.02 0.01 0.00 1.25 0.00 0.00 42.46 41.55 2pkq s ILE 144 CO -0.09 -0.60 -0.18 -0.55 0.24 0.00 0.00 174.94 173.75 2pkq s SER 145 N -3.29 2.64 -0.07 4.36 0.15 -0.12 -0.10 113.70 117.27 2pkq s SER 145 Ca 0.22 -0.48 0.01 0.00 0.70 0.00 0.00 55.95 56.40 2pkq s SER 145 Cb -0.01 -1.20 0.12 0.00 -1.71 0.00 0.00 66.02 63.22 2pkq s SER 145 CO 0.06 0.07 1.06 -3.20 1.20 0.00 0.00 173.24 172.44 2pkq n ASN 146 N 3.93 2.85 0.00 5.45 2.85 -0.86 -1.14 115.26 128.35 2pkq n ASN 146 Ca -0.20 -2.25 0.00 0.00 -0.11 0.00 0.00 54.58 52.03 2pkq n ASN 146 Cb 0.52 -0.55 0.00 0.00 1.24 0.00 0.00 39.78 40.99 2pkq n ASN 146 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 2pkq n ALA 147 N 0.20 0.00 -2.54 5.20 0.00 -1.25 -4.82 120.51 117.30 2pkq n ALA 147 Ca 0.09 0.00 -0.23 0.00 0.00 0.00 0.00 53.44 53.30 2pkq n ALA 147 Cb 0.64 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 20.03 2pkq n ALA 147 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 2pkq s SER 148 N -4.00 4.80 0.14 0.00 0.15 -1.26 -3.24 113.70 110.29 2pkq s SER 148 Ca 0.00 -0.70 -0.14 0.00 0.70 0.00 0.00 55.95 55.81 2pkq s SER 148 Cb 0.00 -0.81 0.02 0.00 -1.71 0.00 0.00 66.02 63.52 2pkq s SER 148 CO 0.00 -0.27 1.66 0.00 1.20 0.00 0.00 173.24 175.83 2pkq h THR 150 N 0.61 0.78 -0.55 0.00 2.02 -1.95 -2.79 112.91 111.04 2pkq h THR 150 Ca 0.15 -0.82 0.08 0.00 0.77 0.00 0.00 66.41 66.59 2pkq h THR 150 Cb 0.28 1.21 -0.03 0.00 -1.74 0.00 0.00 68.15 67.87 2pkq h THR 150 CO -0.00 0.16 0.37 0.74 0.37 0.00 0.00 175.52 177.16 2pkq h THR 151 N -0.78 0.92 0.00 3.16 2.02 -1.76 0.30 112.91 116.78 2pkq h THR 151 Ca -0.03 -0.14 0.00 0.00 0.77 0.00 0.00 66.41 67.01 2pkq h THR 151 Cb 0.51 0.49 0.00 0.00 -1.74 0.00 0.00 68.15 67.40 2pkq h THR 151 CO 0.05 0.07 0.00 -3.20 0.37 0.00 0.00 175.52 172.82 2pkq n ASN 152 N -4.47 0.00 -0.10 4.18 4.05 0.55 -1.30 115.26 118.18 2pkq n ASN 152 Ca 0.08 0.36 -0.12 0.00 0.45 0.00 0.00 54.58 55.35 2pkq n ASN 152 Cb 0.33 -0.45 -0.15 0.00 1.23 0.00 0.00 39.78 40.74 2pkq n ASN 152 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 177.26 174.21 2pkq h LEU 154 N 0.00 -0.04 -0.09 0.00 5.85 -0.69 -3.39 115.31 116.96 2pkq h LEU 154 Ca -0.53 0.00 0.01 0.00 0.84 0.00 0.00 57.88 58.20 2pkq h LEU 154 Cb 2.14 0.01 -0.01 0.00 0.37 0.00 0.00 40.66 43.17 2pkq h LEU 154 CO 0.01 0.09 -0.05 0.00 -0.34 0.00 0.00 178.44 178.14 2pkq n ALA 155 N -2.20 -0.06 -0.22 1.25 0.00 -0.42 -1.04 120.51 117.83 2pkq n ALA 155 Ca -0.01 0.07 -0.06 0.00 0.00 0.00 0.00 53.44 53.45 2pkq n ALA 155 Cb 0.02 0.08 -0.05 0.00 0.00 0.00 0.00 19.45 19.49 2pkq n ALA 155 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 2pkq n PRO 156 N -2.95 -0.23 0.05 0.00 -0.02 -1.26 -0.33 135.00 130.26 2pkq n PRO 156 Ca 0.00 1.21 0.13 0.00 -2.02 0.00 0.00 63.50 62.82 2pkq n PRO 156 Cb 0.02 -1.78 0.50 0.00 -0.02 0.00 0.00 33.50 32.22 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 -4.21 0.39 0.02 6.00 1.16 -0.69 -2.60 117.46 117.54 2pkq n PHE 157 Ca 0.01 0.12 -0.15 0.00 -1.87 0.00 0.00 57.45 55.56 2pkq n PHE 157 Cb 0.14 -0.70 -0.04 0.00 -1.61 0.00 0.00 39.48 37.27 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 0.00 1.32 0.00 1.97 2.07 0.89 -2.80 116.25 119.70 2pkq h VAL 158 Ca 0.00 -2.11 0.00 0.00 0.82 0.00 0.00 66.70 65.41 2pkq h VAL 158 Cb 0.55 2.12 0.00 0.00 -1.52 0.00 0.00 31.29 32.44 2pkq h VAL 158 CO 0.00 0.65 0.00 1.17 0.02 0.00 0.00 177.57 179.41 2pkq n LYS 159 N -3.87 0.00 -0.51 1.57 4.81 0.55 -1.95 118.16 118.76 2pkq n LYS 159 Ca -0.07 0.45 0.42 0.00 -0.87 0.00 0.00 58.31 58.24 2pkq n LYS 159 Cb 0.76 -1.41 0.68 0.00 0.02 0.00 0.00 35.03 35.08 2pkq n LYS 159 CO 0.00 0.00 0.00 0.28 1.17 0.00 0.00 177.40 178.85 2pkq n VAL 160 N -1.80 -0.17 0.38 3.15 0.31 -1.16 0.02 118.33 119.04 2pkq n VAL 160 Ca 0.00 1.63 -0.16 0.00 -0.01 0.00 0.00 64.34 65.80 2pkq n VAL 160 Cb 0.00 -2.68 -0.08 0.00 -0.91 0.00 0.00 33.84 30.17 2pkq n VAL 160 CO 0.00 0.00 0.00 -0.07 -1.32 0.00 0.00 176.83 175.44 2pkq h LEU 161 N 0.00 -0.83 -0.30 7.52 3.38 -1.16 -2.79 115.31 121.13 2pkq h LEU 161 Ca 0.85 0.01 -0.04 0.00 0.09 0.00 0.00 57.88 58.79 2pkq h LEU 161 Cb 2.93 0.21 -0.01 0.00 0.09 0.00 0.00 40.66 43.89 2pkq h LEU 161 CO -0.33 -0.47 0.02 -0.78 0.09 0.00 0.00 178.44 176.97 2pkq h ASP 162 N -1.21 0.50 0.21 -0.43 3.58 0.26 -1.24 116.42 118.09 2pkq h ASP 162 Ca -0.10 -0.29 0.00 0.00 0.42 0.00 0.00 57.03 57.06 2pkq h ASP 162 Cb 0.77 -0.13 0.00 0.00 1.72 0.00 0.00 39.33 41.68 2pkq h ASP 162 CO 0.16 0.67 0.00 1.21 -2.88 0.00 0.00 179.24 178.40 2pkq n GLU 163 N -4.59 0.07 -1.68 0.28 2.13 0.30 -0.77 120.64 116.38 2pkq n GLU 163 Ca -0.02 0.27 -0.01 0.00 0.66 0.00 0.00 57.16 58.06 2pkq n GLU 163 Cb 0.24 -1.50 0.01 0.00 0.27 0.00 0.00 31.44 30.46 2pkq n GLU 163 CO 0.00 0.00 0.00 0.39 -0.41 0.00 0.00 177.13 177.11 2pkq n GLU 164 N -1.38 0.43 0.00 5.31 1.02 -1.05 -4.90 120.64 120.07 2pkq n GLU 164 Ca 0.03 -1.78 0.00 0.00 -0.02 0.00 0.00 57.16 55.39 2pkq n GLU 164 Cb 0.08 -0.01 0.00 0.00 -0.02 0.00 0.00 31.44 31.49 2pkq n GLU 164 CO 0.00 0.00 0.00 -0.11 1.18 0.00 0.00 177.13 178.20 2pkq n LEU 165 N -0.10 0.00 -1.81 -4.62 7.94 -0.49 -4.95 117.00 112.97 2pkq n LEU 165 Ca -0.09 0.00 -0.02 0.00 -1.11 0.00 0.00 56.01 54.80 2pkq n LEU 165 Cb 0.91 0.00 -0.01 0.00 0.53 0.00 0.00 43.42 44.85 2pkq n LEU 165 CO -0.07 0.00 -0.25 0.61 -1.11 0.00 0.00 177.39 176.56 2pkq n GLY 166 N -0.01 -3.96 3.57 -3.96 0.00 0.05 -1.69 105.19 99.18 2pkq n GLY 166 Ca 0.00 0.25 -0.43 0.00 0.00 0.00 0.00 46.02 45.84 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 4.48 0.04 -0.61 1.01 -1.26 -0.25 121.20 124.34 2pkq s ILE 167 Ca -0.08 0.78 -0.32 0.00 0.00 0.00 0.00 60.65 61.03 2pkq s ILE 167 Cb 0.01 -4.43 -0.18 0.00 0.01 0.00 0.00 42.46 37.87 2pkq s ILE 167 CO 0.22 -0.81 1.33 0.58 0.00 0.00 0.00 174.94 176.26 2pkq h VAL 168 N 6.06 0.05 0.00 2.92 2.07 -1.81 -3.47 116.25 122.07 2pkq h VAL 168 Ca -0.24 -0.17 0.00 0.00 0.82 0.00 0.00 66.70 67.11 2pkq h VAL 168 Cb 1.08 0.06 0.00 0.00 -1.52 0.00 0.00 31.29 30.91 2pkq h VAL 168 CO 1.02 0.00 0.00 2.29 0.02 0.00 0.00 177.57 180.91 2pkq n LYS 169 N -5.51 0.00 -3.66 1.57 -0.00 -1.25 -4.97 118.16 104.34 2pkq n LYS 169 Ca -0.14 0.00 -0.01 0.00 -0.00 0.00 0.00 58.31 58.16 2pkq n LYS 169 Cb 0.44 0.00 -0.01 0.00 -0.00 0.00 0.00 35.03 35.46 2pkq n LYS 169 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.40 177.60 2pkq s GLY 170 N 0.00 -0.35 0.55 2.58 0.00 -1.06 -2.28 107.32 106.76 2pkq s GLY 170 Ca 0.00 0.59 0.08 0.00 0.00 0.00 0.00 44.72 45.39 2pkq s GLY 170 CO 0.00 0.12 0.63 -1.08 0.00 0.00 0.00 173.10 172.77 2pkq s THR 171 N -2.73 2.04 -0.02 0.90 -1.32 -1.04 -3.60 115.64 109.88 2pkq s THR 171 Ca 0.13 -1.19 -0.28 0.00 -1.21 0.00 0.00 61.69 59.14 2pkq s THR 171 Cb 0.02 -2.22 0.10 0.00 -1.51 0.00 0.00 72.50 68.89 2pkq s THR 171 CO -0.02 0.00 0.83 0.00 -2.21 0.00 0.00 174.62 173.22 2pkq s MET 172 N -4.49 0.88 0.12 7.08 0.23 -0.48 -0.90 119.30 121.73 2pkq s MET 172 Ca 0.51 -0.15 0.02 0.00 -1.03 0.00 0.00 55.69 55.04 2pkq s MET 172 Cb -0.05 0.41 -0.04 0.00 -1.53 0.00 0.00 34.83 33.62 2pkq s MET 172 CO 0.32 -0.35 -0.05 0.99 -2.03 0.00 0.00 175.02 173.90 2pkq s THR 173 N -2.51 0.69 -0.21 3.16 2.01 -0.86 -2.84 115.64 115.09 2pkq s THR 173 Ca 0.01 -1.95 -0.04 0.00 0.31 0.00 0.00 61.69 60.02 2pkq s THR 173 Cb -0.01 -1.80 0.10 0.00 0.01 0.00 0.00 72.50 70.81 2pkq s THR 173 CO -0.05 -0.77 0.25 0.28 -0.69 0.00 0.00 174.62 173.64 2pkq s THR 174 N -3.63 -0.37 -0.55 -0.82 -1.32 -1.23 0.48 115.64 108.20 2pkq s THR 174 Ca 0.15 -0.14 -0.28 0.00 -1.21 0.00 0.00 61.69 60.22 2pkq s THR 174 Cb 0.05 -0.72 0.01 0.00 -1.51 0.00 0.00 72.50 70.34 2pkq s THR 174 CO -0.02 -0.21 1.41 -0.89 -2.21 0.00 0.00 174.62 172.69 2pkq s THR 175 N 2.36 3.80 -0.09 5.08 2.01 -0.39 -0.58 115.64 127.83 2pkq s THR 175 Ca 0.08 0.69 0.01 0.00 0.31 0.00 0.00 61.69 62.78 2pkq s THR 175 Cb -0.16 -4.43 -0.02 0.00 0.01 0.00 0.00 72.50 67.90 2pkq s THR 175 CO -0.14 -1.15 -0.11 -2.28 -0.69 0.00 0.00 174.62 170.26 2pkq s HIS 176 N 6.01 2.84 0.34 4.92 5.04 0.16 -1.53 115.29 133.06 2pkq s HIS 176 Ca 0.53 -0.28 -0.29 0.00 -1.54 0.00 0.00 55.06 53.48 2pkq s HIS 176 Cb -0.11 -1.76 -0.11 0.00 0.04 0.00 0.00 32.58 30.64 2pkq s HIS 176 CO 0.25 0.07 1.55 -1.12 -2.34 0.00 0.00 174.74 173.16 2pkq s SER 177 N -0.27 6.33 0.95 9.88 0.01 -1.26 -1.82 113.70 127.52 2pkq s SER 177 Ca 0.03 3.03 -0.11 0.00 1.31 0.00 0.00 55.95 60.20 2pkq s SER 177 Cb -0.13 -2.65 0.13 0.00 0.21 0.00 0.00 66.02 63.57 2pkq s SER 177 CO 0.03 -0.92 0.90 0.00 0.41 0.00 0.00 173.24 173.66 2pkq n TYR 178 N 1.27 0.01 -4.09 2.43 0.18 -1.17 -4.84 117.16 110.95 2pkq n TYR 178 Ca 0.05 0.31 -0.07 0.00 1.88 0.00 0.00 57.90 60.06 2pkq n TYR 178 Cb 0.38 -1.91 -0.10 0.00 -0.38 0.00 0.00 39.34 37.33 2pkq n TYR 178 CO 0.00 0.00 0.00 0.95 -2.08 0.00 0.00 176.86 175.73 2pkq s THR 179 N -2.55 0.25 0.45 -3.48 -4.23 -1.26 -4.75 115.64 100.08 2pkq s THR 179 Ca 0.64 -1.78 0.38 0.00 -1.18 0.00 0.00 61.69 59.75 2pkq s THR 179 Cb -0.22 -1.48 0.56 0.00 1.34 0.00 0.00 72.50 72.70 2pkq s THR 179 CO 0.61 -0.97 1.41 0.61 -0.54 0.00 0.00 174.62 175.74 2pkq n GLY 180 N 0.17 -0.83 0.00 3.99 0.00 -1.26 0.40 105.19 107.66 2pkq n GLY 180 Ca -0.14 0.66 0.08 0.00 0.00 0.00 0.00 46.02 46.61 2pkq n GLY 180 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2pkq n ASP 181 N -4.12 0.00 -4.91 1.61 5.75 -1.26 -4.74 116.55 108.88 2pkq n ASP 181 Ca 0.38 -0.01 -0.28 0.00 -0.01 0.00 0.00 54.79 54.87 2pkq n ASP 181 Cb 1.62 -0.26 -0.03 0.00 -1.03 0.00 0.00 41.12 41.43 2pkq n ASP 181 CO 0.00 0.00 0.00 -1.10 -0.11 0.00 0.00 177.20 175.99 2pkq s GLN 182 N -2.51 3.58 0.45 0.11 -0.21 0.16 -4.92 119.66 116.33 2pkq s GLN 182 Ca 0.17 -0.14 -0.21 0.00 0.02 0.00 0.00 55.36 55.20 2pkq s GLN 182 Cb 0.11 -2.73 -0.10 0.00 1.00 0.00 0.00 33.01 31.29 2pkq s GLN 182 CO 0.25 0.29 0.98 0.50 -2.12 0.00 0.00 175.29 175.19 2pkq s ARG 183 N -3.46 4.06 0.01 2.91 6.06 -0.08 -4.90 118.95 123.55 2pkq s ARG 183 Ca 0.42 1.21 -0.15 0.00 -2.50 0.00 0.00 55.73 54.70 2pkq s ARG 183 Cb -0.11 -2.15 -0.35 0.00 0.06 0.00 0.00 34.95 32.41 2pkq s ARG 183 CO 0.30 -0.19 0.94 1.25 -2.50 0.00 0.00 175.30 175.09 2pkq h LEU 184 N 1.75 0.80 -8.22 -0.88 5.85 -1.90 -0.20 115.31 112.52 2pkq h LEU 184 Ca -0.49 -0.92 -0.28 0.00 0.84 0.00 0.00 57.88 57.02 2pkq h LEU 184 Cb 1.20 -0.26 -0.20 0.00 0.37 0.00 0.00 40.66 41.76 2pkq h LEU 184 CO 0.60 1.72 -0.73 -0.76 -0.34 0.00 0.00 178.44 178.93 2pkq s LEU 185 N -7.56 2.29 -0.74 2.25 1.43 -1.26 -3.91 118.68 111.17 2pkq s LEU 185 Ca -0.10 -0.61 -0.35 0.00 -1.03 0.00 0.00 54.13 52.04 2pkq s LEU 185 Cb 0.04 -0.18 -0.18 0.00 0.03 0.00 0.00 46.19 45.89 2pkq s LEU 185 CO 0.93 -0.22 2.46 0.47 0.23 0.00 0.00 176.35 180.22 2pkq n ASP 186 N 1.27 0.82 -3.99 2.29 9.92 -1.25 -4.60 116.55 121.01 2pkq n ASP 186 Ca -0.21 0.27 -0.09 0.00 -0.53 0.00 0.00 54.79 54.23 2pkq n ASP 186 Cb 0.55 -1.02 -0.08 0.00 -0.64 0.00 0.00 41.12 39.94 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 8.31 0.16 0.18 2.24 0.00 -0.74 -5.00 121.76 126.92 2pkq s ALA 187 Ca 1.25 -0.98 -0.33 0.00 0.00 0.00 0.00 51.96 51.90 2pkq s ALA 187 Cb -1.17 0.81 -0.15 0.00 0.00 0.00 0.00 23.12 22.61 2pkq s ALA 187 CO 0.51 -0.59 1.28 0.43 0.00 0.00 0.00 175.76 177.39 2pkq n SER 188 N -0.17 1.93 -3.64 0.00 7.64 -1.26 -4.59 113.62 113.53 2pkq n SER 188 Ca -0.08 1.14 -0.07 0.00 1.01 0.00 0.00 58.87 60.87 2pkq n SER 188 Cb 0.63 -1.29 -0.07 0.00 -1.01 0.00 0.00 64.21 62.47 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 -0.01 -0.73 0.16 1.43 5.04 -1.26 -4.97 115.29 114.96 2pkq s HIS 190 Ca 0.73 1.53 0.08 0.00 -1.54 0.00 0.00 55.06 55.87 2pkq s HIS 190 Cb -0.79 0.43 0.46 0.00 0.04 0.00 0.00 32.58 32.72 2pkq s HIS 190 CO 0.50 -0.36 1.10 0.07 -2.34 0.00 0.00 174.74 173.71 2pkq h ARG 191 N 5.83 0.00 -3.98 2.88 0.11 -1.94 -3.27 114.38 114.01 2pkq h ARG 191 Ca -0.29 0.00 -0.62 0.00 0.10 0.00 0.00 59.98 59.17 2pkq h ARG 191 Cb 1.20 0.00 -0.40 0.00 1.11 0.00 0.00 29.97 31.88 2pkq h ARG 191 CO 0.15 0.00 -0.73 0.34 0.10 0.00 0.00 179.97 179.83 2pkq s ASP 192 N -3.09 4.33 0.00 0.08 -1.08 -1.26 -5.00 116.67 110.66 2pkq s ASP 192 Ca -0.01 -2.02 0.00 0.00 -0.52 0.00 0.00 52.55 50.00 2pkq s ASP 192 Cb 0.02 -1.25 0.00 0.00 -1.46 0.00 0.00 42.92 40.23 2pkq s ASP 192 CO 0.08 -0.38 0.08 0.18 0.52 0.00 0.00 175.17 175.65 2pkq n LEU 193 N 4.38 0.00 -0.11 -1.34 4.32 -1.23 -0.33 117.00 122.69 2pkq n LEU 193 Ca 0.02 0.00 -0.22 0.00 -0.02 0.00 0.00 56.01 55.79 2pkq n LEU 193 Cb 0.41 0.00 -0.09 0.00 -1.62 0.00 0.00 43.42 42.12 2pkq n LEU 193 CO 0.18 0.00 -1.26 0.54 -1.22 0.00 0.00 177.39 175.63 2pkq n ARG 194 N -0.43 0.49 0.22 3.23 5.12 -1.26 -4.33 116.66 119.70 2pkq n ARG 194 Ca 0.00 0.19 0.15 0.00 -1.93 0.00 0.00 57.85 56.26 2pkq n ARG 194 Cb 0.00 -1.33 0.63 0.00 -1.16 0.00 0.00 32.46 30.60 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 -0.62 0.00 0.00 5.56 3.08 -1.01 -1.98 114.38 119.42 2pkq h ARG 195 Ca -0.55 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.50 2pkq h ARG 195 Cb 1.56 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.61 2pkq h ARG 195 CO -0.28 0.00 0.00 0.00 -1.07 0.00 0.00 179.97 178.62 2pkq n ALA 196 N -1.96 2.55 -2.87 0.04 0.00 -0.83 -0.90 120.51 116.54 2pkq n ALA 196 Ca 0.01 -0.18 -0.34 0.00 0.00 0.00 0.00 53.44 52.93 2pkq n ALA 196 Cb 0.27 -1.46 -0.06 0.00 0.00 0.00 0.00 19.45 18.20 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 -2.03 3.34 -0.66 0.00 1.81 -0.75 -1.79 118.95 118.88 2pkq s ARG 197 Ca 0.42 -0.32 -0.16 0.00 -1.72 0.00 0.00 55.73 53.95 2pkq s ARG 197 Cb 0.20 -3.06 -0.17 0.00 -0.45 0.00 0.00 34.95 31.47 2pkq s ARG 197 CO 0.33 0.69 1.66 0.00 -0.68 0.00 0.00 175.30 177.31 2pkq n ALA 198 N 1.25 0.37 -0.37 2.13 0.00 -1.26 -4.41 120.51 118.22 2pkq n ALA 198 Ca -0.13 -0.30 0.31 0.00 0.00 0.00 0.00 53.44 53.32 2pkq n ALA 198 Cb 0.53 -1.52 0.62 0.00 0.00 0.00 0.00 19.45 19.08 2pkq n ALA 198 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2pkq h ALA 199 N 7.69 2.66 0.00 0.00 0.00 -1.14 -1.20 119.26 127.26 2pkq h ALA 199 Ca -0.01 0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.93 2pkq h ALA 199 Cb 0.82 0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.70 2pkq h ALA 199 CO 0.96 -1.11 -0.19 0.00 0.00 0.00 0.00 179.25 178.92 2pkq n ALA 200 N -2.59 2.66 -1.74 0.00 0.00 -1.26 -4.21 120.51 113.38 2pkq n ALA 200 Ca 0.29 -0.16 0.05 0.00 0.00 0.00 0.00 53.44 53.62 2pkq n ALA 200 Cb 1.15 -1.35 0.09 0.00 0.00 0.00 0.00 19.45 19.34 2pkq n ALA 200 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 177.50 178.97 2pkq n LEU 201 N -1.76 1.53 -3.90 0.00 -0.00 -0.46 -4.60 117.00 107.81 2pkq n LEU 201 Ca 0.06 -2.50 -0.10 0.00 -0.00 0.00 0.00 56.01 53.47 2pkq n LEU 201 Cb 0.37 -0.25 -0.09 0.00 -0.00 0.00 0.00 43.42 43.45 2pkq n LEU 201 CO 0.31 0.71 -0.18 0.20 -0.00 0.00 0.00 177.39 178.42 2pkq s ASN 202 N -2.28 0.13 -0.25 1.45 0.01 -1.20 -5.03 114.94 107.77 2pkq s ASN 202 Ca 0.25 -0.47 -0.16 0.00 -0.71 0.00 0.00 52.86 51.77 2pkq s ASN 202 Cb 0.25 0.24 -0.03 0.00 0.41 0.00 0.00 41.25 42.12 2pkq s ASN 202 CO -0.04 -0.51 0.43 -0.63 -1.51 0.00 0.00 177.10 174.84 2pkq s ILE 203 N -2.52 5.14 -0.26 0.60 1.01 -1.24 -4.21 121.20 119.72 2pkq s ILE 203 Ca -0.06 0.72 0.02 0.00 0.00 0.00 0.00 60.65 61.34 2pkq s ILE 203 Cb -0.02 -3.75 0.06 0.00 0.01 0.00 0.00 42.46 38.76 2pkq s ILE 203 CO -0.04 0.15 -0.11 -0.69 0.00 0.00 0.00 174.94 174.25 2pkq s VAL 204 N 2.01 2.23 0.02 2.92 1.01 0.24 -4.85 120.40 123.97 2pkq s VAL 204 Ca 0.18 -1.55 -0.30 0.00 0.00 0.00 0.00 61.98 60.30 2pkq s VAL 204 Cb -0.16 -2.28 -0.05 0.00 0.00 0.00 0.00 36.38 33.90 2pkq s VAL 204 CO 0.09 0.02 1.22 -2.84 0.00 0.00 0.00 175.10 173.59 2pkq s PRO 205 N 1.13 4.39 -0.15 2.72 0.02 -1.26 0.20 135.00 142.05 2pkq s PRO 205 Ca -0.07 1.76 -0.11 0.00 0.02 0.00 0.00 61.00 62.60 2pkq s PRO 205 Cb -0.19 -3.44 0.05 0.00 0.02 0.00 0.00 34.50 30.94 2pkq s PRO 205 CO -0.05 -0.35 0.39 0.95 -0.33 0.00 0.00 177.00 177.60 2pkq s THR 206 N 1.57 -0.02 1.01 0.99 -4.23 -0.55 -4.85 115.64 109.58 2pkq s THR 206 Ca 0.58 0.06 -0.17 0.00 -1.18 0.00 0.00 61.69 60.98 2pkq s THR 206 Cb -0.28 -0.56 -0.02 0.00 1.34 0.00 0.00 72.50 72.98 2pkq s THR 206 CO 0.27 0.02 -0.25 -1.54 -0.54 0.00 0.00 174.62 172.58 2pkq n SER 207 N 3.65 -3.16 -3.62 3.99 3.41 -1.26 -2.96 113.62 113.66 2pkq n SER 207 Ca -0.19 0.13 -0.04 0.00 -0.26 0.00 0.00 58.87 58.50 2pkq n SER 207 Cb 0.56 -0.94 -0.06 0.00 -0.26 0.00 0.00 64.21 63.51 2pkq n SER 207 CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 175.04 175.16 2pkq s THR 208 N -2.21 -0.16 -0.35 6.66 -1.32 -1.26 -4.76 115.64 112.24 2pkq s THR 208 Ca 0.50 0.00 0.23 0.00 -1.21 0.00 0.00 61.69 61.21 2pkq s THR 208 Cb -0.13 -1.00 0.18 0.00 -1.51 0.00 0.00 72.50 70.04 2pkq s THR 208 CO 0.70 0.00 1.35 1.23 -2.21 0.00 0.00 174.62 175.69 2pkq h GLY 209 N 6.85 0.00 -1.33 6.08 0.00 -1.96 -3.36 103.07 109.35 2pkq h GLY 209 Ca -0.27 0.00 0.39 0.00 0.00 0.00 0.00 47.33 47.45 2pkq h GLY 209 CO 0.16 0.00 0.95 0.00 0.00 0.00 0.00 176.54 177.65 2pkq n ALA 210 N -2.14 1.28 0.23 3.60 0.00 -1.26 0.80 120.51 123.01 2pkq n ALA 210 Ca 0.02 0.46 -0.10 0.00 0.00 0.00 0.00 53.44 53.83 2pkq n ALA 210 Cb 0.54 -0.78 -0.05 0.00 0.00 0.00 0.00 19.45 19.16 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 0.71 -0.66 0.24 0.00 0.00 -1.92 -3.27 119.26 114.37 2pkq h ALA 211 Ca 0.64 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 55.42 2pkq h ALA 211 Cb 2.55 0.24 -0.02 0.00 0.00 0.00 0.00 17.79 20.56 2pkq h ALA 211 CO -0.03 -0.61 -0.27 0.87 0.00 0.00 0.00 179.25 179.20 2pkq h LYS 212 N -1.12 -0.54 0.00 0.00 1.57 0.12 -2.49 116.57 114.11 2pkq h LYS 212 Ca -0.06 0.04 0.00 0.00 -1.87 0.00 0.00 60.65 58.75 2pkq h LYS 212 Cb 0.48 0.12 0.00 0.00 0.08 0.00 0.00 32.23 32.92 2pkq h LYS 212 CO 0.11 -0.36 0.62 0.00 -0.57 0.00 0.00 179.45 179.25 2pkq h ALA 213 N 0.08 1.50 -0.82 3.86 0.00 -1.44 -0.02 119.26 122.42 2pkq h ALA 213 Ca -0.00 0.00 0.14 0.00 0.00 0.00 0.00 54.91 55.05 2pkq h ALA 213 Cb 0.53 0.00 -0.09 0.00 0.00 0.00 0.00 17.79 18.23 2pkq h ALA 213 CO -0.08 -0.50 0.41 0.28 0.00 0.00 0.00 179.25 179.36 2pkq h VAL 214 N 0.00 0.74 -0.54 0.00 2.07 -1.49 -0.80 116.25 116.23 2pkq h VAL 214 Ca 0.00 -0.21 0.11 0.00 0.82 0.00 0.00 66.70 67.42 2pkq h VAL 214 Cb 1.24 0.08 -0.09 0.00 -1.52 0.00 0.00 31.29 31.00 2pkq h VAL 214 CO 0.00 0.11 0.00 0.77 0.02 0.00 0.00 177.57 178.47 2pkq h SER 215 N 0.60 -0.23 -1.42 0.57 4.64 -1.13 0.37 113.55 116.96 2pkq h SER 215 Ca 0.44 0.13 0.41 0.00 -0.47 0.00 0.00 61.79 62.30 2pkq h SER 215 Cb 0.61 0.23 -0.06 0.00 -0.31 0.00 0.00 62.40 62.87 2pkq h SER 215 CO -0.35 -0.08 1.27 0.18 -0.87 0.00 0.00 176.83 176.97 2pkq n LEU 216 N -5.25 0.00 -0.02 5.97 7.99 -0.30 0.77 117.00 126.16 2pkq n LEU 216 Ca 0.07 0.83 -0.00 0.00 -0.01 0.00 0.00 56.01 56.90 2pkq n LEU 216 Cb 0.30 -0.35 -0.06 0.00 -0.11 0.00 0.00 43.42 43.20 2pkq n LEU 216 CO 0.14 -0.83 -0.66 1.33 -1.51 0.00 0.00 177.39 175.85 2pkq n VAL 217 N -3.48 0.27 -3.74 4.08 0.24 -0.40 -4.77 118.33 110.53 2pkq n VAL 217 Ca 0.32 -0.24 -0.28 0.00 -2.04 0.00 0.00 64.34 62.11 2pkq n VAL 217 Cb 1.70 -0.32 -0.11 0.00 -1.47 0.00 0.00 33.84 33.63 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 -2.04 2.36 -0.23 1.34 4.32 0.23 -4.76 117.00 118.22 2pkq n LEU 218 Ca -0.07 -5.06 0.02 0.00 -0.02 0.00 0.00 56.01 50.87 2pkq n LEU 218 Cb 0.49 -0.47 0.10 0.00 -1.62 0.00 0.00 43.42 41.93 2pkq n LEU 218 CO 0.15 1.81 0.78 1.55 -1.22 0.00 0.00 177.39 180.46 2pkq h PRO 219 N 5.28 0.05 -1.76 3.23 0.13 -1.45 -1.80 132.00 135.68 2pkq h PRO 219 Ca 0.18 -0.00 0.51 0.00 -0.87 0.00 0.00 66.00 65.81 2pkq h PRO 219 Cb 0.78 -0.01 -0.07 0.00 0.13 0.00 0.00 31.00 31.82 2pkq h PRO 219 CO 0.66 0.03 1.28 -0.56 -0.23 0.00 0.00 178.00 179.18 2pkq h GLN 220 N 0.05 0.00 0.00 0.86 -0.00 -1.93 0.88 115.11 114.96 2pkq h GLN 220 Ca 0.35 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 59.00 2pkq h GLN 220 Cb 0.57 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 28.05 2pkq h GLN 220 CO -0.65 0.00 -0.66 1.28 -0.00 0.00 0.00 178.83 178.80 2pkq n LEU 221 N -3.98 0.61 -1.82 0.06 4.32 -0.68 -4.98 117.00 110.54 2pkq n LEU 221 Ca 0.39 0.09 -0.26 0.00 -0.02 0.00 0.00 56.01 56.21 2pkq n LEU 221 Cb 1.82 -0.19 -0.04 0.00 -1.62 0.00 0.00 43.42 43.38 2pkq n LEU 221 CO 0.43 0.03 0.59 1.17 -1.22 0.00 0.00 177.39 178.40 2pkq n LYS 222 N -1.85 0.00 -1.92 3.23 4.81 0.30 -0.38 118.16 122.36 2pkq n LYS 222 Ca 0.04 0.00 -0.09 0.00 -0.87 0.00 0.00 58.31 57.39 2pkq n LYS 222 Cb 0.40 -0.61 -0.01 0.00 0.02 0.00 0.00 35.03 34.83 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 2.37 0.30 0.02 3.14 0.00 -1.26 -4.92 105.19 104.84 2pkq n GLY 223 Ca 0.18 -0.53 -0.01 0.00 0.00 0.00 0.00 46.02 45.66 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 -2.13 2.84 -2.63 1.61 5.02 0.49 -5.04 118.16 118.31 2pkq n LYS 224 Ca -0.11 -0.01 -0.21 0.00 -2.02 0.00 0.00 58.31 55.97 2pkq n LYS 224 Cb 0.51 -1.09 0.10 0.00 -0.02 0.00 0.00 35.03 34.52 2pkq n LYS 224 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 2pkq n LEU 225 N -2.05 0.00 0.00 -0.35 4.77 -1.26 -2.56 117.00 115.55 2pkq n LEU 225 Ca -0.05 -2.16 0.00 0.00 -0.03 0.00 0.00 56.01 53.77 2pkq n LEU 225 Cb 0.53 -0.55 0.00 0.00 -2.33 0.00 0.00 43.42 41.07 2pkq n LEU 225 CO 0.08 -0.88 0.00 -3.20 -1.33 0.00 0.00 177.39 172.06 2pkq n ASN 226 N -2.72 0.00 0.00 -1.43 2.85 -1.24 -4.66 115.26 108.06 2pkq n ASN 226 Ca 0.16 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.63 2pkq n ASN 226 Cb 0.57 0.00 0.00 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 -1.09 -2.16 0.00 8.20 0.00 -1.26 -1.38 105.19 107.50 2pkq n GLY 227 Ca 0.00 -1.21 0.00 0.00 0.00 0.00 0.00 46.02 44.81 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 1.26 0.00 -3.68 -0.61 -0.00 -1.13 -4.29 119.36 110.91 2pkq n ILE 228 Ca 0.00 0.00 -0.15 0.00 -0.00 0.00 0.00 62.75 62.60 2pkq n ILE 228 Cb 0.00 -0.37 -0.08 0.00 -0.00 0.00 0.00 39.64 39.18 2pkq n ILE 228 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.55 176.55 2pkq s ALA 229 N -2.00 -1.21 -0.15 -1.28 0.00 -1.15 -3.52 121.76 112.45 2pkq s ALA 229 Ca 0.00 1.00 0.00 0.00 0.00 0.00 0.00 51.96 52.96 2pkq s ALA 229 Cb 0.00 -0.29 0.03 0.00 0.00 0.00 0.00 23.12 22.86 2pkq s ALA 229 CO 0.00 -0.28 -0.11 -0.51 0.00 0.00 0.00 175.76 174.86 2pkq s LEU 230 N -0.67 1.67 -0.18 0.00 1.43 0.26 -1.48 118.68 119.71 2pkq s LEU 230 Ca -0.08 -0.54 -0.25 0.00 -1.03 0.00 0.00 54.13 52.24 2pkq s LEU 230 Cb -0.03 -1.08 -0.02 0.00 0.03 0.00 0.00 46.19 45.09 2pkq s LEU 230 CO 0.04 -0.10 0.81 -0.13 0.23 0.00 0.00 176.35 177.20 2pkq s ARG 231 N 1.54 4.28 0.00 1.70 1.81 0.13 0.35 118.95 128.77 2pkq s ARG 231 Ca 0.03 0.96 0.05 0.00 -1.72 0.00 0.00 55.73 55.06 2pkq s ARG 231 Cb -0.14 -3.58 -0.02 0.00 -0.45 0.00 0.00 34.95 30.77 2pkq s ARG 231 CO -0.09 -0.33 -0.16 0.14 -0.68 0.00 0.00 175.30 174.18 2pkq s VAL 232 N 2.15 1.29 0.00 3.52 -7.23 -0.76 0.79 120.40 120.16 2pkq s VAL 232 Ca 0.37 -0.79 -0.08 0.00 -1.81 0.00 0.00 61.98 59.66 2pkq s VAL 232 Cb -0.16 -1.09 -0.10 0.00 0.56 0.00 0.00 36.38 35.58 2pkq s VAL 232 CO 0.12 0.28 0.76 -2.65 -0.31 0.00 0.00 175.10 173.30 2pkq n PRO 233 N 2.46 0.00 -3.38 4.82 -0.02 -1.26 -3.45 135.00 134.17 2pkq n PRO 233 Ca -0.15 -0.29 -0.15 0.00 -2.02 0.00 0.00 63.50 60.89 2pkq n PRO 233 Cb 0.54 -1.44 -0.09 0.00 -0.02 0.00 0.00 33.50 32.49 2pkq n PRO 233 CO 0.00 0.00 0.00 -0.08 1.98 0.00 0.00 175.50 177.40 2pkq s THR 234 N 3.93 -0.47 0.32 3.45 -1.32 -1.26 -5.01 115.64 115.28 2pkq s THR 234 Ca 0.18 -0.35 0.08 0.00 -1.21 0.00 0.00 61.69 60.39 2pkq s THR 234 Cb 0.04 -0.93 0.08 0.00 -1.51 0.00 0.00 72.50 70.18 2pkq s THR 234 CO 0.09 -0.36 1.12 1.55 -2.21 0.00 0.00 174.62 174.82 2pkq h PRO 235 N 8.24 0.00 -1.44 7.08 0.13 -1.86 -3.09 132.00 141.06 2pkq h PRO 235 Ca -0.14 0.00 0.21 0.00 -0.87 0.00 0.00 66.00 65.20 2pkq h PRO 235 Cb 1.10 0.00 -0.22 0.00 0.13 0.00 0.00 31.00 32.02 2pkq h PRO 235 CO 0.31 0.00 0.77 1.21 -0.23 0.00 0.00 178.00 180.06 2pkq s ASN 236 N -3.13 -0.17 0.00 1.44 2.47 -1.26 -4.80 114.94 109.49 2pkq s ASN 236 Ca -0.01 0.09 0.00 0.00 0.42 0.00 0.00 52.86 53.36 2pkq s ASN 236 Cb 0.02 0.16 0.00 0.00 -1.45 0.00 0.00 41.25 39.99 2pkq s ASN 236 CO 0.07 -0.23 0.00 0.52 -3.72 0.00 0.00 177.10 173.74 2pkq n VAL 237 N 0.21 -1.69 -4.47 -5.21 0.31 -1.26 -4.86 118.33 101.36 2pkq n VAL 237 Ca -0.02 0.00 -0.23 0.00 -0.01 0.00 0.00 64.34 64.08 2pkq n VAL 237 Cb 0.59 -1.89 -0.09 0.00 -0.91 0.00 0.00 33.84 31.53 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 0.00 2.47 0.01 4.52 0.01 -0.15 -4.35 113.70 116.21 2pkq s SER 238 Ca 0.00 -1.52 0.02 0.00 1.31 0.00 0.00 55.95 55.76 2pkq s SER 238 Cb 0.00 0.23 -0.01 0.00 0.21 0.00 0.00 66.02 66.45 2pkq s SER 238 CO 0.00 -0.78 -0.07 0.54 0.41 0.00 0.00 173.24 173.34 2pkq s VAL 239 N -3.30 0.53 -0.01 3.43 0.11 -0.58 -1.78 120.40 118.80 2pkq s VAL 239 Ca 0.30 -0.49 0.01 0.00 -2.93 0.00 0.00 61.98 58.87 2pkq s VAL 239 Cb 0.06 -0.49 -0.04 0.00 -1.53 0.00 0.00 36.38 34.38 2pkq s VAL 239 CO 0.15 0.01 -0.01 0.68 -3.33 0.00 0.00 175.10 172.60 2pkq s VAL 240 N -0.47 4.10 -0.67 2.04 -7.23 -0.61 -1.26 120.40 116.31 2pkq s VAL 240 Ca -0.01 -0.58 0.05 0.00 -1.81 0.00 0.00 61.98 59.64 2pkq s VAL 240 Cb -0.04 -2.81 0.16 0.00 0.56 0.00 0.00 36.38 34.25 2pkq s VAL 240 CO 0.00 0.41 0.46 -0.62 -0.31 0.00 0.00 175.10 175.04 2pkq s ASP 241 N -1.44 4.69 0.05 4.85 2.15 0.18 -1.92 116.67 125.22 2pkq s ASP 241 Ca 0.18 -3.72 -0.27 0.00 0.43 0.00 0.00 52.55 49.17 2pkq s ASP 241 Cb -0.11 -1.61 -0.05 0.00 -0.30 0.00 0.00 42.92 40.84 2pkq s ASP 241 CO 0.09 -0.11 0.87 -0.22 -0.17 0.00 0.00 175.17 175.63 2pkq s LEU 242 N -1.26 4.44 -0.51 -1.34 2.96 -0.64 -2.02 118.68 120.30 2pkq s LEU 242 Ca 0.24 1.58 0.05 0.00 -0.22 0.00 0.00 54.13 55.78 2pkq s LEU 242 Cb -0.08 -3.40 0.19 0.00 0.50 0.00 0.00 46.19 43.41 2pkq s LEU 242 CO -0.14 -0.08 0.46 0.52 -1.32 0.00 0.00 176.35 175.79 2pkq n VAL 243 N 3.11 0.04 -3.90 1.68 0.31 -0.08 -1.12 118.33 118.37 2pkq n VAL 243 Ca 0.01 -4.12 -0.36 0.00 -0.01 0.00 0.00 64.34 59.87 2pkq n VAL 243 Cb 0.50 -1.90 -0.12 0.00 -0.91 0.00 0.00 33.84 31.41 2pkq n VAL 243 CO 0.00 0.00 0.00 0.68 -1.32 0.00 0.00 176.83 176.19 2pkq s VAL 244 N -0.86 4.42 -0.41 2.52 -7.23 -0.97 -2.49 120.40 115.38 2pkq s VAL 244 Ca 0.32 -0.15 -0.29 0.00 -1.81 0.00 0.00 61.98 60.05 2pkq s VAL 244 Cb 0.05 -3.03 0.02 0.00 0.56 0.00 0.00 36.38 33.99 2pkq s VAL 244 CO -0.16 0.39 1.10 0.54 -0.31 0.00 0.00 175.10 176.66 2pkq s ASN 245 N 1.12 6.76 1.11 4.85 2.20 -0.97 -2.22 114.94 127.80 2pkq s ASN 245 Ca 0.04 0.72 -0.15 0.00 -0.94 0.00 0.00 52.86 52.52 2pkq s ASN 245 Cb -0.14 -2.54 0.17 0.00 -2.00 0.00 0.00 41.25 36.74 2pkq s ASN 245 CO 0.03 -1.08 0.52 0.00 -2.94 0.00 0.00 177.10 173.63 2pkq n ILE 246 N 6.39 0.00 -0.13 0.54 0.13 0.72 -3.40 119.36 123.61 2pkq n ILE 246 Ca 0.12 -0.32 -0.20 0.00 -1.10 0.00 0.00 62.75 61.24 2pkq n ILE 246 Cb 0.48 -0.78 -0.12 0.00 -0.84 0.00 0.00 39.64 38.38 2pkq n ILE 246 CO 0.00 0.00 0.00 1.21 2.80 0.00 0.00 176.55 180.56 2pkq n GLU 247 N -3.30 0.64 -0.52 9.51 2.13 0.65 -4.62 120.64 125.14 2pkq n GLU 247 Ca 0.03 0.17 -0.29 0.00 0.66 0.00 0.00 57.16 57.73 2pkq n GLU 247 Cb 0.57 -1.52 0.24 0.00 0.27 0.00 0.00 31.44 31.00 2pkq n GLU 247 CO 0.00 0.00 0.00 1.17 -0.41 0.00 0.00 177.13 177.89 2pkq n LYS 248 N -3.41 -2.29 0.00 5.31 4.81 -0.68 -4.92 118.16 116.98 2pkq n LYS 248 Ca -0.47 -0.64 0.00 0.00 -0.87 0.00 0.00 58.31 56.33 2pkq n LYS 248 Cb 0.98 -2.08 0.00 0.00 0.02 0.00 0.00 35.03 33.95 2pkq n LYS 248 CO 0.00 0.00 0.00 1.55 1.17 0.00 0.00 177.40 180.12 2pkq n VAL 248 N -4.87 0.00 0.00 3.15 3.14 -1.26 -4.72 118.33 113.76 2pkq n VAL 248 Ca 0.03 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.41 2pkq n VAL 248 Cb 0.55 0.00 0.00 0.00 -1.06 0.00 0.00 33.84 33.33 2pkq n VAL 248 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 2pkq n GLY 249 N 0.00 -0.57 3.39 7.55 0.00 -1.24 -4.65 105.19 109.67 2pkq n GLY 249 Ca 0.00 0.22 -0.31 0.00 0.00 0.00 0.00 46.02 45.94 2pkq n GLY 249 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 2pkq n VAL 250 N 0.00 0.00 -2.68 1.61 0.24 -1.25 -4.76 118.33 111.49 2pkq n VAL 250 Ca 0.00 -0.33 -0.22 0.00 -2.04 0.00 0.00 64.34 61.75 2pkq n VAL 250 Cb 0.00 -0.77 0.09 0.00 -1.47 0.00 0.00 33.84 31.68 2pkq n VAL 250 CO 0.00 0.00 0.00 -0.89 -2.14 0.00 0.00 176.83 173.80 2pkq s THR 251 N -2.34 2.23 0.00 3.34 2.01 -1.26 -4.80 115.64 114.81 2pkq s THR 251 Ca 0.61 -0.68 0.00 0.00 0.31 0.00 0.00 61.69 61.93 2pkq s THR 251 Cb -0.19 -2.54 0.00 0.00 0.01 0.00 0.00 72.50 69.78 2pkq s THR 251 CO 0.65 0.00 0.12 0.00 -0.69 0.00 0.00 174.62 174.71 2pkq n ALA 252 N -2.64 0.00 0.12 7.40 0.00 -1.26 -3.10 120.51 121.02 2pkq n ALA 252 Ca 0.14 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.58 2pkq n ALA 252 Cb 0.61 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.06 2pkq n ALA 252 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 2pkq n GLU 253 N -0.12 0.01 0.02 0.00 -0.58 -1.26 0.11 120.64 118.82 2pkq n GLU 253 Ca 0.00 0.34 -0.19 0.00 -0.42 0.00 0.00 57.16 56.88 2pkq n GLU 253 Cb 0.00 -2.07 -0.14 0.00 -0.57 0.00 0.00 31.44 28.66 2pkq n GLU 253 CO 0.00 0.00 0.00 0.38 -0.48 0.00 0.00 177.13 177.03 2pkq h ASP 254 N 0.00 0.40 -0.40 1.62 2.03 -1.98 -2.89 116.42 115.21 2pkq h ASP 254 Ca 0.00 -0.77 0.08 0.00 -0.73 0.00 0.00 57.03 55.61 2pkq h ASP 254 Cb 1.29 -0.13 -0.09 0.00 -0.83 0.00 0.00 39.33 39.57 2pkq h ASP 254 CO 0.00 1.68 -0.22 0.58 -1.03 0.00 0.00 179.24 180.25 2pkq h VAL 255 N 0.07 0.38 -0.17 4.15 2.07 0.87 -0.79 116.25 122.84 2pkq h VAL 255 Ca -0.37 0.00 0.03 0.00 0.82 0.00 0.00 66.70 67.18 2pkq h VAL 255 Cb 2.04 0.38 -0.05 0.00 -1.52 0.00 0.00 31.29 32.14 2pkq h VAL 255 CO 0.12 0.00 -0.42 0.78 0.02 0.00 0.00 177.57 178.06 2pkq h ASN 256 N -0.15 -1.37 -1.51 0.57 4.21 -1.63 -0.98 115.58 114.73 2pkq h ASN 256 Ca 0.19 0.17 0.50 0.00 1.21 0.00 0.00 56.30 58.37 2pkq h ASN 256 Cb 0.45 0.54 -0.13 0.00 -1.12 0.00 0.00 38.32 38.06 2pkq h ASN 256 CO -0.49 -0.35 1.00 0.78 -1.29 0.00 0.00 177.43 177.08 2pkq h ASN 257 N -0.40 0.16 0.07 5.81 2.35 -0.93 1.07 115.58 123.70 2pkq h ASN 257 Ca 0.03 0.13 -0.00 0.00 -0.55 0.00 0.00 56.30 55.91 2pkq h ASN 257 Cb 0.50 0.13 0.00 0.00 0.05 0.00 0.00 38.32 39.00 2pkq h ASN 257 CO -0.38 -0.21 -0.04 0.00 -1.65 0.00 0.00 177.43 175.16 2pkq h ALA 258 N 1.49 -0.10 0.33 -0.83 0.00 -0.59 0.41 119.26 119.97 2pkq h ALA 258 Ca 0.90 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 55.77 2pkq h ALA 258 Cb 3.04 0.04 -0.00 0.00 0.00 0.00 0.00 17.79 20.86 2pkq h ALA 258 CO -0.38 -0.55 -0.23 0.74 0.00 0.00 0.00 179.25 178.83 2pkq h PHE 259 N -0.11 -0.63 -0.95 0.00 0.04 0.11 0.48 116.94 115.88 2pkq h PHE 259 Ca -0.01 -0.00 0.40 0.00 2.80 0.00 0.00 57.97 61.15 2pkq h PHE 259 Cb 0.09 0.23 -0.17 0.00 2.20 0.00 0.00 35.95 38.30 2pkq h PHE 259 CO -0.07 -0.34 0.51 0.54 -0.60 0.00 0.00 178.31 178.36 2pkq n ARG 260 N -3.76 -0.06 0.11 1.51 1.74 -0.34 0.27 116.66 116.15 2pkq n ARG 260 Ca -0.07 1.30 -0.10 0.00 -0.77 0.00 0.00 57.85 58.21 2pkq n ARG 260 Cb 0.23 -2.33 -0.06 0.00 -1.02 0.00 0.00 32.46 29.28 2pkq n ARG 260 CO 0.00 0.00 0.00 -0.22 -1.52 0.00 0.00 177.63 175.89 2pkq h LYS 261 N 0.00 -0.35 0.00 5.56 3.64 0.67 -2.92 116.57 123.17 2pkq h LYS 261 Ca 0.80 0.02 0.00 0.00 -1.27 0.00 0.00 60.65 60.20 2pkq h LYS 261 Cb 2.12 0.08 0.00 0.00 -0.41 0.00 0.00 32.23 34.02 2pkq h LYS 261 CO -0.72 -0.05 0.00 0.00 -2.27 0.00 0.00 179.45 176.41 2pkq n ALA 262 N -2.64 1.55 -0.04 5.00 0.00 0.16 -2.43 120.51 122.12 2pkq n ALA 262 Ca -0.07 0.01 -0.16 0.00 0.00 0.00 0.00 53.44 53.22 2pkq n ALA 262 Cb 0.24 -1.25 -0.13 0.00 0.00 0.00 0.00 19.45 18.30 2pkq n ALA 262 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2pkq h ALA 263 N 2.35 -0.02 -0.21 0.00 0.00 0.39 -0.40 119.26 121.37 2pkq h ALA 263 Ca 0.00 -0.55 0.00 0.00 0.00 0.00 0.00 54.91 54.36 2pkq h ALA 263 Cb 0.24 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.05 2pkq h ALA 263 CO 0.00 0.10 0.00 0.00 0.00 0.00 0.00 179.25 179.35 2pkq n ALA 264 N -2.62 2.50 -2.00 0.00 0.00 -1.11 -1.98 120.51 115.31 2pkq n ALA 264 Ca -0.11 -0.54 0.00 0.00 0.00 0.00 0.00 53.44 52.79 2pkq n ALA 264 Cb 0.57 -1.06 0.00 0.00 0.00 0.00 0.00 19.45 18.96 2pkq n ALA 264 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2pkq n GLY 265 N 1.10 0.36 0.16 0.00 0.00 -1.02 -4.75 105.19 101.04 2pkq n GLY 265 Ca 0.15 0.00 0.03 0.00 0.00 0.00 0.00 46.02 46.20 2pkq n GLY 265 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 2pkq h PRO 266 N 0.00 0.00 -0.62 1.61 0.11 -1.81 -3.26 132.00 128.02 2pkq h PRO 266 Ca 0.00 0.00 -0.28 0.00 0.11 0.00 0.00 66.00 65.83 2pkq h PRO 266 Cb 0.00 0.00 -0.17 0.00 0.11 0.00 0.00 31.00 30.94 2pkq h PRO 266 CO 0.00 0.50 0.23 1.28 -0.21 0.00 0.00 178.00 179.80 2pkq n LEU 267 N -3.45 5.31 -4.56 2.35 4.77 -0.16 -4.93 117.00 116.33 2pkq n LEU 267 Ca 0.00 -3.55 -0.29 0.00 -0.03 0.00 0.00 56.01 52.14 2pkq n LEU 267 Cb 0.62 -0.71 -0.04 0.00 -2.33 0.00 0.00 43.42 40.96 2pkq n LEU 267 CO 0.39 1.05 1.47 -0.75 -1.33 0.00 0.00 177.39 178.22 2pkq s LYS 268 N -3.18 2.41 0.00 3.23 2.20 -0.84 -0.31 119.74 123.26 2pkq s LYS 268 Ca 0.50 0.23 0.00 0.00 -0.36 0.00 0.00 55.97 56.35 2pkq s LYS 268 Cb 0.43 -4.78 0.00 0.00 -1.51 0.00 0.00 37.83 31.97 2pkq s LYS 268 CO 0.07 -3.32 0.00 0.41 -0.36 0.00 0.00 175.35 172.15 2pkq n GLY 269 N 6.42 1.38 0.63 5.54 0.00 -1.26 -4.97 105.19 112.94 2pkq n GLY 269 Ca 0.35 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 46.31 2pkq n GLY 269 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 2pkq n VAL 270 N 0.00 1.18 -3.11 1.61 0.31 0.58 -4.29 118.33 114.61 2pkq n VAL 270 Ca 0.00 0.18 -0.19 0.00 -0.01 0.00 0.00 64.34 64.32 2pkq n VAL 270 Cb 0.00 -1.85 0.01 0.00 -0.91 0.00 0.00 33.84 31.08 2pkq n VAL 270 CO 0.00 0.00 0.00 -0.22 -1.32 0.00 0.00 176.83 175.29 2pkq s LEU 271 N -7.21 3.71 -0.27 7.52 2.96 -0.23 -1.10 118.68 124.07 2pkq s LEU 271 Ca -0.14 -0.20 -0.32 0.00 -0.22 0.00 0.00 54.13 53.26 2pkq s LEU 271 Cb 0.03 -2.78 0.18 0.00 0.50 0.00 0.00 46.19 44.12 2pkq s LEU 271 CO 0.19 -0.69 1.32 -0.62 -1.32 0.00 0.00 176.35 175.23 2pkq s ASP 272 N -4.28 -0.07 -0.10 3.68 2.15 -1.08 -4.71 116.67 112.25 2pkq s ASP 272 Ca 0.51 0.05 0.01 0.00 0.43 0.00 0.00 52.55 53.56 2pkq s ASP 272 Cb -0.10 0.06 0.02 0.00 -0.30 0.00 0.00 42.92 42.60 2pkq s ASP 272 CO 0.34 -0.07 -0.12 -0.69 -0.17 0.00 0.00 175.17 174.45 2pkq s VAL 273 N -1.35 1.30 -0.32 1.11 1.01 -1.26 -1.64 120.40 119.25 2pkq s VAL 273 Ca 0.09 -0.51 -0.08 0.00 0.00 0.00 0.00 61.98 61.47 2pkq s VAL 273 Cb -0.01 -1.22 0.02 0.00 0.00 0.00 0.00 36.38 35.17 2pkq s VAL 273 CO -0.06 0.40 0.12 0.00 0.00 0.00 0.00 175.10 175.57 2pkq h ASP 275 N 8.30 0.00 -2.96 0.00 3.32 -1.97 -3.01 116.42 120.09 2pkq h ASP 275 Ca -0.29 0.00 -0.57 0.00 0.02 0.00 0.00 57.03 56.19 2pkq h ASP 275 Cb 1.12 0.00 -0.05 0.00 0.22 0.00 0.00 39.33 40.62 2pkq h ASP 275 CO 0.62 0.49 0.87 -0.63 -1.72 0.00 0.00 179.24 178.87 2pkq s ILE 276 N -2.97 4.39 -0.39 0.35 1.01 -1.26 -4.61 121.20 117.73 2pkq s ILE 276 Ca 0.03 1.68 -0.27 0.00 0.00 0.00 0.00 60.65 62.09 2pkq s ILE 276 Cb 0.08 -4.08 -0.05 0.00 0.01 0.00 0.00 42.46 38.41 2pkq s ILE 276 CO 0.76 -0.15 2.21 -2.16 0.00 0.00 0.00 174.94 175.60 2pkq s PRO 277 N 3.40 2.67 0.00 2.79 0.04 -1.26 -4.94 135.00 137.69 2pkq s PRO 277 Ca 0.52 1.55 0.00 0.00 0.04 0.00 0.00 61.00 63.10 2pkq s PRO 277 Cb -0.20 -4.44 0.00 0.00 0.04 0.00 0.00 34.50 29.90 2pkq s PRO 277 CO 0.12 -2.64 0.00 1.28 0.04 0.00 0.00 177.00 175.81 2pkq n LEU 278 N 13.41 0.00 -4.08 -3.56 4.77 -1.26 -5.18 117.00 121.10 2pkq n LEU 278 Ca 0.31 0.00 -0.08 0.00 -0.03 0.00 0.00 56.01 56.21 2pkq n LEU 278 Cb 0.50 0.00 -0.10 0.00 -2.33 0.00 0.00 43.42 41.49 2pkq n LEU 278 CO 0.69 0.00 -0.30 0.68 -1.33 0.00 0.00 177.39 177.13 2pkq s VAL 279 N -0.30 0.16 0.02 4.08 -7.23 -1.26 -5.05 120.40 110.83 2pkq s VAL 279 Ca 0.00 -1.77 -0.04 0.00 -1.81 0.00 0.00 61.98 58.36 2pkq s VAL 279 Cb 0.00 -1.71 -0.01 0.00 0.56 0.00 0.00 36.38 35.22 2pkq s VAL 279 CO 0.00 -0.74 0.42 -1.54 -0.31 0.00 0.00 175.10 172.93 2pkq n SER 280 N 0.00 -0.13 0.31 4.85 3.41 -1.26 0.35 113.62 121.15 2pkq n SER 280 Ca -0.11 0.45 0.03 0.00 -0.26 0.00 0.00 58.87 58.98 2pkq n SER 280 Cb 0.62 -0.14 0.18 0.00 -0.26 0.00 0.00 64.21 64.61 2pkq n SER 280 CO 0.00 0.00 0.00 0.58 -0.16 0.00 0.00 175.04 175.46 2pkq h VAL 281 N 0.00 0.00 -0.00 -3.33 2.07 -1.94 0.46 116.25 113.51 2pkq h VAL 281 Ca 0.02 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.54 2pkq h VAL 281 Cb 0.05 0.15 0.00 0.00 -1.52 0.00 0.00 31.29 29.97 2pkq h VAL 281 CO -0.12 0.00 -0.06 0.47 0.02 0.00 0.00 177.57 177.89 2pkq n ASP 282 N -2.47 0.44 -0.69 0.57 8.00 0.16 -3.47 116.55 119.08 2pkq n ASP 282 Ca -0.00 -0.76 0.07 0.00 0.71 0.00 0.00 54.79 54.81 2pkq n ASP 282 Cb 0.82 -0.07 0.12 0.00 -0.02 0.00 0.00 41.12 41.97 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 -0.85 0.24 -1.58 1.24 3.72 0.16 -4.99 117.46 115.40 2pkq n PHE 283 Ca 0.17 -0.19 -0.38 0.00 -0.05 0.00 0.00 57.45 57.00 2pkq n PHE 283 Cb 0.24 -0.01 0.05 0.00 -0.94 0.00 0.00 39.48 38.82 2pkq n PHE 283 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 176.76 177.25 2pkq n ARG 284 N 0.84 0.77 -4.05 -1.08 5.12 -1.23 -2.20 116.66 114.84 2pkq n ARG 284 Ca 0.11 0.30 -0.27 0.00 -1.93 0.00 0.00 57.85 56.07 2pkq n ARG 284 Cb 0.41 -2.05 -0.04 0.00 -1.16 0.00 0.00 32.46 29.62 2pkq n ARG 284 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 2pkq s SER 286 N -4.38 6.06 0.06 0.00 0.15 -0.93 -4.97 113.70 109.70 2pkq s SER 286 Ca 0.00 -0.43 0.13 0.00 0.70 0.00 0.00 55.95 56.35 2pkq s SER 286 Cb -0.00 -2.14 0.56 0.00 -1.71 0.00 0.00 66.02 62.73 2pkq s SER 286 CO 0.92 -0.24 1.40 0.47 1.20 0.00 0.00 173.24 176.99 2pkq n ASP 287 N 5.11 0.15 -4.73 5.45 9.92 -1.26 -3.97 116.55 127.22 2pkq n ASP 287 Ca -0.13 0.55 -0.40 0.00 -0.53 0.00 0.00 54.79 54.28 2pkq n ASP 287 Cb 0.50 -0.57 -0.04 0.00 -0.64 0.00 0.00 41.12 40.36 2pkq n ASP 287 CO 0.00 0.00 0.00 -0.36 0.13 0.00 0.00 177.20 176.97 2pkq s PHE 288 N -3.09 3.65 -0.41 1.24 0.40 -1.26 -4.80 117.98 113.71 2pkq s PHE 288 Ca 0.04 1.42 0.22 0.00 -0.60 0.00 0.00 56.93 58.01 2pkq s PHE 288 Cb 0.07 -2.87 1.01 0.00 0.51 0.00 0.00 43.02 41.74 2pkq s PHE 288 CO 0.21 0.14 1.66 0.43 0.70 0.00 0.00 175.22 178.36 2pkq n SER 289 N 3.45 0.59 -3.64 1.36 7.64 -0.26 -4.68 113.62 118.08 2pkq n SER 289 Ca -0.00 0.69 -0.08 0.00 1.01 0.00 0.00 58.87 60.49 2pkq n SER 289 Cb 0.51 -0.80 -0.07 0.00 -1.01 0.00 0.00 64.21 62.84 2pkq n SER 289 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 2pkq s SER 290 N -4.09 -0.46 -0.07 6.43 0.15 -0.89 -3.96 113.70 110.81 2pkq s SER 290 Ca 0.02 0.86 -0.00 0.00 0.70 0.00 0.00 55.95 57.53 2pkq s SER 290 Cb 0.08 0.93 0.02 0.00 -1.71 0.00 0.00 66.02 65.34 2pkq s SER 290 CO 0.30 -0.15 -0.04 -0.89 1.20 0.00 0.00 173.24 173.67 2pkq s THR 291 N 0.42 0.58 -0.06 6.45 2.01 0.06 -2.65 115.64 122.46 2pkq s THR 291 Ca 0.01 -0.07 -0.14 0.00 0.31 0.00 0.00 61.69 61.80 2pkq s THR 291 Cb -0.05 -0.65 -0.05 0.00 0.01 0.00 0.00 72.50 71.76 2pkq s THR 291 CO -0.08 0.27 0.36 -0.63 -0.69 0.00 0.00 174.62 173.85 2pkq s ILE 292 N 1.43 5.15 -0.81 1.82 1.09 -0.65 0.28 121.20 129.52 2pkq s ILE 292 Ca -0.03 0.73 -0.23 0.00 -1.10 0.00 0.00 60.65 60.02 2pkq s ILE 292 Cb -0.13 -3.67 0.07 0.00 -1.06 0.00 0.00 42.46 37.66 2pkq s ILE 292 CO -0.03 0.52 1.16 -0.62 -0.10 0.00 0.00 174.94 175.87 2pkq s ASP 293 N -0.57 6.34 0.01 3.58 -1.08 -0.61 -2.23 116.67 122.11 2pkq s ASP 293 Ca 0.22 -1.20 -0.03 0.00 -0.52 0.00 0.00 52.55 51.02 2pkq s ASP 293 Cb -0.15 -2.47 -0.01 0.00 -1.46 0.00 0.00 42.92 38.83 2pkq s ASP 293 CO 0.10 -1.45 0.96 -1.20 0.52 0.00 0.00 175.17 174.10 2pkq n SER 294 N 8.02 -0.09 0.01 -0.34 7.64 -1.14 0.02 113.62 127.75 2pkq n SER 294 Ca 0.11 0.98 0.01 0.00 1.01 0.00 0.00 58.87 60.98 2pkq n SER 294 Cb 0.48 -0.43 0.03 0.00 -1.01 0.00 0.00 64.21 63.27 2pkq n SER 294 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 2pkq n SER 295 N -3.12 0.03 -0.04 6.43 3.41 -1.26 -1.37 113.62 117.69 2pkq n SER 295 Ca 0.00 0.32 -0.04 0.00 -0.26 0.00 0.00 58.87 58.89 2pkq n SER 295 Cb 0.02 -0.31 -0.14 0.00 -0.26 0.00 0.00 64.21 63.52 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 -1.36 0.35 -4.68 1.04 4.77 0.10 -4.95 117.00 112.28 2pkq n LEU 296 Ca -0.00 0.16 -0.38 0.00 -0.03 0.00 0.00 56.01 55.76 2pkq n LEU 296 Cb 0.21 0.26 0.05 0.00 -2.33 0.00 0.00 43.42 41.62 2pkq n LEU 296 CO 0.00 0.31 0.77 0.41 -1.33 0.00 0.00 177.39 177.56 2pkq n THR 297 N -2.75 3.97 -3.40 -5.08 -1.04 -0.47 -4.85 114.28 100.65 2pkq n THR 297 Ca -0.20 -0.50 0.01 0.00 -2.04 0.00 0.00 64.05 61.32 2pkq n THR 297 Cb 0.97 -1.39 -0.04 0.00 -1.82 0.00 0.00 70.33 68.04 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 -2.89 0.26 0.08 -2.82 0.23 -0.75 -4.93 119.30 108.46 2pkq s MET 298 Ca 0.75 0.61 -0.23 0.00 -1.03 0.00 0.00 55.69 55.80 2pkq s MET 298 Cb -0.42 0.33 -0.06 0.00 -1.53 0.00 0.00 34.83 33.15 2pkq s MET 298 CO 0.47 -0.08 0.68 0.08 -2.03 0.00 0.00 175.02 174.13 2pkq s VAL 299 N 2.23 4.67 0.00 5.16 1.01 -1.26 -2.57 120.40 129.64 2pkq s VAL 299 Ca -0.03 1.45 0.00 0.00 0.00 0.00 0.00 61.98 63.40 2pkq s VAL 299 Cb -0.05 -4.02 0.00 0.00 0.00 0.00 0.00 36.38 32.31 2pkq s VAL 299 CO -0.17 0.47 0.00 0.80 0.00 0.00 0.00 175.10 176.21 2pkq n MET 300 N 2.15 0.00 -1.52 2.72 1.56 0.11 -4.78 117.12 117.36 2pkq n MET 300 Ca -0.06 0.00 -0.31 0.00 -0.27 0.00 0.00 57.70 57.05 2pkq n MET 300 Cb 0.50 -0.04 0.01 0.00 2.15 0.00 0.00 33.22 35.84 2pkq n MET 300 CO 0.00 0.00 0.00 0.41 -0.73 0.00 0.00 175.97 175.65 2pkq n GLY 301 N 2.57 4.99 4.73 -5.12 0.00 -1.26 -4.87 105.19 106.23 2pkq n GLY 301 Ca 0.00 -2.05 0.00 0.00 0.00 0.00 0.00 46.02 43.97 2pkq n GLY 301 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2pkq n GLY 302 N -0.01 0.69 0.12 -0.02 0.00 -1.26 -4.26 105.19 100.44 2pkq n GLY 302 Ca 0.50 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 46.37 2pkq n GLY 302 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2pkq n ASP 303 N 1.38 1.44 -4.60 1.61 5.75 -1.26 -3.65 116.55 117.22 2pkq n ASP 303 Ca 0.00 0.17 -0.43 0.00 -0.01 0.00 0.00 54.79 54.52 2pkq n ASP 303 Cb 0.00 -0.29 -0.03 0.00 -1.03 0.00 0.00 41.12 39.77 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 -2.55 3.76 0.01 0.11 1.75 -1.26 0.26 119.30 121.37 2pkq s MET 304 Ca -0.18 0.53 -0.01 0.00 -1.25 0.00 0.00 55.69 54.79 2pkq s MET 304 Cb 0.07 -3.85 -0.04 0.00 2.84 0.00 0.00 34.83 33.85 2pkq s MET 304 CO 0.76 -1.13 0.11 0.08 -0.65 0.00 0.00 175.02 174.19 2pkq s VAL 305 N 3.84 4.89 -0.06 10.11 1.01 -0.94 0.05 120.40 139.30 2pkq s VAL 305 Ca 0.41 -0.39 0.00 0.00 0.00 0.00 0.00 61.98 62.01 2pkq s VAL 305 Cb -0.10 -3.26 0.02 0.00 0.00 0.00 0.00 36.38 33.04 2pkq s VAL 305 CO 0.24 0.31 -0.04 -0.75 0.00 0.00 0.00 175.10 174.86 2pkq s LYS 306 N -1.87 0.90 0.18 2.72 2.20 -1.06 -2.30 119.74 120.50 2pkq s LYS 306 Ca 0.25 -0.09 0.08 0.00 -0.36 0.00 0.00 55.97 55.85 2pkq s LYS 306 Cb -0.12 -0.98 -0.04 0.00 -1.51 0.00 0.00 37.83 35.18 2pkq s LYS 306 CO 0.16 -0.14 -0.16 0.08 -0.36 0.00 0.00 175.35 174.93 2pkq s VAL 307 N 1.22 1.72 -0.04 4.02 1.01 -0.28 -1.81 120.40 126.24 2pkq s VAL 307 Ca -0.06 -2.04 -0.00 0.00 0.00 0.00 0.00 61.98 59.88 2pkq s VAL 307 Cb -0.14 -1.90 0.03 0.00 0.00 0.00 0.00 36.38 34.37 2pkq s VAL 307 CO -0.02 -0.47 0.01 -0.69 0.00 0.00 0.00 175.10 173.93 2pkq s VAL 308 N -2.52 0.21 0.12 2.92 1.01 -1.26 -1.63 120.40 119.25 2pkq s VAL 308 Ca 0.18 0.12 0.09 0.00 0.00 0.00 0.00 61.98 62.38 2pkq s VAL 308 Cb -0.03 -0.33 -0.04 0.00 0.00 0.00 0.00 36.38 35.98 2pkq s VAL 308 CO 0.06 0.18 -0.22 0.00 0.00 0.00 0.00 175.10 175.12 2pkq s ALA 309 N 1.38 1.96 -0.13 5.51 0.00 -0.81 -1.57 121.76 128.09 2pkq s ALA 309 Ca -0.05 -1.32 -0.02 0.00 0.00 0.00 0.00 51.96 50.57 2pkq s ALA 309 Cb -0.13 -0.27 -0.03 0.00 0.00 0.00 0.00 23.12 22.69 2pkq s ALA 309 CO -0.02 0.39 -0.05 -1.58 0.00 0.00 0.00 175.76 174.49 2pkq s TRP 310 N -1.23 2.99 -0.16 0.00 0.52 0.82 -1.58 118.94 120.31 2pkq s TRP 310 Ca 0.09 -0.25 -0.11 0.00 0.02 0.00 0.00 56.10 55.85 2pkq s TRP 310 Cb -0.10 -1.89 0.05 0.00 -1.15 0.00 0.00 33.47 30.38 2pkq s TRP 310 CO 0.05 0.04 0.39 1.52 0.02 0.00 0.00 176.95 178.97 2pkq s TYR 311 N 0.07 -0.51 -0.43 -1.98 1.13 -0.74 -0.76 117.35 114.13 2pkq s TYR 311 Ca -0.01 1.16 -0.27 0.00 -1.41 0.00 0.00 57.07 56.53 2pkq s TYR 311 Cb -0.14 0.20 0.02 0.00 -1.10 0.00 0.00 41.96 40.95 2pkq s TYR 311 CO 0.03 -0.28 1.04 0.34 -2.51 0.00 0.00 175.55 174.16 2pkq s ASP 312 N 0.93 6.65 0.40 -0.18 -1.08 -1.26 -0.97 116.67 121.16 2pkq s ASP 312 Ca -0.06 0.48 0.12 0.00 -0.52 0.00 0.00 52.55 52.57 2pkq s ASP 312 Cb -0.06 -2.51 0.84 0.00 -1.46 0.00 0.00 42.92 39.73 2pkq s ASP 312 CO -0.07 -1.08 1.93 -0.55 0.52 0.00 0.00 175.17 175.92 2pkq h ASN 313 N 8.89 0.12 0.00 -0.34 -1.07 -1.92 -1.84 115.58 119.42 2pkq h ASN 313 Ca -0.23 -0.03 0.00 0.00 0.07 0.00 0.00 56.30 56.12 2pkq h ASN 313 Cb 1.07 -0.03 0.00 0.00 -2.07 0.00 0.00 38.32 37.29 2pkq h ASN 313 CO 1.06 0.32 0.00 -0.62 0.07 0.00 0.00 177.43 178.26 2pkq n GLU 314 N -4.26 0.00 0.21 4.14 1.02 -1.26 -4.05 120.64 116.44 2pkq n GLU 314 Ca -0.01 0.44 -0.13 0.00 -0.02 0.00 0.00 57.16 57.44 2pkq n GLU 314 Cb 0.28 -0.94 -0.07 0.00 -0.02 0.00 0.00 31.44 30.69 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 0.00 -0.96 -0.58 -0.32 2.91 -1.94 -2.12 115.95 112.94 2pkq h TRP 315 Ca 0.00 0.01 0.05 0.00 1.13 0.00 0.00 58.89 60.08 2pkq h TRP 315 Cb 0.00 0.37 -0.07 0.00 -0.51 0.00 0.00 29.16 28.95 2pkq h TRP 315 CO 0.00 -0.47 -0.36 0.78 -1.03 0.00 0.00 178.44 177.36 2pkq h GLY 316 N -0.71 -1.54 0.07 2.65 0.00 -1.46 0.27 103.07 102.35 2pkq h GLY 316 Ca -0.05 0.92 0.07 0.00 0.00 0.00 0.00 47.33 48.27 2pkq h GLY 316 CO -0.03 -0.36 -0.25 -1.82 0.00 0.00 0.00 176.54 174.08 2pkq h TYR 317 N -0.03 -0.65 -0.81 5.60 3.20 -1.64 0.13 116.97 122.78 2pkq h TYR 317 Ca 0.09 0.04 0.15 0.00 3.14 0.00 0.00 58.73 62.15 2pkq h TYR 317 Cb 0.27 0.33 -0.06 0.00 1.54 0.00 0.00 36.73 38.81 2pkq h TYR 317 CO -0.96 -0.32 0.53 0.77 -1.64 0.00 0.00 178.16 176.54 2pkq h SER 318 N -0.22 0.49 -0.29 -2.11 0.02 -0.52 0.27 113.55 111.18 2pkq h SER 318 Ca 0.16 0.03 -0.14 0.00 -0.84 0.00 0.00 61.79 61.00 2pkq h SER 318 Cb 0.47 -0.07 -0.01 0.00 0.14 0.00 0.00 62.40 62.93 2pkq h SER 318 CO -0.43 0.25 -0.33 1.56 -1.14 0.00 0.00 176.83 176.74 2pkq h GLN 319 N 0.52 0.82 -0.24 3.45 1.08 0.21 -2.28 115.11 118.66 2pkq h GLN 319 Ca 0.40 -0.39 -0.06 0.00 -1.45 0.00 0.00 58.65 57.15 2pkq h GLN 319 Cb 0.81 -0.01 -0.01 0.00 -0.05 0.00 0.00 27.48 28.23 2pkq h GLN 319 CO -0.15 1.02 -0.08 0.00 -0.95 0.00 0.00 178.83 178.67 2pkq h ARG 320 N 0.69 0.49 -0.23 1.46 2.47 0.36 -2.23 114.38 117.39 2pkq h ARG 320 Ca 0.07 -0.20 0.07 0.00 -1.26 0.00 0.00 59.98 58.66 2pkq h ARG 320 Cb 0.88 -0.02 -0.01 0.00 -1.65 0.00 0.00 29.97 29.17 2pkq h ARG 320 CO 0.08 0.73 0.34 0.28 0.56 0.00 0.00 179.97 181.96 2pkq h VAL 321 N 0.22 0.27 0.00 2.04 2.07 -0.44 1.04 116.25 121.45 2pkq h VAL 321 Ca 0.06 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.56 2pkq h VAL 321 Cb 0.57 0.71 -0.00 0.00 -1.52 0.00 0.00 31.29 31.04 2pkq h VAL 321 CO 0.03 0.00 -0.86 0.58 0.02 0.00 0.00 177.57 177.34 2pkq h VAL 322 N 0.00 0.05 0.17 2.57 2.07 -0.84 -2.88 116.25 117.40 2pkq h VAL 322 Ca 0.11 -1.10 -0.24 0.00 0.82 0.00 0.00 66.70 66.29 2pkq h VAL 322 Cb 0.79 1.64 0.02 0.00 -1.52 0.00 0.00 31.29 32.22 2pkq h VAL 322 CO -0.00 0.03 -1.10 0.44 0.02 0.00 0.00 177.57 176.96 2pkq h ASP 323 N 0.00 0.58 0.60 0.57 5.19 0.13 -1.20 116.42 122.29 2pkq h ASP 323 Ca -0.01 -0.93 -0.02 0.00 -0.62 0.00 0.00 57.03 55.45 2pkq h ASP 323 Cb 1.05 -0.19 -0.00 0.00 0.18 0.00 0.00 39.33 40.37 2pkq h ASP 323 CO 0.00 1.52 -0.08 0.25 -3.12 0.00 0.00 179.24 177.82 2pkq h LEU 324 N -0.20 0.00 0.00 1.55 5.85 0.06 0.35 115.31 122.92 2pkq h LEU 324 Ca -0.20 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.52 2pkq h LEU 324 Cb 1.83 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.86 2pkq h LEU 324 CO 0.18 0.08 -1.19 0.00 -0.34 0.00 0.00 178.44 177.17 2pkq n ALA 325 N -2.18 2.64 0.09 1.25 0.00 -1.09 -3.24 120.51 117.99 2pkq n ALA 325 Ca -0.01 -0.30 -0.07 0.00 0.00 0.00 0.00 53.44 53.06 2pkq n ALA 325 Cb 0.26 -1.03 -0.01 0.00 0.00 0.00 0.00 19.45 18.68 2pkq n ALA 325 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 2pkq h ASP 326 N 0.00 0.16 0.34 0.00 5.19 0.39 -3.24 116.42 119.26 2pkq h ASP 326 Ca 0.00 -0.13 -0.02 0.00 -0.62 0.00 0.00 57.03 56.26 2pkq h ASP 326 Cb 0.98 -0.05 0.00 0.00 0.18 0.00 0.00 39.33 40.44 2pkq h ASP 326 CO 0.00 0.95 -0.16 0.25 -3.12 0.00 0.00 179.24 177.16 2pkq h LEU 327 N 0.06 -0.38 -0.61 1.55 5.85 -0.46 -2.58 115.31 118.75 2pkq h LEU 327 Ca -0.03 0.01 0.18 0.00 0.84 0.00 0.00 57.88 58.88 2pkq h LEU 327 Cb 1.51 0.10 -0.11 0.00 0.37 0.00 0.00 40.66 42.53 2pkq h LEU 327 CO 0.13 -0.22 0.05 0.52 -0.34 0.00 0.00 178.44 178.58 2pkq n VAL 328 N -3.54 -0.25 0.07 1.05 0.31 -1.20 0.21 118.33 114.97 2pkq n VAL 328 Ca -0.06 1.32 -0.07 0.00 -0.01 0.00 0.00 64.34 65.53 2pkq n VAL 328 Cb 0.18 -1.96 0.09 0.00 -0.91 0.00 0.00 33.84 31.24 2pkq n VAL 328 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2pkq h ALA 329 N 1.21 0.76 0.00 3.52 0.00 -1.57 -3.02 119.26 120.17 2pkq h ALA 329 Ca 0.39 -0.56 0.00 0.00 0.00 0.00 0.00 54.91 54.74 2pkq h ALA 329 Cb 0.83 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.54 2pkq h ALA 329 CO -0.56 0.74 0.00 0.09 0.00 0.00 0.00 179.25 179.52 2pkq n ASN 330 N -3.87 0.70 -2.07 0.00 5.03 0.55 -3.08 115.26 112.52 2pkq n ASN 330 Ca -0.03 0.59 -0.25 0.00 0.87 0.00 0.00 54.58 55.76 2pkq n ASN 330 Cb 0.64 -0.77 0.03 0.00 -1.02 0.00 0.00 39.78 38.66 2pkq n ASN 330 CO 0.00 0.00 0.00 0.29 -1.83 0.00 0.00 177.26 175.72 2pkq n LYS 331 N -2.19 3.50 -4.95 3.52 4.76 -0.61 -5.02 118.16 117.17 2pkq n LYS 331 Ca 0.05 -4.07 -0.32 0.00 -2.87 0.00 0.00 58.31 51.09 2pkq n LYS 331 Cb 0.36 -2.28 -0.14 0.00 -1.84 0.00 0.00 35.03 31.13 2pkq n LYS 331 CO 0.00 0.00 0.00 -0.46 -1.37 0.00 0.00 177.40 175.57 2pkq s TRP 332 N -3.63 2.67 0.51 2.13 -0.11 -1.16 -4.05 118.94 115.29 2pkq s TRP 332 Ca 0.53 -0.45 0.41 0.00 1.22 0.00 0.00 56.10 57.81 2pkq s TRP 332 Cb 0.42 -1.69 1.60 0.00 -1.50 0.00 0.00 33.47 32.31 2pkq s TRP 332 CO 0.03 -0.04 1.61 -1.35 -4.62 0.00 0.00 176.95 172.58 2pkq h PRO 333 N 5.94 0.02 0.00 5.86 0.11 -1.92 -3.50 132.00 138.51 2pkq h PRO 333 Ca -0.36 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.74 2pkq h PRO 333 Cb 1.18 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.28 2pkq h PRO 333 CO 0.51 0.02 0.00 1.97 -0.21 0.00 0.00 178.00 180.29 2pkq n PHE 348 N -4.28 0.00 -1.44 0.65 1.16 -1.26 -5.17 117.46 107.11 2pkq n PHE 348 Ca 0.40 0.00 0.18 0.00 -1.87 0.00 0.00 57.45 56.16 2pkq n PHE 348 Cb 1.73 -0.09 -0.08 0.00 -1.61 0.00 0.00 39.48 39.42 2pkq n PHE 348 CO 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 176.76 174.89 2pkq n LYS 359 N 1.88 0.00 -1.89 0.00 -0.00 -1.26 -5.11 118.16 111.78 2pkq n LYS 359 Ca -0.17 0.00 -0.00 0.00 -0.00 0.00 0.00 58.31 58.14 2pkq n LYS 359 Cb 0.56 0.00 0.00 0.00 -0.00 0.00 0.00 35.03 35.59 2pkq n LYS 359 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.40 178.68 2pkq n LEU 360 N -0.75 -3.89 -2.06 -5.58 4.77 -1.26 -4.58 117.00 103.64 2pkq n LEU 360 Ca 0.00 0.41 -0.17 0.00 -0.03 0.00 0.00 56.01 56.22 2pkq n LEU 360 Cb 0.00 -1.74 0.00 0.00 -2.33 0.00 0.00 43.42 39.35 2pkq n LEU 360 CO 0.00 -0.97 -0.14 0.00 -1.33 0.00 0.00 177.39 174.95 2pkq n TYR 361 N 0.11 -1.04 -0.59 -1.77 0.18 -1.26 -5.00 117.16 107.79 2pkq n TYR 361 Ca 0.01 0.14 0.00 0.00 1.88 0.00 0.00 57.90 59.92 2pkq n TYR 361 Cb 0.02 -3.49 0.00 0.00 -0.38 0.00 0.00 39.34 35.49 2pkq n TYR 361 CO 0.00 0.00 0.00 0.39 -2.08 0.00 0.00 176.86 175.17