#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1nkq n TYR 3 N 0.00 0.00 0.14 0.66 4.02 -1.26 -1.36 117.16 119.36 1nkq n TYR 3 Ca 0.00 -0.35 0.16 0.00 -0.01 0.00 0.00 57.90 57.69 1nkq n TYR 3 Cb 0.00 -0.04 0.72 0.00 -0.02 0.00 0.00 39.34 40.00 1nkq n TYR 3 CO 0.00 0.00 0.00 -0.91 -1.01 0.00 0.00 176.86 174.94 1nkq h ASN 4 N 0.00 0.00 -0.56 7.72 2.35 -1.81 -2.04 115.58 121.24 1nkq h ASN 4 Ca 0.00 0.00 0.06 0.00 -0.55 0.00 0.00 56.30 55.81 1nkq h ASN 4 Cb 0.35 0.00 -0.03 0.00 0.05 0.00 0.00 38.32 38.69 1nkq h ASN 4 CO 0.00 0.00 0.37 0.10 -1.65 0.00 0.00 177.43 176.25 1nkq h TYR 5 N 0.00 0.52 -0.84 1.19 -0.00 -1.88 -2.19 116.97 113.78 1nkq h TYR 5 Ca 0.13 0.01 0.17 0.00 0.00 0.00 0.00 58.73 59.04 1nkq h TYR 5 Cb 0.54 -0.17 -0.06 0.00 0.00 0.00 0.00 36.73 37.04 1nkq h TYR 5 CO 0.00 0.28 0.55 -0.07 -0.00 0.00 0.00 178.16 178.92 1nkq h LEU 6 N 0.52 0.45 -1.38 0.10 4.07 -1.65 -0.21 115.31 117.21 1nkq h LEU 6 Ca 0.24 0.03 0.00 0.00 0.08 0.00 0.00 57.88 58.24 1nkq h LEU 6 Cb 0.30 -0.05 0.00 0.00 1.08 0.00 0.00 40.66 41.98 1nkq h LEU 6 CO -0.07 0.22 0.00 0.50 -1.08 0.00 0.00 178.44 178.01 1nkq h LYS 7 N 0.47 0.00 -0.02 1.13 1.63 -1.58 -3.05 116.57 115.16 1nkq h LYS 7 Ca 0.42 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 60.22 1nkq h LYS 7 Cb 0.93 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.56 1nkq h LYS 7 CO -0.16 0.00 -0.30 0.00 -3.45 0.00 0.00 179.45 175.54 1nkq n ALA 8 N -2.07 3.17 -2.48 5.00 0.00 -0.10 -4.91 120.51 119.12 1nkq n ALA 8 Ca 0.01 -0.59 -0.43 0.00 0.00 0.00 0.00 53.44 52.43 1nkq n ALA 8 Cb 0.30 -0.89 -0.02 0.00 0.00 0.00 0.00 19.45 18.84 1nkq n ALA 8 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1nkq s ALA 9 N -2.35 3.09 0.13 0.00 0.00 -1.15 -4.52 121.76 116.95 1nkq s ALA 9 Ca 0.23 -0.36 0.08 0.00 0.00 0.00 0.00 51.96 51.91 1nkq s ALA 9 Cb 0.19 -3.93 -0.08 0.00 0.00 0.00 0.00 23.12 19.30 1nkq s ALA 9 CO 0.49 -2.36 1.36 0.00 0.00 0.00 0.00 175.76 175.24 1nkq h ARG 10 N 9.95 0.00 -3.40 0.00 3.08 -1.87 -3.48 114.38 118.66 1nkq h ARG 10 Ca -0.25 0.00 -0.04 0.00 0.07 0.00 0.00 59.98 59.76 1nkq h ARG 10 Cb 1.08 0.00 -0.11 0.00 0.08 0.00 0.00 29.97 31.02 1nkq h ARG 10 CO 1.12 0.89 -0.05 -1.59 -1.07 0.00 0.00 179.97 179.27 1nkq s LYS 11 N -2.90 1.24 -0.16 0.04 -2.85 -1.26 -4.95 119.74 108.91 1nkq s LYS 11 Ca 0.01 -0.84 -0.00 0.00 -1.00 0.00 0.00 55.97 54.14 1nkq s LYS 11 Cb 0.10 0.49 0.03 0.00 -2.06 0.00 0.00 37.83 36.39 1nkq s LYS 11 CO 0.80 -0.51 -0.09 0.42 0.10 0.00 0.00 175.35 176.08 1nkq s ILE 12 N -3.86 1.30 0.04 3.79 1.01 -1.25 -2.12 121.20 120.11 1nkq s ILE 12 Ca 0.08 -0.63 0.07 0.00 0.00 0.00 0.00 60.65 60.17 1nkq s ILE 12 Cb 0.01 -1.36 -0.03 0.00 0.01 0.00 0.00 42.46 41.08 1nkq s ILE 12 CO -0.06 0.27 -0.17 0.27 0.00 0.00 0.00 174.94 175.25 1nkq s ILE 13 N 1.57 2.89 0.05 2.92 -4.36 -0.73 -2.06 121.20 121.48 1nkq s ILE 13 Ca 0.02 -1.16 0.04 0.00 -0.26 0.00 0.00 60.65 59.29 1nkq s ILE 13 Cb -0.14 -2.23 -0.03 0.00 1.25 0.00 0.00 42.46 41.31 1nkq s ILE 13 CO -0.09 0.33 -0.11 0.00 0.24 0.00 0.00 174.94 175.31 1nkq s ILE 15 N -1.24 3.92 0.56 0.00 2.07 -1.07 -1.66 121.20 123.76 1nkq s ILE 15 Ca -0.05 -0.54 0.09 0.00 -1.41 0.00 0.00 60.65 58.73 1nkq s ILE 15 Cb -0.10 -2.67 0.07 0.00 0.13 0.00 0.00 42.46 39.89 1nkq s ILE 15 CO 0.01 0.49 0.71 -0.83 -1.91 0.00 0.00 174.94 173.41 1nkq s GLY 16 N -1.18 1.86 0.00 1.50 0.00 -0.85 -3.81 107.32 104.84 1nkq s GLY 16 Ca 0.16 -1.96 0.00 0.00 0.00 0.00 0.00 44.72 42.91 1nkq s GLY 16 CO 0.05 -1.72 0.00 0.54 0.00 0.00 0.00 173.10 171.97 1nkq n ARG 17 N -2.13 0.00 -0.15 2.90 1.74 -1.26 -4.70 116.66 113.06 1nkq n ARG 17 Ca 0.12 0.00 0.09 0.00 -0.77 0.00 0.00 57.85 57.29 1nkq n ARG 17 Cb 0.62 0.00 0.13 0.00 -1.02 0.00 0.00 32.46 32.19 1nkq n ARG 17 CO 0.00 0.00 0.00 -1.71 -1.52 0.00 0.00 177.63 174.40 1nkq n ASN 18 N 0.73 2.09 -4.00 0.55 4.05 -1.26 -4.96 115.26 112.46 1nkq n ASN 18 Ca 0.00 -3.04 -0.20 0.00 0.45 0.00 0.00 54.58 51.79 1nkq n ASN 18 Cb 0.00 -0.42 -0.15 0.00 1.23 0.00 0.00 39.78 40.44 1nkq n ASN 18 CO 0.00 0.00 0.00 -0.31 -3.05 0.00 0.00 177.26 173.90 1nkq s TYR 19 N -2.63 0.91 0.32 1.20 1.51 -1.26 -0.85 117.35 116.55 1nkq s TYR 19 Ca 0.30 -0.22 -0.29 0.00 -1.01 0.00 0.00 57.07 55.85 1nkq s TYR 19 Cb 0.26 -0.65 -0.10 0.00 -0.11 0.00 0.00 41.96 41.36 1nkq s TYR 19 CO 0.02 -0.09 1.25 0.00 -1.11 0.00 0.00 175.55 175.62 1nkq s ALA 20 N 0.16 3.46 -0.39 3.71 0.00 -0.09 -4.87 121.76 123.74 1nkq s ALA 20 Ca -0.02 1.16 0.10 0.00 0.00 0.00 0.00 51.96 53.20 1nkq s ALA 20 Cb -0.08 -3.44 -0.12 0.00 0.00 0.00 0.00 23.12 19.48 1nkq s ALA 20 CO 0.00 -0.52 0.39 0.00 0.00 0.00 0.00 175.76 175.64 1nkq n ALA 21 N 0.87 3.15 -3.27 0.00 0.00 -1.26 -4.75 120.51 115.24 1nkq n ALA 21 Ca -0.00 -0.28 -0.13 0.00 0.00 0.00 0.00 53.44 53.03 1nkq n ALA 21 Cb 0.43 -0.37 -0.13 0.00 0.00 0.00 0.00 19.45 19.38 1nkq n ALA 21 CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 177.50 176.49 1nkq s HIS 22 N -2.13 -0.18 0.30 0.00 3.76 -1.26 -5.05 115.29 110.73 1nkq s HIS 22 Ca 0.02 0.46 0.04 0.00 -0.15 0.00 0.00 55.06 55.44 1nkq s HIS 22 Cb 0.08 0.02 0.78 0.00 1.11 0.00 0.00 32.58 34.57 1nkq s HIS 22 CO 0.43 -0.12 1.47 1.51 -0.85 0.00 0.00 174.74 177.18 1nkq n ILE 23 N 3.40 -0.39 -0.33 0.60 3.06 -1.26 -2.34 119.36 122.11 1nkq n ILE 23 Ca -0.17 2.04 0.27 0.00 -2.50 0.00 0.00 62.75 62.39 1nkq n ILE 23 Cb 0.57 -3.02 0.50 0.00 0.54 0.00 0.00 39.64 38.23 1nkq n ILE 23 CO 0.00 0.00 0.00 0.50 -2.50 0.00 0.00 176.55 174.55 1nkq h LYS 24 N 0.00 0.07 0.00 9.51 1.63 -2.02 0.14 116.57 125.90 1nkq h LYS 24 Ca 0.60 -0.00 0.00 0.00 -0.85 0.00 0.00 60.65 60.39 1nkq h LYS 24 Cb 1.29 -0.02 0.00 0.00 -0.60 0.00 0.00 32.23 32.90 1nkq h LYS 24 CO -0.86 0.05 0.00 -0.85 -3.45 0.00 0.00 179.45 174.34 1nkq n GLU 25 N -5.26 0.11 0.05 1.90 0.28 -0.99 -3.43 120.64 113.30 1nkq n GLU 25 Ca 0.33 0.19 0.07 0.00 -0.16 0.00 0.00 57.16 57.59 1nkq n GLU 25 Cb 1.11 -1.65 0.31 0.00 1.43 0.00 0.00 31.44 32.64 1nkq n GLU 25 CO 0.00 0.00 0.00 1.28 -0.16 0.00 0.00 177.13 178.25 1nkq n LEU 26 N -1.84 0.22 -2.66 -1.84 4.77 0.50 -3.01 117.00 113.13 1nkq n LEU 26 Ca 0.05 0.57 -0.34 0.00 -0.03 0.00 0.00 56.01 56.26 1nkq n LEU 26 Cb 0.31 -0.56 0.03 0.00 -2.33 0.00 0.00 43.42 40.87 1nkq n LEU 26 CO 0.24 -0.47 1.02 -0.46 -1.33 0.00 0.00 177.39 176.39 1nkq n ASN 27 N -1.76 6.50 0.00 -1.43 2.04 -1.22 -5.19 115.26 114.20 1nkq n ASN 27 Ca 0.02 -3.79 0.00 0.00 -0.44 0.00 0.00 54.58 50.37 1nkq n ASN 27 Cb 0.12 -0.82 0.00 0.00 -2.53 0.00 0.00 39.78 36.55 1nkq n ASN 27 CO 0.00 0.00 0.00 0.59 -0.44 0.00 0.00 177.26 177.41 1nkq n ASN 28 N -0.57 0.66 0.00 0.53 4.13 -1.16 -5.19 115.26 113.66 1nkq n ASN 28 Ca 0.50 0.00 0.00 0.00 1.68 0.00 0.00 54.58 56.76 1nkq n ASN 28 Cb 0.46 0.00 0.00 0.00 -1.54 0.00 0.00 39.78 38.70 1nkq n ASN 28 CO 0.00 0.00 0.00 1.67 0.28 0.00 0.00 177.26 179.21 1nkq n GLN 33 N 0.00 0.00 -3.80 3.52 0.00 -1.26 -5.06 117.38 110.79 1nkq n GLN 33 Ca 0.00 0.00 -0.32 0.00 -0.00 0.00 0.00 57.00 56.68 1nkq n GLN 33 Cb 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 30.24 30.19 1nkq n GLN 33 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.06 175.81 1nkq s PRO 34 N 0.00 3.54 0.23 3.69 0.04 -1.26 -5.08 135.00 136.15 1nkq s PRO 34 Ca 0.00 -0.22 0.11 0.00 0.04 0.00 0.00 61.00 60.93 1nkq s PRO 34 Cb 0.00 -3.00 -0.05 0.00 0.04 0.00 0.00 34.50 31.50 1nkq s PRO 34 CO 0.00 0.58 -0.20 -0.59 0.04 0.00 0.00 177.00 176.83 1nkq s PHE 35 N -1.48 2.15 0.12 0.56 -0.12 -1.26 -5.04 117.98 112.90 1nkq s PHE 35 Ca 0.34 -0.39 0.05 0.00 -0.05 0.00 0.00 56.93 56.88 1nkq s PHE 35 Cb -0.13 -1.00 -0.04 0.00 -0.63 0.00 0.00 43.02 41.23 1nkq s PHE 35 CO 0.23 0.55 -0.11 -0.06 -0.05 0.00 0.00 175.22 175.77 1nkq s PHE 36 N -2.25 1.22 0.06 3.49 0.40 -1.26 -2.02 117.98 117.63 1nkq s PHE 36 Ca 0.24 -0.64 -0.12 0.00 -0.60 0.00 0.00 56.93 55.80 1nkq s PHE 36 Cb -0.05 -0.64 0.01 0.00 0.51 0.00 0.00 43.02 42.85 1nkq s PHE 36 CO 0.11 0.07 0.28 -0.59 0.70 0.00 0.00 175.22 175.79 1nkq s PHE 37 N -2.54 -0.04 0.30 0.36 -0.12 -0.67 -4.98 117.98 110.29 1nkq s PHE 37 Ca 0.09 -0.20 0.06 0.00 -0.05 0.00 0.00 56.93 56.84 1nkq s PHE 37 Cb -0.02 0.07 -0.02 0.00 -0.63 0.00 0.00 43.02 42.41 1nkq s PHE 37 CO 0.01 -0.53 0.40 -0.51 -0.05 0.00 0.00 175.22 174.54 1nkq s LEU 38 N -2.35 4.03 -0.01 -1.99 1.43 -1.26 -0.79 118.68 117.75 1nkq s LEU 38 Ca -0.02 -0.14 0.02 0.00 -1.03 0.00 0.00 54.13 52.96 1nkq s LEU 38 Cb 0.01 -2.70 0.00 0.00 0.03 0.00 0.00 46.19 43.53 1nkq s LEU 38 CO -0.06 -0.28 -0.05 -0.54 0.23 0.00 0.00 176.35 175.64 1nkq s LYS 39 N -4.07 0.47 0.31 1.70 1.02 -0.87 -4.85 119.74 113.44 1nkq s LYS 39 Ca 0.40 -0.17 -0.28 0.00 0.02 0.00 0.00 55.97 55.95 1nkq s LYS 39 Cb -0.09 -0.47 -0.09 0.00 -0.52 0.00 0.00 37.83 36.66 1nkq s LYS 39 CO 0.30 0.08 1.02 -1.25 -0.92 0.00 0.00 175.35 174.58 1nkq s PRO 40 N 0.04 4.57 0.33 -1.68 0.04 -1.26 -3.97 135.00 133.08 1nkq s PRO 40 Ca -0.00 1.58 0.24 0.00 0.04 0.00 0.00 61.00 62.87 1nkq s PRO 40 Cb -0.04 -2.99 1.21 0.00 0.04 0.00 0.00 34.50 32.71 1nkq s PRO 40 CO -0.00 0.21 1.74 1.79 0.04 0.00 0.00 177.00 180.78 1nkq h THR 41 N 2.82 0.00 0.00 1.26 1.35 -1.93 -0.19 112.91 116.22 1nkq h THR 41 Ca -0.47 -0.09 0.00 0.00 -0.55 0.00 0.00 66.41 65.31 1nkq h THR 41 Cb 1.21 0.69 0.00 0.00 -1.73 0.00 0.00 68.15 68.32 1nkq h THR 41 CO 0.66 0.00 0.00 -1.54 -0.25 0.00 0.00 175.52 174.39 1nkq n SER 42 N -2.34 0.00 -0.71 5.36 3.41 -1.26 -2.29 113.62 115.80 1nkq n SER 42 Ca -0.00 0.09 0.12 0.00 -0.26 0.00 0.00 58.87 58.82 1nkq n SER 42 Cb 0.10 -0.31 0.34 0.00 -0.26 0.00 0.00 64.21 64.08 1nkq n SER 42 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 1nkq n SER 43 N -1.31 2.18 -4.77 4.04 3.41 -0.08 -4.18 113.62 112.90 1nkq n SER 43 Ca 0.08 -1.74 -0.38 0.00 -0.26 0.00 0.00 58.87 56.58 1nkq n SER 43 Cb 0.15 -0.05 -0.03 0.00 -0.26 0.00 0.00 64.21 64.02 1nkq n SER 43 CO 0.00 0.00 0.00 -0.63 -0.16 0.00 0.00 175.04 174.25 1nkq s ILE 44 N -1.89 3.36 -0.22 -1.33 1.01 -0.97 -1.82 121.20 119.33 1nkq s ILE 44 Ca 0.34 1.10 -0.20 0.00 0.00 0.00 0.00 60.65 61.89 1nkq s ILE 44 Cb 0.20 -3.60 0.06 0.00 0.01 0.00 0.00 42.46 39.13 1nkq s ILE 44 CO 0.31 0.07 0.59 0.54 0.00 0.00 0.00 174.94 176.44 1nkq s VAL 45 N -1.50 -0.00 0.40 2.92 0.11 -1.26 -4.44 120.40 116.63 1nkq s VAL 45 Ca 0.57 0.00 0.08 0.00 -2.93 0.00 0.00 61.98 59.70 1nkq s VAL 45 Cb -0.28 -0.82 -0.06 0.00 -1.53 0.00 0.00 36.38 33.69 1nkq s VAL 45 CO 0.34 0.00 0.09 0.42 -3.33 0.00 0.00 175.10 172.62 1nkq s THR 46 N 0.40 2.25 0.60 5.04 -4.23 -0.41 -1.54 115.64 117.75 1nkq s THR 46 Ca -0.01 -1.86 -0.18 0.00 -1.18 0.00 0.00 61.69 58.46 1nkq s THR 46 Cb -0.04 -2.96 -0.05 0.00 1.34 0.00 0.00 72.50 70.79 1nkq s THR 46 CO -0.00 -0.04 0.93 -2.65 -0.54 0.00 0.00 174.62 172.32 1nkq n PRO 47 N -1.09 0.87 0.24 3.99 -0.02 -1.26 -2.47 135.00 135.26 1nkq n PRO 47 Ca -0.03 0.34 0.18 0.00 -2.02 0.00 0.00 63.50 61.97 1nkq n PRO 47 Cb 0.65 -2.13 0.88 0.00 -0.02 0.00 0.00 33.50 32.88 1nkq n PRO 47 CO 0.00 0.00 0.00 -0.07 1.98 0.00 0.00 175.50 177.41 1nkq h LEU 48 N 0.47 0.00 -3.42 2.45 3.38 -1.81 -0.62 115.31 115.77 1nkq h LEU 48 Ca -0.48 0.00 -0.13 0.00 0.09 0.00 0.00 57.88 57.36 1nkq h LEU 48 Cb 1.37 0.00 -0.08 0.00 0.09 0.00 0.00 40.66 42.04 1nkq h LEU 48 CO 0.51 0.00 0.06 -1.54 0.09 0.00 0.00 178.44 177.55 1nkq n SER 49 N -3.52 3.57 0.09 -0.43 3.41 -1.26 -4.60 113.62 110.88 1nkq n SER 49 Ca 0.01 -3.35 -0.09 0.00 -0.26 0.00 0.00 58.87 55.18 1nkq n SER 49 Cb 0.32 -0.63 -0.03 0.00 -0.26 0.00 0.00 64.21 63.61 1nkq n SER 49 CO 0.00 0.00 0.00 0.77 -0.16 0.00 0.00 175.04 175.65 1nkq h SER 50 N 1.64 0.23 0.00 4.04 4.64 -1.44 -3.53 113.55 119.13 1nkq h SER 50 Ca 0.16 -0.20 0.00 0.00 -0.47 0.00 0.00 61.79 61.28 1nkq h SER 50 Cb 1.76 -0.07 0.00 0.00 -0.31 0.00 0.00 62.40 63.78 1nkq h SER 50 CO 0.42 1.03 0.00 -0.24 -0.87 0.00 0.00 176.83 177.17 1nkq n SER 51 N -3.61 0.00 0.00 4.97 2.88 -1.26 -5.03 113.62 111.57 1nkq n SER 51 Ca -0.03 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.51 1nkq n SER 51 Cb 0.84 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 64.30 1nkq n SER 51 CO 0.00 0.00 0.00 -0.81 -1.23 0.00 0.00 175.04 173.00 1nkq n PRO 58 N 0.00 0.00 -4.26 -1.46 -0.04 -1.26 -5.10 135.00 122.88 1nkq n PRO 58 Ca 0.00 0.00 -0.33 0.00 -0.04 0.00 0.00 63.50 63.13 1nkq n PRO 58 Cb 0.00 0.00 -0.16 0.00 -0.04 0.00 0.00 33.50 33.30 1nkq n PRO 58 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1nkq s ALA 59 N -3.84 2.40 0.00 0.55 0.00 -1.26 -4.63 121.76 114.98 1nkq s ALA 59 Ca 0.00 -1.16 0.00 0.00 0.00 0.00 0.00 51.96 50.80 1nkq s ALA 59 Cb 0.00 -1.22 0.00 0.00 0.00 0.00 0.00 23.12 21.90 1nkq s ALA 59 CO 0.00 -0.25 0.00 -1.71 0.00 0.00 0.00 175.76 173.80 1nkq n ASN 60 N 4.46 -3.15 -4.68 0.00 5.15 -1.26 -4.97 115.26 110.81 1nkq n ASN 60 Ca -0.20 0.00 -0.41 0.00 -0.60 0.00 0.00 54.58 53.37 1nkq n ASN 60 Cb 0.51 -1.86 -0.04 0.00 -0.53 0.00 0.00 39.78 37.86 1nkq n ASN 60 CO 0.00 0.00 0.00 -0.55 1.40 0.00 0.00 177.26 178.11 1nkq s SER 61 N -2.15 7.01 0.00 1.20 0.15 -1.26 -4.79 113.70 113.86 1nkq s SER 61 Ca 0.00 1.24 0.26 0.00 0.70 0.00 0.00 55.95 58.14 1nkq s SER 61 Cb 0.00 -2.47 0.54 0.00 -1.71 0.00 0.00 66.02 62.39 1nkq s SER 61 CO 0.00 -0.36 1.46 0.35 1.20 0.00 0.00 173.24 175.89 1nkq n THR 62 N 4.55 0.00 -3.45 6.45 -2.24 -1.26 -4.77 114.28 113.56 1nkq n THR 62 Ca 0.04 -0.40 0.01 0.00 -2.27 0.00 0.00 64.05 61.43 1nkq n THR 62 Cb 0.49 1.09 -0.04 0.00 -2.10 0.00 0.00 70.33 69.76 1nkq n THR 62 CO 0.00 0.00 0.00 0.12 -0.57 0.00 0.00 175.07 174.62 1nkq s PHE 63 N -2.00 -0.72 -0.10 4.78 5.36 -1.26 -4.64 117.98 119.41 1nkq s PHE 63 Ca 0.32 1.27 0.13 0.00 -0.96 0.00 0.00 56.93 57.70 1nkq s PHE 63 Cb 0.20 0.43 0.23 0.00 -0.34 0.00 0.00 43.02 43.55 1nkq s PHE 63 CO 0.31 -0.36 1.12 -1.71 -1.46 0.00 0.00 175.22 173.12 1nkq n ASN 64 N 4.87 1.59 0.00 6.13 4.05 -1.26 -5.04 115.26 125.60 1nkq n ASN 64 Ca -0.10 -2.83 0.00 0.00 0.45 0.00 0.00 54.58 52.10 1nkq n ASN 64 Cb 0.53 -0.37 0.00 0.00 1.23 0.00 0.00 39.78 41.17 1nkq n ASN 64 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 177.26 174.82 1nkq n GLY 65 N -0.94 1.03 3.91 8.20 0.00 -1.26 -5.02 105.19 111.11 1nkq n GLY 65 Ca 0.12 -1.89 -0.27 0.00 0.00 0.00 0.00 46.02 43.98 1nkq n GLY 65 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1nkq s LEU 66 N -0.75 3.77 0.74 0.99 1.43 -1.26 -4.90 118.68 118.69 1nkq s LEU 66 Ca 0.00 0.83 -0.08 0.00 -1.03 0.00 0.00 54.13 53.85 1nkq s LEU 66 Cb 0.00 -3.75 0.07 0.00 0.03 0.00 0.00 46.19 42.54 1nkq s LEU 66 CO 0.00 -0.47 1.07 0.20 0.23 0.00 0.00 176.35 177.38 1nkq s ASN 67 N -3.90 4.68 0.32 2.29 0.01 -0.86 -4.87 114.94 112.61 1nkq s ASN 67 Ca 0.46 0.53 0.22 0.00 -0.71 0.00 0.00 52.86 53.36 1nkq s ASN 67 Cb -0.10 -1.12 1.16 0.00 0.41 0.00 0.00 41.25 41.61 1nkq s ASN 67 CO 0.40 -1.72 1.68 1.21 -1.51 0.00 0.00 177.10 177.16 1nkq n GLU 68 N -3.05 0.15 -0.02 -0.60 2.13 -1.26 -0.38 120.64 117.61 1nkq n GLU 68 Ca 0.08 0.61 -0.10 0.00 0.66 0.00 0.00 57.16 58.42 1nkq n GLU 68 Cb 0.61 -1.96 0.05 0.00 0.27 0.00 0.00 31.44 30.41 1nkq n GLU 68 CO 0.00 0.00 0.00 0.22 -0.41 0.00 0.00 177.13 176.94 1nkq h ASP 69 N 0.00 0.68 0.00 4.31 -0.00 -1.95 -3.47 116.42 115.98 1nkq h ASP 69 Ca 0.00 -0.34 0.00 0.00 -0.00 0.00 0.00 57.03 56.69 1nkq h ASP 69 Cb 0.05 -0.19 0.00 0.00 -0.00 0.00 0.00 39.33 39.18 1nkq h ASP 69 CO 0.00 1.06 0.00 0.61 -0.00 0.00 0.00 179.24 180.91 1nkq n GLY 70 N 0.20 0.22 3.92 -0.78 0.00 0.49 -2.62 105.19 106.61 1nkq n GLY 70 Ca -0.03 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.72 1nkq n GLY 70 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1nkq s THR 71 N -2.00 3.94 -0.46 2.61 -4.23 -1.26 -4.70 115.64 109.54 1nkq s THR 71 Ca 0.00 0.04 0.07 0.00 -1.18 0.00 0.00 61.69 60.62 1nkq s THR 71 Cb 0.00 -3.55 0.27 0.00 1.34 0.00 0.00 72.50 70.56 1nkq s THR 71 CO 0.00 -0.55 0.88 -3.20 -0.54 0.00 0.00 174.62 171.21 1nkq n ASN 72 N -2.50 -2.12 -4.67 3.99 5.15 -1.26 -2.02 115.26 111.83 1nkq n ASN 72 Ca 0.04 -3.29 -0.46 0.00 -0.60 0.00 0.00 54.58 50.27 1nkq n ASN 72 Cb 0.57 1.36 -0.04 0.00 -0.53 0.00 0.00 39.78 41.14 1nkq n ASN 72 CO 0.00 0.00 0.00 -2.65 1.40 0.00 0.00 177.26 176.01 1nkq n PRO 73 N 1.25 2.11 0.00 1.20 -0.02 -1.26 -1.28 135.00 137.00 1nkq n PRO 73 Ca 0.11 0.76 0.00 0.00 -2.02 0.00 0.00 63.50 62.35 1nkq n PRO 73 Cb 0.63 -2.50 0.00 0.00 -0.02 0.00 0.00 33.50 31.61 1nkq n PRO 73 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1nkq n GLY 74 N 3.10 -0.33 3.96 -1.23 0.00 -1.03 -4.87 105.19 104.78 1nkq n GLY 74 Ca 0.16 -1.09 -0.26 0.00 0.00 0.00 0.00 46.02 44.83 1nkq n GLY 74 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1nkq s PRO 75 N -2.00 1.58 -0.30 1.61 0.04 -1.26 -4.43 135.00 130.24 1nkq s PRO 75 Ca 0.00 -0.68 -0.18 0.00 0.04 0.00 0.00 61.00 60.18 1nkq s PRO 75 Cb 0.00 -2.17 -0.02 0.00 0.04 0.00 0.00 34.50 32.35 1nkq s PRO 75 CO 0.00 -1.61 0.50 0.42 0.04 0.00 0.00 177.00 176.35 1nkq s ILE 76 N -3.35 5.05 -0.43 0.56 1.01 0.11 -4.91 121.20 119.23 1nkq s ILE 76 Ca 0.66 0.64 -0.22 0.00 0.00 0.00 0.00 60.65 61.73 1nkq s ILE 76 Cb -0.07 -3.87 0.02 0.00 0.01 0.00 0.00 42.46 38.55 1nkq s ILE 76 CO 0.46 -0.03 0.72 -0.36 0.00 0.00 0.00 174.94 175.73 1nkq s PHE 77 N 2.33 3.04 -0.33 3.97 2.99 -1.26 -0.63 117.98 128.09 1nkq s PHE 77 Ca 0.20 0.11 -0.17 0.00 0.00 0.00 0.00 56.93 57.06 1nkq s PHE 77 Cb -0.15 -3.48 -0.01 0.00 0.00 0.00 0.00 43.02 39.37 1nkq s PHE 77 CO 0.11 -0.90 0.46 0.42 -0.00 0.00 0.00 175.22 175.31 1nkq s ILE 78 N 3.05 5.08 0.63 0.64 1.01 0.46 -4.71 121.20 127.36 1nkq s ILE 78 Ca 0.27 0.31 -0.19 0.00 0.00 0.00 0.00 60.65 61.04 1nkq s ILE 78 Cb -0.13 -3.89 -0.02 0.00 0.01 0.00 0.00 42.46 38.43 1nkq s ILE 78 CO 0.20 -0.13 1.31 -2.84 0.00 0.00 0.00 174.94 173.49 1nkq s PRO 79 N 2.25 2.66 0.33 2.79 0.02 -1.26 -1.19 135.00 140.61 1nkq s PRO 79 Ca 0.17 2.12 -0.29 0.00 0.02 0.00 0.00 61.00 63.01 1nkq s PRO 79 Cb -0.16 -1.93 -0.11 0.00 0.02 0.00 0.00 34.50 32.32 1nkq s PRO 79 CO 0.12 -1.53 1.49 1.03 -0.33 0.00 0.00 177.00 177.78 1nkq s ARG 80 N -3.28 4.16 0.00 5.54 1.81 -1.26 -2.37 118.95 123.55 1nkq s ARG 80 Ca 0.80 2.50 0.00 0.00 -1.72 0.00 0.00 55.73 57.31 1nkq s ARG 80 Cb -0.39 -3.01 0.00 0.00 -0.45 0.00 0.00 34.95 31.10 1nkq s ARG 80 CO 0.42 -0.50 0.00 0.41 -0.68 0.00 0.00 175.30 174.95 1nkq n GLY 81 N 1.18 1.16 3.87 -3.53 0.00 -1.26 -0.69 105.19 105.92 1nkq n GLY 81 Ca 0.04 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.70 1nkq n GLY 81 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1nkq s VAL 82 N -2.75 5.18 -0.27 1.61 1.01 -1.00 -4.65 120.40 119.53 1nkq s VAL 82 Ca 0.00 0.41 -0.06 0.00 0.00 0.00 0.00 61.98 62.33 1nkq s VAL 82 Cb 0.00 -3.62 0.00 0.00 0.00 0.00 0.00 36.38 32.77 1nkq s VAL 82 CO 0.00 0.38 0.04 -0.54 0.00 0.00 0.00 175.10 174.98 1nkq s LYS 83 N -1.67 3.18 -0.18 2.72 1.02 -1.26 -4.85 119.74 118.71 1nkq s LYS 83 Ca 0.29 -0.78 -0.08 0.00 0.02 0.00 0.00 55.97 55.41 1nkq s LYS 83 Cb -0.14 -3.26 -0.05 0.00 -0.52 0.00 0.00 37.83 33.86 1nkq s LYS 83 CO 0.16 -0.36 0.11 0.08 -0.92 0.00 0.00 175.35 174.41 1nkq s VAL 84 N 1.49 5.20 -0.10 3.17 1.01 -1.26 0.08 120.40 129.99 1nkq s VAL 84 Ca 0.03 0.11 0.01 0.00 0.00 0.00 0.00 61.98 62.13 1nkq s VAL 84 Cb -0.16 -3.34 -0.02 0.00 0.00 0.00 0.00 36.38 32.86 1nkq s VAL 84 CO 0.01 0.48 -0.13 -1.00 0.00 0.00 0.00 175.10 174.46 1nkq s HIS 85 N 0.10 2.78 0.17 5.22 3.76 -0.28 -1.09 115.29 125.94 1nkq s HIS 85 Ca 0.08 -0.42 -0.15 0.00 -0.15 0.00 0.00 55.06 54.42 1nkq s HIS 85 Cb -0.12 -1.76 -0.07 0.00 1.11 0.00 0.00 32.58 31.75 1nkq s HIS 85 CO -0.00 -0.03 0.58 -3.38 -0.85 0.00 0.00 174.74 171.05 1nkq s HIS 86 N -0.11 3.59 -0.27 1.40 -3.43 -0.69 -1.99 115.29 113.78 1nkq s HIS 86 Ca -0.01 1.10 -0.03 0.00 -0.80 0.00 0.00 55.06 55.31 1nkq s HIS 86 Cb -0.14 -2.40 0.10 0.00 -1.43 0.00 0.00 32.58 28.72 1nkq s HIS 86 CO 0.03 0.39 0.17 -1.21 -2.00 0.00 0.00 174.74 172.13 1nkq s GLU 87 N -2.05 0.21 0.12 -0.38 2.02 -1.22 -4.00 118.70 113.39 1nkq s GLU 87 Ca 0.40 -0.34 -0.30 0.00 0.02 0.00 0.00 54.97 54.75 1nkq s GLU 87 Cb -0.15 -1.11 -0.06 0.00 0.10 0.00 0.00 34.13 32.91 1nkq s GLU 87 CO 0.19 -0.96 1.11 -1.50 0.02 0.00 0.00 175.26 174.12 1nkq s ILE 88 N 2.18 4.08 0.06 -1.63 1.10 -1.26 -0.61 121.20 125.11 1nkq s ILE 88 Ca 0.08 1.65 -0.09 0.00 -0.51 0.00 0.00 60.65 61.78 1nkq s ILE 88 Cb -0.15 -4.06 0.00 0.00 0.15 0.00 0.00 42.46 38.40 1nkq s ILE 88 CO -0.31 0.22 0.20 -1.61 -2.11 0.00 0.00 174.94 171.32 1nkq s GLU 89 N 0.24 0.75 -0.12 3.50 2.02 0.19 -4.22 118.70 121.05 1nkq s GLU 89 Ca 0.52 -0.75 -0.21 0.00 0.02 0.00 0.00 54.97 54.56 1nkq s GLU 89 Cb -0.28 0.31 -0.04 0.00 0.10 0.00 0.00 34.13 34.22 1nkq s GLU 89 CO 0.32 -0.23 0.59 -1.17 0.02 0.00 0.00 175.26 174.79 1nkq s LEU 90 N -2.37 4.25 -0.10 1.80 2.96 -1.26 -1.61 118.68 122.36 1nkq s LEU 90 Ca -0.01 0.94 -0.01 0.00 -0.22 0.00 0.00 54.13 54.83 1nkq s LEU 90 Cb 0.01 -2.87 -0.03 0.00 0.50 0.00 0.00 46.19 43.80 1nkq s LEU 90 CO -0.06 -0.11 -0.07 0.00 -1.32 0.00 0.00 176.35 174.79 1nkq s ALA 91 N 1.03 2.93 -0.11 5.97 0.00 0.47 -1.59 121.76 130.46 1nkq s ALA 91 Ca 0.30 -0.87 -0.06 0.00 0.00 0.00 0.00 51.96 51.34 1nkq s ALA 91 Cb -0.16 -1.31 -0.04 0.00 0.00 0.00 0.00 23.12 21.61 1nkq s ALA 91 CO 0.13 0.43 0.10 -0.51 0.00 0.00 0.00 175.76 175.91 1nkq s LEU 92 N -0.33 4.17 -0.46 0.00 1.43 -0.18 -0.28 118.68 123.03 1nkq s LEU 92 Ca 0.05 0.37 -0.06 0.00 -1.03 0.00 0.00 54.13 53.46 1nkq s LEU 92 Cb -0.13 -2.00 0.12 0.00 0.03 0.00 0.00 46.19 44.21 1nkq s LEU 92 CO 0.02 0.39 0.30 -0.63 0.23 0.00 0.00 176.35 176.67 1nkq s ILE 93 N -0.93 3.84 0.45 -0.59 1.09 -0.69 -1.35 121.20 123.02 1nkq s ILE 93 Ca 0.14 -1.98 -0.25 0.00 -1.10 0.00 0.00 60.65 57.46 1nkq s ILE 93 Cb -0.12 -3.56 -0.08 0.00 -1.06 0.00 0.00 42.46 37.64 1nkq s ILE 93 CO 0.03 -0.76 1.35 0.52 -0.10 0.00 0.00 174.94 175.99 1nkq n VAL 94 N 4.67 2.85 -0.06 2.92 0.31 -0.23 -0.88 118.33 127.92 1nkq n VAL 94 Ca -0.04 -0.50 0.00 0.00 -0.01 0.00 0.00 64.34 63.79 1nkq n VAL 94 Cb 0.41 -1.70 0.00 0.00 -0.91 0.00 0.00 33.84 31.64 1nkq n VAL 94 CO 0.00 0.00 0.00 -1.54 -1.32 0.00 0.00 176.83 173.97 1nkq n SER 95 N -0.15 1.13 -3.97 4.52 3.41 0.18 -0.52 113.62 118.22 1nkq n SER 95 Ca 0.07 -1.19 -0.09 0.00 -0.26 0.00 0.00 58.87 57.39 1nkq n SER 95 Cb 0.41 0.00 -0.05 0.00 -0.26 0.00 0.00 64.21 64.31 1nkq n SER 95 CO 0.00 0.00 0.00 -1.59 -0.16 0.00 0.00 175.04 173.29 1nkq s LYS 96 N -0.19 1.56 -0.16 4.33 -2.85 -1.25 -4.56 119.74 116.62 1nkq s LYS 96 Ca 0.00 -1.27 -0.29 0.00 -1.00 0.00 0.00 55.97 53.41 1nkq s LYS 96 Cb 0.00 0.47 -0.01 0.00 -2.06 0.00 0.00 37.83 36.23 1nkq s LYS 96 CO 0.00 -0.65 1.23 -1.01 0.10 0.00 0.00 175.35 175.02 1nkq s HIS 97 N -3.98 2.93 -0.23 1.78 3.76 -1.26 -3.64 115.29 114.64 1nkq s HIS 97 Ca 0.23 1.07 0.01 0.00 -0.15 0.00 0.00 55.06 56.22 1nkq s HIS 97 Cb -0.01 -3.47 0.06 0.00 1.11 0.00 0.00 32.58 30.27 1nkq s HIS 97 CO 0.09 -1.55 -0.08 -0.51 -0.85 0.00 0.00 174.74 171.84 1nkq s LEU 98 N 3.33 2.79 -0.05 0.89 1.43 -0.46 -4.99 118.68 121.62 1nkq s LEU 98 Ca 0.54 -1.18 -0.02 0.00 -1.03 0.00 0.00 54.13 52.44 1nkq s LEU 98 Cb -0.21 -1.32 0.03 0.00 0.03 0.00 0.00 46.19 44.72 1nkq s LEU 98 CO 0.15 -0.20 0.05 -0.55 0.23 0.00 0.00 176.35 176.03 1nkq s SER 99 N 1.30 1.21 -1.38 2.29 0.15 -1.26 -0.88 113.70 115.13 1nkq s SER 99 Ca -0.06 0.05 -0.07 0.00 0.70 0.00 0.00 55.95 56.57 1nkq s SER 99 Cb -0.19 -0.17 0.03 0.00 -1.71 0.00 0.00 66.02 63.98 1nkq s SER 99 CO -0.06 -0.25 0.99 0.59 1.20 0.00 0.00 173.24 175.71 1nkq n ASN 100 N 5.28 -4.04 -4.72 5.45 3.02 0.73 -4.93 115.26 116.04 1nkq n ASN 100 Ca -0.03 -0.69 -0.42 0.00 -0.03 0.00 0.00 54.58 53.41 1nkq n ASN 100 Cb 0.50 -4.48 -0.03 0.00 -0.61 0.00 0.00 39.78 35.16 1nkq n ASN 100 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 1nkq s VAL 101 N -3.40 3.54 0.05 2.41 1.01 -1.26 -4.94 120.40 117.81 1nkq s VAL 101 Ca 0.39 1.16 0.01 0.00 0.00 0.00 0.00 61.98 63.54 1nkq s VAL 101 Cb -0.18 -3.74 -0.25 0.00 0.00 0.00 0.00 36.38 32.20 1nkq s VAL 101 CO 0.78 0.12 1.04 0.71 0.00 0.00 0.00 175.10 177.75 1nkq h THR 102 N 4.15 1.39 -2.63 3.92 1.35 -1.91 -3.45 112.91 115.72 1nkq h THR 102 Ca -0.43 -3.05 0.01 0.00 -0.55 0.00 0.00 66.41 62.39 1nkq h THR 102 Cb 1.21 2.80 0.00 0.00 -1.73 0.00 0.00 68.15 70.44 1nkq h THR 102 CO 0.81 0.85 0.25 2.29 -0.25 0.00 0.00 175.52 179.48 1nkq n LYS 103 N -3.40 0.76 -3.89 4.72 2.85 -1.26 -5.06 118.16 112.88 1nkq n LYS 103 Ca -0.09 -1.52 -0.09 0.00 -1.05 0.00 0.00 58.31 55.56 1nkq n LYS 103 Cb 1.01 1.92 -0.07 0.00 -0.65 0.00 0.00 35.03 37.23 1nkq n LYS 103 CO 0.00 0.00 0.00 0.15 -0.05 0.00 0.00 177.40 177.50 1nkq s LYS 105 N -2.06 0.86 0.42 -1.58 1.02 -1.26 -5.08 119.74 112.06 1nkq s LYS 105 Ca 0.13 -1.01 0.12 0.00 0.02 0.00 0.00 55.97 55.23 1nkq s LYS 105 Cb -0.03 0.33 0.98 0.00 -0.52 0.00 0.00 37.83 38.59 1nkq s LYS 105 CO 0.08 -0.27 1.98 -1.35 -0.92 0.00 0.00 175.35 174.87 1nkq h PRO 106 N 2.76 0.44 0.00 -1.68 0.11 -1.96 -1.32 132.00 130.36 1nkq h PRO 106 Ca -0.34 -0.03 -0.01 0.00 0.11 0.00 0.00 66.00 65.74 1nkq h PRO 106 Cb 1.20 -0.10 -0.00 0.00 0.11 0.00 0.00 31.00 32.21 1nkq h PRO 106 CO 0.56 0.29 -0.03 0.93 -0.21 0.00 0.00 178.00 179.55 1nkq h GLU 107 N 0.46 0.00 0.00 1.05 3.07 -1.77 -2.61 114.58 114.78 1nkq h GLU 107 Ca 0.27 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.13 1nkq h GLU 107 Cb 0.45 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.36 1nkq h GLU 107 CO -0.08 0.03 -0.32 0.39 -1.40 0.00 0.00 179.01 177.63 1nkq n GLU 108 N -3.21 0.14 -0.12 2.33 1.02 -0.50 -3.99 120.64 116.32 1nkq n GLU 108 Ca -0.01 0.07 -0.09 0.00 -0.02 0.00 0.00 57.16 57.11 1nkq n GLU 108 Cb 0.22 -1.61 -0.01 0.00 -0.02 0.00 0.00 31.44 30.01 1nkq n GLU 108 CO 0.00 0.00 0.00 0.28 1.18 0.00 0.00 177.13 178.59 1nkq h VAL 109 N 0.00 1.13 -0.87 2.62 2.07 -1.54 -2.61 116.25 117.05 1nkq h VAL 109 Ca 0.00 -0.31 0.11 0.00 0.82 0.00 0.00 66.70 67.32 1nkq h VAL 109 Cb 0.62 0.66 -0.08 0.00 -1.52 0.00 0.00 31.29 30.97 1nkq h VAL 109 CO 0.00 0.13 0.50 0.22 0.02 0.00 0.00 177.57 178.44 1nkq h TYR 110 N 0.49 0.91 -0.00 1.57 3.20 -1.76 -1.15 116.97 120.22 1nkq h TYR 110 Ca 0.13 0.03 0.00 0.00 3.14 0.00 0.00 58.73 62.03 1nkq h TYR 110 Cb 0.02 -0.28 0.00 0.00 1.54 0.00 0.00 36.73 38.01 1nkq h TYR 110 CO -0.03 0.35 -0.02 -0.25 -1.64 0.00 0.00 178.16 176.57 1nkq n ASP 111 N -4.73 0.31 -0.18 -2.11 8.00 -1.08 -3.28 116.55 113.48 1nkq n ASP 111 Ca 0.15 -0.88 0.09 0.00 0.71 0.00 0.00 54.79 54.86 1nkq n ASP 111 Cb 0.31 -0.05 -0.06 0.00 -0.02 0.00 0.00 41.12 41.30 1nkq n ASP 111 CO 0.00 0.00 0.00 -1.20 -0.39 0.00 0.00 177.20 175.61 1nkq n SER 112 N -0.85 1.25 -4.34 -2.24 7.64 -0.46 -4.83 113.62 109.79 1nkq n SER 112 Ca 0.20 -1.13 -0.18 0.00 1.01 0.00 0.00 58.87 58.77 1nkq n SER 112 Cb 0.20 0.78 -0.10 0.00 -1.01 0.00 0.00 64.21 64.07 1nkq n SER 112 CO 0.00 0.00 0.00 0.27 -3.01 0.00 0.00 175.04 172.30 1nkq s ILE 113 N -2.47 1.65 -0.60 0.44 -4.36 -1.08 0.47 121.20 115.25 1nkq s ILE 113 Ca 0.11 -2.18 0.16 0.00 -0.26 0.00 0.00 60.65 58.48 1nkq s ILE 113 Cb 0.14 -2.07 -0.20 0.00 1.25 0.00 0.00 42.46 41.58 1nkq s ILE 113 CO 0.63 -0.58 0.62 -1.54 0.24 0.00 0.00 174.94 174.31 1nkq n SER 114 N -0.38 0.86 0.00 4.36 3.41 -0.06 -4.69 113.62 117.12 1nkq n SER 114 Ca -0.08 -0.68 0.00 0.00 -0.26 0.00 0.00 58.87 57.85 1nkq n SER 114 Cb 0.61 1.18 0.00 0.00 -0.26 0.00 0.00 64.21 65.74 1nkq n SER 114 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1nkq n GLY 115 N 1.42 -1.20 3.26 5.00 0.00 -1.25 -1.50 105.19 110.91 1nkq n GLY 115 Ca 0.02 -1.11 -0.14 0.00 0.00 0.00 0.00 46.02 44.78 1nkq n GLY 115 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1nkq s VAL 116 N -3.00 0.70 0.11 1.61 -7.23 -0.30 -1.70 120.40 110.59 1nkq s VAL 116 Ca 0.00 -1.99 -0.06 0.00 -1.81 0.00 0.00 61.98 58.12 1nkq s VAL 116 Cb 0.00 -2.20 -0.02 0.00 0.56 0.00 0.00 36.38 34.72 1nkq s VAL 116 CO 0.00 -0.41 0.15 0.00 -0.31 0.00 0.00 175.10 174.53 1nkq s ALA 117 N -3.64 0.14 -0.29 1.32 0.00 0.62 -0.69 121.76 119.21 1nkq s ALA 117 Ca 0.26 -0.93 -0.10 0.00 0.00 0.00 0.00 51.96 51.19 1nkq s ALA 117 Cb 0.06 0.59 -0.04 0.00 0.00 0.00 0.00 23.12 23.74 1nkq s ALA 117 CO 0.06 -0.51 0.17 -1.17 0.00 0.00 0.00 175.76 174.30 1nkq s LEU 118 N -2.93 3.98 0.12 0.00 2.96 -1.26 -0.39 118.68 121.15 1nkq s LEU 118 Ca 0.11 -0.18 0.05 0.00 -0.22 0.00 0.00 54.13 53.90 1nkq s LEU 118 Cb 0.05 -2.07 -0.04 0.00 0.50 0.00 0.00 46.19 44.64 1nkq s LEU 118 CO -0.06 -0.09 -0.13 0.00 -1.32 0.00 0.00 176.35 174.74 1nkq s ALA 119 N 1.71 1.41 -0.19 5.97 0.00 -0.63 -1.19 121.76 128.84 1nkq s ALA 119 Ca 0.06 -1.27 -0.05 0.00 0.00 0.00 0.00 51.96 50.71 1nkq s ALA 119 Cb -0.16 -0.06 -0.03 0.00 0.00 0.00 0.00 23.12 22.88 1nkq s ALA 119 CO 0.09 0.08 -0.00 -0.51 0.00 0.00 0.00 175.76 175.41 1nkq s LEU 120 N -2.43 3.31 -0.95 0.00 1.43 -0.07 -0.64 118.68 119.33 1nkq s LEU 120 Ca 0.08 -0.16 -0.12 0.00 -1.03 0.00 0.00 54.13 52.90 1nkq s LEU 120 Cb -0.05 -1.83 0.23 0.00 0.03 0.00 0.00 46.19 44.58 1nkq s LEU 120 CO 0.02 0.10 0.93 -0.62 0.23 0.00 0.00 176.35 177.02 1nkq s ASP 121 N 0.80 6.97 0.22 2.29 2.15 0.22 -3.39 116.67 125.93 1nkq s ASP 121 Ca 0.00 -3.00 -0.30 0.00 0.43 0.00 0.00 52.55 49.69 1nkq s ASP 121 Cb -0.14 -2.23 -0.08 0.00 -0.30 0.00 0.00 42.92 40.17 1nkq s ASP 121 CO 0.02 -0.50 1.04 -0.76 -0.17 0.00 0.00 175.17 174.80 1nkq s LEU 122 N -0.18 4.56 -0.01 -1.34 1.43 -0.93 -3.45 118.68 118.76 1nkq s LEU 122 Ca 0.24 2.08 0.03 0.00 -1.03 0.00 0.00 54.13 55.45 1nkq s LEU 122 Cb -0.09 -3.61 -0.01 0.00 0.03 0.00 0.00 46.19 42.51 1nkq s LEU 122 CO -0.08 -0.07 -0.09 -0.89 0.23 0.00 0.00 176.35 175.44 1nkq s THR 123 N -0.79 0.71 -0.94 5.49 2.01 -0.84 -4.66 115.64 116.63 1nkq s THR 123 Ca 0.45 -0.40 -0.21 0.00 0.31 0.00 0.00 61.69 61.84 1nkq s THR 123 Cb -0.29 -0.60 0.09 0.00 0.01 0.00 0.00 72.50 71.71 1nkq s THR 123 CO 0.36 0.19 1.25 0.00 -0.69 0.00 0.00 174.62 175.73 1nkq s ALA 124 N -0.23 3.05 0.16 7.40 0.00 0.21 -1.13 121.76 131.22 1nkq s ALA 124 Ca 0.03 -2.42 -0.16 0.00 0.00 0.00 0.00 51.96 49.41 1nkq s ALA 124 Cb -0.04 -4.24 0.09 0.00 0.00 0.00 0.00 23.12 18.94 1nkq s ALA 124 CO -0.00 -3.24 1.70 0.00 0.00 0.00 0.00 175.76 174.22 1nkq h ARG 125 N 9.35 0.10 0.00 0.00 -0.00 -0.67 0.29 114.38 123.45 1nkq h ARG 125 Ca 0.12 -0.01 -0.09 0.00 -0.50 0.00 0.00 59.98 59.50 1nkq h ARG 125 Cb 1.02 -0.02 -0.01 0.00 0.00 0.00 0.00 29.97 30.96 1nkq h ARG 125 CO 1.25 0.07 -0.43 -2.95 0.00 0.00 0.00 179.97 177.91 1nkq h ASN 126 N 0.11 0.00 0.29 7.04 -1.07 -1.90 0.27 115.58 120.31 1nkq h ASN 126 Ca 0.18 0.00 -0.19 0.00 0.07 0.00 0.00 56.30 56.36 1nkq h ASN 126 Cb 0.26 0.00 -0.00 0.00 -2.07 0.00 0.00 38.32 36.50 1nkq h ASN 126 CO -0.31 0.43 -0.77 0.58 0.07 0.00 0.00 177.43 177.44 1nkq h VAL 127 N 0.00 1.39 -0.03 6.14 2.07 -1.75 -2.87 116.25 121.20 1nkq h VAL 127 Ca -0.00 -2.21 -0.21 0.00 0.82 0.00 0.00 66.70 65.09 1nkq h VAL 127 Cb 0.87 2.18 0.00 0.00 -1.52 0.00 0.00 31.29 32.82 1nkq h VAL 127 CO 0.06 0.66 -0.87 -0.61 0.02 0.00 0.00 177.57 176.83 1nkq h GLN 128 N 0.26 0.42 -0.39 1.57 4.15 0.06 -2.53 115.11 118.65 1nkq h GLN 128 Ca -0.04 -0.42 0.01 0.00 0.77 0.00 0.00 58.65 58.98 1nkq h GLN 128 Cb 1.36 0.11 -0.03 0.00 0.21 0.00 0.00 27.48 29.13 1nkq h GLN 128 CO 0.13 1.07 0.23 -0.44 -1.93 0.00 0.00 178.83 177.90 1nkq h ASP 129 N 0.26 0.38 -0.67 -0.69 3.32 -0.45 -0.80 116.42 117.77 1nkq h ASP 129 Ca -0.06 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.99 1nkq h ASP 129 Cb 1.49 -0.08 -0.03 0.00 0.22 0.00 0.00 39.33 40.93 1nkq h ASP 129 CO 0.15 0.28 0.43 -0.08 -1.72 0.00 0.00 179.24 178.30 1nkq h GLU 130 N 0.48 0.89 -0.54 3.56 4.81 -1.49 -1.81 114.58 120.48 1nkq h GLU 130 Ca 0.15 -0.06 -0.01 0.00 -0.13 0.00 0.00 59.36 59.31 1nkq h GLU 130 Cb -0.00 -0.20 -0.03 0.00 0.63 0.00 0.00 28.75 29.16 1nkq h GLU 130 CO -0.07 0.60 0.29 0.00 -0.73 0.00 0.00 179.01 179.11 1nkq h ALA 131 N 1.23 0.69 0.01 2.92 0.00 -1.03 -1.40 119.26 121.68 1nkq h ALA 131 Ca 0.24 -0.09 0.03 0.00 0.00 0.00 0.00 54.91 55.08 1nkq h ALA 131 Cb -0.08 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 17.46 1nkq h ALA 131 CO -0.05 0.21 -0.18 0.87 0.00 0.00 0.00 179.25 180.10 1nkq h LYS 132 N 0.72 -0.28 -0.44 0.00 1.57 -0.75 0.39 116.57 117.78 1nkq h LYS 132 Ca 0.19 0.02 0.04 0.00 -1.87 0.00 0.00 60.65 59.03 1nkq h LYS 132 Cb 0.05 0.06 -0.04 0.00 0.08 0.00 0.00 32.23 32.38 1nkq h LYS 132 CO -0.03 -0.19 0.20 0.87 -0.57 0.00 0.00 179.45 179.73 1nkq h LYS 133 N -0.29 0.40 -0.00 3.15 1.57 -1.09 -1.76 116.57 118.55 1nkq h LYS 133 Ca 0.05 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.81 1nkq h LYS 133 Cb 0.36 -0.09 0.00 0.00 0.08 0.00 0.00 32.23 32.58 1nkq h LYS 133 CO -0.16 0.26 -0.01 1.63 -0.57 0.00 0.00 179.45 180.60 1nkq n LYS 134 N -4.93 0.77 -3.18 3.15 5.02 -0.55 -4.91 118.16 113.53 1nkq n LYS 134 Ca 0.03 -0.06 -0.20 0.00 -2.02 0.00 0.00 58.31 56.06 1nkq n LYS 134 Cb 0.13 -1.50 0.05 0.00 -0.02 0.00 0.00 35.03 33.69 1nkq n LYS 134 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1nkq n GLY 135 N 1.15 -0.35 3.82 0.72 0.00 0.11 -5.01 105.19 105.62 1nkq n GLY 135 Ca 0.19 0.07 -0.22 0.00 0.00 0.00 0.00 46.02 46.06 1nkq n GLY 135 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1nkq s LEU 136 N -6.15 3.48 0.60 0.99 1.43 0.50 -5.01 118.68 114.53 1nkq s LEU 136 Ca 0.39 -0.60 -0.19 0.00 -1.03 0.00 0.00 54.13 52.69 1nkq s LEU 136 Cb -0.17 -2.07 -0.04 0.00 0.03 0.00 0.00 46.19 43.94 1nkq s LEU 136 CO 0.48 -0.38 1.09 -0.81 0.23 0.00 0.00 176.35 176.96 1nkq n PRO 137 N -1.34 1.06 0.00 1.29 -0.04 -1.26 -4.53 135.00 130.18 1nkq n PRO 137 Ca -0.01 0.41 0.12 0.00 -0.04 0.00 0.00 63.50 63.98 1nkq n PRO 137 Cb 0.60 -2.30 0.30 0.00 -0.04 0.00 0.00 33.50 32.07 1nkq n PRO 137 CO 0.00 0.00 0.00 0.91 -0.04 0.00 0.00 175.50 176.37 1nkq n TRP 138 N -1.65 0.00 -0.36 0.54 7.02 -1.26 -4.62 117.44 117.11 1nkq n TRP 138 Ca 0.14 0.00 -0.09 0.00 -1.02 0.00 0.00 57.50 56.53 1nkq n TRP 138 Cb 0.47 -0.21 -0.08 0.00 -2.42 0.00 0.00 31.31 29.07 1nkq n TRP 138 CO 0.00 0.00 0.00 2.41 -2.02 0.00 0.00 177.69 178.08 1nkq n THR 139 N -1.20 -0.59 -0.04 -0.99 -1.04 -1.26 -1.47 114.28 107.70 1nkq n THR 139 Ca 0.08 2.11 -0.10 0.00 -2.04 0.00 0.00 64.05 64.10 1nkq n THR 139 Cb 0.34 -2.62 -0.04 0.00 -1.82 0.00 0.00 70.33 66.19 1nkq n THR 139 CO 0.00 0.00 0.00 0.40 -0.64 0.00 0.00 175.07 174.83 1nkq h ILE 140 N 0.00 1.05 0.00 12.58 5.03 -1.95 0.54 117.51 134.76 1nkq h ILE 140 Ca 0.15 -0.09 0.00 0.00 -0.12 0.00 0.00 64.86 64.80 1nkq h ILE 140 Cb 0.37 0.78 0.00 0.00 -3.03 0.00 0.00 36.82 34.94 1nkq h ILE 140 CO -0.82 0.05 0.00 0.77 -0.68 0.00 0.00 178.15 177.46 1nkq h SER 141 N 0.25 0.00 -0.00 1.72 4.64 -1.57 -2.22 113.55 116.36 1nkq h SER 141 Ca 0.07 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.39 1nkq h SER 141 Cb -0.03 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.06 1nkq h SER 141 CO -0.01 0.00 -0.14 0.29 -0.87 0.00 0.00 176.83 176.10 1nkq n LYS 142 N -2.38 4.11 -0.04 4.77 4.76 -0.59 -0.62 118.16 128.17 1nkq n LYS 142 Ca -0.01 -0.20 0.05 0.00 -2.87 0.00 0.00 58.31 55.28 1nkq n LYS 142 Cb 0.10 -0.79 0.06 0.00 -1.84 0.00 0.00 35.03 32.56 1nkq n LYS 142 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1nkq n GLY 143 N 0.87 0.38 3.55 0.72 0.00 0.18 -4.77 105.19 106.13 1nkq n GLY 143 Ca 0.01 -0.28 -0.41 0.00 0.00 0.00 0.00 46.02 45.34 1nkq n GLY 143 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1nkq n PHE 144 N 0.48 0.52 -1.48 1.61 3.01 -1.17 -4.58 117.46 115.85 1nkq n PHE 144 Ca 0.07 0.56 -0.39 0.00 1.01 0.00 0.00 57.45 58.69 1nkq n PHE 144 Cb 0.28 -2.13 0.03 0.00 -0.01 0.00 0.00 39.48 37.65 1nkq n PHE 144 CO 0.00 0.00 0.00 -0.25 1.01 0.00 0.00 176.76 177.52 1nkq n ASP 145 N 0.62 -0.72 0.00 4.37 8.00 -1.26 -1.14 116.55 126.41 1nkq n ASP 145 Ca 0.11 0.82 0.00 0.00 0.71 0.00 0.00 54.79 56.43 1nkq n ASP 145 Cb 0.40 -1.18 0.00 0.00 -0.02 0.00 0.00 41.12 40.33 1nkq n ASP 145 CO 0.00 0.00 0.00 0.35 -0.39 0.00 0.00 177.20 177.16 1nkq n THR 146 N -1.33 0.00 -1.06 -3.53 -2.24 -1.07 -4.58 114.28 100.46 1nkq n THR 146 Ca 0.11 0.00 -0.28 0.00 -2.27 0.00 0.00 64.05 61.61 1nkq n THR 146 Cb 0.44 -0.55 -0.05 0.00 -2.10 0.00 0.00 70.33 68.07 1nkq n THR 146 CO 0.00 0.00 0.00 0.49 -0.57 0.00 0.00 175.07 174.99 1nkq n PHE 147 N -2.14 1.58 -3.64 4.78 3.01 -0.29 -4.75 117.46 116.00 1nkq n PHE 147 Ca 0.00 -2.39 -0.09 0.00 1.01 0.00 0.00 57.45 55.99 1nkq n PHE 147 Cb 0.19 -2.04 -0.07 0.00 -0.01 0.00 0.00 39.48 37.55 1nkq n PHE 147 CO 0.00 0.00 0.00 -2.14 1.01 0.00 0.00 176.76 175.63 1nkq s PRO 149 N 2.25 0.55 -0.04 -1.08 0.02 -1.22 -2.20 135.00 133.29 1nkq s PRO 149 Ca 0.60 0.70 -0.14 0.00 0.02 0.00 0.00 61.00 62.18 1nkq s PRO 149 Cb 0.18 0.24 0.03 0.00 0.02 0.00 0.00 34.50 34.97 1nkq s PRO 149 CO -0.04 -0.07 0.32 -1.50 -0.33 0.00 0.00 177.00 175.38 1nkq s ILE 150 N 0.49 0.05 0.93 2.83 2.07 -0.59 -0.89 121.20 126.09 1nkq s ILE 150 Ca 0.00 -0.37 -0.14 0.00 -1.41 0.00 0.00 60.65 58.73 1nkq s ILE 150 Cb -0.05 -0.59 0.21 0.00 0.13 0.00 0.00 42.46 42.16 1nkq s ILE 150 CO -0.07 -0.20 1.27 -1.54 -1.91 0.00 0.00 174.94 172.48 1nkq n SER 151 N 1.60 0.32 -4.82 4.50 3.41 -0.33 -4.46 113.62 113.85 1nkq n SER 151 Ca -0.20 -1.60 -0.29 0.00 -0.26 0.00 0.00 58.87 56.52 1nkq n SER 151 Cb 0.56 -0.95 0.10 0.00 -0.26 0.00 0.00 64.21 63.67 1nkq n SER 151 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1nkq s ALA 152 N -3.83 2.16 0.34 7.33 0.00 -1.26 -4.77 121.76 121.73 1nkq s ALA 152 Ca 0.73 -0.40 -0.23 0.00 0.00 0.00 0.00 51.96 52.06 1nkq s ALA 152 Cb -0.02 -3.05 -0.10 0.00 0.00 0.00 0.00 23.12 19.95 1nkq s ALA 152 CO 0.51 -1.90 0.91 -1.50 0.00 0.00 0.00 175.76 173.78 1nkq s ILE 153 N -3.28 4.34 -0.41 0.00 2.07 -0.46 -4.60 121.20 118.85 1nkq s ILE 153 Ca 0.62 1.60 -0.07 0.00 -1.41 0.00 0.00 60.65 61.39 1nkq s ILE 153 Cb -0.14 -3.84 0.09 0.00 0.13 0.00 0.00 42.46 38.70 1nkq s ILE 153 CO 0.53 -0.01 0.23 -0.69 -1.91 0.00 0.00 174.94 173.09 1nkq s VAL 154 N -1.80 3.92 0.58 4.00 1.01 0.13 -4.67 120.40 123.58 1nkq s VAL 154 Ca 0.53 -1.57 -0.20 0.00 0.00 0.00 0.00 61.98 60.74 1nkq s VAL 154 Cb -0.15 -3.46 -0.03 0.00 0.00 0.00 0.00 36.38 32.73 1nkq s VAL 154 CO 0.20 -0.53 1.32 -0.44 0.00 0.00 0.00 175.10 175.64 1nkq s SER 155 N 2.04 5.05 0.59 3.32 0.01 -1.26 -1.15 113.70 122.30 1nkq s SER 155 Ca 0.04 2.67 0.34 0.00 1.31 0.00 0.00 55.95 60.31 1nkq s SER 155 Cb -0.23 -2.63 1.87 0.00 0.21 0.00 0.00 66.02 65.25 1nkq s SER 155 CO 0.00 -1.71 2.23 0.08 0.41 0.00 0.00 173.24 174.25 1nkq h ARG 156 N 1.11 0.00 -0.80 12.44 0.11 -1.62 -2.10 114.38 123.52 1nkq h ARG 156 Ca -0.51 0.00 0.10 0.00 0.10 0.00 0.00 59.98 59.67 1nkq h ARG 156 Cb 1.31 0.00 -0.06 0.00 1.11 0.00 0.00 29.97 32.34 1nkq h ARG 156 CO 0.56 0.03 0.52 1.05 0.10 0.00 0.00 179.97 182.23 1nkq h GLU 157 N 0.00 0.70 -1.06 0.08 9.09 -1.91 0.44 114.58 121.92 1nkq h GLU 157 Ca -0.00 -0.04 0.28 0.00 0.05 0.00 0.00 59.36 59.65 1nkq h GLU 157 Cb 0.12 -0.16 -0.09 0.00 -1.65 0.00 0.00 28.75 26.97 1nkq h GLU 157 CO 0.00 0.46 0.69 -0.22 0.05 0.00 0.00 179.01 179.99 1nkq h LYS 158 N 0.72 0.34 0.00 1.06 1.63 -1.74 -1.01 116.57 117.57 1nkq h LYS 158 Ca 0.37 -0.02 -0.00 0.00 -0.85 0.00 0.00 60.65 60.15 1nkq h LYS 158 Cb 0.48 -0.08 -0.01 0.00 -0.60 0.00 0.00 32.23 32.02 1nkq h LYS 158 CO -0.15 0.23 -0.16 1.97 -3.45 0.00 0.00 179.45 177.89 1nkq n PHE 159 N -4.62 0.00 -0.25 1.91 1.16 -0.05 -4.76 117.46 110.86 1nkq n PHE 159 Ca 0.26 -1.02 0.27 0.00 -1.87 0.00 0.00 57.45 55.09 1nkq n PHE 159 Cb 0.93 -0.16 0.65 0.00 -1.61 0.00 0.00 39.48 39.29 1nkq n PHE 159 CO 0.00 0.00 0.00 0.66 -1.87 0.00 0.00 176.76 175.55 1nkq h SER 160 N 0.22 0.16 0.14 5.98 4.64 0.40 -0.28 113.55 124.81 1nkq h SER 160 Ca -0.00 0.02 0.00 0.00 -0.47 0.00 0.00 61.79 61.34 1nkq h SER 160 Cb 1.05 -0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.13 1nkq h SER 160 CO 0.00 0.05 0.00 -1.28 -0.87 0.00 0.00 176.83 174.73 1nkq h SER 161 N 0.15 0.00 -0.06 4.97 0.87 -1.86 -2.20 113.55 115.42 1nkq h SER 161 Ca 0.49 0.00 -0.00 0.00 -1.23 0.00 0.00 61.79 61.05 1nkq h SER 161 Cb 1.68 0.00 -0.00 0.00 -0.44 0.00 0.00 62.40 63.64 1nkq h SER 161 CO -0.09 0.00 -0.03 -1.22 -0.53 0.00 0.00 176.83 174.96 1nkq n TYR 162 N -2.34 0.23 0.16 2.24 4.02 -0.12 -4.80 117.16 116.55 1nkq n TYR 162 Ca -0.01 -1.02 0.06 0.00 -0.01 0.00 0.00 57.90 56.93 1nkq n TYR 162 Cb 0.07 -0.20 0.33 0.00 -0.02 0.00 0.00 39.34 39.53 1nkq n TYR 162 CO 0.00 0.00 0.00 0.36 -1.01 0.00 0.00 176.86 176.21 1nkq n LYS 163 N -1.22 0.09 0.14 -0.72 2.85 -0.83 -0.79 118.16 117.67 1nkq n LYS 163 Ca 0.18 0.56 0.13 0.00 -1.05 0.00 0.00 58.31 58.13 1nkq n LYS 163 Cb 0.71 -2.10 0.31 0.00 -0.65 0.00 0.00 35.03 33.29 1nkq n LYS 163 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 177.40 178.01 1nkq h SER 164 N 0.00 0.00 -0.05 -5.58 4.64 -1.87 -3.41 113.55 107.29 1nkq h SER 164 Ca 0.00 -0.02 0.29 0.00 -0.47 0.00 0.00 61.79 61.60 1nkq h SER 164 Cb 0.66 0.00 -0.21 0.00 -0.31 0.00 0.00 62.40 62.54 1nkq h SER 164 CO 0.00 0.01 0.27 0.21 -0.87 0.00 0.00 176.83 176.45 1nkq s ASN 165 N -5.03 -0.07 0.00 4.97 3.84 0.03 -3.14 114.94 115.54 1nkq s ASN 165 Ca 0.09 0.04 0.24 0.00 0.21 0.00 0.00 52.86 53.44 1nkq s ASN 165 Cb 0.10 1.05 0.34 0.00 -0.55 0.00 0.00 41.25 42.20 1nkq s ASN 165 CO 0.63 -0.01 1.30 0.18 -2.79 0.00 0.00 177.10 176.42 1nkq n LEU 166 N 5.42 1.47 -0.34 3.21 4.77 -1.24 -4.58 117.00 125.72 1nkq n LEU 166 Ca -0.06 -0.50 0.19 0.00 -0.03 0.00 0.00 56.01 55.60 1nkq n LEU 166 Cb 0.55 -0.06 0.41 0.00 -2.33 0.00 0.00 43.42 41.99 1nkq n LEU 166 CO -0.17 0.28 1.18 -0.61 -1.33 0.00 0.00 177.39 176.74 1nkq h GLN 167 N 1.68 0.53 -0.47 3.23 5.75 -1.92 -2.88 115.11 121.02 1nkq h GLN 167 Ca 0.00 -0.03 0.00 0.00 -0.15 0.00 0.00 58.65 58.47 1nkq h GLN 167 Cb 0.62 -0.12 0.00 0.00 1.07 0.00 0.00 27.48 29.05 1nkq h GLN 167 CO 0.00 0.35 0.00 -0.25 -2.65 0.00 0.00 178.83 176.28 1nkq n ASP 168 N -4.80 3.28 0.03 -0.69 8.00 -1.26 -3.64 116.55 117.46 1nkq n ASP 168 Ca 0.26 -1.98 0.12 0.00 0.71 0.00 0.00 54.79 53.90 1nkq n ASP 168 Cb 0.77 -0.31 0.11 0.00 -0.02 0.00 0.00 41.12 41.66 1nkq n ASP 168 CO 0.00 0.00 0.00 2.30 -0.39 0.00 0.00 177.20 179.11 1nkq n ILE 169 N 0.95 0.21 -3.97 0.53 -5.35 -1.09 -4.70 119.36 105.94 1nkq n ILE 169 Ca 0.16 -0.21 -0.24 0.00 -0.27 0.00 0.00 62.75 62.19 1nkq n ILE 169 Cb 0.50 0.10 -0.03 0.00 -1.74 0.00 0.00 39.64 38.47 1nkq n ILE 169 CO 0.00 0.00 0.00 -0.36 -1.76 0.00 0.00 176.55 174.43 1nkq s PHE 170 N -3.15 3.43 -0.09 4.28 0.40 -1.26 -0.57 117.98 121.02 1nkq s PHE 170 Ca 0.06 0.04 -0.08 0.00 -0.60 0.00 0.00 56.93 56.35 1nkq s PHE 170 Cb 0.14 -1.60 0.02 0.00 0.51 0.00 0.00 43.02 42.10 1nkq s PHE 170 CO 0.76 0.48 0.23 0.50 0.70 0.00 0.00 175.22 177.89 1nkq s ARG 171 N -3.58 0.26 0.07 0.44 3.52 -0.77 -0.15 118.95 118.75 1nkq s ARG 171 Ca 0.34 0.33 0.09 0.00 -0.13 0.00 0.00 55.73 56.36 1nkq s ARG 171 Cb -0.10 0.11 -0.03 0.00 -1.56 0.00 0.00 34.95 33.37 1nkq s ARG 171 CO 0.28 -0.04 -0.24 0.14 -0.81 0.00 0.00 175.30 174.63 1nkq s VAL 172 N 0.19 1.94 -0.07 7.11 -7.23 0.09 -0.89 120.40 121.53 1nkq s VAL 172 Ca -0.01 -1.43 -0.10 0.00 -1.81 0.00 0.00 61.98 58.64 1nkq s VAL 172 Cb -0.02 -1.70 0.02 0.00 0.56 0.00 0.00 36.38 35.25 1nkq s VAL 172 CO -0.00 0.19 0.26 -1.59 -0.31 0.00 0.00 175.10 173.65 1nkq s LYS 173 N -1.49 0.40 -0.02 4.82 -2.85 -0.59 -1.17 119.74 118.84 1nkq s LYS 173 Ca 0.10 0.18 0.03 0.00 -1.00 0.00 0.00 55.97 55.27 1nkq s LYS 173 Cb -0.10 0.19 -0.00 0.00 -2.06 0.00 0.00 37.83 35.86 1nkq s LYS 173 CO 0.03 -0.07 -0.10 0.00 0.10 0.00 0.00 175.35 175.31 1nkq s SER 175 N 0.06 0.76 -0.07 0.00 1.04 0.10 -0.77 113.70 114.81 1nkq s SER 175 Ca -0.01 -0.25 0.04 0.00 0.48 0.00 0.00 55.95 56.22 1nkq s SER 175 Cb -0.07 -0.04 -0.00 0.00 0.10 0.00 0.00 66.02 66.01 1nkq s SER 175 CO 0.00 -0.01 -0.21 -0.69 0.98 0.00 0.00 173.24 173.31 1nkq s VAL 176 N -0.53 1.80 -1.57 5.02 1.01 -0.29 -0.70 120.40 125.14 1nkq s VAL 176 Ca -0.01 -0.89 -0.15 0.00 0.00 0.00 0.00 61.98 60.93 1nkq s VAL 176 Cb -0.05 -1.55 0.10 0.00 0.00 0.00 0.00 36.38 34.89 1nkq s VAL 176 CO 0.00 0.50 0.92 0.59 0.00 0.00 0.00 175.10 177.12 1nkq n ASN 177 N 3.35 -4.48 0.00 3.32 3.02 0.65 -1.56 115.26 119.56 1nkq n ASN 177 Ca -0.19 -0.82 0.00 0.00 -0.03 0.00 0.00 54.58 53.54 1nkq n ASN 177 Cb 0.53 -3.60 0.00 0.00 -0.61 0.00 0.00 39.78 36.10 1nkq n ASN 177 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1nkq n GLY 178 N -1.60 2.32 3.58 7.41 0.00 -1.26 -5.03 105.19 110.61 1nkq n GLY 178 Ca 0.05 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.72 1nkq n GLY 178 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1nkq s GLN 179 N -0.34 3.88 0.18 1.61 -0.21 -0.60 -5.07 119.66 119.10 1nkq s GLN 179 Ca 0.00 -0.39 -0.31 0.00 0.02 0.00 0.00 55.36 54.68 1nkq s GLN 179 Cb 0.00 -3.20 -0.10 0.00 1.00 0.00 0.00 33.01 30.71 1nkq s GLN 179 CO 0.00 0.18 1.49 -1.17 -2.12 0.00 0.00 175.29 173.67 1nkq s LEU 180 N 0.62 4.38 -0.02 2.90 2.96 -1.26 -1.13 118.68 127.12 1nkq s LEU 180 Ca 0.03 2.57 -0.00 0.00 -0.22 0.00 0.00 54.13 56.51 1nkq s LEU 180 Cb -0.13 -3.60 -0.01 0.00 0.50 0.00 0.00 46.19 42.94 1nkq s LEU 180 CO 0.02 -0.75 -0.02 0.54 -1.32 0.00 0.00 176.35 174.81 1nkq n ARG 181 N 3.48 0.05 -5.09 1.98 1.74 0.05 -4.92 116.66 113.95 1nkq n ARG 181 Ca 0.11 0.02 -0.29 0.00 -0.77 0.00 0.00 57.85 56.92 1nkq n ARG 181 Cb 0.40 -0.86 -0.15 0.00 -1.02 0.00 0.00 32.46 30.82 1nkq n ARG 181 CO 0.00 0.00 0.00 -0.65 -1.52 0.00 0.00 177.63 175.46 1nkq s GLN 182 N -2.05 1.87 -0.30 5.56 -0.21 -0.63 -4.57 119.66 119.34 1nkq s GLN 182 Ca -0.03 -0.91 -0.03 0.00 0.02 0.00 0.00 55.36 54.41 1nkq s GLN 182 Cb 0.01 -1.86 0.19 0.00 1.00 0.00 0.00 33.01 32.35 1nkq s GLN 182 CO 0.05 0.50 0.74 0.34 -2.12 0.00 0.00 175.29 174.80 1nkq s ASP 183 N -0.74 -1.15 -0.05 5.90 2.15 -1.25 -0.84 116.67 120.71 1nkq s ASP 183 Ca 0.09 0.57 -0.23 0.00 0.43 0.00 0.00 52.55 53.41 1nkq s ASP 183 Cb -0.09 1.90 0.05 0.00 -0.30 0.00 0.00 42.92 44.48 1nkq s ASP 183 CO -0.00 -0.21 0.52 -0.83 -0.17 0.00 0.00 175.17 174.48 1nkq s GLY 184 N 2.88 -0.39 0.31 2.66 0.00 -0.32 -4.97 107.32 107.49 1nkq s GLY 184 Ca 0.14 0.94 -0.11 0.00 0.00 0.00 0.00 44.72 45.70 1nkq s GLY 184 CO -0.20 0.66 0.66 -0.32 0.00 0.00 0.00 173.10 173.91 1nkq s GLY 185 N -1.11 2.17 0.00 0.20 0.00 -1.26 -0.73 107.32 106.59 1nkq s GLY 185 Ca -0.11 -0.19 0.11 0.00 0.00 0.00 0.00 44.72 44.54 1nkq s GLY 185 CO 0.07 -0.02 1.09 -1.30 0.00 0.00 0.00 173.10 172.94 1nkq n THR 186 N -0.58 0.00 1.13 0.90 -2.24 0.79 -1.21 114.28 113.06 1nkq n THR 186 Ca 0.02 0.00 0.14 0.00 -2.27 0.00 0.00 64.05 61.94 1nkq n THR 186 Cb 0.53 -0.75 0.61 0.00 -2.10 0.00 0.00 70.33 68.62 1nkq n THR 186 CO 0.00 0.00 0.00 -0.46 -0.57 0.00 0.00 175.07 174.04 1nkq n ASN 187 N -0.95 0.10 -4.39 3.42 6.94 -1.24 -4.65 115.26 114.50 1nkq n ASN 187 Ca 0.08 0.17 -0.45 0.00 -0.02 0.00 0.00 54.58 54.37 1nkq n ASN 187 Cb 0.04 -0.33 -0.03 0.00 -2.36 0.00 0.00 39.78 37.10 1nkq n ASN 187 CO 0.00 0.00 0.00 -0.76 -1.03 0.00 0.00 177.26 175.47 1nkq s LEU 188 N -2.86 5.56 0.00 -4.53 1.43 -0.35 -5.04 118.68 112.89 1nkq s LEU 188 Ca 0.18 -1.88 0.00 0.00 -1.03 0.00 0.00 54.13 51.40 1nkq s LEU 188 Cb 0.19 -2.31 0.00 0.00 0.03 0.00 0.00 46.19 44.10 1nkq s LEU 188 CO 0.53 -0.99 0.00 0.18 0.23 0.00 0.00 176.35 176.30 1nkq n LEU 190 N 5.92 1.08 -4.28 1.79 4.77 -0.03 -0.91 117.00 125.35 1nkq n LEU 190 Ca 0.06 0.00 -0.35 0.00 -0.03 0.00 0.00 56.01 55.69 1nkq n LEU 190 Cb 0.46 0.00 -0.14 0.00 -2.33 0.00 0.00 43.42 41.41 1nkq n LEU 190 CO 0.51 0.10 -0.37 -1.00 -1.33 0.00 0.00 177.39 175.29 1nkq s HIS 191 N -1.75 3.03 0.69 -1.77 3.76 -1.26 -5.08 115.29 112.90 1nkq s HIS 191 Ca 0.00 -1.16 -0.14 0.00 -0.15 0.00 0.00 55.06 53.61 1nkq s HIS 191 Cb 0.00 -2.12 0.01 0.00 1.11 0.00 0.00 32.58 31.59 1nkq s HIS 191 CO 0.00 -0.62 1.12 -1.25 -0.85 0.00 0.00 174.74 173.15 1nkq s PRO 192 N 1.43 2.62 0.26 8.40 0.04 -1.26 -4.75 135.00 141.74 1nkq s PRO 192 Ca 0.03 1.42 -0.05 0.00 0.04 0.00 0.00 61.00 62.45 1nkq s PRO 192 Cb -0.16 -1.92 0.52 0.00 0.04 0.00 0.00 34.50 32.98 1nkq s PRO 192 CO -0.03 -1.40 1.61 -0.07 0.04 0.00 0.00 177.00 177.16 1nkq h LEU 193 N -0.17 -0.43 -1.15 -3.56 4.07 -1.96 0.86 115.31 112.97 1nkq h LEU 193 Ca -0.46 0.23 -0.09 0.00 0.08 0.00 0.00 57.88 57.63 1nkq h LEU 193 Cb 1.25 0.40 -0.01 0.00 1.08 0.00 0.00 40.66 43.38 1nkq h LEU 193 CO 0.53 -0.24 -0.42 1.12 -1.08 0.00 0.00 178.44 178.35 1nkq h HIS 194 N 0.07 0.00 0.06 1.13 2.07 -1.91 -2.39 115.15 114.18 1nkq h HIS 194 Ca 0.47 0.00 -0.27 0.00 -2.85 0.00 0.00 60.37 57.72 1nkq h HIS 194 Cb 0.86 0.00 0.02 0.00 2.57 0.00 0.00 27.41 30.85 1nkq h HIS 194 CO -0.47 0.42 -1.10 0.87 -3.07 0.00 0.00 177.93 174.58 1nkq h LYS 195 N 0.00 0.53 0.41 5.12 1.57 -1.28 -2.31 116.57 120.61 1nkq h LYS 195 Ca -0.00 -0.64 -0.01 0.00 -1.87 0.00 0.00 60.65 58.12 1nkq h LYS 195 Cb 0.75 0.20 -0.02 0.00 0.08 0.00 0.00 32.23 33.25 1nkq h LYS 195 CO 0.06 1.26 -0.35 0.82 -0.57 0.00 0.00 179.45 180.67 1nkq h ILE 196 N 0.26 0.29 -0.28 1.86 2.04 -0.85 0.11 117.51 120.93 1nkq h ILE 196 Ca -0.13 0.00 0.05 0.00 1.00 0.00 0.00 64.86 65.78 1nkq h ILE 196 Cb 1.77 0.29 -0.05 0.00 -0.74 0.00 0.00 36.82 38.08 1nkq h ILE 196 CO 0.20 0.00 -0.04 -0.07 0.00 0.00 0.00 178.15 178.25 1nkq h LEU 197 N -0.76 -0.19 0.89 1.44 3.38 -1.51 -1.05 115.31 117.50 1nkq h LEU 197 Ca -0.04 0.07 -0.04 0.00 0.09 0.00 0.00 57.88 57.97 1nkq h LEU 197 Cb 0.67 0.14 0.01 0.00 0.09 0.00 0.00 40.66 41.57 1nkq h LEU 197 CO -0.02 -0.06 -0.43 -0.61 0.09 0.00 0.00 178.44 177.41 1nkq h GLN 198 N 0.04 -1.15 -0.42 1.13 -0.00 -1.21 -2.55 115.11 110.95 1nkq h GLN 198 Ca 0.14 0.08 0.07 0.00 -0.00 0.00 0.00 58.65 58.94 1nkq h GLN 198 Cb 0.20 0.26 -0.06 0.00 0.00 0.00 0.00 27.48 27.87 1nkq h GLN 198 CO -0.26 -0.77 0.03 1.25 0.00 0.00 0.00 178.83 179.09 1nkq h HIS 199 N -1.20 0.04 -0.51 3.99 2.76 -0.70 -2.51 115.15 117.02 1nkq h HIS 199 Ca -0.12 0.03 0.07 0.00 -2.20 0.00 0.00 60.37 58.15 1nkq h HIS 199 Cb 0.92 0.05 -0.06 0.00 1.55 0.00 0.00 27.41 29.87 1nkq h HIS 199 CO -0.01 -0.05 0.18 0.82 -1.30 0.00 0.00 177.93 177.57 1nkq h ILE 200 N 0.15 0.83 0.00 6.26 2.04 -1.17 -2.05 117.51 123.56 1nkq h ILE 200 Ca 0.21 -0.12 0.00 0.00 1.00 0.00 0.00 64.86 65.94 1nkq h ILE 200 Cb 0.28 0.44 0.00 0.00 -0.74 0.00 0.00 36.82 36.80 1nkq h ILE 200 CO -0.32 0.07 0.21 0.77 0.00 0.00 0.00 178.15 178.88 1nkq h SER 201 N 0.36 0.00 -0.17 1.72 4.64 -1.01 -1.15 113.55 117.94 1nkq h SER 201 Ca 0.24 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.56 1nkq h SER 201 Cb 0.26 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.35 1nkq h SER 201 CO -0.24 0.00 0.00 0.35 -0.87 0.00 0.00 176.83 176.07 1nkq n THR 202 N -2.69 0.52 -1.44 2.95 -2.24 -0.77 -0.20 114.28 110.41 1nkq n THR 202 Ca -0.02 -0.32 -0.46 0.00 -2.27 0.00 0.00 64.05 60.98 1nkq n THR 202 Cb 0.26 -0.20 -0.13 0.00 -2.10 0.00 0.00 70.33 68.16 1nkq n THR 202 CO 0.00 0.00 0.00 -0.38 -0.57 0.00 0.00 175.07 174.12 1nkq n ILE 204 N 0.12 0.00 -1.72 2.28 5.41 -0.44 -4.85 119.36 120.17 1nkq n ILE 204 Ca 0.07 -0.06 -0.37 0.00 1.00 0.00 0.00 62.75 63.39 1nkq n ILE 204 Cb 0.35 -0.68 0.07 0.00 -0.71 0.00 0.00 39.64 38.67 1nkq n ILE 204 CO 0.00 0.00 0.00 -1.20 0.00 0.00 0.00 176.55 175.35 1nkq n SER 205 N 10.01 2.02 -4.66 4.38 7.64 -1.26 -4.91 113.62 126.85 1nkq n SER 205 Ca 0.60 0.83 -0.28 0.00 1.01 0.00 0.00 58.87 61.03 1nkq n SER 205 Cb 0.05 -1.55 -0.08 0.00 -1.01 0.00 0.00 64.21 61.62 1nkq n SER 205 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 1nkq s LEU 206 N -4.26 3.32 0.06 -3.43 1.43 -0.06 -4.98 118.68 110.77 1nkq s LEU 206 Ca 0.83 -0.31 0.02 0.00 -1.03 0.00 0.00 54.13 53.64 1nkq s LEU 206 Cb -0.38 -2.03 -0.03 0.00 0.03 0.00 0.00 46.19 43.77 1nkq s LEU 206 CO 0.40 0.14 -0.07 -1.83 0.23 0.00 0.00 176.35 175.22 1nkq s GLU 207 N -2.57 0.64 0.10 1.70 -1.05 -1.26 -1.36 118.70 114.90 1nkq s GLU 207 Ca 0.26 -1.00 -0.35 0.00 -0.15 0.00 0.00 54.97 53.72 1nkq s GLU 207 Cb -0.11 -0.20 -0.18 0.00 -0.44 0.00 0.00 34.13 33.21 1nkq s GLU 207 CO 0.18 0.01 1.02 -2.30 0.95 0.00 0.00 175.26 175.12 1nkq n PRO 208 N 0.79 0.46 0.00 -4.83 -0.02 -1.24 -1.60 135.00 128.57 1nkq n PRO 208 Ca -0.18 0.16 0.00 0.00 -2.02 0.00 0.00 63.50 61.46 1nkq n PRO 208 Cb 0.57 -1.59 0.00 0.00 -0.02 0.00 0.00 33.50 32.47 1nkq n PRO 208 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1nkq n GLY 209 N 1.86 2.68 3.77 -1.23 0.00 0.32 -4.80 105.19 107.78 1nkq n GLY 209 Ca 0.18 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.80 1nkq n GLY 209 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1nkq s ASP 210 N -1.31 6.29 -0.19 1.61 1.01 -0.62 -3.63 116.67 119.82 1nkq s ASP 210 Ca 0.00 2.77 -0.05 0.00 0.71 0.00 0.00 52.55 55.98 1nkq s ASP 210 Cb 0.00 -2.65 -0.02 0.00 1.01 0.00 0.00 42.92 41.26 1nkq s ASP 210 CO 0.00 -0.88 -0.01 -0.63 0.21 0.00 0.00 175.17 173.86 1nkq s ILE 211 N -1.21 3.92 -0.21 0.77 1.01 -0.90 -1.07 121.20 123.51 1nkq s ILE 211 Ca 0.56 -0.33 -0.01 0.00 0.00 0.00 0.00 60.65 60.87 1nkq s ILE 211 Cb -0.41 -2.76 0.01 0.00 0.01 0.00 0.00 42.46 39.31 1nkq s ILE 211 CO 0.53 0.44 -0.11 -0.63 0.00 0.00 0.00 174.94 175.16 1nkq s ILE 212 N 0.91 2.73 -0.01 2.92 1.09 -0.46 -1.77 121.20 126.61 1nkq s ILE 212 Ca 0.01 -0.76 -0.24 0.00 -1.10 0.00 0.00 60.65 58.56 1nkq s ILE 212 Cb -0.14 -2.23 -0.05 0.00 -1.06 0.00 0.00 42.46 38.98 1nkq s ILE 212 CO 0.02 0.44 0.72 -0.76 -0.10 0.00 0.00 174.94 175.26 1nkq s LEU 213 N 1.37 4.38 -0.10 2.97 1.43 -0.19 -1.01 118.68 127.54 1nkq s LEU 213 Ca 0.05 1.30 0.17 0.00 -1.03 0.00 0.00 54.13 54.62 1nkq s LEU 213 Cb -0.14 -3.13 0.62 0.00 0.03 0.00 0.00 46.19 43.57 1nkq s LEU 213 CO -0.08 -0.04 1.54 0.35 0.23 0.00 0.00 176.35 178.35 1nkq n THR 214 N 3.26 1.75 0.00 5.49 -2.24 -0.62 -2.61 114.28 119.31 1nkq n THR 214 Ca -0.02 -1.27 0.00 0.00 -2.27 0.00 0.00 64.05 60.49 1nkq n THR 214 Cb 0.51 0.14 0.00 0.00 -2.10 0.00 0.00 70.33 68.88 1nkq n THR 214 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1nkq n GLY 215 N 0.79 2.52 3.30 3.38 0.00 -1.25 -4.83 105.19 109.11 1nkq n GLY 215 Ca 0.23 -1.96 -0.24 0.00 0.00 0.00 0.00 46.02 44.05 1nkq n GLY 215 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1nkq s THR 216 N -2.83 1.77 0.82 2.61 -1.32 -1.26 -4.19 115.64 111.24 1nkq s THR 216 Ca 0.00 -1.58 -0.12 0.00 -1.21 0.00 0.00 61.69 58.78 1nkq s THR 216 Cb 0.00 -1.61 0.09 0.00 -1.51 0.00 0.00 72.50 69.47 1nkq s THR 216 CO 0.00 -0.05 1.17 -2.84 -2.21 0.00 0.00 174.62 170.68 1nkq s PRO 217 N -1.95 1.86 1.09 7.08 0.02 -1.26 -4.34 135.00 137.51 1nkq s PRO 217 Ca 0.07 0.17 -0.12 0.00 0.02 0.00 0.00 61.00 61.14 1nkq s PRO 217 Cb -0.10 -1.93 0.24 0.00 0.02 0.00 0.00 34.50 32.73 1nkq s PRO 217 CO 0.04 -1.68 1.06 0.00 -0.33 0.00 0.00 177.00 176.09 1nkq s ALA 218 N -3.51 0.08 0.00 -1.55 0.00 -1.26 -4.48 121.76 111.04 1nkq s ALA 218 Ca 0.62 -0.00 0.00 0.00 0.00 0.00 0.00 51.96 52.58 1nkq s ALA 218 Cb -0.12 -3.27 0.00 0.00 0.00 0.00 0.00 23.12 19.73 1nkq s ALA 218 CO 0.50 -3.50 0.00 0.41 0.00 0.00 0.00 175.76 173.17 1nkq n GLY 219 N 0.46 1.15 3.66 0.00 0.00 -1.26 -4.47 105.19 104.73 1nkq n GLY 219 Ca 0.05 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.68 1nkq n GLY 219 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1nkq n VAL 220 N -1.73 3.36 -3.97 1.61 0.31 -1.26 -4.35 118.33 112.29 1nkq n VAL 220 Ca 0.00 -0.50 -0.10 0.00 -0.01 0.00 0.00 64.34 63.73 1nkq n VAL 220 Cb 0.00 -1.36 -0.03 0.00 -0.91 0.00 0.00 33.84 31.54 1nkq n VAL 220 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1nkq n GLY 221 N 1.04 2.74 3.86 2.92 0.00 -1.26 -5.00 105.19 109.49 1nkq n GLY 221 Ca 0.11 -1.62 -0.27 0.00 0.00 0.00 0.00 46.02 44.24 1nkq n GLY 221 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1nkq s GLU 222 N -2.62 3.13 -0.07 1.61 2.12 -1.26 -1.71 118.70 119.91 1nkq s GLU 222 Ca 0.21 -0.70 0.03 0.00 0.36 0.00 0.00 54.97 54.86 1nkq s GLU 222 Cb -0.00 -2.81 0.01 0.00 0.26 0.00 0.00 34.13 31.59 1nkq s GLU 222 CO 0.15 0.52 -0.15 -0.51 -0.54 0.00 0.00 175.26 174.73 1nkq s LEU 223 N -2.96 1.79 0.17 2.70 1.43 -0.25 -4.88 118.68 116.68 1nkq s LEU 223 Ca 0.32 -0.36 0.06 0.00 -1.03 0.00 0.00 54.13 53.13 1nkq s LEU 223 Cb -0.11 -0.96 -0.04 0.00 0.03 0.00 0.00 46.19 45.11 1nkq s LEU 223 CO 0.25 0.08 -0.13 -0.54 0.23 0.00 0.00 176.35 176.25 1nkq s LYS 224 N 0.46 1.19 0.24 1.70 1.02 -1.26 -4.22 119.74 118.86 1nkq s LYS 224 Ca -0.13 -1.49 -0.30 0.00 0.02 0.00 0.00 55.97 54.07 1nkq s LYS 224 Cb -0.15 -0.91 -0.14 0.00 -0.52 0.00 0.00 37.83 36.11 1nkq s LYS 224 CO 0.04 0.14 1.17 -2.30 -0.92 0.00 0.00 175.35 173.49 1nkq n PRO 225 N -0.18 1.47 -0.06 -1.68 -0.02 -1.26 -1.41 135.00 131.85 1nkq n PRO 225 Ca -0.10 0.52 0.00 0.00 -2.02 0.00 0.00 63.50 61.90 1nkq n PRO 225 Cb 0.60 -2.01 0.00 0.00 -0.02 0.00 0.00 33.50 32.07 1nkq n PRO 225 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1nkq n GLY 226 N 1.70 0.66 3.82 -1.23 0.00 0.52 -4.92 105.19 105.74 1nkq n GLY 226 Ca 0.12 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.81 1nkq n GLY 226 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1nkq s ASP 227 N -2.61 6.80 -0.20 1.61 1.01 -0.50 -4.82 116.67 117.96 1nkq s ASP 227 Ca 0.00 1.73 -0.03 0.00 0.71 0.00 0.00 52.55 54.96 1nkq s ASP 227 Cb 0.00 -2.54 -0.01 0.00 1.01 0.00 0.00 42.92 41.38 1nkq s ASP 227 CO 0.00 -0.46 -0.08 0.00 0.21 0.00 0.00 175.17 174.85 1nkq s ARG 228 N -3.25 3.34 -0.17 8.23 1.70 -1.26 -1.63 118.95 125.91 1nkq s ARG 228 Ca 0.63 -0.66 -0.04 0.00 -0.47 0.00 0.00 55.73 55.19 1nkq s ARG 228 Cb -0.10 -2.89 -0.03 0.00 -0.57 0.00 0.00 34.95 31.36 1nkq s ARG 228 CO 0.16 -0.12 -0.02 0.08 -1.08 0.00 0.00 175.30 174.31 1nkq s VAL 229 N 1.25 3.94 -0.15 4.99 1.01 -0.07 -0.26 120.40 131.12 1nkq s VAL 229 Ca 0.03 -0.33 0.00 0.00 0.00 0.00 0.00 61.98 61.68 1nkq s VAL 229 Cb -0.14 -2.75 0.02 0.00 0.00 0.00 0.00 36.38 33.51 1nkq s VAL 229 CO -0.03 0.47 -0.14 -2.28 0.00 0.00 0.00 175.10 173.13 1nkq s HIS 230 N 0.54 2.12 0.15 5.22 5.04 0.12 -0.28 115.29 128.19 1nkq s HIS 230 Ca -0.02 -1.18 0.06 0.00 -1.54 0.00 0.00 55.06 52.37 1nkq s HIS 230 Cb -0.14 -1.57 -0.04 0.00 0.04 0.00 0.00 32.58 30.87 1nkq s HIS 230 CO 0.02 -0.66 -0.13 0.00 -2.34 0.00 0.00 174.74 171.64 1nkq s GLU 232 N -3.32 1.18 -0.07 0.00 -1.05 -0.16 -4.42 118.70 110.85 1nkq s GLU 232 Ca 0.15 -0.50 0.03 0.00 -0.15 0.00 0.00 54.97 54.49 1nkq s GLU 232 Cb -0.01 0.54 0.01 0.00 -0.44 0.00 0.00 34.13 34.22 1nkq s GLU 232 CO 0.03 -0.49 -0.16 -1.17 0.95 0.00 0.00 175.26 174.42 1nkq s LEU 233 N -2.64 1.80 0.11 1.83 0.20 -0.79 -1.54 118.68 117.65 1nkq s LEU 233 Ca 0.01 -0.38 0.07 0.00 0.69 0.00 0.00 54.13 54.52 1nkq s LEU 233 Cb 0.00 -1.01 -0.04 0.00 -0.43 0.00 0.00 46.19 44.71 1nkq s LEU 233 CO -0.11 0.08 -0.11 -0.76 -0.29 0.00 0.00 176.35 175.17 1nkq s LEU 234 N 0.51 3.01 -0.20 -0.68 1.02 -0.07 -1.41 118.68 120.87 1nkq s LEU 234 Ca -0.15 -0.42 0.01 0.00 0.02 0.00 0.00 54.13 53.59 1nkq s LEU 234 Cb -0.16 -1.80 0.04 0.00 0.02 0.00 0.00 46.19 44.29 1nkq s LEU 234 CO 0.05 0.17 -0.12 -1.58 0.02 0.00 0.00 176.35 174.89 1nkq s GLN 235 N -2.27 2.18 -1.46 1.70 0.74 0.16 -1.84 119.66 118.87 1nkq s GLN 235 Ca 0.21 -0.86 -0.08 0.00 0.05 0.00 0.00 55.36 54.69 1nkq s GLN 235 Cb -0.11 -2.44 0.02 0.00 1.10 0.00 0.00 33.01 31.58 1nkq s GLN 235 CO 0.14 -0.40 0.86 -1.71 -0.55 0.00 0.00 175.29 173.63 1nkq n ASN 236 N 4.66 -5.89 -1.07 6.67 5.15 0.26 -1.28 115.26 123.77 1nkq n ASN 236 Ca -0.15 -0.45 -0.12 0.00 -0.60 0.00 0.00 54.58 53.25 1nkq n ASN 236 Cb 0.47 -4.71 -0.04 0.00 -0.53 0.00 0.00 39.78 34.97 1nkq n ASN 236 CO 0.00 0.00 0.00 0.59 1.40 0.00 0.00 177.26 179.25 1nkq n ASN 237 N -2.73 -4.31 -4.31 1.20 3.02 -1.26 -5.01 115.26 101.86 1nkq n ASN 237 Ca -0.04 0.22 -0.32 0.00 -0.03 0.00 0.00 54.58 54.40 1nkq n ASN 237 Cb 0.58 -3.07 -0.16 0.00 -0.61 0.00 0.00 39.78 36.53 1nkq n ASN 237 CO 0.00 0.00 0.00 -1.81 -2.62 0.00 0.00 177.26 172.83 1nkq s ASP 238 N -2.75 3.41 -0.09 6.41 1.01 -0.40 -5.04 116.67 119.21 1nkq s ASP 238 Ca 0.00 -0.44 -0.30 0.00 0.71 0.00 0.00 52.55 52.52 1nkq s ASP 238 Cb 0.00 -1.15 -0.04 0.00 1.01 0.00 0.00 42.92 42.74 1nkq s ASP 238 CO 0.00 0.22 1.54 0.21 0.21 0.00 0.00 175.17 177.35 1nkq s ASN 239 N -0.00 6.73 -0.01 0.27 3.84 -1.26 0.39 114.94 124.90 1nkq s ASN 239 Ca -0.07 2.05 0.10 0.00 0.21 0.00 0.00 52.86 55.15 1nkq s ASN 239 Cb -0.15 -2.53 -0.12 0.00 -0.55 0.00 0.00 41.25 37.89 1nkq s ASN 239 CO 0.05 -0.90 0.32 2.30 -2.79 0.00 0.00 177.10 176.08 1nkq n ILE 240 N 5.50 0.00 -3.72 -5.21 -5.35 -0.50 -4.93 119.36 105.16 1nkq n ILE 240 Ca 0.16 -0.25 -0.12 0.00 -0.27 0.00 0.00 62.75 62.27 1nkq n ILE 240 Cb 0.43 0.68 -0.10 0.00 -1.74 0.00 0.00 39.64 38.91 1nkq n ILE 240 CO 0.00 0.00 0.00 0.54 -1.76 0.00 0.00 176.55 175.33 1nkq s VAL 241 N -2.23 -0.01 0.02 7.28 0.11 -1.15 -5.01 120.40 119.40 1nkq s VAL 241 Ca 0.00 0.04 -0.02 0.00 -2.93 0.00 0.00 61.98 59.08 1nkq s VAL 241 Cb 0.07 -0.59 -0.02 0.00 -1.53 0.00 0.00 36.38 34.31 1nkq s VAL 241 CO 0.39 0.02 0.01 -0.62 -3.33 0.00 0.00 175.10 171.57 1nkq s ASP 242 N 0.77 0.21 -0.23 3.54 -1.08 -1.26 -1.88 116.67 116.74 1nkq s ASP 242 Ca -0.04 -0.47 -0.28 0.00 -0.52 0.00 0.00 52.55 51.24 1nkq s ASP 242 Cb -0.05 0.13 0.14 0.00 -1.46 0.00 0.00 42.92 41.68 1nkq s ASP 242 CO -0.06 -0.34 1.12 0.20 0.52 0.00 0.00 175.17 176.61 1nkq s ASN 244 N -1.54 -0.30 0.05 -0.34 0.01 -1.26 -5.02 114.94 106.54 1nkq s ASN 244 Ca -0.14 0.43 0.01 0.00 -0.71 0.00 0.00 52.86 52.45 1nkq s ASN 244 Cb -0.08 0.39 -0.03 0.00 0.41 0.00 0.00 41.25 41.94 1nkq s ASN 244 CO -0.01 -0.20 -0.06 -0.36 -1.51 0.00 0.00 177.10 174.96 1nkq s PHE 245 N -0.60 0.59 -0.04 2.20 0.40 0.61 -4.58 117.98 116.55 1nkq s PHE 245 Ca 0.02 -0.65 0.03 0.00 -0.60 0.00 0.00 56.93 55.73 1nkq s PHE 245 Cb -0.02 -0.37 -0.03 0.00 0.51 0.00 0.00 43.02 43.11 1nkq s PHE 245 CO -0.04 -0.16 -0.12 -1.21 0.70 0.00 0.00 175.22 174.39 1nkq s GLU 246 N -2.24 2.55 -0.12 0.44 2.02 -1.26 -0.89 118.70 119.19 1nkq s GLU 246 Ca -0.06 -0.67 -0.06 0.00 0.02 0.00 0.00 54.97 54.20 1nkq s GLU 246 Cb -0.05 -2.44 -0.04 0.00 0.10 0.00 0.00 34.13 31.70 1nkq s GLU 246 CO -0.02 0.63 0.11 0.00 0.02 0.00 0.00 175.26 176.00 1nkq s GLU 248 N -0.84 1.44 0.04 0.00 2.02 0.20 -0.35 118.70 121.21 1nkq s GLU 248 Ca 0.14 -1.76 -0.27 0.00 0.02 0.00 0.00 54.97 53.09 1nkq s GLU 248 Cb -0.12 0.30 -0.05 0.00 0.10 0.00 0.00 34.13 34.37 1nkq s GLU 248 CO 0.03 -0.51 0.87 -0.80 0.02 0.00 0.00 175.26 174.87 1nkq s ASN 249 N -3.23 7.31 0.12 -0.19 0.01 -1.26 -0.40 114.94 117.29 1nkq s ASN 249 Ca 0.39 1.57 -0.31 0.00 -0.71 0.00 0.00 52.86 53.80 1nkq s ASN 249 Cb 0.05 -2.52 -0.09 0.00 0.41 0.00 0.00 41.25 39.10 1nkq s ASN 249 CO 0.18 -0.09 1.47 -0.60 -1.51 0.00 0.00 177.10 176.55 1nkq s ARG 250 N 0.33 4.27 -1.18 -0.60 3.52 -0.33 -4.72 118.95 120.24 1nkq s ARG 250 Ca 0.44 2.19 -0.10 0.00 -0.13 0.00 0.00 55.73 58.13 1nkq s ARG 250 Cb -0.21 -3.27 0.22 0.00 -1.56 0.00 0.00 34.95 30.14 1nkq s ARG 250 CO 0.26 -0.53 1.40 -0.35 -0.81 0.00 0.00 175.30 175.27 1nkq n PRO 251 N 4.19 3.61 -1.66 5.12 -0.04 -1.26 -4.73 135.00 140.21 1nkq n PRO 251 Ca 0.13 -4.09 -0.02 0.00 -0.04 0.00 0.00 63.50 59.47 1nkq n PRO 251 Cb 0.41 -2.80 0.01 0.00 -0.04 0.00 0.00 33.50 31.08 1nkq n PRO 251 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1nkq n GLY 252 N 3.08 1.75 0.02 0.55 0.00 -1.26 -4.77 105.19 104.56 1nkq n GLY 252 Ca 0.32 -1.07 0.14 0.00 0.00 0.00 0.00 46.02 45.41 1nkq n GLY 252 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1nkq n PRO 253 N -0.13 0.04 -1.85 1.61 -0.04 -1.26 -4.91 135.00 128.47 1nkq n PRO 253 Ca -0.02 0.03 -0.38 0.00 -0.04 0.00 0.00 63.50 63.09 1nkq n PRO 253 Cb 0.14 -1.55 0.04 0.00 -0.04 0.00 0.00 33.50 32.09 1nkq n PRO 253 CO 0.00 0.00 0.00 -0.47 -0.04 0.00 0.00 175.50 174.99 1nkq s TYR 254 N -3.02 2.35 -0.29 0.54 5.04 -1.26 -5.03 117.35 115.68 1nkq s TYR 254 Ca 0.13 1.40 -0.14 0.00 -2.44 0.00 0.00 57.07 56.02 1nkq s TYR 254 Cb 0.18 -3.73 0.12 0.00 0.35 0.00 0.00 41.96 38.88 1nkq s TYR 254 CO 0.55 -2.71 0.79 -2.00 -1.34 0.00 0.00 175.55 170.84 1nkq s GLU 255 N -2.92 0.53 -0.10 4.97 2.12 -1.26 -4.32 118.70 117.72 1nkq s GLU 255 Ca 0.71 1.08 -0.15 0.00 0.36 0.00 0.00 54.97 56.97 1nkq s GLU 255 Cb -0.38 0.38 -0.05 0.00 0.26 0.00 0.00 34.13 34.34 1nkq s GLU 255 CO 0.45 -0.14 0.38 0.12 -0.54 0.00 0.00 175.26 175.54 1nkq s PHE 256 N 2.06 3.55 -0.05 5.30 5.36 0.13 -4.98 117.98 129.36 1nkq s PHE 256 Ca -0.07 0.80 -0.02 0.00 -0.96 0.00 0.00 56.93 56.68 1nkq s PHE 256 Cb -0.07 -2.39 0.04 0.00 -0.34 0.00 0.00 43.02 40.26 1nkq s PHE 256 CO -0.18 0.34 0.10 1.03 -1.46 0.00 0.00 175.22 175.04 1nkq s ARG 257 N 0.07 0.03 0.00 10.12 1.81 -1.26 -4.28 118.95 125.44 1nkq s ARG 257 Ca 0.22 0.30 0.00 0.00 -1.72 0.00 0.00 55.73 54.53 1nkq s ARG 257 Cb -0.15 -0.22 0.00 0.00 -0.45 0.00 0.00 34.95 34.14 1nkq s ARG 257 CO 0.09 -0.17 0.44 -1.91 -0.68 0.00 0.00 175.30 173.06