#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xkq h ARG 3 N 0.00 0.06 -0.13 0.54 3.08 -1.89 -3.34 114.38 112.69 1xkq h ARG 3 Ca 0.00 -0.09 -0.06 0.00 0.07 0.00 0.00 59.98 59.90 1xkq h ARG 3 Cb 0.00 0.03 -0.04 0.00 0.08 0.00 0.00 29.97 30.04 1xkq h ARG 3 CO 0.00 1.01 -0.29 1.19 -1.07 0.00 0.00 179.97 180.81 1xkq n PHE 4 N -3.43 0.41 -1.82 3.04 3.72 -0.55 -5.05 117.46 113.78 1xkq n PHE 4 Ca -0.02 -1.47 -0.41 0.00 -0.05 0.00 0.00 57.45 55.50 1xkq n PHE 4 Cb 0.93 -0.33 -0.01 0.00 -0.94 0.00 0.00 39.48 39.12 1xkq n PHE 4 CO 0.00 0.00 0.00 -1.54 -0.05 0.00 0.00 176.76 175.17 1xkq s SER 5 N -2.92 6.41 -0.92 4.37 1.04 -1.03 -2.09 113.70 118.58 1xkq s SER 5 Ca 0.40 2.92 0.00 0.00 0.48 0.00 0.00 55.95 59.75 1xkq s SER 5 Cb 0.37 -2.64 0.00 0.00 0.10 0.00 0.00 66.02 63.85 1xkq s SER 5 CO -0.03 -0.87 0.00 -3.20 0.98 0.00 0.00 173.24 170.12 1xkq n ASN 6 N 1.85 -4.39 -4.48 7.02 5.15 -1.03 -4.93 115.26 114.45 1xkq n ASN 6 Ca 0.06 0.21 -0.33 0.00 -0.60 0.00 0.00 54.58 53.93 1xkq n ASN 6 Cb 0.38 -2.65 -0.13 0.00 -0.53 0.00 0.00 39.78 36.85 1xkq n ASN 6 CO 0.00 0.00 0.00 -0.54 1.40 0.00 0.00 177.26 178.12 1xkq s LYS 7 N -2.52 2.99 -0.27 1.20 -0.14 -0.89 -4.95 119.74 115.16 1xkq s LYS 7 Ca 0.00 -0.62 -0.10 0.00 -1.36 0.00 0.00 55.97 53.88 1xkq s LYS 7 Cb 0.00 -2.59 -0.05 0.00 -1.68 0.00 0.00 37.83 33.52 1xkq s LYS 7 CO 0.00 0.46 0.17 0.95 -0.76 0.00 0.00 175.35 176.17 1xkq s THR 8 N -0.29 5.10 -0.12 2.17 -4.23 -1.26 -0.00 115.64 117.01 1xkq s THR 8 Ca 0.03 0.10 0.01 0.00 -1.18 0.00 0.00 61.69 60.65 1xkq s THR 8 Cb -0.13 -3.42 -0.01 0.00 1.34 0.00 0.00 72.50 70.28 1xkq s THR 8 CO 0.03 0.27 -0.16 -0.69 -0.54 0.00 0.00 174.62 173.52 1xkq s VAL 9 N 1.73 2.74 -0.27 2.29 1.01 0.10 -1.32 120.40 126.68 1xkq s VAL 9 Ca 0.07 -0.77 -0.09 0.00 0.00 0.00 0.00 61.98 61.18 1xkq s VAL 9 Cb -0.16 -2.12 -0.04 0.00 0.00 0.00 0.00 36.38 34.06 1xkq s VAL 9 CO 0.09 0.53 0.14 -0.63 0.00 0.00 0.00 175.10 175.24 1xkq s ILE 10 N 0.36 4.85 -0.39 2.22 1.01 -0.43 -1.13 121.20 127.70 1xkq s ILE 10 Ca -0.13 -0.00 -0.01 0.00 0.00 0.00 0.00 60.65 60.51 1xkq s ILE 10 Cb -0.17 -3.30 0.11 0.00 0.01 0.00 0.00 42.46 39.11 1xkq s ILE 10 CO 0.07 0.28 0.15 -0.63 0.00 0.00 0.00 174.94 174.81 1xkq s ILE 11 N 1.69 2.99 0.52 2.92 1.09 -0.85 -0.90 121.20 128.66 1xkq s ILE 11 Ca 0.07 -2.12 -0.20 0.00 -1.10 0.00 0.00 60.65 57.30 1xkq s ILE 11 Cb -0.16 -3.08 -0.07 0.00 -1.06 0.00 0.00 42.46 38.10 1xkq s ILE 11 CO 0.08 -0.65 1.08 0.42 -0.10 0.00 0.00 174.94 175.77 1xkq s THR 12 N 1.08 3.51 -1.20 2.92 -4.23 -1.01 -3.36 115.64 113.34 1xkq s THR 12 Ca 0.09 0.92 -0.08 0.00 -1.18 0.00 0.00 61.69 61.44 1xkq s THR 12 Cb -0.22 -3.37 0.01 0.00 1.34 0.00 0.00 72.50 70.26 1xkq s THR 12 CO -0.05 -0.22 1.05 0.61 -0.54 0.00 0.00 174.62 175.46 1xkq n GLY 13 N -0.12 -0.38 1.90 3.99 0.00 -1.16 -2.87 105.19 106.55 1xkq n GLY 13 Ca 0.10 0.15 0.07 0.00 0.00 0.00 0.00 46.02 46.34 1xkq n GLY 13 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1xkq n SER 14 N -2.53 5.73 -1.18 1.61 3.41 -0.85 -3.55 113.62 116.26 1xkq n SER 14 Ca -0.00 -2.95 0.11 0.00 -0.26 0.00 0.00 58.87 55.76 1xkq n SER 14 Cb 0.56 -0.69 0.28 0.00 -0.26 0.00 0.00 64.21 64.10 1xkq n SER 14 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 1xkq n SER 15 N 0.58 3.42 -3.59 4.04 3.41 -1.23 -3.67 113.62 116.59 1xkq n SER 15 Ca 0.28 -1.99 0.02 0.00 -0.26 0.00 0.00 58.87 56.93 1xkq n SER 15 Cb 1.21 -0.41 -0.00 0.00 -0.26 0.00 0.00 64.21 64.75 1xkq n SER 15 CO 0.00 0.00 0.00 0.21 -0.16 0.00 0.00 175.04 175.09 1xkq s ASN 16 N -1.06 -0.03 0.23 4.04 2.47 -1.26 -4.27 114.94 115.07 1xkq s ASN 16 Ca 0.43 -0.07 0.00 0.00 0.42 0.00 0.00 52.86 53.64 1xkq s ASN 16 Cb 0.22 0.08 0.00 0.00 -1.45 0.00 0.00 41.25 40.11 1xkq s ASN 16 CO 0.30 -0.15 0.00 0.61 -3.72 0.00 0.00 177.10 174.13 1xkq n GLY 17 N -0.47 2.45 0.24 1.21 0.00 -1.26 -2.17 105.19 105.19 1xkq n GLY 17 Ca -0.09 -0.05 -0.05 0.00 0.00 0.00 0.00 46.02 45.83 1xkq n GLY 17 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 1xkq h ILE 18 N 0.00 1.10 -0.93 -0.61 2.04 -1.88 -2.69 117.51 114.54 1xkq h ILE 18 Ca 0.00 -0.26 0.00 0.00 1.00 0.00 0.00 64.86 65.60 1xkq h ILE 18 Cb 0.00 0.28 -0.05 0.00 -0.74 0.00 0.00 36.82 36.32 1xkq h ILE 18 CO 0.00 0.14 0.59 1.23 0.00 0.00 0.00 178.15 180.11 1xkq h GLY 19 N 0.75 1.32 1.00 5.37 0.00 -1.58 0.17 103.07 110.10 1xkq h GLY 19 Ca 0.23 -0.52 -0.01 0.00 0.00 0.00 0.00 47.33 47.02 1xkq h GLY 19 CO -0.08 0.51 -0.15 -0.09 0.00 0.00 0.00 176.54 176.73 1xkq h ARG 20 N 1.27 -0.41 -0.32 4.80 2.43 -1.18 0.76 114.38 121.73 1xkq h ARG 20 Ca 0.34 0.03 -0.04 0.00 -0.81 0.00 0.00 59.98 59.49 1xkq h ARG 20 Cb -0.10 0.09 -0.02 0.00 -0.42 0.00 0.00 29.97 29.52 1xkq h ARG 20 CO -0.07 -0.27 0.01 1.15 -1.51 0.00 0.00 179.97 179.28 1xkq h THR 21 N -0.43 1.18 -0.18 0.20 2.02 -1.26 -1.10 112.91 113.35 1xkq h THR 21 Ca -0.04 -0.72 -0.05 0.00 0.77 0.00 0.00 66.41 66.37 1xkq h THR 21 Cb 0.33 0.93 -0.00 0.00 -1.74 0.00 0.00 68.15 67.66 1xkq h THR 21 CO 0.07 0.25 -0.07 0.74 0.37 0.00 0.00 175.52 176.87 1xkq h THR 22 N 0.48 1.30 -0.67 3.16 2.02 -0.37 -1.85 112.91 116.98 1xkq h THR 22 Ca 0.11 -1.10 0.03 0.00 0.77 0.00 0.00 66.41 66.21 1xkq h THR 22 Cb 0.29 1.66 -0.04 0.00 -1.74 0.00 0.00 68.15 68.32 1xkq h THR 22 CO 0.01 0.33 0.42 0.00 0.37 0.00 0.00 175.52 176.65 1xkq h ALA 23 N 0.70 0.88 -0.67 6.16 0.00 -0.52 -1.45 119.26 124.35 1xkq h ALA 23 Ca 0.04 -0.02 0.01 0.00 0.00 0.00 0.00 54.91 54.94 1xkq h ALA 23 Cb 0.54 -0.22 -0.04 0.00 0.00 0.00 0.00 17.79 18.07 1xkq h ALA 23 CO 0.02 0.19 0.44 0.82 0.00 0.00 0.00 179.25 180.72 1xkq h ILE 24 N 0.83 1.15 -0.36 0.00 2.04 -1.08 -0.80 117.51 119.28 1xkq h ILE 24 Ca 0.27 -0.30 -0.10 0.00 1.00 0.00 0.00 64.86 65.72 1xkq h ILE 24 Cb 0.01 0.19 -0.01 0.00 -0.74 0.00 0.00 36.82 36.27 1xkq h ILE 24 CO -0.10 0.16 -0.18 -0.07 0.00 0.00 0.00 178.15 177.96 1xkq h LEU 25 N 0.88 0.78 -0.59 1.44 3.38 -0.97 -1.40 115.31 118.84 1xkq h LEU 25 Ca 0.25 -0.41 0.02 0.00 0.09 0.00 0.00 57.88 57.84 1xkq h LEU 25 Cb -0.07 -0.22 -0.04 0.00 0.09 0.00 0.00 40.66 40.43 1xkq h LEU 25 CO -0.07 1.02 0.36 -0.26 0.09 0.00 0.00 178.44 179.58 1xkq h PHE 26 N 0.55 0.68 -0.02 1.13 0.04 -1.01 -1.88 116.94 116.42 1xkq h PHE 26 Ca 0.08 0.02 0.00 0.00 2.80 0.00 0.00 57.97 60.87 1xkq h PHE 26 Cb 0.72 -0.22 -0.00 0.00 2.20 0.00 0.00 35.95 38.65 1xkq h PHE 26 CO 0.06 0.39 0.01 0.00 -0.60 0.00 0.00 178.31 178.17 1xkq h ALA 27 N 1.25 0.03 -0.08 2.45 0.00 -1.02 -1.63 119.26 120.27 1xkq h ALA 27 Ca 0.23 -0.01 0.02 0.00 0.00 0.00 0.00 54.91 55.16 1xkq h ALA 27 Cb 0.01 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 17.79 1xkq h ALA 27 CO -0.10 -0.46 0.11 1.96 0.00 0.00 0.00 179.25 180.76 1xkq h GLN 28 N 0.01 0.00 -0.67 0.00 4.20 -0.92 0.95 115.11 118.69 1xkq h GLN 28 Ca 0.01 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.72 1xkq h GLN 28 Cb 0.02 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.80 1xkq h GLN 28 CO -0.00 0.00 0.00 0.39 -0.67 0.00 0.00 178.83 178.55 1xkq n GLU 29 N -3.61 2.45 -1.66 1.46 -0.58 -0.66 -4.83 120.64 113.22 1xkq n GLU 29 Ca -0.01 -1.34 -0.05 0.00 -0.42 0.00 0.00 57.16 55.33 1xkq n GLU 29 Cb 0.21 -1.67 -0.01 0.00 -0.57 0.00 0.00 31.44 29.39 1xkq n GLU 29 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1xkq n GLY 30 N 0.50 0.45 3.92 0.62 0.00 0.33 -1.48 105.19 109.53 1xkq n GLY 30 Ca 0.12 -0.73 -0.31 0.00 0.00 0.00 0.00 46.02 45.10 1xkq n GLY 30 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1xkq s ALA 31 N -2.24 4.00 -0.04 4.61 0.00 -0.94 -2.45 121.76 124.70 1xkq s ALA 31 Ca 0.00 -0.85 -0.30 0.00 0.00 0.00 0.00 51.96 50.81 1xkq s ALA 31 Cb 0.00 -1.82 -0.02 0.00 0.00 0.00 0.00 23.12 21.27 1xkq s ALA 31 CO 0.00 0.82 1.02 -0.80 0.00 0.00 0.00 175.76 176.80 1xkq s ASN 32 N -2.53 7.28 0.04 0.00 0.02 0.99 -4.39 114.94 116.35 1xkq s ASN 32 Ca 0.35 1.65 0.09 0.00 -1.02 0.00 0.00 52.86 53.92 1xkq s ASN 32 Cb -0.13 -2.56 -0.03 0.00 0.02 0.00 0.00 41.25 38.55 1xkq s ASN 32 CO 0.28 -0.37 -0.25 -0.69 0.02 0.00 0.00 177.10 176.09 1xkq s VAL 33 N 1.48 2.00 -0.28 1.60 1.01 -0.65 0.01 120.40 125.57 1xkq s VAL 33 Ca 0.51 -1.31 0.02 0.00 0.00 0.00 0.00 61.98 61.20 1xkq s VAL 33 Cb -0.21 -1.71 0.06 0.00 0.00 0.00 0.00 36.38 34.52 1xkq s VAL 33 CO 0.24 0.34 -0.07 -0.89 0.00 0.00 0.00 175.10 174.72 1xkq s THR 34 N -0.78 2.34 -0.18 3.92 2.01 -0.28 -0.66 115.64 122.00 1xkq s THR 34 Ca 0.10 -1.67 -0.08 0.00 0.31 0.00 0.00 61.69 60.35 1xkq s THR 34 Cb -0.10 -2.41 -0.04 0.00 0.01 0.00 0.00 72.50 69.96 1xkq s THR 34 CO 0.02 -0.11 0.10 0.27 -0.69 0.00 0.00 174.62 174.21 1xkq s ILE 35 N 1.11 5.16 0.06 1.82 -0.00 -0.49 -2.00 121.20 126.86 1xkq s ILE 35 Ca -0.06 0.10 0.01 0.00 -0.00 0.00 0.00 60.65 60.70 1xkq s ILE 35 Cb -0.20 -3.32 -0.03 0.00 -0.00 0.00 0.00 42.46 38.90 1xkq s ILE 35 CO -0.05 0.48 -0.06 0.28 -0.00 0.00 0.00 174.94 175.59 1xkq s THR 36 N 0.13 0.50 -0.10 8.37 -1.32 -1.25 -0.38 115.64 121.59 1xkq s THR 36 Ca 0.07 -1.48 0.00 0.00 -1.21 0.00 0.00 61.69 59.07 1xkq s THR 36 Cb -0.12 -1.09 0.00 0.00 -1.51 0.00 0.00 72.50 69.78 1xkq s THR 36 CO -0.00 -0.66 0.00 0.61 -2.21 0.00 0.00 174.62 172.35 1xkq n GLY 37 N 0.73 -1.15 0.11 6.08 0.00 -0.91 -2.01 105.19 108.04 1xkq n GLY 37 Ca -0.18 -0.96 -0.14 0.00 0.00 0.00 0.00 46.02 44.74 1xkq n GLY 37 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1xkq n ARG 38 N -0.02 0.68 -2.72 1.61 1.74 -1.26 -0.85 116.66 115.84 1xkq n ARG 38 Ca 0.00 0.11 -0.42 0.00 -0.77 0.00 0.00 57.85 56.77 1xkq n ARG 38 Cb 0.00 -1.57 -0.03 0.00 -1.02 0.00 0.00 32.46 29.84 1xkq n ARG 38 CO 0.00 0.00 0.00 0.45 -1.52 0.00 0.00 177.63 176.56 1xkq s SER 39 N -6.11 6.18 0.42 0.55 0.15 -1.26 -4.82 113.70 108.81 1xkq s SER 39 Ca -0.21 -0.72 0.12 0.00 0.70 0.00 0.00 55.95 55.85 1xkq s SER 39 Cb 0.07 -2.48 0.97 0.00 -1.71 0.00 0.00 66.02 62.87 1xkq s SER 39 CO 0.73 -1.60 1.97 0.77 1.20 0.00 0.00 173.24 176.31 1xkq h SER 40 N 9.75 0.43 0.75 5.45 4.64 -1.98 0.15 113.55 132.74 1xkq h SER 40 Ca -0.28 0.01 -0.04 0.00 -0.47 0.00 0.00 61.79 61.01 1xkq h SER 40 Cb 1.06 -0.08 0.01 0.00 -0.31 0.00 0.00 62.40 63.08 1xkq h SER 40 CO 1.22 0.26 -0.37 -0.08 -0.87 0.00 0.00 176.83 176.99 1xkq h GLU 41 N 0.48 -0.99 0.00 4.77 4.22 -1.99 0.33 114.58 121.41 1xkq h GLU 41 Ca 0.29 0.07 -0.09 0.00 0.08 0.00 0.00 59.36 59.71 1xkq h GLU 41 Cb 0.51 0.22 -0.01 0.00 0.50 0.00 0.00 28.75 29.97 1xkq h GLU 41 CO -0.09 -0.66 -0.42 0.00 -2.18 0.00 0.00 179.01 175.66 1xkq h ARG 42 N -1.02 0.00 -0.14 1.92 3.08 -1.75 -1.62 114.38 114.85 1xkq h ARG 42 Ca -0.10 0.00 -0.01 0.00 0.07 0.00 0.00 59.98 59.94 1xkq h ARG 42 Cb 0.79 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.84 1xkq h ARG 42 CO 0.16 0.42 0.04 1.25 -1.07 0.00 0.00 179.97 180.77 1xkq h LEU 43 N 0.00 0.20 -1.69 3.04 5.85 -0.45 -1.99 115.31 120.27 1xkq h LEU 43 Ca -0.00 -0.20 -0.04 0.00 0.84 0.00 0.00 57.88 58.48 1xkq h LEU 43 Cb 0.78 -0.05 -0.01 0.00 0.37 0.00 0.00 40.66 41.75 1xkq h LEU 43 CO 0.05 0.35 -0.18 -0.08 -0.34 0.00 0.00 178.44 178.24 1xkq h GLU 44 N 0.04 0.00 -0.72 1.25 4.57 -0.13 -1.63 114.58 117.96 1xkq h GLU 44 Ca 0.04 0.00 -0.03 0.00 -1.18 0.00 0.00 59.36 58.19 1xkq h GLU 44 Cb 0.22 0.00 -0.03 0.00 -0.16 0.00 0.00 28.75 28.78 1xkq h GLU 44 CO -0.00 0.18 0.32 1.49 -1.18 0.00 0.00 179.01 179.82 1xkq h GLU 45 N 0.00 1.05 -0.01 1.92 4.81 -0.60 0.15 114.58 121.90 1xkq h GLU 45 Ca -0.00 -0.17 -0.00 0.00 -0.13 0.00 0.00 59.36 59.06 1xkq h GLU 45 Cb 0.36 -0.18 -0.00 0.00 0.63 0.00 0.00 28.75 29.55 1xkq h GLU 45 CO 0.02 0.84 0.00 1.15 -0.73 0.00 0.00 179.01 180.30 1xkq h THR 46 N 1.02 1.21 -0.52 0.32 2.02 -0.67 -1.83 112.91 114.46 1xkq h THR 46 Ca 0.24 -0.61 0.10 0.00 0.77 0.00 0.00 66.41 66.91 1xkq h THR 46 Cb 0.15 1.61 -0.08 0.00 -1.74 0.00 0.00 68.15 68.09 1xkq h THR 46 CO -0.03 0.16 0.01 -0.09 0.37 0.00 0.00 175.52 175.94 1xkq h ARG 47 N -0.24 0.12 -0.42 6.66 2.43 -1.04 -0.63 114.38 121.26 1xkq h ARG 47 Ca 0.00 -0.01 0.03 0.00 -0.81 0.00 0.00 59.98 59.19 1xkq h ARG 47 Cb 0.26 -0.03 -0.03 0.00 -0.42 0.00 0.00 29.97 29.75 1xkq h ARG 47 CO 0.00 0.08 0.23 1.96 -1.51 0.00 0.00 179.97 180.73 1xkq h GLN 48 N 0.12 0.45 -0.49 0.20 1.08 -0.56 -0.62 115.11 115.29 1xkq h GLN 48 Ca 0.26 -0.03 0.03 0.00 -1.45 0.00 0.00 58.65 57.47 1xkq h GLN 48 Cb 0.40 -0.10 -0.03 0.00 -0.05 0.00 0.00 27.48 27.70 1xkq h GLN 48 CO -0.43 0.30 0.33 0.82 -0.95 0.00 0.00 178.83 178.90 1xkq h ILE 49 N 0.46 1.04 0.34 2.54 2.04 -0.38 -0.40 117.51 123.15 1xkq h ILE 49 Ca 0.17 -0.18 -0.02 0.00 1.00 0.00 0.00 64.86 65.83 1xkq h ILE 49 Cb 0.05 0.46 0.00 0.00 -0.74 0.00 0.00 36.82 36.59 1xkq h ILE 49 CO -0.10 0.10 -0.16 0.40 0.00 0.00 0.00 178.15 178.38 1xkq h ILE 50 N 0.54 0.59 -0.87 -0.67 1.08 -0.07 -2.98 117.51 115.14 1xkq h ILE 50 Ca 0.20 -0.63 0.04 0.00 -0.39 0.00 0.00 64.86 64.08 1xkq h ILE 50 Cb 0.13 0.88 -0.05 0.00 -3.07 0.00 0.00 36.82 34.70 1xkq h ILE 50 CO -0.05 0.11 0.57 -0.07 -0.69 0.00 0.00 178.15 178.02 1xkq h LEU 51 N -0.85 0.92 -0.63 1.44 3.38 -0.81 -0.06 115.31 118.70 1xkq h LEU 51 Ca -0.05 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.92 1xkq h LEU 51 Cb 0.53 -0.21 0.00 0.00 0.09 0.00 0.00 40.66 41.07 1xkq h LEU 51 CO 0.08 0.62 0.00 1.17 0.09 0.00 0.00 178.44 180.40 1xkq n LYS 52 N -4.45 0.16 0.00 1.13 4.81 -0.19 -1.42 118.16 118.20 1xkq n LYS 52 Ca 0.12 0.41 0.14 0.00 -0.87 0.00 0.00 58.31 58.10 1xkq n LYS 52 Cb 0.13 -1.82 0.63 0.00 0.02 0.00 0.00 35.03 33.98 1xkq n LYS 52 CO 0.00 0.00 0.00 0.43 1.17 0.00 0.00 177.40 179.00 1xkq n SER 53 N -2.13 0.00 0.00 3.14 7.64 -0.04 -4.87 113.62 117.36 1xkq n SER 53 Ca 0.02 0.42 0.00 0.00 1.01 0.00 0.00 58.87 60.32 1xkq n SER 53 Cb 0.21 -0.47 0.00 0.00 -1.01 0.00 0.00 64.21 62.94 1xkq n SER 53 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1xkq n GLY 54 N 1.42 0.56 3.71 0.23 0.00 -0.51 -5.07 105.19 105.53 1xkq n GLY 54 Ca 0.08 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.68 1xkq n GLY 54 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1xkq s VAL 55 N -2.00 4.78 0.32 1.61 1.01 -1.22 -5.01 120.40 119.88 1xkq s VAL 55 Ca 0.00 2.03 -0.29 0.00 0.00 0.00 0.00 61.98 63.72 1xkq s VAL 55 Cb 0.00 -4.30 -0.10 0.00 0.00 0.00 0.00 36.38 31.98 1xkq s VAL 55 CO 0.00 0.18 1.27 -0.94 0.00 0.00 0.00 175.10 175.60 1xkq s SER 56 N 0.89 6.87 0.00 3.32 1.04 -1.26 -4.22 113.70 120.34 1xkq s SER 56 Ca 0.52 2.60 0.10 0.00 0.48 0.00 0.00 55.95 59.65 1xkq s SER 56 Cb -0.22 -2.64 0.55 0.00 0.10 0.00 0.00 66.02 63.81 1xkq s SER 56 CO 0.28 -0.46 1.19 -1.84 0.98 0.00 0.00 173.24 173.39 1xkq n GLU 57 N 0.94 0.19 0.08 4.02 0.28 -1.26 -1.46 120.64 123.43 1xkq n GLU 57 Ca -0.00 0.14 0.13 0.00 -0.16 0.00 0.00 57.16 57.27 1xkq n GLU 57 Cb 0.42 -1.50 0.46 0.00 1.43 0.00 0.00 31.44 32.25 1xkq n GLU 57 CO 0.00 0.00 0.00 1.63 -0.16 0.00 0.00 177.13 178.60 1xkq n LYS 58 N -1.22 0.18 -0.54 3.44 5.02 -1.26 -2.35 118.16 121.44 1xkq n LYS 58 Ca 0.06 0.22 0.06 0.00 -2.02 0.00 0.00 58.31 56.62 1xkq n LYS 58 Cb 0.07 -1.74 0.25 0.00 -0.02 0.00 0.00 35.03 33.59 1xkq n LYS 58 CO 0.00 0.00 0.00 1.04 -0.52 0.00 0.00 177.40 177.92 1xkq n GLN 59 N -2.06 2.78 -3.75 1.97 6.02 -0.54 -4.90 117.38 116.90 1xkq n GLN 59 Ca 0.05 -2.91 -0.25 0.00 -0.01 0.00 0.00 57.00 53.87 1xkq n GLN 59 Cb 0.36 -1.86 -0.17 0.00 1.02 0.00 0.00 30.24 29.58 1xkq n GLN 59 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 177.06 176.13 1xkq s VAL 60 N -2.91 0.45 -0.33 5.09 1.01 -0.99 -1.64 120.40 121.07 1xkq s VAL 60 Ca 0.43 -0.24 -0.00 0.00 0.00 0.00 0.00 61.98 62.18 1xkq s VAL 60 Cb 0.36 -0.80 0.08 0.00 0.00 0.00 0.00 36.38 36.02 1xkq s VAL 60 CO 0.08 0.01 0.05 0.21 0.00 0.00 0.00 175.10 175.45 1xkq s ASN 61 N 1.92 4.90 0.06 3.32 2.47 0.16 -4.94 114.94 122.83 1xkq s ASN 61 Ca 0.02 -1.71 -0.21 0.00 0.42 0.00 0.00 52.86 51.39 1xkq s ASN 61 Cb -0.15 -1.70 -0.06 0.00 -1.45 0.00 0.00 41.25 37.89 1xkq s ASN 61 CO -0.07 -0.36 0.61 -0.55 -3.72 0.00 0.00 177.10 173.02 1xkq s SER 62 N 1.31 7.09 -0.08 -4.21 0.15 -1.26 -1.39 113.70 115.30 1xkq s SER 62 Ca 0.02 1.29 -0.03 0.00 0.70 0.00 0.00 55.95 57.93 1xkq s SER 62 Cb -0.20 -2.38 0.04 0.00 -1.71 0.00 0.00 66.02 61.76 1xkq s SER 62 CO -0.04 0.20 0.15 -0.69 1.20 0.00 0.00 173.24 174.06 1xkq s VAL 63 N -0.80 -0.19 -0.24 4.45 1.01 0.49 -4.95 120.40 120.17 1xkq s VAL 63 Ca 0.31 0.31 -0.16 0.00 0.00 0.00 0.00 61.98 62.44 1xkq s VAL 63 Cb -0.20 -0.27 -0.04 0.00 0.00 0.00 0.00 36.38 35.88 1xkq s VAL 63 CO 0.20 0.13 0.41 -0.69 0.00 0.00 0.00 175.10 175.14 1xkq s VAL 64 N 1.96 5.17 -0.17 2.92 1.01 -1.26 -2.15 120.40 127.88 1xkq s VAL 64 Ca -0.00 0.68 -0.31 0.00 0.00 0.00 0.00 61.98 62.34 1xkq s VAL 64 Cb -0.12 -3.73 0.14 0.00 0.00 0.00 0.00 36.38 32.67 1xkq s VAL 64 CO -0.06 0.18 1.10 0.00 0.00 0.00 0.00 175.10 176.32 1xkq s ALA 65 N 1.82 -1.98 -0.47 5.51 0.00 -0.03 -4.94 121.76 121.66 1xkq s ALA 65 Ca 0.18 1.56 -0.24 0.00 0.00 0.00 0.00 51.96 53.46 1xkq s ALA 65 Cb -0.15 -0.56 0.03 0.00 0.00 0.00 0.00 23.12 22.44 1xkq s ALA 65 CO 0.09 -0.42 0.85 0.34 0.00 0.00 0.00 175.76 176.62 1xkq s ASP 66 N -1.55 6.42 0.00 0.00 -1.08 -1.26 -4.18 116.67 115.02 1xkq s ASP 66 Ca 0.04 -0.11 0.06 0.00 -0.52 0.00 0.00 52.55 52.02 1xkq s ASP 66 Cb -0.01 -2.41 0.28 0.00 -1.46 0.00 0.00 42.92 39.32 1xkq s ASP 66 CO -0.03 -1.01 1.11 0.55 0.52 0.00 0.00 175.17 176.30 1xkq n VAL 67 N 6.22 1.24 1.18 1.11 3.14 -1.26 -1.98 118.33 127.97 1xkq n VAL 67 Ca 0.03 0.31 0.13 0.00 -2.96 0.00 0.00 64.34 61.85 1xkq n VAL 67 Cb 0.48 -1.21 0.30 0.00 -1.06 0.00 0.00 33.84 32.35 1xkq n VAL 67 CO 0.00 0.00 0.00 0.35 -6.46 0.00 0.00 176.83 170.72 1xkq n THR 68 N -1.39 0.00 -4.04 1.55 -2.24 -1.26 -4.63 114.28 102.27 1xkq n THR 68 Ca 0.02 -0.12 -0.29 0.00 -2.27 0.00 0.00 64.05 61.39 1xkq n THR 68 Cb 0.06 0.49 -0.06 0.00 -2.10 0.00 0.00 70.33 68.72 1xkq n THR 68 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 1xkq s THR 69 N -2.57 4.62 0.45 4.28 -4.23 -0.84 -4.94 115.64 112.40 1xkq s THR 69 Ca 0.22 -0.84 0.10 0.00 -1.18 0.00 0.00 61.69 59.99 1xkq s THR 69 Cb 0.19 -3.28 0.27 0.00 1.34 0.00 0.00 72.50 71.01 1xkq s THR 69 CO 0.56 0.04 2.09 -0.33 -0.54 0.00 0.00 174.62 176.43 1xkq h GLU 70 N 2.92 0.36 0.21 3.99 4.39 -1.91 -2.44 114.58 122.11 1xkq h GLU 70 Ca -0.47 -0.02 -0.01 0.00 0.34 0.00 0.00 59.36 59.20 1xkq h GLU 70 Cb 1.18 -0.08 0.00 0.00 -0.10 0.00 0.00 28.75 29.75 1xkq h GLU 70 CO 0.66 0.24 -0.10 -0.44 -1.16 0.00 0.00 179.01 178.20 1xkq h ASP 71 N 0.37 -0.24 -0.29 1.42 3.32 -1.94 -2.01 116.42 117.05 1xkq h ASP 71 Ca 0.10 -0.29 0.07 0.00 0.02 0.00 0.00 57.03 56.93 1xkq h ASP 71 Cb -0.04 0.06 -0.07 0.00 0.22 0.00 0.00 39.33 39.51 1xkq h ASP 71 CO -0.02 0.24 -0.16 1.23 -1.72 0.00 0.00 179.24 178.81 1xkq h GLY 72 N -0.82 0.05 1.74 2.75 0.00 -1.63 0.94 103.07 106.09 1xkq h GLY 72 Ca -0.03 0.21 -0.06 0.00 0.00 0.00 0.00 47.33 47.45 1xkq h GLY 72 CO 0.05 -0.17 -0.13 0.06 0.00 0.00 0.00 176.54 176.34 1xkq h GLN 73 N -0.13 0.32 -0.53 4.80 3.07 -1.54 -0.94 115.11 120.17 1xkq h GLN 73 Ca 0.15 -0.08 -0.11 0.00 0.09 0.00 0.00 58.65 58.70 1xkq h GLN 73 Cb 0.36 -0.04 -0.02 0.00 0.08 0.00 0.00 27.48 27.87 1xkq h GLN 73 CO -0.37 0.46 -0.11 -0.44 0.09 0.00 0.00 178.83 178.45 1xkq h ASP 74 N 0.30 0.99 -0.43 0.06 3.32 -0.48 -2.00 116.42 118.18 1xkq h ASP 74 Ca 0.06 -0.33 -0.09 0.00 0.02 0.00 0.00 57.03 56.69 1xkq h ASP 74 Cb 0.42 -0.27 -0.01 0.00 0.22 0.00 0.00 39.33 39.69 1xkq h ASP 74 CO 0.02 1.11 -0.08 -0.61 -1.72 0.00 0.00 179.24 177.96 1xkq h GLN 75 N 0.88 0.81 -0.44 3.56 5.75 -0.28 0.31 115.11 125.70 1xkq h GLN 75 Ca 0.14 -0.30 0.01 0.00 -0.15 0.00 0.00 58.65 58.35 1xkq h GLN 75 Cb 0.67 -0.05 -0.03 0.00 1.07 0.00 0.00 27.48 29.14 1xkq h GLN 75 CO 0.05 0.92 0.27 0.82 -2.65 0.00 0.00 178.83 178.24 1xkq h ILE 76 N 0.64 1.07 -0.10 2.39 2.04 -1.07 -1.49 117.51 120.99 1xkq h ILE 76 Ca 0.11 -0.19 -0.23 0.00 1.00 0.00 0.00 64.86 65.56 1xkq h ILE 76 Cb 0.60 0.47 0.01 0.00 -0.74 0.00 0.00 36.82 37.16 1xkq h ILE 76 CO 0.04 0.10 -0.83 0.40 0.00 0.00 0.00 178.15 177.85 1xkq h ILE 77 N 0.55 1.30 0.28 -0.67 2.04 -1.26 -3.02 117.51 116.74 1xkq h ILE 77 Ca 0.17 -2.08 -0.01 0.00 1.00 0.00 0.00 64.86 63.94 1xkq h ILE 77 Cb -0.01 2.10 0.00 0.00 -0.74 0.00 0.00 36.82 38.17 1xkq h ILE 77 CO -0.07 0.65 -0.14 0.78 0.00 0.00 0.00 178.15 179.38 1xkq h ASN 78 N 0.45 -0.32 0.25 1.72 -0.26 -0.17 -1.64 115.58 115.61 1xkq h ASN 78 Ca -0.07 -0.06 -0.04 0.00 -0.56 0.00 0.00 56.30 55.57 1xkq h ASN 78 Cb 1.46 0.08 -0.01 0.00 -1.06 0.00 0.00 38.32 38.80 1xkq h ASN 78 CO 0.16 -0.14 -0.18 0.77 -1.06 0.00 0.00 177.43 176.98 1xkq h SER 79 N -0.49 0.00 -0.13 5.81 4.64 -1.40 0.18 113.55 122.16 1xkq h SER 79 Ca -0.04 0.00 -0.03 0.00 -0.47 0.00 0.00 61.79 61.25 1xkq h SER 79 Cb 0.36 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.45 1xkq h SER 79 CO 0.06 0.18 -0.05 0.74 -0.87 0.00 0.00 176.83 176.90 1xkq h THR 80 N 0.00 1.31 -0.34 2.95 2.02 -1.36 -0.54 112.91 116.94 1xkq h THR 80 Ca -0.00 -1.05 -0.15 0.00 0.77 0.00 0.00 66.41 65.98 1xkq h THR 80 Cb 0.36 1.73 -0.01 0.00 -1.74 0.00 0.00 68.15 68.49 1xkq h THR 80 CO 0.02 0.30 -0.40 -0.07 0.37 0.00 0.00 175.52 175.75 1xkq h LEU 81 N -0.06 0.89 0.22 2.58 3.38 -0.94 0.16 115.31 121.54 1xkq h LEU 81 Ca 0.03 -0.41 -0.01 0.00 0.09 0.00 0.00 57.88 57.58 1xkq h LEU 81 Cb 0.50 -0.25 0.00 0.00 0.09 0.00 0.00 40.66 41.00 1xkq h LEU 81 CO 0.02 1.18 -0.11 0.50 0.09 0.00 0.00 178.44 180.12 1xkq h LYS 82 N 0.68 -0.29 0.00 1.13 3.64 -0.60 1.40 116.57 122.53 1xkq h LYS 82 Ca 0.05 0.02 -0.07 0.00 -1.27 0.00 0.00 60.65 59.38 1xkq h LYS 82 Cb 0.97 0.06 -0.01 0.00 -0.41 0.00 0.00 32.23 32.85 1xkq h LYS 82 CO 0.09 -0.18 -0.33 0.37 -2.27 0.00 0.00 179.45 177.13 1xkq h GLN 83 N -0.31 0.00 0.00 1.90 4.15 -1.10 -3.38 115.11 116.37 1xkq h GLN 83 Ca -0.03 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.39 1xkq h GLN 83 Cb 0.24 0.00 0.00 0.00 0.21 0.00 0.00 27.48 27.93 1xkq h GLN 83 CO 0.05 0.33 -0.53 1.19 -1.93 0.00 0.00 178.83 177.94 1xkq n PHE 84 N -3.20 0.00 -0.10 3.99 3.72 0.55 -5.03 117.46 117.39 1xkq n PHE 84 Ca 0.02 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.42 1xkq n PHE 84 Cb 0.65 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.19 1xkq n PHE 84 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1xkq n GLY 85 N 1.76 2.03 3.83 1.37 0.00 0.48 -4.92 105.19 109.74 1xkq n GLY 85 Ca 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 45.95 1xkq n GLY 85 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1xkq s LYS 86 N -0.03 1.89 -0.06 1.61 -2.85 -1.26 -4.97 119.74 114.07 1xkq s LYS 86 Ca 0.00 -1.16 -0.02 0.00 -1.00 0.00 0.00 55.97 53.78 1xkq s LYS 86 Cb 0.00 0.56 0.04 0.00 -2.06 0.00 0.00 37.83 36.37 1xkq s LYS 86 CO 0.00 -0.88 0.11 0.42 0.10 0.00 0.00 175.35 175.10 1xkq s ILE 87 N -2.79 -0.16 -0.22 3.79 1.01 -1.26 -4.63 121.20 116.94 1xkq s ILE 87 Ca 0.15 0.35 0.09 0.00 0.00 0.00 0.00 60.65 61.24 1xkq s ILE 87 Cb -0.05 -0.21 -0.20 0.00 0.01 0.00 0.00 42.46 42.02 1xkq s ILE 87 CO 0.08 0.15 -0.09 0.47 0.00 0.00 0.00 174.94 175.55 1xkq n ASP 88 N 5.06 1.23 -3.79 3.58 8.00 -0.44 -4.33 116.55 125.85 1xkq n ASP 88 Ca -0.09 -0.07 -0.13 0.00 0.71 0.00 0.00 54.79 55.21 1xkq n ASP 88 Cb 0.50 0.23 -0.11 0.00 -0.02 0.00 0.00 41.12 41.72 1xkq n ASP 88 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 1xkq s VAL 89 N -2.49 0.01 -0.14 2.53 0.11 -0.94 -0.62 120.40 118.87 1xkq s VAL 89 Ca -0.23 -0.10 0.02 0.00 -2.93 0.00 0.00 61.98 58.74 1xkq s VAL 89 Cb 0.07 -0.38 0.01 0.00 -1.53 0.00 0.00 36.38 34.56 1xkq s VAL 89 CO 0.67 -0.05 -0.19 -0.22 -3.33 0.00 0.00 175.10 171.98 1xkq s LEU 90 N -0.11 1.94 -0.32 2.54 2.96 -0.49 -1.31 118.68 123.88 1xkq s LEU 90 Ca -0.02 -0.54 -0.05 0.00 -0.22 0.00 0.00 54.13 53.30 1xkq s LEU 90 Cb -0.03 -1.31 0.04 0.00 0.50 0.00 0.00 46.19 45.39 1xkq s LEU 90 CO 0.01 0.03 0.06 0.54 -1.32 0.00 0.00 176.35 175.67 1xkq s VAL 91 N 1.03 3.50 -1.19 1.68 0.11 -0.08 -1.67 120.40 123.77 1xkq s VAL 91 Ca -0.03 -1.18 -0.17 0.00 -2.93 0.00 0.00 61.98 57.67 1xkq s VAL 91 Cb -0.15 -2.97 0.12 0.00 -1.53 0.00 0.00 36.38 31.85 1xkq s VAL 91 CO -0.05 -0.12 1.51 0.20 -3.33 0.00 0.00 175.10 173.31 1xkq s ASN 92 N 1.36 6.88 -0.17 3.54 0.01 -0.38 -2.41 114.94 123.77 1xkq s ASN 92 Ca -0.03 -2.53 0.15 0.00 -0.71 0.00 0.00 52.86 49.74 1xkq s ASN 92 Cb -0.19 -2.48 -0.24 0.00 0.41 0.00 0.00 41.25 38.74 1xkq s ASN 92 CO 0.01 -1.01 0.17 -3.20 -1.51 0.00 0.00 177.10 171.56 1xkq n ASN 93 N 7.09 0.36 -4.64 -1.22 5.15 -1.25 -1.69 115.26 119.05 1xkq n ASN 93 Ca 0.39 0.08 -0.46 0.00 -0.60 0.00 0.00 54.58 53.99 1xkq n ASN 93 Cb 0.45 0.65 -0.03 0.00 -0.53 0.00 0.00 39.78 40.32 1xkq n ASN 93 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1xkq n ALA 94 N -2.75 0.58 0.00 5.20 0.00 -1.14 -4.86 120.51 117.54 1xkq n ALA 94 Ca -0.31 0.43 0.00 0.00 0.00 0.00 0.00 53.44 53.56 1xkq n ALA 94 Cb 1.12 -2.21 0.00 0.00 0.00 0.00 0.00 19.45 18.37 1xkq n ALA 94 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1xkq n GLY 95 N 2.16 0.65 3.63 0.00 0.00 -1.26 -4.77 105.19 105.59 1xkq n GLY 95 Ca 0.13 -0.82 -0.03 0.00 0.00 0.00 0.00 46.02 45.29 1xkq n GLY 95 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1xkq s ALA 96 N -2.00 -2.14 -0.53 4.61 0.00 -1.26 -5.06 121.76 115.38 1xkq s ALA 96 Ca 0.00 1.80 -0.18 0.00 0.00 0.00 0.00 51.96 53.59 1xkq s ALA 96 Cb 0.00 -0.55 0.09 0.00 0.00 0.00 0.00 23.12 22.65 1xkq s ALA 96 CO 0.00 -0.49 0.56 0.00 0.00 0.00 0.00 175.76 175.83 1xkq s ALA 97 N -1.92 3.49 -0.15 0.00 0.00 -1.26 -4.86 121.76 117.05 1xkq s ALA 97 Ca 0.10 -2.12 -0.29 0.00 0.00 0.00 0.00 51.96 49.65 1xkq s ALA 97 Cb -0.01 -3.31 -0.01 0.00 0.00 0.00 0.00 23.12 19.79 1xkq s ALA 97 CO -0.04 -2.03 1.05 0.42 0.00 0.00 0.00 175.76 175.16 1xkq s ILE 98 N 2.20 4.66 0.55 0.00 1.01 -1.26 -4.67 121.20 123.69 1xkq s ILE 98 Ca 0.09 1.96 -0.09 0.00 0.00 0.00 0.00 60.65 62.61 1xkq s ILE 98 Cb -0.24 -4.27 -0.04 0.00 0.01 0.00 0.00 42.46 37.92 1xkq s ILE 98 CO 0.07 -0.07 0.92 -2.16 0.00 0.00 0.00 174.94 173.70 1xkq s PRO 99 N 2.55 3.62 0.55 2.79 0.04 -1.26 -4.99 135.00 138.29 1xkq s PRO 99 Ca 0.48 0.55 -0.17 0.00 0.04 0.00 0.00 61.00 61.90 1xkq s PRO 99 Cb -0.18 -2.21 -0.06 0.00 0.04 0.00 0.00 34.50 32.09 1xkq s PRO 99 CO 0.14 -0.38 1.02 0.34 0.04 0.00 0.00 177.00 178.16 1xkq s ASP 100 N -4.00 6.22 0.58 6.66 2.15 -1.26 -4.93 116.67 122.10 1xkq s ASP 100 Ca 0.52 1.71 0.28 0.00 0.43 0.00 0.00 52.55 55.50 1xkq s ASP 100 Cb -0.11 -2.52 1.62 0.00 -0.30 0.00 0.00 42.92 41.61 1xkq s ASP 100 CO 0.47 -0.86 2.08 0.00 -0.17 0.00 0.00 175.17 176.69 1xkq h ALA 101 N 0.76 1.87 -0.05 3.66 0.00 -1.98 -1.23 119.26 122.31 1xkq h ALA 101 Ca -0.47 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.42 1xkq h ALA 101 Cb 1.20 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 19.00 1xkq h ALA 101 CO 0.59 -0.33 -0.15 1.19 0.00 0.00 0.00 179.25 180.55 1xkq n PHE 102 N -3.85 0.15 -1.39 0.00 3.01 -1.26 -4.95 117.46 109.18 1xkq n PHE 102 Ca 0.02 -1.17 -0.13 0.00 1.01 0.00 0.00 57.45 57.18 1xkq n PHE 102 Cb 0.36 -0.21 -0.06 0.00 -0.01 0.00 0.00 39.48 39.55 1xkq n PHE 102 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1xkq n GLY 103 N -1.25 1.39 3.77 1.37 0.00 -0.46 -4.95 105.19 105.06 1xkq n GLY 103 Ca 0.18 -0.33 -0.41 0.00 0.00 0.00 0.00 46.02 45.46 1xkq n GLY 103 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1xkq s THR 104 N -2.45 2.21 0.25 2.61 2.01 -1.26 -4.85 115.64 114.17 1xkq s THR 104 Ca 0.00 0.21 0.02 0.00 0.31 0.00 0.00 61.69 62.23 1xkq s THR 104 Cb 0.00 -3.13 -0.05 0.00 0.01 0.00 0.00 72.50 69.33 1xkq s THR 104 CO 0.00 0.05 0.07 0.42 -0.69 0.00 0.00 174.62 174.47 1xkq s THR 105 N -0.88 0.70 0.00 -0.82 -4.23 -1.26 -4.28 115.64 104.86 1xkq s THR 105 Ca 0.54 -2.00 0.00 0.00 -1.18 0.00 0.00 61.69 59.05 1xkq s THR 105 Cb -0.45 -2.57 0.00 0.00 1.34 0.00 0.00 72.50 70.82 1xkq s THR 105 CO 0.58 -0.09 0.00 0.61 -0.54 0.00 0.00 174.62 175.18 1xkq n GLY 106 N -0.46 -1.90 0.42 3.99 0.00 0.86 -4.02 105.19 104.08 1xkq n GLY 106 Ca -0.01 -1.41 0.24 0.00 0.00 0.00 0.00 46.02 44.84 1xkq n GLY 106 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 1xkq h THR 107 N 0.00 0.58 0.00 2.61 2.02 -1.87 -1.62 112.91 114.63 1xkq h THR 107 Ca 0.00 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.18 1xkq h THR 107 Cb 0.00 0.63 0.00 0.00 -1.74 0.00 0.00 68.15 67.04 1xkq h THR 107 CO 0.00 0.00 0.00 0.47 0.37 0.00 0.00 175.52 176.36 1xkq n ASP 108 N -4.20 0.39 -4.65 4.18 8.00 -1.26 -4.80 116.55 114.21 1xkq n ASP 108 Ca 0.14 0.60 -0.45 0.00 0.71 0.00 0.00 54.79 55.78 1xkq n ASP 108 Cb 0.78 -0.68 -0.03 0.00 -0.02 0.00 0.00 41.12 41.18 1xkq n ASP 108 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1xkq n GLN 109 N -1.94 1.84 -1.14 -1.24 6.02 -0.61 -4.90 117.38 115.41 1xkq n GLN 109 Ca 0.03 0.65 -0.30 0.00 -0.01 0.00 0.00 57.00 57.37 1xkq n GLN 109 Cb 0.20 -2.25 0.13 0.00 1.02 0.00 0.00 30.24 29.33 1xkq n GLN 109 CO 0.00 0.00 0.00 0.20 -1.01 0.00 0.00 177.06 176.25 1xkq s GLY 110 N 0.10 1.64 0.50 1.08 0.00 -1.26 -4.91 107.32 104.48 1xkq s GLY 110 Ca 0.67 0.13 0.21 0.00 0.00 0.00 0.00 44.72 45.73 1xkq s GLY 110 CO 0.52 0.56 2.08 -2.22 0.00 0.00 0.00 173.10 174.05 1xkq h ILE 111 N -1.47 0.84 -0.80 0.90 1.08 -1.97 -1.55 117.51 114.54 1xkq h ILE 111 Ca -0.47 -0.41 -0.03 0.00 -0.39 0.00 0.00 64.86 63.55 1xkq h ILE 111 Cb 1.26 1.24 -0.04 0.00 -3.07 0.00 0.00 36.82 36.22 1xkq h ILE 111 CO 0.52 0.11 0.37 0.44 -0.69 0.00 0.00 178.15 178.89 1xkq h ASP 112 N 0.00 1.06 -0.54 1.72 3.32 -2.00 -0.99 116.42 119.00 1xkq h ASP 112 Ca -0.00 -0.15 -0.06 0.00 0.02 0.00 0.00 57.03 56.85 1xkq h ASP 112 Cb 0.23 -0.27 -0.02 0.00 0.22 0.00 0.00 39.33 39.48 1xkq h ASP 112 CO 0.01 0.91 0.11 0.40 -1.72 0.00 0.00 179.24 178.96 1xkq h ILE 113 N 1.14 1.25 0.12 0.35 2.04 -1.65 -2.22 117.51 118.54 1xkq h ILE 113 Ca 0.27 -0.90 0.02 0.00 1.00 0.00 0.00 64.86 65.25 1xkq h ILE 113 Cb 0.14 0.80 -0.03 0.00 -0.74 0.00 0.00 36.82 36.99 1xkq h ILE 113 CO -0.03 0.33 -0.27 0.22 0.00 0.00 0.00 178.15 178.40 1xkq h TYR 114 N 0.76 -0.73 -0.16 1.37 3.20 -1.13 0.12 116.97 120.40 1xkq h TYR 114 Ca 0.17 0.02 0.04 0.00 3.14 0.00 0.00 58.73 62.09 1xkq h TYR 114 Cb 0.36 0.31 -0.04 0.00 1.54 0.00 0.00 36.73 38.90 1xkq h TYR 114 CO 0.03 -0.37 -0.08 0.45 -1.64 0.00 0.00 178.16 176.54 1xkq h HIS 115 N -0.48 -0.20 -0.47 -3.82 3.86 -1.10 -1.28 115.15 111.66 1xkq h HIS 115 Ca 0.03 0.02 -0.02 0.00 -1.16 0.00 0.00 60.37 59.24 1xkq h HIS 115 Cb 0.51 0.11 -0.02 0.00 1.06 0.00 0.00 27.41 29.07 1xkq h HIS 115 CO -0.25 -0.13 0.23 0.87 0.86 0.00 0.00 177.93 179.51 1xkq h LYS 116 N -0.07 0.67 0.12 2.45 6.56 -1.28 -1.22 116.57 123.80 1xkq h LYS 116 Ca 0.09 -0.09 -0.01 0.00 -1.06 0.00 0.00 60.65 59.58 1xkq h LYS 116 Cb 0.21 -0.12 0.00 0.00 -0.57 0.00 0.00 32.23 31.75 1xkq h LYS 116 CO -0.21 0.56 -0.06 1.15 -2.06 0.00 0.00 179.45 178.83 1xkq h THR 117 N 0.61 0.93 -0.19 -0.16 2.02 -0.69 -2.83 112.91 112.60 1xkq h THR 117 Ca 0.16 -0.20 -0.12 0.00 0.77 0.00 0.00 66.41 67.01 1xkq h THR 117 Cb 0.11 1.07 -0.01 0.00 -1.74 0.00 0.00 68.15 67.57 1xkq h THR 117 CO -0.02 0.05 -0.40 -0.07 0.37 0.00 0.00 175.52 175.44 1xkq h LEU 118 N -0.26 0.46 -0.85 2.58 4.07 -1.25 0.10 115.31 120.17 1xkq h LEU 118 Ca -0.02 -0.20 0.07 0.00 0.08 0.00 0.00 57.88 57.81 1xkq h LEU 118 Cb 0.21 -0.13 -0.06 0.00 1.08 0.00 0.00 40.66 41.75 1xkq h LEU 118 CO 0.03 0.82 0.52 0.50 -1.08 0.00 0.00 178.44 179.23 1xkq h LYS 119 N 0.37 0.91 0.00 1.13 3.64 -1.13 0.40 116.57 121.88 1xkq h LYS 119 Ca 0.03 -0.05 -0.01 0.00 -1.27 0.00 0.00 60.65 59.35 1xkq h LYS 119 Cb 0.87 -0.21 -0.00 0.00 -0.41 0.00 0.00 32.23 32.48 1xkq h LYS 119 CO 0.07 0.60 -0.16 1.25 -2.27 0.00 0.00 179.45 178.95 1xkq h LEU 120 N 0.94 0.00 -1.40 5.20 5.85 -1.42 -0.51 115.31 123.98 1xkq h LEU 120 Ca 0.38 -0.19 0.00 0.00 0.84 0.00 0.00 57.88 58.91 1xkq h LEU 120 Cb 0.20 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.23 1xkq h LEU 120 CO -0.18 0.68 0.00 0.78 -0.34 0.00 0.00 178.44 179.38 1xkq h ASN 121 N -1.00 0.00 0.00 1.25 2.35 -0.99 -3.34 115.58 113.86 1xkq h ASN 121 Ca -0.02 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.73 1xkq h ASN 121 Cb 0.32 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.69 1xkq h ASN 121 CO -0.01 0.00 -0.05 -0.11 -1.65 0.00 0.00 177.43 175.60 1xkq n LEU 122 N -3.06 0.73 -0.18 1.61 7.94 0.10 -4.73 117.00 119.41 1xkq n LEU 122 Ca 0.01 0.22 -0.01 0.00 -1.11 0.00 0.00 56.01 55.12 1xkq n LEU 122 Cb 0.31 -0.14 0.09 0.00 0.53 0.00 0.00 43.42 44.21 1xkq n LEU 122 CO 0.27 -0.72 0.93 -0.61 -1.11 0.00 0.00 177.39 176.15 1xkq h GLN 123 N 0.00 0.28 -0.73 1.96 4.15 -0.49 -1.53 115.11 118.75 1xkq h GLN 123 Ca 0.00 -0.02 0.01 0.00 0.77 0.00 0.00 58.65 59.42 1xkq h GLN 123 Cb 0.05 -0.06 -0.04 0.00 0.21 0.00 0.00 27.48 27.64 1xkq h GLN 123 CO 0.00 0.18 0.48 0.00 -1.93 0.00 0.00 178.83 177.57 1xkq h ALA 124 N 1.42 0.94 -0.66 3.38 0.00 -1.20 0.10 119.26 123.24 1xkq h ALA 124 Ca 0.28 -0.05 -0.00 0.00 0.00 0.00 0.00 54.91 55.14 1xkq h ALA 124 Cb 0.39 -0.29 -0.03 0.00 0.00 0.00 0.00 17.79 17.86 1xkq h ALA 124 CO -0.34 0.33 0.40 0.28 0.00 0.00 0.00 179.25 179.91 1xkq h VAL 125 N 0.98 1.19 -0.38 0.00 2.07 -1.56 0.38 116.25 118.92 1xkq h VAL 125 Ca 0.27 -0.42 -0.02 0.00 0.82 0.00 0.00 66.70 67.35 1xkq h VAL 125 Cb -0.09 0.29 -0.02 0.00 -1.52 0.00 0.00 31.29 29.95 1xkq h VAL 125 CO -0.07 0.20 0.17 0.40 0.02 0.00 0.00 177.57 178.28 1xkq h ILE 126 N 0.89 1.18 -0.42 4.57 2.04 -0.59 -0.95 117.51 124.23 1xkq h ILE 126 Ca 0.24 -0.54 -0.08 0.00 1.00 0.00 0.00 64.86 65.48 1xkq h ILE 126 Cb -0.03 0.84 -0.01 0.00 -0.74 0.00 0.00 36.82 36.88 1xkq h ILE 126 CO -0.04 0.20 -0.04 -0.33 0.00 0.00 0.00 178.15 177.93 1xkq h GLU 127 N 0.47 0.78 -0.47 2.37 5.08 -0.69 -1.21 114.58 120.90 1xkq h GLU 127 Ca 0.13 -0.27 -0.09 0.00 -1.00 0.00 0.00 59.36 58.12 1xkq h GLU 127 Cb 0.16 -0.06 -0.02 0.00 0.50 0.00 0.00 28.75 29.33 1xkq h GLU 127 CO -0.01 0.87 -0.09 0.52 -1.00 0.00 0.00 179.01 179.30 1xkq h MET 128 N 0.61 0.85 0.06 2.33 2.86 -0.88 -0.68 114.93 120.07 1xkq h MET 128 Ca 0.12 -0.28 -0.00 0.00 -2.06 0.00 0.00 59.70 57.47 1xkq h MET 128 Cb 0.55 -0.07 0.00 0.00 0.06 0.00 0.00 31.60 32.14 1xkq h MET 128 CO 0.03 0.90 -0.03 1.15 1.06 0.00 0.00 176.91 180.02 1xkq h THR 129 N 0.77 1.02 -0.62 2.22 2.02 -0.98 -0.79 112.91 116.55 1xkq h THR 129 Ca 0.13 -0.24 -0.04 0.00 0.77 0.00 0.00 66.41 67.03 1xkq h THR 129 Cb 0.58 1.18 -0.03 0.00 -1.74 0.00 0.00 68.15 68.14 1xkq h THR 129 CO 0.04 0.06 0.23 0.11 0.37 0.00 0.00 175.52 176.32 1xkq h LYS 130 N -0.18 0.92 0.00 6.66 1.57 -1.08 -0.89 116.57 123.57 1xkq h LYS 130 Ca -0.01 -0.16 -0.13 0.00 -1.87 0.00 0.00 60.65 58.48 1xkq h LYS 130 Cb 0.16 -0.15 -0.02 0.00 0.08 0.00 0.00 32.23 32.30 1xkq h LYS 130 CO 0.01 0.77 -0.62 0.87 -0.57 0.00 0.00 179.45 179.92 1xkq h LYS 131 N 0.90 0.00 0.00 3.15 1.57 -0.97 -3.20 116.57 118.02 1xkq h LYS 131 Ca 0.21 0.00 -0.09 0.00 -1.87 0.00 0.00 60.65 58.89 1xkq h LYS 131 Cb 0.21 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.51 1xkq h LYS 131 CO -0.01 0.62 -1.21 -0.39 -0.57 0.00 0.00 179.45 177.89 1xkq h VAL 132 N 0.00 0.29 -0.86 0.50 -1.51 -1.00 -3.41 116.25 110.26 1xkq h VAL 132 Ca -0.01 -1.57 0.09 0.00 -1.23 0.00 0.00 66.70 63.99 1xkq h VAL 132 Cb 1.24 1.82 -0.11 0.00 -2.13 0.00 0.00 31.29 32.10 1xkq h VAL 132 CO 0.08 0.16 -0.45 1.17 -1.23 0.00 0.00 177.57 177.30 1xkq n LYS 133 N -2.81 -0.32 0.14 5.19 4.81 -0.35 0.18 118.16 125.00 1xkq n LYS 133 Ca -0.05 1.30 0.16 0.00 -0.87 0.00 0.00 58.31 58.86 1xkq n LYS 133 Cb 0.71 -1.92 0.74 0.00 0.02 0.00 0.00 35.03 34.58 1xkq n LYS 133 CO 0.00 0.00 0.00 -1.00 1.17 0.00 0.00 177.40 177.57 1xkq h PRO 134 N 0.00 0.00 0.00 1.64 0.13 -1.79 0.12 132.00 132.10 1xkq h PRO 134 Ca 0.19 0.00 -0.20 0.00 -0.87 0.00 0.00 66.00 65.12 1xkq h PRO 134 Cb 0.40 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 31.50 1xkq h PRO 134 CO -0.82 0.00 -1.02 0.45 -0.23 0.00 0.00 178.00 176.38 1xkq h HIS 135 N 0.00 0.00 0.00 1.56 3.86 -0.55 -3.03 115.15 116.99 1xkq h HIS 135 Ca 0.13 0.00 -0.16 0.00 -1.16 0.00 0.00 60.37 59.18 1xkq h HIS 135 Cb 0.58 0.00 -0.02 0.00 1.06 0.00 0.00 27.41 29.03 1xkq h HIS 135 CO 0.00 0.86 -0.78 -0.07 0.86 0.00 0.00 177.93 178.79 1xkq h LEU 136 N 0.00 0.00 -0.41 2.43 3.38 -0.23 -2.50 115.31 117.98 1xkq h LEU 136 Ca -0.06 0.00 -0.08 0.00 0.09 0.00 0.00 57.88 57.83 1xkq h LEU 136 Cb 1.71 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 42.44 1xkq h LEU 136 CO 0.10 0.73 -0.04 0.58 0.09 0.00 0.00 178.44 179.91 1xkq h VAL 137 N 0.00 1.27 -0.46 1.22 2.07 -1.06 1.38 116.25 120.66 1xkq h VAL 137 Ca -0.02 -1.09 -0.05 0.00 0.82 0.00 0.00 66.70 66.37 1xkq h VAL 137 Cb 1.57 1.14 -0.02 0.00 -1.52 0.00 0.00 31.29 32.47 1xkq h VAL 137 CO 0.09 0.37 0.11 0.00 0.02 0.00 0.00 177.57 178.16 1xkq h ALA 138 N 0.87 0.61 -0.02 1.67 0.00 -1.51 -3.05 119.26 117.83 1xkq h ALA 138 Ca 0.11 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.82 1xkq h ALA 138 Cb 0.54 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.15 1xkq h ALA 138 CO 0.03 0.30 -0.02 -1.13 0.00 0.00 0.00 179.25 178.43 1xkq n SER 139 N -4.50 1.96 -3.76 0.00 3.41 -0.95 -4.94 113.62 104.85 1xkq n SER 139 Ca 0.01 -1.63 -0.25 0.00 -0.26 0.00 0.00 58.87 56.74 1xkq n SER 139 Cb 0.22 0.01 0.02 0.00 -0.26 0.00 0.00 64.21 64.20 1xkq n SER 139 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 1xkq n LYS 140 N 0.51 -3.46 0.00 4.33 5.02 0.43 -4.95 118.16 120.04 1xkq n LYS 140 Ca 0.17 0.52 0.00 0.00 -2.02 0.00 0.00 58.31 56.98 1xkq n LYS 140 Cb 0.43 -4.76 0.00 0.00 -0.02 0.00 0.00 35.03 30.69 1xkq n LYS 140 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1xkq n GLY 141 N -1.72 -0.70 3.19 0.72 0.00 0.98 -4.70 105.19 102.96 1xkq n GLY 141 Ca -0.25 -1.59 -0.09 0.00 0.00 0.00 0.00 46.02 44.09 1xkq n GLY 141 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1xkq s GLU 142 N 0.00 0.83 -0.02 1.61 2.02 0.21 -2.40 118.70 120.95 1xkq s GLU 142 Ca 0.00 -1.08 0.01 0.00 0.02 0.00 0.00 54.97 53.93 1xkq s GLU 142 Cb 0.00 0.31 0.01 0.00 0.10 0.00 0.00 34.13 34.55 1xkq s GLU 142 CO 0.00 -0.25 -0.04 0.42 0.02 0.00 0.00 175.26 175.41 1xkq s ILE 143 N -3.90 0.42 -0.12 -1.63 1.01 -0.02 -1.40 121.20 115.56 1xkq s ILE 143 Ca 0.08 -0.14 -0.01 0.00 0.00 0.00 0.00 60.65 60.58 1xkq s ILE 143 Cb 0.06 -0.41 0.03 0.00 0.01 0.00 0.00 42.46 42.15 1xkq s ILE 143 CO -0.09 0.16 -0.04 -0.69 0.00 0.00 0.00 174.94 174.28 1xkq s VAL 144 N 0.39 0.78 0.20 2.92 1.01 -0.67 -0.53 120.40 124.48 1xkq s VAL 144 Ca -0.04 -0.23 0.05 0.00 0.00 0.00 0.00 61.98 61.75 1xkq s VAL 144 Cb -0.08 -0.91 -0.03 0.00 0.00 0.00 0.00 36.38 35.35 1xkq s VAL 144 CO -0.00 0.24 0.26 0.20 0.00 0.00 0.00 175.10 175.79 1xkq s ASN 145 N 1.80 6.01 -0.31 3.32 0.01 -0.41 -1.25 114.94 124.11 1xkq s ASN 145 Ca 0.04 0.00 -0.03 0.00 -0.71 0.00 0.00 52.86 52.16 1xkq s ASN 145 Cb -0.13 -1.70 0.05 0.00 0.41 0.00 0.00 41.25 39.87 1xkq s ASN 145 CO -0.07 0.01 0.02 -0.69 -1.51 0.00 0.00 177.10 174.86 1xkq s VAL 146 N -1.88 3.13 0.00 1.60 1.01 -0.68 -1.33 120.40 122.25 1xkq s VAL 146 Ca 0.33 -1.35 0.00 0.00 0.00 0.00 0.00 61.98 60.97 1xkq s VAL 146 Cb -0.10 -2.80 0.00 0.00 0.00 0.00 0.00 36.38 33.48 1xkq s VAL 146 CO 0.27 -0.13 0.00 -0.24 0.00 0.00 0.00 175.10 175.00 1xkq n SER 147 N 4.66 0.00 -3.61 3.32 2.88 0.25 -4.88 113.62 116.23 1xkq n SER 147 Ca -0.13 0.00 -0.05 0.00 -1.33 0.00 0.00 58.87 57.36 1xkq n SER 147 Cb 0.44 0.00 -0.04 0.00 -0.75 0.00 0.00 64.21 63.85 1xkq n SER 147 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 1xkq s SER 148 N -1.00 -0.17 0.31 -3.46 0.15 -1.26 -4.24 113.70 104.04 1xkq s SER 148 Ca 0.00 0.15 0.24 0.00 0.70 0.00 0.00 55.95 57.04 1xkq s SER 148 Cb 0.00 0.14 1.12 0.00 -1.71 0.00 0.00 66.02 65.57 1xkq s SER 148 CO 0.00 -0.17 1.73 0.16 1.20 0.00 0.00 173.24 176.15 1xkq h ILE 149 N 2.21 0.00 0.00 6.45 3.07 -1.69 -1.54 117.51 126.00 1xkq h ILE 149 Ca -0.12 -0.15 0.00 0.00 1.55 0.00 0.00 64.86 66.14 1xkq h ILE 149 Cb 1.18 0.81 0.00 0.00 -0.27 0.00 0.00 36.82 38.54 1xkq h ILE 149 CO 0.25 0.00 0.00 0.52 -1.05 0.00 0.00 178.15 177.87 1xkq n VAL 150 N -2.32 1.15 0.30 0.16 0.31 -1.26 -2.28 118.33 114.39 1xkq n VAL 150 Ca 0.01 0.33 0.17 0.00 -0.01 0.00 0.00 64.34 64.83 1xkq n VAL 150 Cb 0.15 -1.19 0.67 0.00 -0.91 0.00 0.00 33.84 32.56 1xkq n VAL 150 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1xkq h ALA 151 N 2.32 1.00 0.00 3.52 0.00 -1.45 -3.43 119.26 121.22 1xkq h ALA 151 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1xkq h ALA 151 Cb 0.21 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.00 1xkq h ALA 151 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.66 1xkq n GLY 152 N 0.00 0.96 0.03 0.00 0.00 -0.97 -4.33 105.19 100.88 1xkq n GLY 152 Ca 0.01 -2.02 0.10 0.00 0.00 0.00 0.00 46.02 44.11 1xkq n GLY 152 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1xkq n PRO 153 N -1.41 0.05 -2.82 1.61 -0.04 -1.26 -4.84 135.00 126.28 1xkq n PRO 153 Ca 0.00 0.21 -0.33 0.00 -0.04 0.00 0.00 63.50 63.33 1xkq n PRO 153 Cb 0.00 -1.58 -0.07 0.00 -0.04 0.00 0.00 33.50 31.81 1xkq n PRO 153 CO 0.00 0.00 0.00 -0.65 -0.04 0.00 0.00 175.50 174.81 1xkq s GLN 154 N -3.06 4.25 0.54 0.54 -0.21 -1.26 -5.03 119.66 115.44 1xkq s GLN 154 Ca 0.09 1.13 -0.19 0.00 0.02 0.00 0.00 55.36 56.40 1xkq s GLN 154 Cb 0.12 -2.23 -0.06 0.00 1.00 0.00 0.00 33.01 31.84 1xkq s GLN 154 CO 0.38 -0.00 1.12 0.00 -2.12 0.00 0.00 175.29 174.67 1xkq s ALA 155 N -2.13 2.70 -0.52 6.09 0.00 -1.26 -4.87 121.76 121.77 1xkq s ALA 155 Ca 0.61 0.80 0.04 0.00 0.00 0.00 0.00 51.96 53.41 1xkq s ALA 155 Cb -0.10 -3.35 0.17 0.00 0.00 0.00 0.00 23.12 19.84 1xkq s ALA 155 CO 0.14 -0.75 0.38 -0.65 0.00 0.00 0.00 175.76 174.88 1xkq s GLN 156 N -3.31 1.51 0.28 0.00 -1.52 -1.26 -5.00 119.66 110.36 1xkq s GLN 156 Ca 0.72 -2.54 0.23 0.00 -1.95 0.00 0.00 55.36 51.83 1xkq s GLN 156 Cb -0.23 -2.24 1.05 0.00 -0.22 0.00 0.00 33.01 31.37 1xkq s GLN 156 CO 0.27 -1.32 1.70 -0.35 -0.25 0.00 0.00 175.29 175.34 1xkq n PRO 157 N 2.62 0.18 -0.02 2.91 -0.04 -1.26 -3.73 135.00 135.66 1xkq n PRO 157 Ca 0.24 0.49 -0.01 0.00 -0.04 0.00 0.00 63.50 64.17 1xkq n PRO 157 Cb 0.42 -1.91 -0.00 0.00 -0.04 0.00 0.00 33.50 31.96 1xkq n PRO 157 CO 0.00 0.00 0.00 -0.44 -0.04 0.00 0.00 175.50 175.02 1xkq h ASP 158 N 0.00 0.00 -3.19 3.54 3.32 -1.94 -3.04 116.42 115.11 1xkq h ASP 158 Ca 0.00 0.00 -0.78 0.00 0.02 0.00 0.00 57.03 56.27 1xkq h ASP 158 Cb 0.26 0.00 -0.30 0.00 0.22 0.00 0.00 39.33 39.51 1xkq h ASP 158 CO 0.00 0.26 0.46 0.49 -1.72 0.00 0.00 179.24 178.72 1xkq n PHE 159 N -3.09 3.83 -0.30 4.55 3.01 -1.26 -0.10 117.46 124.10 1xkq n PHE 159 Ca -0.02 -3.42 0.02 0.00 1.01 0.00 0.00 57.45 55.03 1xkq n PHE 159 Cb 0.08 -1.38 0.15 0.00 -0.01 0.00 0.00 39.48 38.32 1xkq n PHE 159 CO 0.00 0.00 0.00 -0.07 1.01 0.00 0.00 176.76 177.70 1xkq h LEU 160 N 5.92 0.77 -0.74 4.37 3.38 -1.81 -2.81 115.31 124.38 1xkq h LEU 160 Ca 0.19 0.03 -0.12 0.00 0.09 0.00 0.00 57.88 58.06 1xkq h LEU 160 Cb 0.75 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 41.36 1xkq h LEU 160 CO 1.12 0.47 -0.36 1.88 0.09 0.00 0.00 178.44 181.63 1xkq h TYR 161 N 0.89 0.63 -0.44 1.13 0.05 -1.90 -1.87 116.97 115.46 1xkq h TYR 161 Ca 0.38 -0.17 -0.11 0.00 0.05 0.00 0.00 58.73 58.89 1xkq h TYR 161 Cb 0.25 -0.14 -0.02 0.00 1.01 0.00 0.00 36.73 37.84 1xkq h TYR 161 CO -0.04 0.83 -0.16 -0.92 -1.05 0.00 0.00 178.16 176.82 1xkq h TYR 162 N 0.45 0.94 -0.11 4.88 3.20 -1.90 -2.38 116.97 122.04 1xkq h TYR 162 Ca 0.05 -0.19 -0.02 0.00 3.14 0.00 0.00 58.73 61.70 1xkq h TYR 162 Cb 0.84 -0.23 -0.00 0.00 1.54 0.00 0.00 36.73 38.88 1xkq h TYR 162 CO 0.03 0.93 0.00 0.00 -1.64 0.00 0.00 178.16 177.49 1xkq h ALA 163 N 1.07 0.15 0.00 1.82 0.00 -1.24 -2.54 119.26 118.52 1xkq h ALA 163 Ca 0.11 -0.18 -0.04 0.00 0.00 0.00 0.00 54.91 54.80 1xkq h ALA 163 Cb 0.67 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.42 1xkq h ALA 163 CO 0.05 -0.17 -0.20 -0.84 0.00 0.00 0.00 179.25 178.09 1xkq h ILE 164 N -0.07 0.49 -0.25 0.00 3.07 -1.36 -0.98 117.51 118.41 1xkq h ILE 164 Ca 0.03 -1.07 -0.18 0.00 1.55 0.00 0.00 64.86 65.20 1xkq h ILE 164 Cb 0.35 1.75 0.00 0.00 -0.27 0.00 0.00 36.82 38.65 1xkq h ILE 164 CO 0.01 0.20 -0.54 0.00 -1.05 0.00 0.00 178.15 176.76 1xkq h ALA 165 N 1.80 0.40 -0.24 0.16 0.00 -1.37 -1.30 119.26 118.70 1xkq h ALA 165 Ca -0.00 -0.51 -0.15 0.00 0.00 0.00 0.00 54.91 54.25 1xkq h ALA 165 Cb 0.74 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.46 1xkq h ALA 165 CO 0.03 0.61 -0.47 0.87 0.00 0.00 0.00 179.25 180.29 1xkq h LYS 166 N 0.55 0.63 -0.51 0.00 1.79 -1.09 -0.32 116.57 117.62 1xkq h LYS 166 Ca 0.00 -0.36 -0.05 0.00 -2.18 0.00 0.00 60.65 58.07 1xkq h LYS 166 Cb 1.15 0.02 -0.02 0.00 -1.58 0.00 0.00 32.23 31.80 1xkq h LYS 166 CO 0.12 0.96 0.10 0.00 -1.08 0.00 0.00 179.45 179.56 1xkq h ALA 167 N 0.98 1.23 -0.35 3.86 0.00 -1.12 -0.69 119.26 123.16 1xkq h ALA 167 Ca 0.03 -0.21 -0.14 0.00 0.00 0.00 0.00 54.91 54.59 1xkq h ALA 167 Cb 1.00 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.58 1xkq h ALA 167 CO 0.09 0.53 -0.36 0.00 0.00 0.00 0.00 179.25 179.51 1xkq h ALA 168 N 1.36 0.70 -0.74 0.00 0.00 -0.96 -3.02 119.26 116.60 1xkq h ALA 168 Ca 0.16 -0.44 0.03 0.00 0.00 0.00 0.00 54.91 54.67 1xkq h ALA 168 Cb 0.31 -0.13 -0.05 0.00 0.00 0.00 0.00 17.79 17.92 1xkq h ALA 168 CO 0.00 0.66 0.47 1.25 0.00 0.00 0.00 179.25 181.63 1xkq h LEU 169 N 0.67 0.76 -0.65 0.00 6.46 -0.21 -0.27 115.31 122.07 1xkq h LEU 169 Ca 0.06 0.00 -0.01 0.00 -0.12 0.00 0.00 57.88 57.82 1xkq h LEU 169 Cb 0.91 -0.16 -0.03 0.00 -0.73 0.00 0.00 40.66 40.65 1xkq h LEU 169 CO 0.08 0.52 0.37 0.44 -0.62 0.00 0.00 178.44 179.23 1xkq h ASP 170 N 0.90 0.80 0.65 1.25 3.32 -1.03 0.18 116.42 122.49 1xkq h ASP 170 Ca 0.30 -0.08 -0.11 0.00 0.02 0.00 0.00 57.03 57.16 1xkq h ASP 170 Cb 0.04 -0.20 -0.02 0.00 0.22 0.00 0.00 39.33 39.37 1xkq h ASP 170 CO -0.12 0.65 -0.51 -0.61 -1.72 0.00 0.00 179.24 176.93 1xkq h GLN 171 N 0.89 0.00 -0.42 3.56 5.75 -1.39 -1.47 115.11 122.04 1xkq h GLN 171 Ca 0.23 0.00 -0.14 0.00 -0.15 0.00 0.00 58.65 58.59 1xkq h GLN 171 Cb 0.02 0.00 -0.01 0.00 1.07 0.00 0.00 27.48 28.56 1xkq h GLN 171 CO -0.04 0.51 -0.29 -0.92 -2.65 0.00 0.00 178.83 175.44 1xkq h TYR 172 N 0.00 1.09 -0.05 3.99 3.20 -0.29 -0.64 116.97 124.27 1xkq h TYR 172 Ca -0.01 -0.30 -0.00 0.00 3.14 0.00 0.00 58.73 61.57 1xkq h TYR 172 Cb 0.97 -0.24 -0.00 0.00 1.54 0.00 0.00 36.73 39.00 1xkq h TYR 172 CO 0.00 1.12 0.03 1.15 -1.64 0.00 0.00 178.16 178.82 1xkq h THR 173 N 0.76 1.07 -0.46 1.81 2.02 -0.36 0.00 112.91 117.75 1xkq h THR 173 Ca 0.08 -0.21 0.01 0.00 0.77 0.00 0.00 66.41 67.06 1xkq h THR 173 Cb 0.88 1.11 -0.02 0.00 -1.74 0.00 0.00 68.15 68.37 1xkq h THR 173 CO 0.08 0.06 0.30 0.03 0.37 0.00 0.00 175.52 176.36 1xkq h ARG 174 N 0.01 0.60 -0.21 6.66 3.08 -1.20 -1.83 114.38 121.48 1xkq h ARG 174 Ca 0.02 -0.04 -0.11 0.00 0.07 0.00 0.00 59.98 59.92 1xkq h ARG 174 Cb 0.07 -0.13 -0.00 0.00 0.08 0.00 0.00 29.97 29.99 1xkq h ARG 174 CO -0.00 0.40 -0.31 0.77 -1.07 0.00 0.00 179.97 179.75 1xkq h SER 175 N 0.62 0.63 0.49 7.04 0.02 -0.97 -2.77 113.55 118.61 1xkq h SER 175 Ca 0.17 -0.52 -0.08 0.00 -0.84 0.00 0.00 61.79 60.52 1xkq h SER 175 Cb -0.06 -0.18 -0.01 0.00 0.14 0.00 0.00 62.40 62.29 1xkq h SER 175 CO -0.05 1.03 -0.38 0.71 -1.14 0.00 0.00 176.83 177.00 1xkq h THR 176 N 0.25 1.15 -0.44 -2.27 1.35 -1.00 -1.81 112.91 110.15 1xkq h THR 176 Ca 0.02 -1.37 -0.03 0.00 -0.55 0.00 0.00 66.41 64.48 1xkq h THR 176 Cb 0.89 1.76 -0.02 0.00 -1.73 0.00 0.00 68.15 69.06 1xkq h THR 176 CO 0.07 0.38 0.16 0.00 -0.25 0.00 0.00 175.52 175.88 1xkq h ALA 177 N 1.62 0.57 -0.33 6.62 0.00 -1.23 0.20 119.26 126.71 1xkq h ALA 177 Ca -0.00 -0.15 -0.17 0.00 0.00 0.00 0.00 54.91 54.58 1xkq h ALA 177 Cb 0.73 -0.17 -0.00 0.00 0.00 0.00 0.00 17.79 18.35 1xkq h ALA 177 CO 0.05 0.19 -0.45 0.82 0.00 0.00 0.00 179.25 179.86 1xkq h ILE 178 N 0.56 1.28 -0.18 0.00 1.08 -1.32 -2.18 117.51 116.75 1xkq h ILE 178 Ca 0.14 -1.63 -0.04 0.00 -0.39 0.00 0.00 64.86 62.95 1xkq h ILE 178 Cb 0.22 1.53 -0.01 0.00 -3.07 0.00 0.00 36.82 35.49 1xkq h ILE 178 CO -0.01 0.54 -0.05 -0.78 -0.69 0.00 0.00 178.15 177.16 1xkq h ASP 179 N 0.67 0.34 0.90 1.72 3.58 -1.18 -3.18 116.42 119.27 1xkq h ASP 179 Ca 0.04 -0.37 0.00 0.00 0.42 0.00 0.00 57.03 57.12 1xkq h ASP 179 Cb 1.05 -0.09 0.00 0.00 1.72 0.00 0.00 39.33 42.01 1xkq h ASP 179 CO 0.11 0.63 0.00 0.18 -2.88 0.00 0.00 179.24 177.28 1xkq n LEU 180 N -4.66 0.00 0.27 2.28 4.77 0.70 -3.60 117.00 116.77 1xkq n LEU 180 Ca -0.05 0.47 0.14 0.00 -0.03 0.00 0.00 56.01 56.54 1xkq n LEU 180 Cb 0.27 -0.47 0.76 0.00 -2.33 0.00 0.00 43.42 41.64 1xkq n LEU 180 CO 0.38 -0.02 0.99 0.00 -1.33 0.00 0.00 177.39 177.41 1xkq h ALA 181 N 3.00 1.27 0.00 -1.18 0.00 -1.37 -1.77 119.26 119.21 1xkq h ALA 181 Ca 0.00 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.82 1xkq h ALA 181 Cb 0.45 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.22 1xkq h ALA 181 CO 0.00 0.13 0.00 1.57 0.00 0.00 0.00 179.25 180.95 1xkq h LYS 182 N 0.00 0.00 -0.36 0.00 2.10 -1.74 -2.15 116.57 114.42 1xkq h LYS 182 Ca -0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 1xkq h LYS 182 Cb 0.31 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.64 1xkq h LYS 182 CO 0.01 0.00 0.00 1.19 -2.00 0.00 0.00 179.45 178.65 1xkq n PHE 183 N -2.51 0.47 -0.82 0.07 3.72 -0.68 -4.95 117.46 112.76 1xkq n PHE 183 Ca 0.00 -0.31 0.00 0.00 -0.05 0.00 0.00 57.45 57.09 1xkq n PHE 183 Cb 0.18 -0.01 0.00 0.00 -0.94 0.00 0.00 39.48 38.71 1xkq n PHE 183 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1xkq n GLY 184 N 1.09 0.56 3.85 1.37 0.00 -0.81 -4.67 105.19 106.58 1xkq n GLY 184 Ca 0.16 -0.28 -0.35 0.00 0.00 0.00 0.00 46.02 45.55 1xkq n GLY 184 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1xkq s ILE 185 N -2.00 4.89 -0.19 -0.61 1.01 -1.16 -4.59 121.20 118.55 1xkq s ILE 185 Ca 0.00 0.76 0.01 0.00 0.00 0.00 0.00 60.65 61.42 1xkq s ILE 185 Cb 0.00 -3.72 0.02 0.00 0.01 0.00 0.00 42.46 38.77 1xkq s ILE 185 CO 0.00 0.25 -0.17 -0.13 0.00 0.00 0.00 174.94 174.89 1xkq s ARG 186 N -1.96 2.97 -0.14 2.79 0.52 -1.01 -4.01 118.95 118.11 1xkq s ARG 186 Ca 0.37 -0.85 -0.02 0.00 -0.52 0.00 0.00 55.73 54.70 1xkq s ARG 186 Cb -0.15 -2.66 -0.02 0.00 0.52 0.00 0.00 34.95 32.64 1xkq s ARG 186 CO 0.19 -0.25 -0.07 0.08 0.02 0.00 0.00 175.30 175.28 1xkq s VAL 187 N 1.30 3.64 0.14 3.52 1.01 -1.26 -0.84 120.40 127.91 1xkq s VAL 187 Ca 0.04 -0.45 0.00 0.00 0.00 0.00 0.00 61.98 61.57 1xkq s VAL 187 Cb -0.14 -2.57 -0.00 0.00 0.00 0.00 0.00 36.38 33.67 1xkq s VAL 187 CO -0.11 0.51 0.17 0.59 0.00 0.00 0.00 175.10 176.27 1xkq n ASN 188 N 3.37 -0.48 -3.53 3.32 3.02 0.31 -0.69 115.26 120.58 1xkq n ASN 188 Ca -0.18 -1.78 -0.07 0.00 -0.03 0.00 0.00 54.58 52.53 1xkq n ASN 188 Cb 0.53 0.92 -0.00 0.00 -0.61 0.00 0.00 39.78 40.61 1xkq n ASN 188 CO 0.00 0.00 0.00 -0.55 -2.62 0.00 0.00 177.26 174.09 1xkq s SER 189 N -1.87 -0.16 -0.01 6.41 0.15 0.84 -1.28 113.70 117.77 1xkq s SER 189 Ca 0.12 -0.77 0.01 0.00 0.70 0.00 0.00 55.95 56.01 1xkq s SER 189 Cb -0.00 0.74 0.00 0.00 -1.71 0.00 0.00 66.02 65.06 1xkq s SER 189 CO 0.09 -1.41 -0.02 0.54 1.20 0.00 0.00 173.24 173.64 1xkq s VAL 190 N -3.29 0.16 -0.44 4.45 0.11 -0.44 -1.36 120.40 119.59 1xkq s VAL 190 Ca 0.13 -0.06 0.01 0.00 -2.93 0.00 0.00 61.98 59.13 1xkq s VAL 190 Cb -0.05 -0.16 0.12 0.00 -1.53 0.00 0.00 36.38 34.75 1xkq s VAL 190 CO 0.08 0.06 0.19 -0.44 -3.33 0.00 0.00 175.10 171.66 1xkq s SER 191 N 0.13 4.89 0.60 3.54 0.01 0.14 -0.58 113.70 122.43 1xkq s SER 191 Ca -0.01 -2.39 -0.16 0.00 1.31 0.00 0.00 55.95 54.70 1xkq s SER 191 Cb -0.03 -1.72 -0.03 0.00 0.21 0.00 0.00 66.02 64.45 1xkq s SER 191 CO -0.00 -0.40 1.08 -2.84 0.41 0.00 0.00 173.24 171.48 1xkq s PRO 192 N 0.60 3.21 0.00 12.44 0.02 -1.26 -1.38 135.00 148.63 1xkq s PRO 192 Ca 0.12 1.30 0.00 0.00 0.02 0.00 0.00 61.00 62.44 1xkq s PRO 192 Cb -0.22 -2.01 0.00 0.00 0.02 0.00 0.00 34.50 32.29 1xkq s PRO 192 CO -0.05 -0.91 0.00 0.41 -0.33 0.00 0.00 177.00 176.12 1xkq n GLY 193 N -0.71 1.86 3.72 0.52 0.00 0.54 -2.56 105.19 108.56 1xkq n GLY 193 Ca 0.09 -1.86 -0.42 0.00 0.00 0.00 0.00 46.02 43.83 1xkq n GLY 193 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 1xkq s MET 194 N 3.88 4.30 -0.03 1.61 1.75 -1.26 -4.93 119.30 124.62 1xkq s MET 194 Ca 0.00 2.14 0.01 0.00 -1.25 0.00 0.00 55.69 56.58 1xkq s MET 194 Cb 0.00 -3.23 0.02 0.00 2.84 0.00 0.00 34.83 34.46 1xkq s MET 194 CO 0.00 -0.48 -0.02 0.54 -0.65 0.00 0.00 175.02 174.41 1xkq s VAL 195 N 1.13 0.32 -0.43 10.11 0.11 -1.26 -2.16 120.40 128.22 1xkq s VAL 195 Ca 0.66 -0.03 -0.28 0.00 -2.93 0.00 0.00 61.98 59.39 1xkq s VAL 195 Cb -0.38 -0.36 0.00 0.00 -1.53 0.00 0.00 36.38 34.11 1xkq s VAL 195 CO 0.30 0.16 1.53 -1.61 -3.33 0.00 0.00 175.10 172.16 1xkq s GLU 196 N 0.76 3.41 0.00 1.54 2.02 -0.41 -4.87 118.70 121.15 1xkq s GLU 196 Ca -0.08 0.95 0.00 0.00 0.02 0.00 0.00 54.97 55.86 1xkq s GLU 196 Cb -0.12 -4.11 0.00 0.00 0.10 0.00 0.00 34.13 30.01 1xkq s GLU 196 CO -0.01 -1.77 0.00 0.25 0.02 0.00 0.00 175.26 173.75 1xkq n THR 197 N 7.14 0.00 0.85 3.63 -2.24 -1.26 -4.34 114.28 118.06 1xkq n THR 197 Ca 0.18 0.00 0.12 0.00 -2.27 0.00 0.00 64.05 62.08 1xkq n THR 197 Cb 0.48 0.00 0.17 0.00 -2.10 0.00 0.00 70.33 68.88 1xkq n THR 197 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1xkq n GLY 198 N 0.00 1.12 0.39 3.38 0.00 -1.26 -4.60 105.19 104.22 1xkq n GLY 198 Ca 0.00 -0.68 -0.10 0.00 0.00 0.00 0.00 46.02 45.24 1xkq n GLY 198 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 1xkq h PHE 199 N 4.42 -1.24 -0.81 1.61 3.57 -1.96 0.21 116.94 122.74 1xkq h PHE 199 Ca 0.00 0.07 -0.03 0.00 3.53 0.00 0.00 57.97 61.54 1xkq h PHE 199 Cb 0.95 0.60 -0.04 0.00 2.79 0.00 0.00 35.95 40.25 1xkq h PHE 199 CO 0.07 -0.44 0.40 1.79 -2.23 0.00 0.00 178.31 177.91 1xkq h THR 200 N -0.34 1.25 -0.48 4.41 1.35 -1.93 -2.55 112.91 114.62 1xkq h THR 200 Ca 0.13 -0.68 -0.01 0.00 -0.55 0.00 0.00 66.41 65.30 1xkq h THR 200 Cb 0.58 0.19 -0.02 0.00 -1.73 0.00 0.00 68.15 67.17 1xkq h THR 200 CO -0.56 0.29 0.26 -1.13 -0.25 0.00 0.00 175.52 174.13 1xkq h ASN 201 N 1.15 0.61 -0.19 5.36 -1.24 -1.53 -0.82 115.58 118.92 1xkq h ASN 201 Ca 0.28 -0.10 0.06 0.00 0.71 0.00 0.00 56.30 57.25 1xkq h ASN 201 Cb 0.09 -0.16 -0.01 0.00 0.73 0.00 0.00 38.32 38.98 1xkq h ASN 201 CO -0.04 0.53 0.21 0.00 -1.29 0.00 0.00 177.43 176.85 1xkq h ALA 202 N 1.10 1.82 0.00 1.57 0.00 -0.59 0.22 119.26 123.39 1xkq h ALA 202 Ca 0.17 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.07 1xkq h ALA 202 Cb 0.06 0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.87 1xkq h ALA 202 CO -0.03 -0.31 -0.12 0.52 0.00 0.00 0.00 179.25 179.31 1xkq h MET 203 N 0.00 0.00 0.00 0.00 2.86 -0.82 -3.47 114.93 113.49 1xkq h MET 203 Ca 0.09 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.73 1xkq h MET 203 Cb 0.52 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.18 1xkq h MET 203 CO -0.00 0.00 0.00 0.41 1.06 0.00 0.00 176.91 178.38 1xkq n GLY 204 N 1.16 0.94 3.68 8.32 0.00 0.78 -4.76 105.19 115.31 1xkq n GLY 204 Ca 0.04 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.63 1xkq n GLY 204 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1xkq s MET 205 N -0.37 4.40 0.52 1.61 -1.94 -0.96 -5.01 119.30 117.55 1xkq s MET 205 Ca 0.00 1.42 -0.22 0.00 -1.71 0.00 0.00 55.69 55.18 1xkq s MET 205 Cb 0.00 -3.56 -0.07 0.00 2.01 0.00 0.00 34.83 33.22 1xkq s MET 205 CO 0.00 -0.36 1.16 -2.30 -0.01 0.00 0.00 175.02 173.51 1xkq n PRO 206 N 5.18 1.44 -0.25 2.03 -0.02 -1.26 -4.17 135.00 137.94 1xkq n PRO 206 Ca 0.09 0.53 0.13 0.00 -2.02 0.00 0.00 63.50 62.23 1xkq n PRO 206 Cb 0.48 -2.32 0.40 0.00 -0.02 0.00 0.00 33.50 32.04 1xkq n PRO 206 CO 0.00 0.00 0.00 -0.44 1.98 0.00 0.00 175.50 177.04 1xkq h ASP 207 N 1.29 0.60 -0.43 2.55 3.32 -1.97 -0.94 116.42 120.84 1xkq h ASP 207 Ca -0.48 0.04 -0.04 0.00 0.02 0.00 0.00 57.03 56.56 1xkq h ASP 207 Cb 1.33 -0.08 -0.02 0.00 0.22 0.00 0.00 39.33 40.78 1xkq h ASP 207 CO 0.56 0.30 0.10 1.56 -1.72 0.00 0.00 179.24 180.04 1xkq h GLN 208 N 0.64 0.69 -0.26 3.56 4.20 -2.00 -2.00 115.11 119.94 1xkq h GLN 208 Ca 0.43 -0.17 -0.00 0.00 0.06 0.00 0.00 58.65 58.97 1xkq h GLN 208 Cb 0.75 -0.09 -0.01 0.00 0.30 0.00 0.00 27.48 28.43 1xkq h GLN 208 CO -0.19 0.70 0.15 0.00 -0.67 0.00 0.00 178.83 178.82 1xkq h ALA 209 N 0.96 0.33 -0.64 3.87 0.00 -1.57 -1.73 119.26 120.48 1xkq h ALA 209 Ca 0.13 -0.05 0.09 0.00 0.00 0.00 0.00 54.91 55.08 1xkq h ALA 209 Cb 0.33 -0.10 -0.07 0.00 0.00 0.00 0.00 17.79 17.94 1xkq h ALA 209 CO 0.00 -0.15 0.27 0.77 0.00 0.00 0.00 179.25 180.14 1xkq h SER 210 N 0.32 0.31 -0.48 0.00 0.02 -1.10 0.26 113.55 112.88 1xkq h SER 210 Ca 0.09 0.07 -0.02 0.00 -0.84 0.00 0.00 61.79 61.09 1xkq h SER 210 Cb 0.03 0.03 -0.03 0.00 0.14 0.00 0.00 62.40 62.58 1xkq h SER 210 CO -0.02 0.18 0.24 -0.61 -1.14 0.00 0.00 176.83 175.48 1xkq h GLN 211 N 0.47 0.73 -0.34 3.45 5.75 -1.00 0.32 115.11 124.49 1xkq h GLN 211 Ca 0.32 -0.09 -0.13 0.00 -0.15 0.00 0.00 58.65 58.60 1xkq h GLN 211 Cb 0.38 -0.14 -0.01 0.00 1.07 0.00 0.00 27.48 28.78 1xkq h GLN 211 CO -0.29 0.58 -0.31 -0.22 -2.65 0.00 0.00 178.83 175.93 1xkq h LYS 212 N 0.73 0.75 -0.02 1.69 3.11 -0.05 -1.03 116.57 121.73 1xkq h LYS 212 Ca 0.18 -0.34 -0.00 0.00 -2.81 0.00 0.00 60.65 57.68 1xkq h LYS 212 Cb 0.10 -0.01 -0.00 0.00 -1.00 0.00 0.00 32.23 31.31 1xkq h LYS 212 CO -0.02 0.96 0.00 0.35 -2.81 0.00 0.00 179.45 177.93 1xkq h PHE 213 N 0.63 0.04 -0.12 1.91 3.57 0.83 -1.32 116.94 122.49 1xkq h PHE 213 Ca 0.07 -0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.56 1xkq h PHE 213 Cb 0.84 -0.01 -0.01 0.00 2.79 0.00 0.00 35.95 39.56 1xkq h PHE 213 CO 0.04 0.31 0.07 1.88 -2.23 0.00 0.00 178.31 178.38 1xkq h TYR 214 N -0.23 0.15 -0.50 0.41 0.05 -0.34 -0.65 116.97 115.86 1xkq h TYR 214 Ca 0.01 0.00 0.02 0.00 0.05 0.00 0.00 58.73 58.81 1xkq h TYR 214 Cb 0.29 -0.05 -0.03 0.00 1.01 0.00 0.00 36.73 37.95 1xkq h TYR 214 CO 0.02 0.12 0.30 -0.91 -1.05 0.00 0.00 178.16 176.64 1xkq h ASN 215 N 0.14 0.48 -0.26 3.88 2.35 -1.18 0.27 115.58 121.26 1xkq h ASN 215 Ca 0.04 0.00 -0.02 0.00 -0.55 0.00 0.00 56.30 55.78 1xkq h ASN 215 Cb 0.01 -0.10 -0.01 0.00 0.05 0.00 0.00 38.32 38.27 1xkq h ASN 215 CO -0.01 0.34 0.10 0.15 -1.65 0.00 0.00 177.43 176.36 1xkq h PHE 216 N 0.60 0.41 -0.44 1.19 3.04 -1.06 -1.21 116.94 119.46 1xkq h PHE 216 Ca 0.20 -0.03 0.00 0.00 3.98 0.00 0.00 57.97 62.12 1xkq h PHE 216 Cb 0.01 -0.12 -0.02 0.00 2.56 0.00 0.00 35.95 38.38 1xkq h PHE 216 CO -0.06 0.43 0.29 0.52 -2.02 0.00 0.00 178.31 177.46 1xkq h MET 217 N 0.27 0.58 -0.03 1.11 2.86 -0.83 -2.67 114.93 116.22 1xkq h MET 217 Ca 0.09 -0.04 -0.09 0.00 -2.06 0.00 0.00 59.70 57.60 1xkq h MET 217 Cb 0.20 -0.13 -0.01 0.00 0.06 0.00 0.00 31.60 31.72 1xkq h MET 217 CO -0.01 0.40 -0.41 0.00 1.06 0.00 0.00 176.91 177.95 1xkq h ALA 218 N 1.15 1.27 -0.01 6.32 0.00 -0.85 -3.03 119.26 124.11 1xkq h ALA 218 Ca 0.16 -0.38 0.00 0.00 0.00 0.00 0.00 54.91 54.69 1xkq h ALA 218 Cb -0.06 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.66 1xkq h ALA 218 CO -0.03 0.53 -0.21 -1.13 0.00 0.00 0.00 179.25 178.41 1xkq n SER 219 N -4.05 0.99 -4.27 0.00 3.41 -0.47 -4.10 113.62 105.13 1xkq n SER 219 Ca -0.02 -0.90 -0.36 0.00 -0.26 0.00 0.00 58.87 57.33 1xkq n SER 219 Cb 0.45 0.09 -0.13 0.00 -0.26 0.00 0.00 64.21 64.35 1xkq n SER 219 CO 0.00 0.00 0.00 -1.00 -0.16 0.00 0.00 175.04 173.88 1xkq s HIS 220 N -2.45 3.11 0.41 7.33 4.02 -1.02 -5.00 115.29 121.70 1xkq s HIS 220 Ca 0.26 -1.30 0.11 0.00 1.02 0.00 0.00 55.06 55.16 1xkq s HIS 220 Cb 0.20 -2.15 0.94 0.00 -1.02 0.00 0.00 32.58 30.55 1xkq s HIS 220 CO 0.49 -0.66 1.97 1.57 1.02 0.00 0.00 174.74 179.14 1xkq h LYS 221 N 8.11 0.50 0.00 1.40 2.10 -1.85 0.17 116.57 127.01 1xkq h LYS 221 Ca -0.32 -0.03 0.00 0.00 -2.00 0.00 0.00 60.65 58.30 1xkq h LYS 221 Cb 1.11 -0.11 0.00 0.00 -0.90 0.00 0.00 32.23 32.33 1xkq h LYS 221 CO 0.59 0.33 0.00 -0.85 -2.00 0.00 0.00 179.45 177.51 1xkq n GLU 222 N -4.48 0.18 -0.09 0.07 0.00 -1.26 -2.32 120.64 112.74 1xkq n GLU 222 Ca 0.10 0.33 -0.10 0.00 0.00 0.00 0.00 57.16 57.49 1xkq n GLU 222 Cb 0.33 -1.79 -0.04 0.00 0.00 0.00 0.00 31.44 29.94 1xkq n GLU 222 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 1xkq s ILE 224 N -2.49 0.68 0.60 0.00 1.01 -0.40 -4.31 121.20 116.29 1xkq s ILE 224 Ca -0.22 -2.00 0.28 0.00 0.00 0.00 0.00 60.65 58.71 1xkq s ILE 224 Cb 0.04 -1.49 0.38 0.00 0.01 0.00 0.00 42.46 41.40 1xkq s ILE 224 CO 0.34 -0.93 1.76 -0.65 0.00 0.00 0.00 174.94 175.47 1xkq h PRO 225 N 7.00 0.00 0.00 2.79 0.11 -1.36 -0.29 132.00 140.26 1xkq h PRO 225 Ca 0.01 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.12 1xkq h PRO 225 Cb 0.96 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.07 1xkq h PRO 225 CO 0.37 0.00 0.00 0.97 -0.21 0.00 0.00 178.00 179.13 1xkq h ILE 226 N 0.00 0.00 -0.00 4.15 6.09 -1.68 -3.47 117.51 122.59 1xkq h ILE 226 Ca 0.26 -0.40 -0.00 0.00 -1.37 0.00 0.00 64.86 63.35 1xkq h ILE 226 Cb 1.54 1.28 -0.00 0.00 0.47 0.00 0.00 36.82 40.11 1xkq h ILE 226 CO -0.00 0.00 -0.00 0.61 -3.07 0.00 0.00 178.15 175.69 1xkq n GLY 227 N 0.58 0.48 3.23 8.18 0.00 -0.12 -5.02 105.19 112.51 1xkq n GLY 227 Ca 0.03 -0.09 -0.13 0.00 0.00 0.00 0.00 46.02 45.84 1xkq n GLY 227 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1xkq s ALA 228 N -1.98 -0.81 0.41 4.61 0.00 -1.26 -4.77 121.76 117.97 1xkq s ALA 228 Ca 0.00 0.80 -0.25 0.00 0.00 0.00 0.00 51.96 52.51 1xkq s ALA 228 Cb 0.00 -0.41 -0.08 0.00 0.00 0.00 0.00 23.12 22.63 1xkq s ALA 228 CO 0.00 -0.18 1.18 0.00 0.00 0.00 0.00 175.76 176.76 1xkq s ALA 229 N -0.17 3.12 0.58 0.00 0.00 -1.26 -4.91 121.76 119.12 1xkq s ALA 229 Ca -0.03 0.98 -0.19 0.00 0.00 0.00 0.00 51.96 52.72 1xkq s ALA 229 Cb -0.03 -3.39 -0.04 0.00 0.00 0.00 0.00 23.12 19.66 1xkq s ALA 229 CO 0.01 -0.59 1.21 0.20 0.00 0.00 0.00 175.76 176.59 1xkq s GLY 230 N -1.15 2.75 0.14 0.00 0.00 -0.92 -4.89 107.32 103.25 1xkq s GLY 230 Ca 0.59 1.01 0.11 0.00 0.00 0.00 0.00 44.72 46.43 1xkq s GLY 230 CO 0.39 1.41 -0.26 0.54 0.00 0.00 0.00 173.10 175.18 1xkq s LYS 231 N -3.29 1.46 0.36 2.90 1.02 -1.26 -1.29 119.74 119.64 1xkq s LYS 231 Ca 0.77 -1.37 0.10 0.00 0.02 0.00 0.00 55.97 55.48 1xkq s LYS 231 Cb -0.30 -1.91 0.84 0.00 -0.52 0.00 0.00 37.83 35.94 1xkq s LYS 231 CO 0.33 0.44 1.87 -1.35 -0.92 0.00 0.00 175.35 175.72 1xkq h PRO 232 N 3.72 0.65 -0.59 -1.68 0.11 -1.92 0.29 132.00 132.58 1xkq h PRO 232 Ca -0.50 -0.04 0.01 0.00 0.11 0.00 0.00 66.00 65.59 1xkq h PRO 232 Cb 1.18 -0.15 -0.03 0.00 0.11 0.00 0.00 31.00 32.11 1xkq h PRO 232 CO 0.42 0.43 0.39 0.93 -0.21 0.00 0.00 178.00 179.95 1xkq h GLU 233 N 0.67 0.74 -0.85 1.05 3.07 -1.93 -0.59 114.58 116.73 1xkq h GLU 233 Ca 0.45 -0.04 0.04 0.00 -0.50 0.00 0.00 59.36 59.31 1xkq h GLU 233 Cb 0.74 -0.17 -0.05 0.00 -0.84 0.00 0.00 28.75 28.44 1xkq h GLU 233 CO -0.20 0.49 0.56 0.45 -1.40 0.00 0.00 179.01 178.90 1xkq h HIS 234 N 0.76 1.00 0.19 4.33 3.86 -1.34 -1.03 115.15 122.93 1xkq h HIS 234 Ca 0.22 0.03 -0.33 0.00 -1.16 0.00 0.00 60.37 59.12 1xkq h HIS 234 Cb -0.04 -0.33 0.01 0.00 1.06 0.00 0.00 27.41 28.12 1xkq h HIS 234 CO -0.00 0.56 -1.62 0.82 0.86 0.00 0.00 177.93 178.55 1xkq h ILE 235 N 1.02 1.03 -0.66 2.45 2.04 -1.38 -3.33 117.51 118.68 1xkq h ILE 235 Ca 0.35 -2.53 0.09 0.00 1.00 0.00 0.00 64.86 63.77 1xkq h ILE 235 Cb 0.09 2.83 -0.07 0.00 -0.74 0.00 0.00 36.82 38.93 1xkq h ILE 235 CO -0.11 0.82 0.31 0.00 0.00 0.00 0.00 178.15 179.17 1xkq h ALA 236 N 0.09 0.89 -0.93 1.87 0.00 -0.92 -0.69 119.26 119.58 1xkq h ALA 236 Ca -0.32 0.06 0.15 0.00 0.00 0.00 0.00 54.91 54.81 1xkq h ALA 236 Cb 2.05 -0.02 -0.10 0.00 0.00 0.00 0.00 17.79 19.73 1xkq h ALA 236 CO 0.18 -0.10 0.53 -0.91 0.00 0.00 0.00 179.25 178.95 1xkq h ASN 237 N 0.53 0.70 -0.27 0.00 -0.26 -1.31 -0.53 115.58 114.44 1xkq h ASN 237 Ca 0.33 0.08 -0.15 0.00 -0.56 0.00 0.00 56.30 56.00 1xkq h ASN 237 Cb 0.35 -0.04 -0.00 0.00 -1.06 0.00 0.00 38.32 37.57 1xkq h ASN 237 CO -0.27 0.30 -0.43 0.40 -1.06 0.00 0.00 177.43 176.37 1xkq h ILE 238 N 0.75 1.30 -0.32 2.81 2.04 -1.28 -2.01 117.51 120.80 1xkq h ILE 238 Ca 0.50 -1.62 0.01 0.00 1.00 0.00 0.00 64.86 64.75 1xkq h ILE 238 Cb 0.69 1.68 -0.02 0.00 -0.74 0.00 0.00 36.82 38.43 1xkq h ILE 238 CO -0.34 0.52 0.19 0.40 0.00 0.00 0.00 178.15 178.92 1xkq h ILE 239 N 0.50 1.05 -0.77 -0.67 2.04 -0.14 -0.02 117.51 119.49 1xkq h ILE 239 Ca 0.02 -0.14 -0.04 0.00 1.00 0.00 0.00 64.86 65.70 1xkq h ILE 239 Cb 1.02 0.62 -0.03 0.00 -0.74 0.00 0.00 36.82 37.69 1xkq h ILE 239 CO 0.10 0.07 0.31 -0.07 0.00 0.00 0.00 178.15 178.56 1xkq h LEU 240 N 0.39 1.06 -0.04 1.44 4.07 -1.14 -0.52 115.31 120.57 1xkq h LEU 240 Ca 0.12 -0.16 0.01 0.00 0.08 0.00 0.00 57.88 57.93 1xkq h LEU 240 Cb -0.01 -0.28 -0.01 0.00 1.08 0.00 0.00 40.66 41.44 1xkq h LEU 240 CO -0.05 0.94 -0.03 0.15 -1.08 0.00 0.00 178.44 178.38 1xkq h PHE 241 N 1.13 -0.06 0.00 1.13 3.57 -0.75 0.37 116.94 122.33 1xkq h PHE 241 Ca 0.26 0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.75 1xkq h PHE 241 Cb 0.21 0.03 -0.00 0.00 2.79 0.00 0.00 35.95 38.98 1xkq h PHE 241 CO 0.02 -0.04 -0.06 -0.07 -2.23 0.00 0.00 178.31 175.93 1xkq h LEU 242 N -0.03 0.00 0.00 0.59 3.38 -0.67 -1.06 115.31 117.52 1xkq h LEU 242 Ca 0.03 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.00 1xkq h LEU 242 Cb 0.06 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.81 1xkq h LEU 242 CO -0.06 0.06 -0.46 0.00 0.09 0.00 0.00 178.44 178.07 1xkq h ALA 243 N 1.94 0.73 -1.68 1.53 0.00 -0.14 -3.42 119.26 118.23 1xkq h ALA 243 Ca -0.00 0.00 -0.68 0.00 0.00 0.00 0.00 54.91 54.23 1xkq h ALA 243 Cb 0.14 0.00 -0.16 0.00 0.00 0.00 0.00 17.79 17.77 1xkq h ALA 243 CO 0.01 0.00 1.10 0.34 0.00 0.00 0.00 179.25 180.70 1xkq s ASP 244 N -4.98 6.66 0.36 0.00 -1.08 0.03 -4.85 116.67 112.81 1xkq s ASP 244 Ca 0.06 -2.05 0.10 0.00 -0.52 0.00 0.00 52.55 50.13 1xkq s ASP 244 Cb 0.10 -2.44 0.86 0.00 -1.46 0.00 0.00 42.92 39.98 1xkq s ASP 244 CO 0.70 -1.12 1.84 -0.09 0.52 0.00 0.00 175.17 177.02 1xkq h ARG 245 N 8.78 0.63 -0.39 4.34 2.43 -1.81 0.52 114.38 128.87 1xkq h ARG 245 Ca 0.20 -0.04 0.04 0.00 -0.81 0.00 0.00 59.98 59.37 1xkq h ARG 245 Cb 1.00 -0.14 -0.02 0.00 -0.42 0.00 0.00 29.97 30.38 1xkq h ARG 245 CO 1.21 0.42 0.26 -0.97 -1.51 0.00 0.00 179.97 179.38 1xkq h ASN 246 N 0.65 0.32 0.00 -3.80 -1.24 -1.94 -1.23 115.58 108.34 1xkq h ASN 246 Ca 0.49 -0.00 -0.06 0.00 0.71 0.00 0.00 56.30 57.43 1xkq h ASN 246 Cb 0.87 -0.07 -0.01 0.00 0.73 0.00 0.00 38.32 39.84 1xkq h ASN 246 CO -0.24 0.22 -1.03 0.18 -1.29 0.00 0.00 177.43 175.27 1xkq n LEU 247 N -4.48 1.90 -0.53 0.34 4.32 -0.07 -4.65 117.00 113.83 1xkq n LEU 247 Ca 0.04 0.43 0.07 0.00 -0.02 0.00 0.00 56.01 56.54 1xkq n LEU 247 Cb 0.19 -0.80 0.24 0.00 -1.62 0.00 0.00 43.42 41.43 1xkq n LEU 247 CO 0.35 -0.21 0.68 -1.54 -1.22 0.00 0.00 177.39 175.45 1xkq n SER 248 N -4.49 1.55 -0.10 -1.43 3.41 -0.02 -4.73 113.62 107.81 1xkq n SER 248 Ca -0.17 -1.86 -0.03 0.00 -0.26 0.00 0.00 58.87 56.55 1xkq n SER 248 Cb 0.49 -0.16 -0.02 0.00 -0.26 0.00 0.00 64.21 64.26 1xkq n SER 248 CO 0.00 0.00 0.00 0.33 -0.16 0.00 0.00 175.04 175.21 1xkq n PHE 249 N 0.30 -0.10 0.25 7.33 7.35 -0.46 -0.46 117.46 131.66 1xkq n PHE 249 Ca 0.12 0.30 0.07 0.00 -0.76 0.00 0.00 57.45 57.18 1xkq n PHE 249 Cb 0.27 -0.42 0.32 0.00 0.35 0.00 0.00 39.48 40.01 1xkq n PHE 249 CO 0.00 0.00 0.00 0.98 -0.76 0.00 0.00 176.76 176.98 1xkq n TYR 250 N -3.79 0.35 -2.85 -5.13 9.36 -1.26 -4.58 117.16 109.25 1xkq n TYR 250 Ca 0.00 0.16 -0.41 0.00 3.32 0.00 0.00 57.90 60.97 1xkq n TYR 250 Cb 0.06 -0.76 -0.04 0.00 -0.63 0.00 0.00 39.34 37.98 1xkq n TYR 250 CO 0.00 0.00 0.00 0.42 0.22 0.00 0.00 176.86 177.50 1xkq s ILE 251 N -3.20 4.87 -0.13 2.97 1.01 0.39 -5.03 121.20 122.09 1xkq s ILE 251 Ca 0.02 1.72 -0.06 0.00 0.00 0.00 0.00 60.65 62.33 1xkq s ILE 251 Cb 0.06 -4.17 0.05 0.00 0.01 0.00 0.00 42.46 38.41 1xkq s ILE 251 CO 0.20 0.05 0.29 -0.22 0.00 0.00 0.00 174.94 175.25 1xkq s LEU 252 N 1.96 0.20 -0.97 2.97 2.96 -1.26 -4.90 118.68 119.64 1xkq s LEU 252 Ca 0.41 0.63 -0.01 0.00 -0.22 0.00 0.00 54.13 54.93 1xkq s LEU 252 Cb -0.17 0.90 0.00 0.00 0.50 0.00 0.00 46.19 47.42 1xkq s LEU 252 CO 0.15 -0.18 0.20 0.61 -1.32 0.00 0.00 176.35 175.80 1xkq n GLY 253 N 4.36 -0.07 3.42 7.98 0.00 0.13 -5.02 105.19 115.99 1xkq n GLY 253 Ca -0.23 -0.31 -0.29 0.00 0.00 0.00 0.00 46.02 45.20 1xkq n GLY 253 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1xkq s GLN 254 N -4.94 1.51 -0.32 1.61 -1.52 -1.26 -4.47 119.66 110.27 1xkq s GLN 254 Ca 0.10 -1.36 0.04 0.00 -1.95 0.00 0.00 55.36 52.19 1xkq s GLN 254 Cb -0.04 -1.93 0.09 0.00 -0.22 0.00 0.00 33.01 30.91 1xkq s GLN 254 CO 0.12 0.44 0.02 0.45 -0.25 0.00 0.00 175.29 176.07 1xkq s SER 255 N -2.23 4.71 -0.04 5.90 0.15 -1.26 -0.12 113.70 120.81 1xkq s SER 255 Ca 0.16 -1.99 -0.30 0.00 0.70 0.00 0.00 55.95 54.53 1xkq s SER 255 Cb -0.10 -1.62 -0.05 0.00 -1.71 0.00 0.00 66.02 62.55 1xkq s SER 255 CO 0.08 -0.34 1.55 -0.63 1.20 0.00 0.00 173.24 175.09 1xkq s ILE 256 N 0.95 3.65 -0.07 6.45 1.01 -0.46 -4.52 121.20 128.20 1xkq s ILE 256 Ca 0.07 0.88 -0.30 0.00 0.00 0.00 0.00 60.65 61.30 1xkq s ILE 256 Cb -0.19 -3.57 -0.02 0.00 0.01 0.00 0.00 42.46 38.69 1xkq s ILE 256 CO -0.07 -0.05 0.99 -0.69 0.00 0.00 0.00 174.94 175.12 1xkq s VAL 257 N 3.45 4.82 -0.38 2.92 1.01 -1.26 0.28 120.40 131.23 1xkq s VAL 257 Ca 0.69 2.04 0.01 0.00 0.00 0.00 0.00 61.98 64.71 1xkq s VAL 257 Cb -0.32 -4.31 0.13 0.00 0.00 0.00 0.00 36.38 31.88 1xkq s VAL 257 CO 0.27 0.06 0.20 0.00 0.00 0.00 0.00 175.10 175.63 1xkq s ALA 258 N 1.68 1.60 -0.01 5.51 0.00 -0.48 -4.92 121.76 125.15 1xkq s ALA 258 Ca 0.49 -2.15 0.01 0.00 0.00 0.00 0.00 51.96 50.31 1xkq s ALA 258 Cb -0.19 -1.74 0.02 0.00 0.00 0.00 0.00 23.12 21.21 1xkq s ALA 258 CO 0.21 -2.00 0.92 -0.40 0.00 0.00 0.00 175.76 174.49 1xkq n ASP 259 N 3.98 0.17 -1.05 0.00 5.75 -1.26 -0.34 116.55 123.80 1xkq n ASP 259 Ca 0.07 -1.89 -0.14 0.00 -0.01 0.00 0.00 54.79 52.83 1xkq n ASP 259 Cb 0.37 -0.18 -0.06 0.00 -1.03 0.00 0.00 41.12 40.22 1xkq n ASP 259 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1xkq n GLY 260 N -0.10 1.34 1.00 6.12 0.00 -1.26 -1.79 105.19 110.51 1xkq n GLY 260 Ca 0.01 -0.08 0.00 0.00 0.00 0.00 0.00 46.02 45.95 1xkq n GLY 260 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1xkq n GLY 261 N -0.32 0.73 0.25 -0.02 0.00 -1.26 -1.82 105.19 102.76 1xkq n GLY 261 Ca -0.14 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 45.81 1xkq n GLY 261 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 1xkq h THR 262 N 0.00 0.43 0.00 2.61 2.02 -1.54 -1.50 112.91 114.93 1xkq h THR 262 Ca 0.00 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.18 1xkq h THR 262 Cb 0.00 0.43 0.00 0.00 -1.74 0.00 0.00 68.15 66.84 1xkq h THR 262 CO 0.00 0.00 0.00 -1.54 0.37 0.00 0.00 175.52 174.35 1xkq n SER 263 N -5.37 0.20 -0.14 4.18 3.41 -1.26 -2.29 113.62 112.35 1xkq n SER 263 Ca 0.00 0.56 0.13 0.00 -0.26 0.00 0.00 58.87 59.31 1xkq n SER 263 Cb 0.28 -0.60 0.41 0.00 -0.26 0.00 0.00 64.21 64.04 1xkq n SER 263 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 1xkq n LEU 264 N -1.74 0.70 -4.71 1.04 4.77 -0.56 -4.84 117.00 111.66 1xkq n LEU 264 Ca 0.02 -0.09 -0.35 0.00 -0.03 0.00 0.00 56.01 55.56 1xkq n LEU 264 Cb 0.12 -0.19 -0.08 0.00 -2.33 0.00 0.00 43.42 40.93 1xkq n LEU 264 CO 0.10 0.14 -0.19 -0.69 -1.33 0.00 0.00 177.39 175.43 1xkq s VAL 265 N -2.65 5.33 0.37 4.08 1.01 -0.97 -5.09 120.40 122.49 1xkq s VAL 265 Ca 0.21 0.16 -0.15 0.00 0.00 0.00 0.00 61.98 62.20 1xkq s VAL 265 Cb 0.19 -3.44 -0.09 0.00 0.00 0.00 0.00 36.38 33.04 1xkq s VAL 265 CO 0.56 0.43 0.80 -0.32 0.00 0.00 0.00 175.10 176.56 1xkq s MET 266 N 0.49 3.99 0.26 2.72 1.75 -1.26 -4.99 119.30 122.26 1xkq s MET 266 Ca 0.07 0.73 -0.02 0.00 -1.25 0.00 0.00 55.69 55.23 1xkq s MET 266 Cb -0.12 -2.35 0.48 0.00 2.84 0.00 0.00 34.83 35.68 1xkq s MET 266 CO -0.01 0.05 1.81 0.78 -0.65 0.00 0.00 175.02 177.00 1xkq h GLY 267 N 1.88 1.44 1.89 2.11 0.00 -1.98 -1.34 103.07 107.07 1xkq h GLY 267 Ca -0.48 -0.35 -0.05 0.00 0.00 0.00 0.00 47.33 46.45 1xkq h GLY 267 CO 0.64 0.11 -0.18 -0.91 0.00 0.00 0.00 176.54 176.21 1xkq h THR 268 N 0.84 1.18 0.00 4.70 1.35 -1.95 -2.43 112.91 116.59 1xkq h THR 268 Ca 0.45 -0.80 0.00 0.00 -0.55 0.00 0.00 66.41 65.51 1xkq h THR 268 Cb 0.46 1.31 0.00 0.00 -1.73 0.00 0.00 68.15 68.19 1xkq h THR 268 CO -0.27 0.24 0.00 0.00 -0.25 0.00 0.00 175.52 175.24 1xkq n GLN 269 N -4.27 0.18 0.07 4.72 6.02 -0.51 -1.37 117.38 122.22 1xkq n GLN 269 Ca -0.01 0.16 0.13 0.00 -0.01 0.00 0.00 57.00 57.27 1xkq n GLN 269 Cb 0.28 -1.50 0.48 0.00 1.02 0.00 0.00 30.24 30.52 1xkq n GLN 269 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1xkq n ALA 270 N -1.26 2.21 -2.56 -1.58 0.00 -0.92 -4.77 120.51 111.63 1xkq n ALA 270 Ca 0.06 -0.04 -0.31 0.00 0.00 0.00 0.00 53.44 53.15 1xkq n ALA 270 Cb 0.08 -1.45 -0.11 0.00 0.00 0.00 0.00 19.45 17.98 1xkq n ALA 270 CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 177.50 176.49 1xkq s HIS 271 N -3.08 2.75 -2.00 0.00 3.76 -0.47 -5.02 115.29 111.22 1xkq s HIS 271 Ca 0.11 -0.14 0.06 0.00 -0.15 0.00 0.00 55.06 54.94 1xkq s HIS 271 Cb 0.14 -1.49 0.38 0.00 1.11 0.00 0.00 32.58 32.72 1xkq s HIS 271 CO 0.54 0.38 0.85 -3.47 -0.85 0.00 0.00 174.74 172.19