#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xsx n LYS 2 N 0.00 0.00 -1.20 0.00 4.81 -1.26 -5.11 118.16 115.40 1xsx n LYS 2 Ca 0.00 -1.15 0.09 0.00 -0.87 0.00 0.00 58.31 56.38 1xsx n LYS 2 Cb 0.00 0.30 -0.05 0.00 0.02 0.00 0.00 35.03 35.30 1xsx n LYS 2 CO 0.00 0.00 0.00 1.63 1.17 0.00 0.00 177.40 180.20 1xsx n LYS 3 N 0.12 -2.93 0.00 1.64 5.02 -1.26 -4.58 118.16 116.17 1xsx n LYS 3 Ca -0.16 2.35 0.00 0.00 -2.02 0.00 0.00 58.31 58.48 1xsx n LYS 3 Cb 0.79 -3.19 0.00 0.00 -0.02 0.00 0.00 35.03 32.61 1xsx n LYS 3 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 1xsx n LYS 4 N -3.38 0.00 0.11 1.97 5.02 -1.26 -4.58 118.16 116.04 1xsx n LYS 4 Ca -0.05 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.24 1xsx n LYS 4 Cb 0.50 -0.80 0.30 0.00 -0.02 0.00 0.00 35.03 35.01 1xsx n LYS 4 CO 0.00 0.00 0.00 1.03 -0.52 0.00 0.00 177.40 177.91 1xsx h SER 5 N 0.00 0.22 0.00 4.39 0.87 -1.98 -3.37 113.55 113.68 1xsx h SER 5 Ca 0.00 -0.07 0.00 0.00 -1.23 0.00 0.00 61.79 60.49 1xsx h SER 5 Cb 0.00 -0.06 0.00 0.00 -0.44 0.00 0.00 62.40 61.90 1xsx h SER 5 CO 0.00 0.51 0.00 2.29 -0.53 0.00 0.00 176.83 179.10 1xsx n LYS 6 N -4.13 0.00 -0.13 2.24 2.85 -1.26 -4.96 118.16 112.77 1xsx n LYS 6 Ca -0.01 0.00 -0.28 0.00 -1.05 0.00 0.00 58.31 56.97 1xsx n LYS 6 Cb 0.39 0.00 -0.10 0.00 -0.65 0.00 0.00 35.03 34.66 1xsx n LYS 6 CO 0.00 0.00 0.00 -0.11 -0.05 0.00 0.00 177.40 177.24 1xsx n LEU 7 N -0.02 1.98 -0.02 -5.58 7.94 -1.26 -4.39 117.00 115.65 1xsx n LEU 7 Ca 0.00 0.34 -0.00 0.00 -1.11 0.00 0.00 56.01 55.24 1xsx n LEU 7 Cb 0.00 -0.86 -0.00 0.00 0.53 0.00 0.00 43.42 43.09 1xsx n LEU 7 CO 0.00 0.53 -0.00 -0.08 -1.11 0.00 0.00 177.39 176.73 1xsx h GLU 8 N -0.95 0.00 -1.21 1.96 4.81 -1.88 -1.76 114.58 115.55 1xsx h GLU 8 Ca -0.62 0.00 0.35 0.00 -0.13 0.00 0.00 59.36 58.95 1xsx h GLU 8 Cb 1.57 0.00 -0.06 0.00 0.63 0.00 0.00 28.75 30.89 1xsx h GLU 8 CO -0.37 0.00 0.85 0.82 -0.73 0.00 0.00 179.01 179.59 1xsx h ILE 9 N -0.38 0.39 0.19 2.32 1.08 -1.88 1.08 117.51 120.31 1xsx h ILE 9 Ca 0.00 -0.02 -0.01 0.00 -0.39 0.00 0.00 64.86 64.44 1xsx h ILE 9 Cb 0.01 0.32 0.00 0.00 -3.07 0.00 0.00 36.82 34.08 1xsx h ILE 9 CO 0.00 0.01 -0.09 0.40 -0.69 0.00 0.00 178.15 177.78 1xsx h ILE 10 N 0.07 0.00 -0.08 -0.67 1.08 -1.77 -2.05 117.51 114.09 1xsx h ILE 10 Ca 0.60 -0.21 -0.05 0.00 -0.39 0.00 0.00 64.86 64.81 1xsx h ILE 10 Cb 2.23 0.00 -0.01 0.00 -3.07 0.00 0.00 36.82 35.97 1xsx h ILE 10 CO -0.07 0.00 -0.17 0.06 -0.69 0.00 0.00 178.15 177.28 1xsx h GLN 11 N -0.46 0.13 -0.53 2.37 3.07 -0.30 -1.12 115.11 118.27 1xsx h GLN 11 Ca -0.03 -0.03 -0.09 0.00 0.09 0.00 0.00 58.65 58.60 1xsx h GLN 11 Cb 0.19 -0.02 -0.02 0.00 0.08 0.00 0.00 27.48 27.71 1xsx h GLN 11 CO 0.04 0.30 -0.00 0.00 0.09 0.00 0.00 178.83 179.26 1xsx h ALA 12 N 1.71 0.72 -0.40 0.06 0.00 0.11 0.33 119.26 121.79 1xsx h ALA 12 Ca 0.02 -0.30 -0.14 0.00 0.00 0.00 0.00 54.91 54.50 1xsx h ALA 12 Cb 0.37 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.96 1xsx h ALA 12 CO 0.02 0.54 -0.30 0.82 0.00 0.00 0.00 179.25 180.33 1xsx h ILE 13 N 0.81 1.27 -0.09 0.00 2.04 -0.84 0.24 117.51 120.94 1xsx h ILE 13 Ca 0.15 -1.46 -0.08 0.00 1.00 0.00 0.00 64.86 64.47 1xsx h ILE 13 Cb 0.54 1.29 0.00 0.00 -0.74 0.00 0.00 36.82 37.91 1xsx h ILE 13 CO 0.03 0.49 -0.25 0.25 0.00 0.00 0.00 178.15 178.66 1xsx h LEU 14 N 0.73 0.38 -0.98 1.44 6.46 -0.97 -2.27 115.31 120.10 1xsx h LEU 14 Ca 0.08 -0.59 -0.09 0.00 -0.12 0.00 0.00 57.88 57.16 1xsx h LEU 14 Cb 0.86 -0.11 -0.01 0.00 -0.73 0.00 0.00 40.66 40.67 1xsx h LEU 14 CO 0.08 0.91 -0.43 -0.08 -0.62 0.00 0.00 178.44 178.30 1xsx h GLU 15 N -0.12 0.00 -0.25 1.25 4.81 -0.35 -2.29 114.58 117.63 1xsx h GLU 15 Ca -0.01 0.00 -0.18 0.00 -0.13 0.00 0.00 59.36 59.05 1xsx h GLU 15 Cb 0.87 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 30.25 1xsx h GLU 15 CO 0.05 0.43 -0.55 0.00 -0.73 0.00 0.00 179.01 178.22 1xsx h ALA 16 N 1.57 0.56 0.00 2.92 0.00 -0.92 -2.49 119.26 120.90 1xsx h ALA 16 Ca -0.00 -0.51 0.00 0.00 0.00 0.00 0.00 54.91 54.39 1xsx h ALA 16 Cb 0.89 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.60 1xsx h ALA 16 CO 0.06 0.68 0.00 0.00 0.00 0.00 0.00 179.25 179.99 1xsx n LYS 18 N -1.69 0.00 -2.22 0.00 3.00 -0.88 -1.36 118.16 115.01 1xsx n LYS 18 Ca 0.05 0.07 -0.03 0.00 -0.00 0.00 0.00 58.31 58.40 1xsx n LYS 18 Cb 0.28 -1.64 0.08 0.00 0.00 0.00 0.00 35.03 33.75 1xsx n LYS 18 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.40 177.83 1xsx n SER 19 N -0.87 -1.24 -2.21 3.14 7.64 -1.24 -4.80 113.62 114.04 1xsx n SER 19 Ca 0.00 -2.05 -0.03 0.00 1.01 0.00 0.00 58.87 57.80 1xsx n SER 19 Cb 0.14 0.55 -0.03 0.00 -1.01 0.00 0.00 64.21 63.86 1xsx n SER 19 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1xsx n GLY 20 N -1.11 -4.68 3.27 0.23 0.00 -0.57 -5.00 105.19 97.32 1xsx n GLY 20 Ca -0.18 0.95 -0.12 0.00 0.00 0.00 0.00 46.02 46.67 1xsx n GLY 20 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1xsx s SER 21 N -0.46 -0.47 1.23 1.61 0.01 0.58 -4.85 113.70 111.35 1xsx s SER 21 Ca -0.17 0.85 -0.20 0.00 1.31 0.00 0.00 55.95 57.73 1xsx s SER 21 Cb 0.01 0.78 0.30 0.00 0.21 0.00 0.00 66.02 67.32 1xsx s SER 21 CO 0.46 -0.17 1.12 -0.81 0.41 0.00 0.00 173.24 174.24 1xsx n PRO 22 N 3.70 -3.00 0.18 12.44 -0.04 -1.26 -1.69 135.00 145.33 1xsx n PRO 22 Ca -0.19 -1.78 0.07 0.00 -0.04 0.00 0.00 63.50 61.55 1xsx n PRO 22 Cb 0.56 -1.62 0.57 0.00 -0.04 0.00 0.00 33.50 32.97 1xsx n PRO 22 CO 0.00 0.00 0.00 0.87 -0.04 0.00 0.00 175.50 176.33 1xsx h LYS 23 N 0.00 0.17 -0.30 0.54 1.57 -1.97 -2.78 116.57 113.80 1xsx h LYS 23 Ca -0.41 -0.01 -0.01 0.00 -1.87 0.00 0.00 60.65 58.35 1xsx h LYS 23 Cb 1.25 -0.04 -0.01 0.00 0.08 0.00 0.00 32.23 33.51 1xsx h LYS 23 CO 0.27 0.12 0.16 1.79 -0.57 0.00 0.00 179.45 181.22 1xsx h THR 24 N 0.18 1.13 0.00 -0.16 1.35 -2.03 -1.84 112.91 111.54 1xsx h THR 24 Ca 0.05 -0.36 0.00 0.00 -0.55 0.00 0.00 66.41 65.55 1xsx h THR 24 Cb -0.01 0.82 0.00 0.00 -1.73 0.00 0.00 68.15 67.24 1xsx h THR 24 CO -0.01 0.13 0.02 -1.14 -0.25 0.00 0.00 175.52 174.27 1xsx n ARG 25 N -4.81 0.00 0.08 4.72 3.00 -1.05 -1.06 116.66 117.54 1xsx n ARG 25 Ca -0.02 0.39 -0.16 0.00 -0.00 0.00 0.00 57.85 58.06 1xsx n ARG 25 Cb 0.08 -1.52 -0.14 0.00 0.00 0.00 0.00 32.46 30.88 1xsx n ARG 25 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.63 178.45 1xsx h ILE 26 N 0.00 1.28 -0.75 5.15 1.08 -1.43 -3.30 117.51 119.55 1xsx h ILE 26 Ca 0.00 -2.90 0.05 0.00 -0.39 0.00 0.00 64.86 61.63 1xsx h ILE 26 Cb 0.03 2.83 -0.06 0.00 -3.07 0.00 0.00 36.82 36.56 1xsx h ILE 26 CO 0.00 0.84 0.45 -0.03 -0.69 0.00 0.00 178.15 178.72 1xsx h MET 27 N 0.07 0.81 0.00 2.37 4.05 -1.17 1.65 114.93 122.71 1xsx h MET 27 Ca -0.20 -0.05 0.00 0.00 -0.28 0.00 0.00 59.70 59.17 1xsx h MET 27 Cb 2.00 -0.18 0.00 0.00 -0.80 0.00 0.00 31.60 32.62 1xsx h MET 27 CO 0.18 0.54 0.28 0.98 0.23 0.00 0.00 176.91 179.11 1xsx n TYR 28 N -4.70 0.41 -0.09 1.39 9.36 -1.24 0.13 117.16 122.43 1xsx n TYR 28 Ca 0.10 0.22 -0.14 0.00 3.32 0.00 0.00 57.90 61.40 1xsx n TYR 28 Cb 0.16 -0.65 -0.14 0.00 -0.63 0.00 0.00 39.34 38.08 1xsx n TYR 28 CO 0.00 0.00 0.00 0.41 0.22 0.00 0.00 176.86 177.49 1xsx n GLY 29 N -1.28 -0.73 0.00 2.98 0.00 0.54 -5.06 105.19 101.64 1xsx n GLY 29 Ca -0.01 -0.24 0.00 0.00 0.00 0.00 0.00 46.02 45.78 1xsx n GLY 29 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1xsx n ALA 30 N -2.93 0.00 0.08 4.61 0.00 0.35 -4.96 120.51 117.65 1xsx n ALA 30 Ca -0.35 0.00 -0.00 0.00 0.00 0.00 0.00 53.44 53.08 1xsx n ALA 30 Cb 1.07 0.00 0.16 0.00 0.00 0.00 0.00 19.45 20.69 1xsx n ALA 30 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 1xsx n ASN 31 N -0.63 3.25 -3.26 0.00 2.85 -1.26 -4.29 115.26 111.93 1xsx n ASN 31 Ca 0.00 -2.51 -0.22 0.00 -0.11 0.00 0.00 54.58 51.74 1xsx n ASN 31 Cb 0.00 -0.60 0.02 0.00 1.24 0.00 0.00 39.78 40.44 1xsx n ASN 31 CO 0.00 0.00 0.00 -0.11 -2.11 0.00 0.00 177.26 175.04 1xsx n LEU 32 N 0.16 -4.17 -0.26 1.20 -0.00 -1.26 -4.66 117.00 108.01 1xsx n LEU 32 Ca 0.17 0.23 0.00 0.00 -0.00 0.00 0.00 56.01 56.40 1xsx n LEU 32 Cb 0.78 -2.06 0.00 0.00 -0.00 0.00 0.00 43.42 42.14 1xsx n LEU 32 CO 0.18 -1.02 0.00 -1.20 -0.00 0.00 0.00 177.39 175.35 1xsx n SER 33 N 0.22 0.00 0.00 1.96 7.64 -1.26 -4.48 113.62 117.70 1xsx n SER 33 Ca -0.02 -0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.85 1xsx n SER 33 Cb 0.55 -0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.75 1xsx n SER 33 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1xsx n TYR 34 N 0.03 0.00 -0.04 1.43 4.19 -1.26 0.41 117.16 121.92 1xsx n TYR 34 Ca 0.00 0.00 -0.08 0.00 3.31 0.00 0.00 57.90 61.13 1xsx n TYR 34 Cb 0.00 -0.40 -0.02 0.00 0.49 0.00 0.00 39.34 39.41 1xsx n TYR 34 CO 0.00 0.00 0.00 0.00 0.91 0.00 0.00 176.86 177.77 1xsx h ALA 35 N 0.00 0.07 0.04 2.98 0.00 -1.98 -3.26 119.26 117.10 1xsx h ALA 35 Ca 0.00 0.08 -0.38 0.00 0.00 0.00 0.00 54.91 54.61 1xsx h ALA 35 Cb 0.00 0.25 -0.05 0.00 0.00 0.00 0.00 17.79 17.99 1xsx h ALA 35 CO 0.00 -0.53 -2.27 -0.11 0.00 0.00 0.00 179.25 176.35 1xsx n LEU 36 N -5.26 2.66 -0.29 0.00 7.94 1.37 -4.56 117.00 118.86 1xsx n LEU 36 Ca -0.02 0.07 0.02 0.00 -1.11 0.00 0.00 56.01 54.98 1xsx n LEU 36 Cb 0.18 -0.96 0.08 0.00 0.53 0.00 0.00 43.42 43.25 1xsx n LEU 36 CO 0.21 0.82 0.49 0.41 -1.11 0.00 0.00 177.39 178.21 1xsx n THR 37 N -3.55 -0.36 0.05 1.96 -1.04 0.30 0.28 114.28 111.92 1xsx n THR 37 Ca -0.42 1.80 0.18 0.00 -2.04 0.00 0.00 64.05 63.56 1xsx n THR 37 Cb 0.97 -2.44 0.43 0.00 -1.82 0.00 0.00 70.33 67.47 1xsx n THR 37 CO 0.00 0.00 0.00 1.23 -0.64 0.00 0.00 175.07 175.66 1xsx h GLY 38 N 0.00 0.00 1.59 3.41 0.00 -1.79 2.24 103.07 108.52 1xsx h GLY 38 Ca 0.33 0.00 -0.17 0.00 0.00 0.00 0.00 47.33 47.50 1xsx h GLY 38 CO -0.79 0.00 -0.64 -0.09 0.00 0.00 0.00 176.54 175.02 1xsx h ARG 39 N 0.00 0.42 -0.01 4.80 2.43 0.39 -0.79 114.38 121.61 1xsx h ARG 39 Ca 0.25 -0.30 -0.11 0.00 -0.81 0.00 0.00 59.98 59.01 1xsx h ARG 39 Cb 2.07 0.05 0.01 0.00 -0.42 0.00 0.00 29.97 31.68 1xsx h ARG 39 CO -0.00 0.92 -0.42 1.88 -1.51 0.00 0.00 179.97 180.83 1xsx h TYR 40 N 0.30 0.44 0.57 2.20 -1.99 0.37 -1.92 116.97 116.94 1xsx h TYR 40 Ca -0.01 -0.23 -0.03 0.00 2.00 0.00 0.00 58.73 60.46 1xsx h TYR 40 Cb 1.19 -0.05 0.01 0.00 2.00 0.00 0.00 36.73 39.87 1xsx h TYR 40 CO 0.04 1.04 -0.27 0.82 -0.00 0.00 0.00 178.16 179.78 1xsx h ILE 41 N -0.29 0.37 -1.00 -2.88 2.04 -1.48 0.77 117.51 115.03 1xsx h ILE 41 Ca -0.05 -0.25 0.21 0.00 1.00 0.00 0.00 64.86 65.77 1xsx h ILE 41 Cb 1.15 0.46 -0.11 0.00 -0.74 0.00 0.00 36.82 37.58 1xsx h ILE 41 CO 0.08 0.03 0.61 0.50 0.00 0.00 0.00 178.15 179.38 1xsx h LYS 42 N -0.94 0.68 0.09 2.37 1.63 -1.25 0.29 116.57 119.43 1xsx h LYS 42 Ca -0.08 -0.04 -0.00 0.00 -0.85 0.00 0.00 60.65 59.68 1xsx h LYS 42 Cb 0.64 -0.15 0.00 0.00 -0.60 0.00 0.00 32.23 32.12 1xsx h LYS 42 CO 0.13 0.45 -0.04 1.98 -3.45 0.00 0.00 179.45 178.51 1xsx h MET 43 N 0.70 -0.12 0.00 1.90 4.05 -0.93 0.54 114.93 121.07 1xsx h MET 43 Ca 0.59 0.01 -0.03 0.00 -0.28 0.00 0.00 59.70 59.99 1xsx h MET 43 Cb 1.01 0.03 -0.00 0.00 -0.80 0.00 0.00 31.60 31.83 1xsx h MET 43 CO -0.39 0.07 -0.13 -0.07 0.23 0.00 0.00 176.91 176.62 1xsx h LEU 44 N -0.29 0.00 0.02 3.39 4.07 0.11 0.56 115.31 123.17 1xsx h LEU 44 Ca -0.01 0.00 -0.03 0.00 0.08 0.00 0.00 57.88 57.92 1xsx h LEU 44 Cb 0.24 0.00 0.00 0.00 1.08 0.00 0.00 40.66 41.98 1xsx h LEU 44 CO 0.02 0.13 -0.12 0.24 -1.08 0.00 0.00 178.44 177.62 1xsx h MET 45 N 0.00 0.04 -0.09 1.13 2.86 -0.04 0.43 114.93 119.26 1xsx h MET 45 Ca -0.00 -0.06 0.03 0.00 -2.06 0.00 0.00 59.70 57.60 1xsx h MET 45 Cb 0.32 0.02 -0.00 0.00 0.06 0.00 0.00 31.60 32.00 1xsx h MET 45 CO 0.02 1.03 0.07 0.22 1.06 0.00 0.00 176.91 179.31 1xsx h ASP 46 N -0.93 0.00 0.14 1.22 1.82 0.34 0.15 116.42 119.16 1xsx h ASP 46 Ca -0.02 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.62 1xsx h ASP 46 Cb 1.08 0.00 0.00 0.00 0.68 0.00 0.00 39.33 41.09 1xsx h ASP 46 CO 0.01 0.00 -0.42 0.18 -1.61 0.00 0.00 179.24 177.41 1xsx n LEU 47 N -4.32 1.38 -1.59 2.28 4.32 0.17 -5.01 117.00 114.23 1xsx n LEU 47 Ca -0.01 -0.46 -0.00 0.00 -0.02 0.00 0.00 56.01 55.52 1xsx n LEU 47 Cb 0.18 -0.07 0.00 0.00 -1.62 0.00 0.00 43.42 41.91 1xsx n LEU 47 CO 0.33 0.27 -0.00 1.21 -1.22 0.00 0.00 177.39 177.97 1xsx n GLU 48 N -0.53 -0.16 0.00 3.23 2.13 0.04 -5.02 120.64 120.33 1xsx n GLU 48 Ca 0.10 0.61 0.00 0.00 0.66 0.00 0.00 57.16 58.53 1xsx n GLU 48 Cb 0.39 -1.73 0.00 0.00 0.27 0.00 0.00 31.44 30.37 1xsx n GLU 48 CO 0.00 0.00 0.00 -0.89 -0.41 0.00 0.00 177.13 175.83 1xsx n ILE 49 N -0.43 0.00 -3.33 6.31 -0.00 0.14 -4.40 119.36 117.65 1xsx n ILE 49 Ca 0.01 0.00 -0.19 0.00 -0.00 0.00 0.00 62.75 62.57 1xsx n ILE 49 Cb 0.03 0.00 -0.01 0.00 -0.00 0.00 0.00 39.64 39.66 1xsx n ILE 49 CO 0.00 0.00 0.00 -0.63 -0.00 0.00 0.00 176.55 175.92 1xsx s ILE 50 N -1.00 3.13 0.04 1.39 1.01 -1.16 -2.26 121.20 122.35 1xsx s ILE 50 Ca 0.00 -1.14 -0.01 0.00 0.00 0.00 0.00 60.65 59.50 1xsx s ILE 50 Cb 0.00 -3.09 -0.03 0.00 0.01 0.00 0.00 42.46 39.35 1xsx s ILE 50 CO 0.00 -0.04 -0.03 -0.60 0.00 0.00 0.00 174.94 174.27 1xsx s ARG 51 N -4.22 0.53 -0.46 2.79 3.52 0.51 -4.54 118.95 117.08 1xsx s ARG 51 Ca 0.50 -1.06 -0.16 0.00 -0.13 0.00 0.00 55.73 54.88 1xsx s ARG 51 Cb -0.07 0.18 0.06 0.00 -1.56 0.00 0.00 34.95 33.56 1xsx s ARG 51 CO 0.30 -0.09 0.39 -1.14 -0.81 0.00 0.00 175.30 173.96 1xsx s GLN 52 N -3.26 2.99 -0.37 5.12 2.00 -1.25 -0.53 119.66 124.36 1xsx s GLN 52 Ca 0.01 -1.26 -0.01 0.00 -2.00 0.00 0.00 55.36 52.10 1xsx s GLN 52 Cb 0.03 -4.10 0.09 0.00 0.80 0.00 0.00 33.01 29.83 1xsx s GLN 52 CO -0.08 -0.99 0.12 -2.00 -0.50 0.00 0.00 175.29 171.85 1xsx s GLU 53 N 1.72 1.97 -1.61 1.67 -6.30 0.36 -4.58 118.70 111.92 1xsx s GLU 53 Ca 0.05 -1.72 -0.01 0.00 -2.50 0.00 0.00 54.97 50.79 1xsx s GLU 53 Cb -0.23 -3.40 0.00 0.00 0.00 0.00 0.00 34.13 30.50 1xsx s GLU 53 CO 0.08 -0.94 0.16 0.41 0.02 0.00 0.00 175.26 174.98 1xsx n GLY 54 N 4.52 -0.44 2.03 -1.50 0.00 -1.26 0.05 105.19 108.59 1xsx n GLY 54 Ca -0.03 -0.03 0.00 0.00 0.00 0.00 0.00 46.02 45.96 1xsx n GLY 54 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1xsx n LYS 55 N -3.13 0.00 -3.48 1.61 4.81 -1.26 -5.02 118.16 111.69 1xsx n LYS 55 Ca -0.20 0.00 -0.19 0.00 -0.87 0.00 0.00 58.31 57.05 1xsx n LYS 55 Cb 0.66 -2.64 -0.01 0.00 0.02 0.00 0.00 35.03 33.07 1xsx n LYS 55 CO 0.00 0.00 0.00 -1.14 1.17 0.00 0.00 177.40 177.43 1xsx s GLN 56 N -0.09 3.09 -0.32 1.64 0.74 0.11 -4.90 119.66 119.92 1xsx s GLN 56 Ca 0.00 -1.03 -0.10 0.00 0.05 0.00 0.00 55.36 54.27 1xsx s GLN 56 Cb 0.00 -2.80 -0.00 0.00 1.10 0.00 0.00 33.01 31.31 1xsx s GLN 56 CO 0.00 0.06 0.17 0.71 -0.55 0.00 0.00 175.29 175.68 1xsx s TYR 57 N -2.19 3.19 0.45 1.67 2.02 -0.68 -0.49 117.35 121.33 1xsx s TYR 57 Ca 0.45 -0.57 0.05 0.00 -0.37 0.00 0.00 57.07 56.63 1xsx s TYR 57 Cb -0.09 -2.39 -0.04 0.00 -0.40 0.00 0.00 41.96 39.04 1xsx s TYR 57 CO 0.31 -0.47 0.12 1.41 -1.57 0.00 0.00 175.55 175.35 1xsx s MET 58 N 1.62 2.15 -0.12 -0.62 -2.45 0.31 -0.31 119.30 119.88 1xsx s MET 58 Ca 0.04 -2.08 -0.10 0.00 -1.25 0.00 0.00 55.69 52.31 1xsx s MET 58 Cb -0.17 -1.79 -0.05 0.00 1.25 0.00 0.00 34.83 34.07 1xsx s MET 58 CO 0.07 -0.22 0.20 -0.48 1.05 0.00 0.00 175.02 175.64 1xsx s LEU 59 N -3.89 4.34 0.33 4.11 2.34 -0.46 0.19 118.68 125.64 1xsx s LEU 59 Ca 0.30 0.51 0.07 0.00 0.06 0.00 0.00 54.13 55.06 1xsx s LEU 59 Cb 0.04 -2.20 -0.01 0.00 -0.56 0.00 0.00 46.19 43.46 1xsx s LEU 59 CO 0.16 0.30 0.44 0.28 -1.06 0.00 0.00 176.35 176.47 1xsx s THR 60 N -0.52 4.02 0.31 5.48 -1.32 -0.96 -4.80 115.64 117.84 1xsx s THR 60 Ca 0.15 -1.06 0.15 0.00 -1.21 0.00 0.00 61.69 59.72 1xsx s THR 60 Cb -0.13 -3.38 0.31 0.00 -1.51 0.00 0.00 72.50 67.79 1xsx s THR 60 CO 0.04 -0.17 1.35 0.29 -2.21 0.00 0.00 174.62 173.93 1xsx n LYS 61 N -1.59 -0.05 0.21 7.08 4.01 -1.26 0.49 118.16 127.05 1xsx n LYS 61 Ca -0.01 1.20 -0.14 0.00 -0.51 0.00 0.00 58.31 58.85 1xsx n LYS 61 Cb 0.58 -2.11 -0.08 0.00 -0.51 0.00 0.00 35.03 32.92 1xsx n LYS 61 CO 0.00 0.00 0.00 0.87 -1.11 0.00 0.00 177.40 177.16 1xsx h LYS 62 N 0.00 -0.52 -0.75 1.97 6.56 -1.88 -1.94 116.57 120.01 1xsx h LYS 62 Ca 0.69 0.04 0.11 0.00 -1.06 0.00 0.00 60.65 60.43 1xsx h LYS 62 Cb 1.78 0.12 -0.08 0.00 -0.57 0.00 0.00 32.23 33.48 1xsx h LYS 62 CO -0.68 -0.23 0.38 0.78 -2.06 0.00 0.00 179.45 177.63 1xsx h GLY 63 N -0.76 1.16 0.90 3.86 0.00 -0.02 0.11 103.07 108.32 1xsx h GLY 63 Ca -0.05 -0.23 -0.02 0.00 0.00 0.00 0.00 47.33 47.02 1xsx h GLY 63 CO 0.09 0.03 0.09 0.83 0.00 0.00 0.00 176.54 177.59 1xsx h GLU 64 N 0.61 0.45 -0.03 4.80 5.08 -1.37 0.61 114.58 124.72 1xsx h GLU 64 Ca 0.38 -0.09 0.01 0.00 -1.00 0.00 0.00 59.36 58.66 1xsx h GLU 64 Cb 0.45 -0.07 -0.00 0.00 0.50 0.00 0.00 28.75 29.63 1xsx h GLU 64 CO -0.30 0.50 0.04 0.93 -1.00 0.00 0.00 179.01 179.18 1xsx h GLU 65 N 0.31 0.00 0.21 2.33 5.08 -0.40 -1.48 114.58 120.62 1xsx h GLU 65 Ca 0.09 0.00 -0.33 0.00 -1.00 0.00 0.00 59.36 58.12 1xsx h GLU 65 Cb 0.24 0.00 0.02 0.00 0.50 0.00 0.00 28.75 29.51 1xsx h GLU 65 CO -0.00 0.00 -1.56 1.25 -1.00 0.00 0.00 179.01 177.70 1xsx h LEU 66 N 0.00 0.69 -0.83 1.33 7.12 0.24 -2.35 115.31 121.50 1xsx h LEU 66 Ca 0.02 -0.84 0.12 0.00 0.13 0.00 0.00 57.88 57.31 1xsx h LEU 66 Cb 0.09 -0.23 -0.08 0.00 -0.53 0.00 0.00 40.66 39.91 1xsx h LEU 66 CO -0.00 1.68 0.45 -0.07 -0.13 0.00 0.00 178.44 180.37 1xsx h LEU 67 N 0.12 0.58 -0.05 2.25 -0.00 0.14 0.42 115.31 118.77 1xsx h LEU 67 Ca -0.27 0.07 -0.03 0.00 -0.00 0.00 0.00 57.88 57.65 1xsx h LEU 67 Cb 2.12 -0.03 -0.00 0.00 -0.00 0.00 0.00 40.66 42.75 1xsx h LEU 67 CO 0.23 0.29 -0.08 -0.33 -0.00 0.00 0.00 178.44 178.55 1xsx h GLU 68 N 0.69 0.14 -0.43 1.13 5.08 -1.53 -2.19 114.58 117.47 1xsx h GLU 68 Ca 0.43 -0.08 0.07 0.00 -1.00 0.00 0.00 59.36 58.78 1xsx h GLU 68 Cb 0.52 0.01 -0.06 0.00 0.50 0.00 0.00 28.75 29.72 1xsx h GLU 68 CO -0.31 0.64 0.05 -0.44 -1.00 0.00 0.00 179.01 177.95 1xsx h ASP 69 N -0.35 -0.06 -0.92 1.42 3.32 -0.74 0.18 116.42 119.26 1xsx h ASP 69 Ca 0.00 0.08 0.08 0.00 0.02 0.00 0.00 57.03 57.22 1xsx h ASP 69 Cb 0.63 0.13 -0.06 0.00 0.22 0.00 0.00 39.33 40.24 1xsx h ASP 69 CO 0.02 0.00 0.60 0.40 -1.72 0.00 0.00 179.24 178.54 1xsx h ILE 70 N 0.18 1.02 0.32 0.35 2.04 -0.18 -1.92 117.51 119.32 1xsx h ILE 70 Ca 0.21 -0.34 -0.01 0.00 1.00 0.00 0.00 64.86 65.72 1xsx h ILE 70 Cb 0.28 -0.06 0.00 0.00 -0.74 0.00 0.00 36.82 36.31 1xsx h ILE 70 CO -0.31 0.18 -0.17 -0.09 0.00 0.00 0.00 178.15 177.77 1xsx h ARG 71 N 0.99 -0.43 0.14 2.37 2.43 -0.05 -2.45 114.38 117.38 1xsx h ARG 71 Ca 0.41 0.03 -0.00 0.00 -0.81 0.00 0.00 59.98 59.61 1xsx h ARG 71 Cb 0.29 0.10 -0.02 0.00 -0.42 0.00 0.00 29.97 29.92 1xsx h ARG 71 CO -0.17 -0.29 -0.24 0.87 -1.51 0.00 0.00 179.97 178.63 1xsx h LYS 72 N -0.45 -0.38 -0.76 0.20 1.57 -0.41 0.25 116.57 116.58 1xsx h LYS 72 Ca -0.04 0.03 0.13 0.00 -1.87 0.00 0.00 60.65 58.89 1xsx h LYS 72 Cb 0.35 0.09 -0.13 0.00 0.08 0.00 0.00 32.23 32.62 1xsx h LYS 72 CO 0.06 -0.26 -0.36 0.35 -0.57 0.00 0.00 179.45 178.68 1xsx h PHE 73 N -0.40 -1.01 -0.54 -1.35 3.57 -1.47 0.98 116.94 116.72 1xsx h PHE 73 Ca -0.02 0.09 0.00 0.00 3.53 0.00 0.00 57.97 61.58 1xsx h PHE 73 Cb 0.37 0.55 -0.03 0.00 2.79 0.00 0.00 35.95 39.64 1xsx h PHE 73 CO -0.27 -0.39 0.35 -0.97 -2.23 0.00 0.00 178.31 174.80 1xsx h ASN 74 N -0.09 0.63 0.54 0.41 -0.73 -1.21 2.02 115.58 117.14 1xsx h ASN 74 Ca 0.28 -0.02 -0.12 0.00 1.87 0.00 0.00 56.30 58.31 1xsx h ASN 74 Cb 0.57 -0.16 -0.02 0.00 0.27 0.00 0.00 38.32 38.99 1xsx h ASN 74 CO -0.81 0.46 -0.58 -0.33 -0.37 0.00 0.00 177.43 175.80 1xsx h GLU 75 N 0.74 0.04 0.04 6.67 5.08 0.43 -2.55 114.58 125.02 1xsx h GLU 75 Ca 0.20 -0.03 -0.35 0.00 -1.00 0.00 0.00 59.36 58.18 1xsx h GLU 75 Cb -0.08 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 29.13 1xsx h GLU 75 CO -0.04 0.61 -2.12 -1.33 -1.00 0.00 0.00 179.01 175.12 1xsx n MET 76 N -3.86 0.69 -0.09 2.33 2.81 0.13 -3.50 117.12 115.63 1xsx n MET 76 Ca -0.01 0.19 -0.08 0.00 -1.81 0.00 0.00 57.70 55.99 1xsx n MET 76 Cb 0.59 -1.65 0.00 0.00 -0.71 0.00 0.00 33.22 31.45 1xsx n MET 76 CO 0.00 0.00 0.00 -0.09 1.51 0.00 0.00 175.97 177.39 1xsx h ARG 77 N 0.02 0.33 -0.31 0.03 1.12 0.32 0.25 114.38 116.14 1xsx h ARG 77 Ca -0.45 -0.02 -0.07 0.00 -1.11 0.00 0.00 59.98 58.33 1xsx h ARG 77 Cb 2.04 -0.08 -0.02 0.00 -0.01 0.00 0.00 29.97 31.91 1xsx h ARG 77 CO 0.03 0.22 -0.10 1.57 -3.11 0.00 0.00 179.97 178.59 1xsx h LYS 78 N 0.34 0.51 0.02 0.20 2.10 -1.64 -2.03 116.57 116.07 1xsx h LYS 78 Ca 0.14 -0.14 -0.00 0.00 -2.00 0.00 0.00 60.65 58.65 1xsx h LYS 78 Cb 0.05 -0.06 0.00 0.00 -0.90 0.00 0.00 32.23 31.32 1xsx h LYS 78 CO -0.09 0.61 -0.01 -0.97 -2.00 0.00 0.00 179.45 176.99 1xsx h ASN 79 N 0.48 -0.02 0.09 7.07 -0.00 -1.27 0.15 115.58 122.08 1xsx h ASN 79 Ca 0.09 -0.15 0.02 0.00 -0.00 0.00 0.00 56.30 56.27 1xsx h ASN 79 Cb 0.46 0.01 -0.04 0.00 -0.00 0.00 0.00 38.32 38.74 1xsx h ASN 79 CO 0.03 0.14 -0.30 -0.03 -0.00 0.00 0.00 177.43 177.26 1xsx h MET 80 N -0.18 -0.49 -0.77 6.67 4.05 -0.19 1.08 114.93 125.10 1xsx h MET 80 Ca -0.00 0.03 0.05 0.00 -0.28 0.00 0.00 59.70 59.50 1xsx h MET 80 Cb 0.17 0.11 -0.05 0.00 -0.80 0.00 0.00 31.60 31.02 1xsx h MET 80 CO 0.00 -0.32 0.47 0.22 0.23 0.00 0.00 176.91 177.51 1xsx h ASP 81 N -0.50 0.73 -0.26 1.39 1.82 -1.27 2.42 116.42 120.75 1xsx h ASP 81 Ca 0.04 0.02 0.00 0.00 -0.39 0.00 0.00 57.03 56.70 1xsx h ASP 81 Cb 0.55 -0.14 -0.01 0.00 0.68 0.00 0.00 39.33 40.41 1xsx h ASP 81 CO -0.20 0.48 0.17 -0.61 -1.61 0.00 0.00 179.24 177.47 1xsx h GLN 82 N 0.87 0.35 -0.37 0.28 5.75 0.21 0.13 115.11 122.33 1xsx h GLN 82 Ca 0.33 -0.03 -0.02 0.00 -0.15 0.00 0.00 58.65 58.78 1xsx h GLN 82 Cb 0.13 -0.08 -0.02 0.00 1.07 0.00 0.00 27.48 28.59 1xsx h GLN 82 CO -0.16 0.26 0.14 -0.07 -2.65 0.00 0.00 178.83 176.35 1xsx h LEU 83 N 0.34 0.52 -0.68 -2.39 3.38 0.25 -2.11 115.31 114.62 1xsx h LEU 83 Ca 0.10 -0.17 0.14 0.00 0.09 0.00 0.00 57.88 58.03 1xsx h LEU 83 Cb -0.01 -0.13 -0.10 0.00 0.09 0.00 0.00 40.66 40.51 1xsx h LEU 83 CO -0.02 0.55 0.18 0.50 0.09 0.00 0.00 178.44 179.74 1xsx h LYS 84 N 0.45 0.29 -0.66 1.13 3.64 0.49 0.86 116.57 122.77 1xsx h LYS 84 Ca 0.12 -0.02 -0.05 0.00 -1.27 0.00 0.00 60.65 59.44 1xsx h LYS 84 Cb 0.20 -0.07 -0.03 0.00 -0.41 0.00 0.00 32.23 31.92 1xsx h LYS 84 CO -0.01 0.19 0.22 1.49 -2.27 0.00 0.00 179.45 179.07 1xsx h GLU 85 N 0.30 1.01 -0.73 1.90 4.81 -0.29 -1.36 114.58 120.22 1xsx h GLU 85 Ca 0.37 -0.19 -0.06 0.00 -0.13 0.00 0.00 59.36 59.34 1xsx h GLU 85 Cb 0.59 -0.16 -0.03 0.00 0.63 0.00 0.00 28.75 29.78 1xsx h GLU 85 CO -0.44 0.85 0.21 -0.22 -0.73 0.00 0.00 179.01 178.68 1xsx h LYS 86 N 0.97 1.15 0.20 1.92 3.64 -0.27 -0.38 116.57 123.82 1xsx h LYS 86 Ca 0.22 -0.26 -0.01 0.00 -1.27 0.00 0.00 60.65 59.33 1xsx h LYS 86 Cb 0.26 -0.16 0.00 0.00 -0.41 0.00 0.00 32.23 31.92 1xsx h LYS 86 CO -0.01 0.99 -0.10 0.82 -2.27 0.00 0.00 179.45 178.89 1xsx h ILE 87 N 1.10 0.85 -0.26 2.00 2.04 -0.46 -2.40 117.51 120.38 1xsx h ILE 87 Ca 0.23 -0.27 -0.00 0.00 1.00 0.00 0.00 64.86 65.82 1xsx h ILE 87 Cb 0.34 1.02 -0.01 0.00 -0.74 0.00 0.00 36.82 37.42 1xsx h ILE 87 CO -0.00 0.06 0.15 0.78 0.00 0.00 0.00 178.15 179.14 1xsx h ASN 88 N -0.40 0.31 0.70 1.72 2.35 -1.10 -0.04 115.58 119.11 1xsx h ASN 88 Ca -0.03 -0.01 -0.03 0.00 -0.55 0.00 0.00 56.30 55.67 1xsx h ASN 88 Cb 0.31 -0.08 0.01 0.00 0.05 0.00 0.00 38.32 38.61 1xsx h ASN 88 CO 0.05 0.25 -0.33 -1.28 -1.65 0.00 0.00 177.43 174.46 1xsx h SER 89 N 0.36 -0.79 -0.28 5.81 0.87 -0.65 1.47 113.55 120.34 1xsx h SER 89 Ca 0.09 0.01 -0.16 0.00 -1.23 0.00 0.00 61.79 60.50 1xsx h SER 89 Cb 0.00 0.20 -0.00 0.00 -0.44 0.00 0.00 62.40 62.17 1xsx h SER 89 CO -0.02 -0.43 -0.45 0.58 -0.53 0.00 0.00 176.83 175.99 1xsx h VAL 90 N -1.20 1.29 0.00 2.23 2.07 -1.41 -1.15 116.25 118.09 1xsx h VAL 90 Ca -0.10 -1.64 0.00 0.00 0.82 0.00 0.00 66.70 65.79 1xsx h VAL 90 Cb 0.74 1.66 0.00 0.00 -1.52 0.00 0.00 31.29 32.16 1xsx h VAL 90 CO 0.16 0.53 0.00 -0.11 0.02 0.00 0.00 177.57 178.17 1xsx n LEU 91 N -4.12 0.35 0.00 2.57 7.94 -0.03 -4.80 117.00 118.91 1xsx n LEU 91 Ca -0.04 0.57 0.00 0.00 -1.11 0.00 0.00 56.01 55.42 1xsx n LEU 91 Cb 0.57 -0.49 0.00 0.00 0.53 0.00 0.00 43.42 44.03 1xsx n LEU 91 CO 0.48 -0.29 0.00 -1.20 -1.11 0.00 0.00 177.39 175.27 1xsx n SER 92 N -1.86 0.00 0.00 1.96 7.64 0.50 -4.45 113.62 117.41 1xsx n SER 92 Ca 0.04 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.92 1xsx n SER 92 Cb 0.26 -0.06 0.00 0.00 -1.01 0.00 0.00 64.21 63.40 1xsx n SER 92 CO 0.00 0.00 0.00 -0.38 -3.01 0.00 0.00 175.04 171.65 1xsx n ILE 93 N -0.13 0.00 -0.31 0.44 5.41 -1.16 -1.42 119.36 122.19 1xsx n ILE 93 Ca 0.00 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.75 1xsx n ILE 93 Cb 0.00 0.00 0.00 0.00 -0.71 0.00 0.00 39.64 38.93 1xsx n ILE 93 CO 0.00 0.00 0.00 -2.11 0.00 0.00 0.00 176.55 174.44 1xsx n ARG 94 N 0.00 0.23 0.00 0.38 1.85 -1.26 -5.20 116.66 112.66 1xsx n ARG 94 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 57.85 56.85 1xsx n ARG 94 Cb 0.00 -0.02 0.00 0.00 -1.05 0.00 0.00 32.46 31.39 1xsx n ARG 94 CO 0.00 0.00 0.00 0.94 -0.01 0.00 0.00 177.63 178.56