#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 -5.78 0.00 0.00 5.02 -1.26 -4.67 118.16 111.47 1xsx n LYS 2 Ca 0.00 0.72 0.00 0.00 -2.02 0.00 0.00 58.31 57.01 1xsx n LYS 2 Cb 0.00 -5.50 0.00 0.00 -0.02 0.00 0.00 35.03 29.51 1xsx n LYS 2 CO 0.00 0.00 0.00 0.36 -0.52 0.00 0.00 177.40 177.24 1xsx n LYS 3 N -4.30 0.00 -3.01 1.97 2.85 -1.26 -5.00 118.16 109.41 1xsx n LYS 3 Ca -0.25 0.00 -0.09 0.00 -1.05 0.00 0.00 58.31 56.92 1xsx n LYS 3 Cb 0.66 0.00 -0.03 0.00 -0.65 0.00 0.00 35.03 35.01 1xsx n LYS 3 CO 0.00 0.00 0.00 1.63 -0.05 0.00 0.00 177.40 178.98 1xsx n LYS 4 N -0.28 0.25 -3.39 -1.58 5.02 -1.26 -1.83 118.16 115.09 1xsx n LYS 4 Ca 0.00 -1.58 -0.22 0.00 -2.02 0.00 0.00 58.31 54.49 1xsx n LYS 4 Cb 0.00 1.36 -0.02 0.00 -0.02 0.00 0.00 35.03 36.36 1xsx n LYS 4 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 1xsx n SER 5 N -2.19 -2.78 0.00 4.39 2.88 -1.26 -3.53 113.62 111.12 1xsx n SER 5 Ca 0.03 -0.36 0.00 0.00 -1.33 0.00 0.00 58.87 57.21 1xsx n SER 5 Cb 0.30 -2.36 0.00 0.00 -0.75 0.00 0.00 64.21 61.40 1xsx n SER 5 CO 0.00 0.00 0.00 1.17 -1.23 0.00 0.00 175.04 174.98 1xsx n LYS 6 N -3.51 0.00 -0.05 -1.46 4.81 -1.26 -4.90 118.16 111.79 1xsx n LYS 6 Ca 0.01 0.00 -0.04 0.00 -0.87 0.00 0.00 58.31 57.41 1xsx n LYS 6 Cb 0.52 0.00 -0.01 0.00 0.02 0.00 0.00 35.03 35.55 1xsx n LYS 6 CO 0.00 0.00 0.00 1.28 1.17 0.00 0.00 177.40 179.85 1xsx n LEU 7 N 0.00 1.12 0.01 3.14 4.77 -1.23 -4.45 117.00 120.36 1xsx n LEU 7 Ca 0.00 0.32 -0.01 0.00 -0.03 0.00 0.00 56.01 56.29 1xsx n LEU 7 Cb 0.00 -0.68 -0.00 0.00 -2.33 0.00 0.00 43.42 40.41 1xsx n LEU 7 CO 0.00 -0.41 0.08 -0.08 -1.33 0.00 0.00 177.39 175.64 1xsx h GLU 8 N -0.60 -0.06 -0.58 3.23 4.81 -1.62 -2.61 114.58 117.15 1xsx h GLU 8 Ca 0.00 0.00 0.17 0.00 -0.13 0.00 0.00 59.36 59.41 1xsx h GLU 8 Cb 0.47 0.01 -0.11 0.00 0.63 0.00 0.00 28.75 29.76 1xsx h GLU 8 CO 0.00 -0.04 0.06 -0.89 -0.73 0.00 0.00 179.01 177.41 1xsx n ILE 9 N -2.92 -0.24 0.42 2.32 -0.00 -1.26 0.27 119.36 117.94 1xsx n ILE 9 Ca -0.01 1.26 -0.18 0.00 -0.00 0.00 0.00 62.75 63.82 1xsx n ILE 9 Cb 0.03 -1.87 -0.09 0.00 -0.00 0.00 0.00 39.64 37.70 1xsx n ILE 9 CO 0.00 0.00 0.00 0.40 -0.00 0.00 0.00 176.55 176.95 1xsx h ILE 10 N 0.00 0.18 -1.05 1.39 2.04 -1.78 -1.94 117.51 116.35 1xsx h ILE 10 Ca 0.37 -0.07 0.31 0.00 1.00 0.00 0.00 64.86 66.47 1xsx h ILE 10 Cb 0.82 0.19 -0.13 0.00 -0.74 0.00 0.00 36.82 36.96 1xsx h ILE 10 CO -0.53 0.01 0.63 -0.61 0.00 0.00 0.00 178.15 177.65 1xsx h GLN 11 N -1.13 0.36 -0.21 2.37 4.15 0.41 1.55 115.11 122.61 1xsx h GLN 11 Ca -0.11 -0.02 -0.06 0.00 0.77 0.00 0.00 58.65 59.23 1xsx h GLN 11 Cb 0.83 -0.08 -0.01 0.00 0.21 0.00 0.00 27.48 28.43 1xsx h GLN 11 CO 0.18 0.24 -0.13 0.00 -1.93 0.00 0.00 178.83 177.18 1xsx h ALA 12 N 1.74 1.39 -0.10 3.38 0.00 -0.51 -1.37 119.26 123.78 1xsx h ALA 12 Ca 0.70 -0.24 -0.11 0.00 0.00 0.00 0.00 54.91 55.26 1xsx h ALA 12 Cb 1.65 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 19.32 1xsx h ALA 12 CO -0.49 0.42 -0.42 0.82 0.00 0.00 0.00 179.25 179.58 1xsx h ILE 13 N 0.32 1.31 -0.13 0.00 2.04 0.29 -1.79 117.51 119.57 1xsx h ILE 13 Ca 0.06 -1.55 -0.14 0.00 1.00 0.00 0.00 64.86 64.23 1xsx h ILE 13 Cb 0.43 1.71 0.01 0.00 -0.74 0.00 0.00 36.82 38.23 1xsx h ILE 13 CO 0.03 0.46 -0.48 -0.07 0.00 0.00 0.00 178.15 178.08 1xsx h LEU 14 N 0.19 0.65 -1.27 1.44 3.38 -0.46 -2.37 115.31 116.87 1xsx h LEU 14 Ca 0.02 -0.62 -0.07 0.00 0.09 0.00 0.00 57.88 57.29 1xsx h LEU 14 Cb 0.83 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 41.38 1xsx h LEU 14 CO 0.07 1.15 -0.36 -0.33 0.09 0.00 0.00 178.44 179.06 1xsx h GLU 15 N 0.18 0.00 -0.15 1.13 5.08 -1.19 0.38 114.58 120.00 1xsx h GLU 15 Ca -0.02 0.00 -0.22 0.00 -1.00 0.00 0.00 59.36 58.11 1xsx h GLU 15 Cb 1.12 0.00 0.01 0.00 0.50 0.00 0.00 28.75 30.37 1xsx h GLU 15 CO 0.10 0.36 -0.78 0.00 -1.00 0.00 0.00 179.01 177.69 1xsx h ALA 16 N 1.64 0.34 0.00 3.43 0.00 -1.28 -3.10 119.26 120.29 1xsx h ALA 16 Ca -0.00 -0.60 -0.01 0.00 0.00 0.00 0.00 54.91 54.29 1xsx h ALA 16 Cb 0.67 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.44 1xsx h ALA 16 CO 0.05 0.69 -0.05 0.00 0.00 0.00 0.00 179.25 179.94 1xsx n LYS 18 N -3.12 0.00 -0.09 0.00 0.00 0.10 -1.79 118.16 113.26 1xsx n LYS 18 Ca 0.03 0.05 0.00 0.00 0.00 0.00 0.00 58.31 58.39 1xsx n LYS 18 Cb 0.52 -1.59 0.00 0.00 0.00 0.00 0.00 35.03 33.97 1xsx n LYS 18 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.40 176.27 1xsx n SER 19 N -0.82 0.00 -0.74 3.14 3.41 -1.25 -4.84 113.62 112.52 1xsx n SER 19 Ca 0.00 -1.04 0.00 0.00 -0.26 0.00 0.00 58.87 57.57 1xsx n SER 19 Cb 0.09 -0.01 0.00 0.00 -0.26 0.00 0.00 64.21 64.03 1xsx n SER 19 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1xsx n GLY 20 N 0.00 -1.46 3.30 5.00 0.00 -0.74 -5.06 105.19 106.23 1xsx n GLY 20 Ca 0.00 -0.54 -0.12 0.00 0.00 0.00 0.00 46.02 45.36 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 0.00 -0.46 1.20 1.61 0.01 -0.75 -4.90 113.70 110.41 1xsx s SER 21 Ca 0.00 0.85 -0.15 0.00 1.31 0.00 0.00 55.95 57.97 1xsx s SER 21 Cb 0.00 0.83 0.29 0.00 0.21 0.00 0.00 66.02 67.35 1xsx s SER 21 CO 0.00 -0.16 1.02 -2.16 0.41 0.00 0.00 173.24 172.35 1xsx s PRO 22 N 0.57 -1.16 0.47 12.44 0.04 -1.26 -2.22 135.00 143.88 1xsx s PRO 22 Ca -0.03 0.61 0.13 0.00 0.04 0.00 0.00 61.00 61.76 1xsx s PRO 22 Cb -0.04 -1.54 1.10 0.00 0.04 0.00 0.00 34.50 34.05 1xsx s PRO 22 CO -0.03 -3.82 2.09 -0.22 0.04 0.00 0.00 177.00 175.05 1xsx h LYS 23 N -2.68 0.15 -0.40 4.56 3.11 -1.98 -2.53 116.57 116.79 1xsx h LYS 23 Ca -0.58 -0.01 -0.08 0.00 -2.81 0.00 0.00 60.65 57.16 1xsx h LYS 23 Cb 1.34 -0.03 -0.01 0.00 -1.00 0.00 0.00 32.23 32.52 1xsx h LYS 23 CO 0.48 0.14 -0.06 1.79 -2.81 0.00 0.00 179.45 178.98 1xsx h THR 24 N 0.15 1.27 0.00 1.00 1.35 -1.96 -2.40 112.91 112.32 1xsx h THR 24 Ca 0.04 -1.13 0.00 0.00 -0.55 0.00 0.00 66.41 64.77 1xsx h THR 24 Cb 0.05 1.19 0.00 0.00 -1.73 0.00 0.00 68.15 67.66 1xsx h THR 24 CO -0.00 0.38 0.02 -1.14 -0.25 0.00 0.00 175.52 174.52 1xsx n ARG 25 N -4.37 0.03 0.15 4.72 0.00 -0.95 0.52 116.66 116.76 1xsx n ARG 25 Ca -0.01 0.52 0.08 0.00 -0.00 0.00 0.00 57.85 58.44 1xsx n ARG 25 Cb 0.34 -1.62 0.06 0.00 0.00 0.00 0.00 32.46 31.24 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 0.26 -0.80 5.15 2.04 -1.46 -3.25 117.51 119.45 1xsx h ILE 26 Ca 0.00 -1.40 0.05 0.00 1.00 0.00 0.00 64.86 64.51 1xsx h ILE 26 Cb 0.03 1.97 -0.06 0.00 -0.74 0.00 0.00 36.82 38.02 1xsx h ILE 26 CO 0.00 0.15 0.49 0.24 0.00 0.00 0.00 178.15 179.02 1xsx h MET 27 N 0.00 0.88 0.00 2.37 2.86 0.00 0.47 114.93 121.51 1xsx h MET 27 Ca -0.02 -0.05 0.00 0.00 -2.06 0.00 0.00 59.70 57.57 1xsx h MET 27 Cb 1.16 -0.20 0.00 0.00 0.06 0.00 0.00 31.60 32.62 1xsx h MET 27 CO 0.02 0.58 0.07 0.98 1.06 0.00 0.00 176.91 179.62 1xsx n TYR 28 N -4.66 0.00 -0.08 -0.22 9.36 -1.23 0.19 117.16 120.53 1xsx n TYR 28 Ca 0.11 0.00 -0.14 0.00 3.32 0.00 0.00 57.90 61.19 1xsx n TYR 28 Cb 0.16 -0.18 -0.14 0.00 -0.63 0.00 0.00 39.34 38.55 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 -1.11 -0.74 2.27 2.98 0.00 0.16 -5.06 105.19 103.70 1xsx n GLY 29 Ca 0.00 -0.22 -0.04 0.00 0.00 0.00 0.00 46.02 45.76 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 -2.90 -1.30 0.71 4.61 0.00 0.13 -4.97 120.51 116.78 1xsx n ALA 30 Ca -0.33 -0.69 0.00 0.00 0.00 0.00 0.00 53.44 52.41 1xsx n ALA 30 Cb 1.07 0.49 0.00 0.00 0.00 0.00 0.00 19.45 21.01 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 -1.18 0.90 -1.21 0.00 2.85 -1.26 -4.55 115.26 110.80 1xsx n ASN 31 Ca -0.04 -1.41 0.00 0.00 -0.11 0.00 0.00 54.58 53.02 1xsx n ASN 31 Cb 0.35 -0.35 0.00 0.00 1.24 0.00 0.00 39.78 41.02 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 0.21 -0.78 -0.19 1.20 -0.00 -1.26 -4.59 117.00 111.59 1xsx n LEU 32 Ca 0.00 0.51 0.00 0.00 -0.00 0.00 0.00 56.01 56.52 1xsx n LEU 32 Cb 0.20 -0.78 0.00 0.00 -0.00 0.00 0.00 43.42 42.84 1xsx n LEU 32 CO 0.00 -0.99 0.10 -1.20 -0.00 0.00 0.00 177.39 175.30 1xsx n SER 33 N 1.77 0.09 0.00 1.96 7.64 -1.26 -4.50 113.62 119.32 1xsx n SER 33 Ca 0.00 -0.49 0.00 0.00 1.01 0.00 0.00 58.87 59.39 1xsx n SER 33 Cb 0.00 -0.05 0.00 0.00 -1.01 0.00 0.00 64.21 63.15 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 -0.16 0.00 -0.15 1.43 0.18 -1.26 0.47 117.16 117.66 1xsx n TYR 34 Ca 0.00 0.00 -0.06 0.00 1.88 0.00 0.00 57.90 59.72 1xsx n TYR 34 Cb 0.02 -0.46 0.03 0.00 -0.38 0.00 0.00 39.34 38.55 1xsx n TYR 34 CO 0.00 0.00 0.00 0.00 -2.08 0.00 0.00 176.86 174.78 1xsx h ALA 35 N 0.00 0.60 0.02 -3.48 0.00 -1.97 -3.14 119.26 111.29 1xsx h ALA 35 Ca 0.00 0.00 -0.39 0.00 0.00 0.00 0.00 54.91 54.52 1xsx h ALA 35 Cb 0.00 -0.11 -0.06 0.00 0.00 0.00 0.00 17.79 17.62 1xsx h ALA 35 CO 0.00 -0.06 -2.31 -0.11 0.00 0.00 0.00 179.25 176.77 1xsx n LEU 36 N -4.85 2.53 -0.32 0.00 0.00 1.66 -4.50 117.00 111.52 1xsx n LEU 36 Ca 0.03 0.11 0.23 0.00 0.00 0.00 0.00 56.01 56.37 1xsx n LEU 36 Cb 0.09 -0.93 0.44 0.00 0.00 0.00 0.00 43.42 43.03 1xsx n LEU 36 CO 0.31 0.76 1.00 0.74 0.00 0.00 0.00 177.39 180.21 1xsx h THR 37 N -0.37 0.15 -0.92 1.96 2.02 0.74 1.13 112.91 117.63 1xsx h THR 37 Ca -0.57 -0.05 0.27 0.00 0.77 0.00 0.00 66.41 66.83 1xsx h THR 37 Cb 1.79 0.00 -0.04 0.00 -1.74 0.00 0.00 68.15 68.16 1xsx h THR 37 CO -0.17 0.02 1.01 1.23 0.37 0.00 0.00 175.52 177.99 1xsx h GLY 38 N 0.14 0.00 1.67 2.16 0.00 -1.76 2.65 103.07 107.92 1xsx h GLY 38 Ca 0.71 0.00 -0.14 0.00 0.00 0.00 0.00 47.33 47.90 1xsx h GLY 38 CO -0.73 0.00 -0.53 -0.09 0.00 0.00 0.00 176.54 175.19 1xsx h ARG 39 N 0.00 0.35 0.13 4.80 2.43 0.10 -1.83 114.38 120.37 1xsx h ARG 39 Ca 0.44 -0.21 -0.28 0.00 -0.81 0.00 0.00 59.98 59.11 1xsx h ARG 39 Cb 2.45 0.02 0.01 0.00 -0.42 0.00 0.00 29.97 32.04 1xsx h ARG 39 CO -0.00 0.80 -1.25 1.88 -1.51 0.00 0.00 179.97 179.89 1xsx h TYR 40 N 0.28 0.67 0.72 2.20 0.05 0.45 -2.03 116.97 119.30 1xsx h TYR 40 Ca 0.01 -0.46 -0.04 0.00 0.05 0.00 0.00 58.73 58.29 1xsx h TYR 40 Cb 1.03 -0.04 0.01 0.00 1.01 0.00 0.00 36.73 38.73 1xsx h TYR 40 CO 0.03 1.34 -0.35 0.82 -1.05 0.00 0.00 178.16 178.95 1xsx h ILE 41 N 0.14 0.02 -0.83 -2.88 2.04 -1.33 0.58 117.51 115.25 1xsx h ILE 41 Ca -0.16 -0.29 0.12 0.00 1.00 0.00 0.00 64.86 65.53 1xsx h ILE 41 Cb 1.95 0.03 -0.08 0.00 -0.74 0.00 0.00 36.82 37.97 1xsx h ILE 41 CO 0.22 0.00 0.45 0.50 0.00 0.00 0.00 178.15 179.32 1xsx h LYS 42 N -1.25 0.68 -0.23 2.37 1.63 -1.46 -0.54 116.57 117.78 1xsx h LYS 42 Ca -0.10 -0.04 -0.00 0.00 -0.85 0.00 0.00 60.65 59.66 1xsx h LYS 42 Cb 0.74 -0.15 -0.01 0.00 -0.60 0.00 0.00 32.23 32.21 1xsx h LYS 42 CO 0.16 0.45 0.13 1.98 -3.45 0.00 0.00 179.45 178.73 1xsx h MET 43 N 0.70 0.32 0.00 1.90 4.05 -1.28 0.37 114.93 120.99 1xsx h MET 43 Ca 0.43 -0.03 0.00 0.00 -0.28 0.00 0.00 59.70 59.82 1xsx h MET 43 Cb 0.51 -0.06 0.00 0.00 -0.80 0.00 0.00 31.60 31.24 1xsx h MET 43 CO -0.30 0.27 0.00 -0.07 0.23 0.00 0.00 176.91 177.03 1xsx h LEU 44 N 0.28 0.00 0.05 3.39 3.38 0.29 0.18 115.31 122.87 1xsx h LEU 44 Ca 0.08 0.00 -0.17 0.00 0.09 0.00 0.00 57.88 57.89 1xsx h LEU 44 Cb 0.03 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.78 1xsx h LEU 44 CO -0.01 0.00 -0.86 0.24 0.09 0.00 0.00 178.44 177.90 1xsx h MET 45 N 0.00 0.10 0.00 1.13 2.86 0.38 0.27 114.93 119.67 1xsx h MET 45 Ca 0.00 -0.16 -0.00 0.00 -2.06 0.00 0.00 59.70 57.47 1xsx h MET 45 Cb 0.21 0.06 -0.00 0.00 0.06 0.00 0.00 31.60 31.93 1xsx h MET 45 CO 0.00 1.08 -0.01 0.22 1.06 0.00 0.00 176.91 179.26 1xsx h ASP 46 N -0.75 0.00 0.24 1.22 1.82 0.13 0.15 116.42 119.24 1xsx h ASP 46 Ca -0.21 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.43 1xsx h ASP 46 Cb 1.37 0.00 0.00 0.00 0.68 0.00 0.00 39.33 41.38 1xsx h ASP 46 CO -0.03 0.01 -0.74 0.18 -1.61 0.00 0.00 179.24 177.05 1xsx n LEU 47 N -3.76 0.79 -1.51 2.28 4.32 0.01 -5.01 117.00 114.11 1xsx n LEU 47 Ca -0.03 -0.26 -0.00 0.00 -0.02 0.00 0.00 56.01 55.70 1xsx n LEU 47 Cb 0.10 -0.12 0.00 0.00 -1.62 0.00 0.00 43.42 41.78 1xsx n LEU 47 CO 0.27 0.19 0.00 1.21 -1.22 0.00 0.00 177.39 177.84 1xsx n GLU 48 N -1.45 -0.02 0.00 3.23 4.07 0.04 -5.02 120.64 121.49 1xsx n GLU 48 Ca 0.05 0.51 0.00 0.00 -0.06 0.00 0.00 57.16 57.66 1xsx n GLU 48 Cb 0.34 -1.54 0.00 0.00 -0.06 0.00 0.00 31.44 30.17 1xsx n GLU 48 CO 0.00 0.00 0.00 -0.89 -0.06 0.00 0.00 177.13 176.18 1xsx n ILE 49 N -0.62 0.00 -3.61 6.31 -0.00 0.91 -4.31 119.36 118.04 1xsx n ILE 49 Ca 0.00 0.00 -0.20 0.00 -0.00 0.00 0.00 62.75 62.55 1xsx n ILE 49 Cb 0.13 0.00 -0.02 0.00 -0.00 0.00 0.00 39.64 39.75 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 3.80 0.41 1.39 1.01 -1.08 -2.37 121.20 123.36 1xsx s ILE 50 Ca 0.00 -1.16 0.04 0.00 0.00 0.00 0.00 60.65 59.54 1xsx s ILE 50 Cb 0.00 -3.30 -0.05 0.00 0.01 0.00 0.00 42.46 39.12 1xsx s ILE 50 CO 0.00 -0.16 0.04 -0.60 0.00 0.00 0.00 174.94 174.22 1xsx s ARG 51 N -4.10 1.93 -0.24 2.79 3.00 0.77 -4.55 118.95 118.55 1xsx s ARG 51 Ca 0.44 -2.13 -0.03 0.00 -1.00 0.00 0.00 55.73 53.00 1xsx s ARG 51 Cb -0.08 -1.28 0.12 0.00 0.00 0.00 0.00 34.95 33.72 1xsx s ARG 51 CO 0.29 -0.21 0.32 1.14 0.00 0.00 0.00 175.30 176.84 1xsx s GLN 52 N -3.80 0.29 -0.28 5.12 -2.07 -1.26 -1.86 119.66 115.81 1xsx s GLN 52 Ca 0.27 0.33 0.01 0.00 -1.82 0.00 0.00 55.36 54.16 1xsx s GLN 52 Cb 0.07 -0.74 0.08 0.00 -1.09 0.00 0.00 33.01 31.33 1xsx s GLN 52 CO 0.13 -0.71 0.01 -1.83 -1.32 0.00 0.00 175.29 171.57 1xsx s GLU 53 N 2.45 1.41 -0.16 9.60 -1.05 0.17 -4.90 118.70 126.22 1xsx s GLU 53 Ca 0.10 -1.29 -0.00 0.00 -0.15 0.00 0.00 54.97 53.63 1xsx s GLU 53 Cb -0.15 -2.66 0.00 0.00 -0.44 0.00 0.00 34.13 30.88 1xsx s GLU 53 CO -0.17 -0.78 0.00 0.41 0.95 0.00 0.00 175.26 175.67 1xsx n GLY 54 N 4.57 -2.27 2.15 -3.83 0.00 -1.26 -1.75 105.19 102.81 1xsx n GLY 54 Ca -0.05 0.25 0.00 0.00 0.00 0.00 0.00 46.02 46.22 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 0.98 -1.08 -4.47 1.61 4.81 -1.26 -4.83 118.16 113.92 1xsx n LYS 55 Ca 0.00 0.03 -0.33 0.00 -0.87 0.00 0.00 58.31 57.14 1xsx n LYS 55 Cb 0.24 -2.12 -0.10 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 -0.16 2.72 0.22 1.64 0.74 -0.72 -4.46 119.66 119.65 1xsx s GLN 56 Ca 0.00 -0.60 0.05 0.00 0.05 0.00 0.00 55.36 54.86 1xsx s GLN 56 Cb 0.00 -2.60 -0.03 0.00 1.10 0.00 0.00 33.01 31.48 1xsx s GLN 56 CO 0.00 0.64 0.28 0.71 -0.55 0.00 0.00 175.29 176.37 1xsx s TYR 57 N -0.94 3.33 0.31 1.67 1.51 -0.94 0.45 117.35 122.74 1xsx s TYR 57 Ca 0.15 -0.02 -0.07 0.00 -1.01 0.00 0.00 57.07 56.12 1xsx s TYR 57 Cb -0.11 -1.53 0.01 0.00 -0.11 0.00 0.00 41.96 40.21 1xsx s TYR 57 CO 0.05 0.48 0.50 1.41 -1.11 0.00 0.00 175.55 176.89 1xsx s MET 58 N -3.74 1.81 -0.14 -0.62 1.75 -0.78 -1.81 119.30 115.77 1xsx s MET 58 Ca 0.33 -1.55 -0.10 0.00 -1.25 0.00 0.00 55.69 53.12 1xsx s MET 58 Cb -0.09 0.47 -0.05 0.00 2.84 0.00 0.00 34.83 38.00 1xsx s MET 58 CO 0.27 -0.76 0.20 -0.48 -0.65 0.00 0.00 175.02 173.60 1xsx s LEU 59 N -3.14 4.31 0.36 4.11 2.34 -0.98 0.27 118.68 125.94 1xsx s LEU 59 Ca 0.26 0.46 0.06 0.00 0.06 0.00 0.00 54.13 54.97 1xsx s LEU 59 Cb -0.01 -2.21 -0.00 0.00 -0.56 0.00 0.00 46.19 43.41 1xsx s LEU 59 CO 0.15 0.25 0.51 0.28 -1.06 0.00 0.00 176.35 176.49 1xsx s THR 60 N -0.23 3.87 0.29 5.48 -1.32 -1.00 -4.77 115.64 117.97 1xsx s THR 60 Ca 0.14 -0.94 -0.00 0.00 -1.21 0.00 0.00 61.69 59.68 1xsx s THR 60 Cb -0.12 -3.34 0.37 0.00 -1.51 0.00 0.00 72.50 67.89 1xsx s THR 60 CO 0.03 -0.15 1.60 0.07 -2.21 0.00 0.00 174.62 173.96 1xsx h LYS 61 N 0.78 0.06 -0.78 7.08 -0.00 -1.95 1.11 116.57 122.88 1xsx h LYS 61 Ca -0.45 -0.00 -0.02 0.00 -0.00 0.00 0.00 60.65 60.18 1xsx h LYS 61 Cb 1.26 -0.01 -0.04 0.00 -0.00 0.00 0.00 32.23 33.44 1xsx h LYS 61 CO 0.52 0.04 0.41 0.87 -0.00 0.00 0.00 179.45 181.29 1xsx h LYS 62 N 0.06 1.09 -0.28 0.07 6.56 -1.89 -1.95 116.57 120.23 1xsx h LYS 62 Ca 0.55 -0.13 -0.10 0.00 -1.06 0.00 0.00 60.65 59.91 1xsx h LYS 62 Cb 1.10 -0.21 -0.01 0.00 -0.57 0.00 0.00 32.23 32.54 1xsx h LYS 62 CO -0.83 0.81 -0.21 0.78 -2.06 0.00 0.00 179.45 177.95 1xsx h GLY 63 N 1.13 0.69 0.85 3.86 0.00 0.12 -0.52 103.07 109.20 1xsx h GLY 63 Ca 0.27 -0.67 -0.02 0.00 0.00 0.00 0.00 47.33 46.92 1xsx h GLY 63 CO -0.04 0.60 0.04 1.05 0.00 0.00 0.00 176.54 178.19 1xsx h GLU 64 N 0.37 0.33 -0.63 4.80 4.11 -1.06 0.15 114.58 122.64 1xsx h GLU 64 Ca 0.05 -0.08 0.00 0.00 0.07 0.00 0.00 59.36 59.40 1xsx h GLU 64 Cb 0.75 -0.04 -0.03 0.00 0.50 0.00 0.00 28.75 29.93 1xsx h GLU 64 CO 0.05 0.46 0.40 0.93 0.07 0.00 0.00 179.01 180.92 1xsx h GLU 65 N 0.14 0.84 -0.22 1.06 5.08 -1.35 -2.14 114.58 118.00 1xsx h GLU 65 Ca 0.06 -0.06 -0.16 0.00 -1.00 0.00 0.00 59.36 58.20 1xsx h GLU 65 Cb 0.29 -0.18 0.00 0.00 0.50 0.00 0.00 28.75 29.35 1xsx h GLU 65 CO 0.00 0.58 -0.51 1.25 -1.00 0.00 0.00 179.01 179.33 1xsx h LEU 66 N 0.86 0.82 -0.66 1.33 5.85 -0.69 -2.08 115.31 120.75 1xsx h LEU 66 Ca 0.23 -0.56 0.11 0.00 0.84 0.00 0.00 57.88 58.50 1xsx h LEU 66 Cb -0.06 -0.24 -0.08 0.00 0.37 0.00 0.00 40.66 40.65 1xsx h LEU 66 CO -0.05 1.23 0.25 0.25 -0.34 0.00 0.00 178.44 179.79 1xsx h LEU 67 N 0.44 0.23 -0.26 2.25 5.85 -0.08 0.22 115.31 123.96 1xsx h LEU 67 Ca -0.00 0.09 -0.07 0.00 0.84 0.00 0.00 57.88 58.74 1xsx h LEU 67 Cb 1.12 0.07 -0.01 0.00 0.37 0.00 0.00 40.66 42.22 1xsx h LEU 67 CO 0.11 0.12 -0.11 -0.08 -0.34 0.00 0.00 178.44 178.14 1xsx h GLU 68 N 0.42 0.54 -0.16 1.25 4.81 -1.39 -1.76 114.58 118.28 1xsx h GLU 68 Ca 0.34 -0.23 0.04 0.00 -0.13 0.00 0.00 59.36 59.38 1xsx h GLU 68 Cb 0.46 -0.02 -0.04 0.00 0.63 0.00 0.00 28.75 29.78 1xsx h GLU 68 CO -0.34 0.78 -0.09 -0.44 -0.73 0.00 0.00 179.01 178.19 1xsx h ASP 69 N 0.28 -0.30 -1.00 1.04 3.32 -0.50 -0.23 116.42 119.02 1xsx h ASP 69 Ca 0.06 0.07 0.05 0.00 0.02 0.00 0.00 57.03 57.23 1xsx h ASP 69 Cb 0.61 0.16 -0.06 0.00 0.22 0.00 0.00 39.33 40.27 1xsx h ASP 69 CO 0.04 -0.12 0.66 0.40 -1.72 0.00 0.00 179.24 178.49 1xsx h ILE 70 N -0.09 1.15 0.24 0.35 2.04 -0.55 -1.34 117.51 119.31 1xsx h ILE 70 Ca 0.09 -0.43 -0.01 0.00 1.00 0.00 0.00 64.86 65.52 1xsx h ILE 70 Cb 0.22 -0.20 -0.00 0.00 -0.74 0.00 0.00 36.82 36.10 1xsx h ILE 70 CO -0.22 0.23 -0.15 -0.09 0.00 0.00 0.00 178.15 177.92 1xsx h ARG 71 N 1.24 -0.36 0.83 2.37 2.43 -0.28 -1.87 114.38 118.74 1xsx h ARG 71 Ca 0.41 0.02 -0.04 0.00 -0.81 0.00 0.00 59.98 59.56 1xsx h ARG 71 Cb 0.05 0.08 0.01 0.00 -0.42 0.00 0.00 29.97 29.70 1xsx h ARG 71 CO -0.14 -0.24 -0.40 0.87 -1.51 0.00 0.00 179.97 178.55 1xsx h LYS 72 N -0.38 -1.08 -0.73 0.20 1.57 -0.63 -0.90 116.57 114.62 1xsx h LYS 72 Ca -0.02 0.07 0.12 0.00 -1.87 0.00 0.00 60.65 58.95 1xsx h LYS 72 Cb 0.31 0.24 -0.13 0.00 0.08 0.00 0.00 32.23 32.74 1xsx h LYS 72 CO 0.02 -0.72 -0.34 0.35 -0.57 0.00 0.00 179.45 178.20 1xsx h PHE 73 N -1.12 -0.94 -0.53 -1.35 3.57 -1.28 0.90 116.94 116.19 1xsx h PHE 73 Ca -0.11 0.08 0.01 0.00 3.53 0.00 0.00 57.97 61.48 1xsx h PHE 73 Cb 0.86 0.52 -0.03 0.00 2.79 0.00 0.00 35.95 40.09 1xsx h PHE 73 CO 0.04 -0.39 0.35 -0.97 -2.23 0.00 0.00 178.31 175.11 1xsx h ASN 74 N -0.10 0.58 0.01 0.41 -1.24 -1.28 2.46 115.58 116.43 1xsx h ASN 74 Ca 0.28 -0.01 -0.00 0.00 0.71 0.00 0.00 56.30 57.28 1xsx h ASN 74 Cb 0.57 -0.14 0.00 0.00 0.73 0.00 0.00 38.32 39.48 1xsx h ASN 74 CO -0.79 0.41 -0.01 -0.33 -1.29 0.00 0.00 177.43 175.43 1xsx h GLU 75 N 0.68 -0.02 -0.09 6.67 5.08 0.20 -1.53 114.58 125.57 1xsx h GLU 75 Ca 0.20 0.00 -0.21 0.00 -1.00 0.00 0.00 59.36 58.34 1xsx h GLU 75 Cb -0.03 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.23 1xsx h GLU 75 CO -0.05 0.54 -0.81 0.52 -1.00 0.00 0.00 179.01 178.21 1xsx h MET 76 N -0.59 0.60 -0.20 2.33 2.86 0.62 -1.80 114.93 118.76 1xsx h MET 76 Ca -0.00 -0.52 0.01 0.00 -2.06 0.00 0.00 59.70 57.12 1xsx h MET 76 Cb 0.56 0.12 -0.01 0.00 0.06 0.00 0.00 31.60 32.33 1xsx h MET 76 CO 0.00 1.14 0.12 -0.09 1.06 0.00 0.00 176.91 179.15 1xsx h ARG 77 N 0.39 0.24 -0.61 1.72 1.12 0.42 1.08 114.38 118.74 1xsx h ARG 77 Ca -0.06 -0.01 -0.04 0.00 -1.11 0.00 0.00 59.98 58.76 1xsx h ARG 77 Cb 1.42 -0.05 -0.03 0.00 -0.01 0.00 0.00 29.97 31.30 1xsx h ARG 77 CO 0.15 0.16 0.20 -0.22 -3.11 0.00 0.00 179.97 177.15 1xsx h LYS 78 N 0.25 0.91 -0.17 0.20 3.64 -1.28 -0.56 116.57 119.55 1xsx h LYS 78 Ca 0.07 -0.16 -0.02 0.00 -1.27 0.00 0.00 60.65 59.27 1xsx h LYS 78 Cb -0.01 -0.15 -0.01 0.00 -0.41 0.00 0.00 32.23 31.65 1xsx h LYS 78 CO -0.03 0.77 0.03 -0.97 -2.27 0.00 0.00 179.45 176.98 1xsx h ASN 79 N 0.88 0.28 0.25 4.20 -0.00 -0.40 0.99 115.58 121.79 1xsx h ASN 79 Ca 0.20 -0.26 0.01 0.00 -0.00 0.00 0.00 56.30 56.25 1xsx h ASN 79 Cb 0.23 -0.07 -0.04 0.00 -0.00 0.00 0.00 38.32 38.44 1xsx h ASN 79 CO -0.01 0.47 -0.49 -0.03 -0.00 0.00 0.00 177.43 177.37 1xsx h MET 80 N 0.08 -0.78 -0.99 6.67 1.85 0.18 1.44 114.93 123.37 1xsx h MET 80 Ca 0.05 0.05 0.07 0.00 -0.61 0.00 0.00 59.70 59.26 1xsx h MET 80 Cb 0.31 0.18 -0.07 0.00 0.43 0.00 0.00 31.60 32.45 1xsx h MET 80 CO 0.00 -0.52 0.64 0.22 -0.40 0.00 0.00 176.91 176.85 1xsx h ASP 81 N -0.81 1.02 -0.08 1.39 1.82 -1.07 2.23 116.42 120.91 1xsx h ASP 81 Ca -0.02 0.01 -0.00 0.00 -0.39 0.00 0.00 57.03 56.63 1xsx h ASP 81 Cb 0.78 -0.21 -0.00 0.00 0.68 0.00 0.00 39.33 40.58 1xsx h ASP 81 CO -0.20 0.65 0.04 -0.61 -1.61 0.00 0.00 179.24 177.50 1xsx h GLN 82 N 1.15 0.13 -0.48 0.28 5.75 0.17 0.22 115.11 122.33 1xsx h GLN 82 Ca 0.43 -0.02 -0.03 0.00 -0.15 0.00 0.00 58.65 58.88 1xsx h GLN 82 Cb 0.18 -0.02 -0.02 0.00 1.07 0.00 0.00 27.48 28.69 1xsx h GLN 82 CO -0.18 0.23 0.18 -0.07 -2.65 0.00 0.00 178.83 176.35 1xsx h LEU 83 N -0.01 0.68 -0.58 -2.39 3.38 0.31 -2.10 115.31 114.60 1xsx h LEU 83 Ca 0.03 -0.18 0.12 0.00 0.09 0.00 0.00 57.88 57.94 1xsx h LEU 83 Cb 0.15 -0.18 -0.10 0.00 0.09 0.00 0.00 40.66 40.63 1xsx h LEU 83 CO -0.00 0.67 0.01 0.50 0.09 0.00 0.00 178.44 179.71 1xsx h LYS 84 N 0.64 0.12 -0.22 1.13 3.64 0.42 0.29 116.57 122.59 1xsx h LYS 84 Ca 0.16 -0.01 -0.03 0.00 -1.27 0.00 0.00 60.65 59.50 1xsx h LYS 84 Cb 0.21 -0.03 -0.01 0.00 -0.41 0.00 0.00 32.23 31.99 1xsx h LYS 84 CO -0.01 0.08 0.01 1.49 -2.27 0.00 0.00 179.45 178.75 1xsx h GLU 85 N 0.13 0.32 -0.31 1.90 4.81 -0.48 -1.04 114.58 119.91 1xsx h GLU 85 Ca 0.30 -0.05 -0.08 0.00 -0.13 0.00 0.00 59.36 59.40 1xsx h GLU 85 Cb 0.47 -0.06 -0.02 0.00 0.63 0.00 0.00 28.75 29.78 1xsx h GLU 85 CO -0.48 0.34 -0.14 -0.22 -0.73 0.00 0.00 179.01 177.78 1xsx h LYS 86 N 0.32 0.53 0.27 1.92 3.64 0.17 -0.98 116.57 122.45 1xsx h LYS 86 Ca 0.07 -0.17 -0.01 0.00 -1.27 0.00 0.00 60.65 59.28 1xsx h LYS 86 Cb 0.20 -0.05 0.00 0.00 -0.41 0.00 0.00 32.23 31.98 1xsx h LYS 86 CO 0.00 0.67 -0.13 0.82 -2.27 0.00 0.00 179.45 178.54 1xsx h ILE 87 N 0.49 0.76 0.00 2.00 2.04 0.11 -2.48 117.51 120.42 1xsx h ILE 87 Ca 0.09 -0.62 -0.00 0.00 1.00 0.00 0.00 64.86 65.32 1xsx h ILE 87 Cb 0.54 1.09 -0.00 0.00 -0.74 0.00 0.00 36.82 37.71 1xsx h ILE 87 CO 0.03 0.12 -0.01 0.78 0.00 0.00 0.00 178.15 179.08 1xsx h ASN 88 N -0.71 0.00 0.54 1.72 4.21 -1.34 0.21 115.58 120.22 1xsx h ASN 88 Ca -0.04 0.00 -0.03 0.00 1.21 0.00 0.00 56.30 57.45 1xsx h ASN 88 Cb 0.48 0.00 0.01 0.00 -1.12 0.00 0.00 38.32 37.69 1xsx h ASN 88 CO 0.06 0.01 -0.26 -1.28 -1.29 0.00 0.00 177.43 174.68 1xsx h SER 89 N 0.00 -0.61 0.05 5.81 0.87 -0.93 0.42 113.55 119.16 1xsx h SER 89 Ca -0.00 -0.05 -0.24 0.00 -1.23 0.00 0.00 61.79 60.27 1xsx h SER 89 Cb 0.02 0.16 0.02 0.00 -0.44 0.00 0.00 62.40 62.16 1xsx h SER 89 CO 0.00 -0.27 -0.97 0.58 -0.53 0.00 0.00 176.83 175.64 1xsx h VAL 90 N -0.99 1.34 0.00 2.23 2.07 -1.26 -3.17 116.25 116.47 1xsx h VAL 90 Ca -0.07 -2.30 0.00 0.00 0.82 0.00 0.00 66.70 65.15 1xsx h VAL 90 Cb 0.63 2.63 0.00 0.00 -1.52 0.00 0.00 31.29 33.03 1xsx h VAL 90 CO 0.12 0.69 0.00 -0.11 0.02 0.00 0.00 177.57 178.29 1xsx n LEU 91 N -3.96 0.64 0.00 2.57 7.94 0.73 -4.84 117.00 120.07 1xsx n LEU 91 Ca -0.12 0.59 0.00 0.00 -1.11 0.00 0.00 56.01 55.37 1xsx n LEU 91 Cb 0.85 -0.43 0.00 0.00 0.53 0.00 0.00 43.42 44.38 1xsx n LEU 91 CO 0.53 -0.28 0.00 -1.20 -1.11 0.00 0.00 177.39 175.33 1xsx n SER 92 N -2.13 0.00 0.00 1.96 7.64 0.15 -4.45 113.62 116.79 1xsx n SER 92 Ca 0.05 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.93 1xsx n SER 92 Cb 0.34 -0.11 0.00 0.00 -1.01 0.00 0.00 64.21 63.44 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 -0.22 0.00 -1.87 0.44 2.08 -1.26 -3.01 119.36 115.53 1xsx n ILE 93 Ca 0.00 0.00 0.00 0.00 0.56 0.00 0.00 62.75 63.31 1xsx n ILE 93 Cb 0.00 0.00 0.00 0.00 -0.75 0.00 0.00 39.64 38.89 1xsx n ILE 93 CO 0.00 0.00 0.00 -2.11 0.56 0.00 0.00 176.55 175.00 1xsx n ARG 94 N 0.00 0.00 -0.87 0.38 -4.01 -1.26 -5.21 116.66 105.69 1xsx n ARG 94 Ca 0.00 -0.37 0.00 0.00 -1.04 0.00 0.00 57.85 56.44 1xsx n ARG 94 Cb 0.00 -0.22 0.00 0.00 -3.04 0.00 0.00 32.46 29.20 1xsx n ARG 94 CO 0.00 0.00 0.00 0.94 -3.04 0.00 0.00 177.63 175.53