#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xsx s LYS 2 N 0.00 4.59 0.00 0.00 3.01 -1.26 -4.65 119.74 121.44 1xsx s LYS 2 Ca 0.00 1.61 0.00 0.00 -1.01 0.00 0.00 55.97 56.57 1xsx s LYS 2 Cb 0.00 -3.35 0.00 0.00 -1.01 0.00 0.00 37.83 33.47 1xsx s LYS 2 CO 0.00 0.04 0.00 1.17 0.51 0.00 0.00 175.35 177.07 1xsx n LYS 3 N 3.00 0.00 -2.72 1.68 4.81 -1.26 -5.14 118.16 118.53 1xsx n LYS 3 Ca 0.04 0.00 -0.07 0.00 -0.87 0.00 0.00 58.31 57.41 1xsx n LYS 3 Cb 0.48 0.00 -0.02 0.00 0.02 0.00 0.00 35.03 35.51 1xsx n LYS 3 CO 0.00 0.00 0.00 1.63 1.17 0.00 0.00 177.40 180.20 1xsx n LYS 4 N 0.00 0.23 -0.98 1.64 5.02 -1.26 -2.88 118.16 119.93 1xsx n LYS 4 Ca 0.00 -1.24 0.00 0.00 -2.02 0.00 0.00 58.31 55.05 1xsx n LYS 4 Cb 0.00 1.10 0.00 0.00 -0.02 0.00 0.00 35.03 36.11 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 -3.17 0.00 4.39 2.88 -1.26 -4.28 113.62 109.99 1xsx n SER 5 Ca 0.02 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.56 1xsx n SER 5 Cb 0.24 -1.23 0.00 0.00 -0.75 0.00 0.00 64.21 62.47 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 -1.90 0.00 -0.06 -1.46 4.81 -1.26 -4.94 118.16 113.34 1xsx n LYS 6 Ca 0.00 0.00 -0.06 0.00 -0.87 0.00 0.00 58.31 57.38 1xsx n LYS 6 Cb 0.12 0.00 -0.02 0.00 0.02 0.00 0.00 35.03 35.15 1xsx n LYS 6 CO 0.00 0.00 0.00 -0.11 1.17 0.00 0.00 177.40 178.46 1xsx n LEU 7 N -0.37 1.33 0.01 3.14 7.94 -1.26 -4.43 117.00 123.35 1xsx n LEU 7 Ca 0.00 0.25 -0.00 0.00 -1.11 0.00 0.00 56.01 55.15 1xsx n LEU 7 Cb 0.00 -0.67 -0.00 0.00 0.53 0.00 0.00 43.42 43.28 1xsx n LEU 7 CO 0.00 -0.35 0.11 -0.08 -1.11 0.00 0.00 177.39 175.96 1xsx h GLU 8 N -0.69 -0.03 -0.98 1.96 4.81 -1.83 -2.57 114.58 115.26 1xsx h GLU 8 Ca 0.00 0.00 0.29 0.00 -0.13 0.00 0.00 59.36 59.52 1xsx h GLU 8 Cb 0.66 0.01 -0.18 0.00 0.63 0.00 0.00 28.75 29.86 1xsx h GLU 8 CO 0.00 -0.02 0.10 0.82 -0.73 0.00 0.00 179.01 179.19 1xsx h ILE 9 N -0.10 0.03 0.17 2.32 5.03 -1.89 0.85 117.51 123.92 1xsx h ILE 9 Ca -0.00 -0.01 -0.01 0.00 -0.12 0.00 0.00 64.86 64.72 1xsx h ILE 9 Cb 0.02 0.01 0.00 0.00 -3.03 0.00 0.00 36.82 33.83 1xsx h ILE 9 CO 0.00 0.00 -0.08 0.40 -0.68 0.00 0.00 178.15 177.80 1xsx h ILE 10 N 0.02 0.85 -1.02 -0.67 2.04 -1.78 -1.41 117.51 115.54 1xsx h ILE 10 Ca 0.63 -0.05 0.25 0.00 1.00 0.00 0.00 64.86 66.70 1xsx h ILE 10 Cb 1.36 0.88 -0.11 0.00 -0.74 0.00 0.00 36.82 38.20 1xsx h ILE 10 CO -0.89 0.01 0.63 -0.61 0.00 0.00 0.00 178.15 177.29 1xsx h GLN 11 N -0.24 0.50 -0.30 2.37 4.15 0.11 1.19 115.11 122.89 1xsx h GLN 11 Ca -0.02 -0.03 -0.06 0.00 0.77 0.00 0.00 58.65 59.31 1xsx h GLN 11 Cb 0.19 -0.11 -0.02 0.00 0.21 0.00 0.00 27.48 27.75 1xsx h GLN 11 CO 0.04 0.33 -0.06 0.00 -1.93 0.00 0.00 178.83 177.20 1xsx h ALA 12 N 1.69 1.34 -0.29 3.38 0.00 -0.19 0.11 119.26 125.31 1xsx h ALA 12 Ca 0.63 -0.23 -0.15 0.00 0.00 0.00 0.00 54.91 55.17 1xsx h ALA 12 Cb 1.34 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 18.99 1xsx h ALA 12 CO -0.41 0.45 -0.39 0.82 0.00 0.00 0.00 179.25 179.72 1xsx h ILE 13 N 0.45 1.30 -0.38 0.00 2.04 0.22 -0.41 117.51 120.73 1xsx h ILE 13 Ca 0.09 -1.57 -0.08 0.00 1.00 0.00 0.00 64.86 64.29 1xsx h ILE 13 Cb 0.39 1.62 -0.01 0.00 -0.74 0.00 0.00 36.82 38.08 1xsx h ILE 13 CO 0.02 0.51 -0.09 0.25 0.00 0.00 0.00 178.15 178.83 1xsx h LEU 14 N 0.52 0.73 -0.72 1.44 6.46 -0.64 -2.28 115.31 120.82 1xsx h LEU 14 Ca 0.03 -0.36 -0.09 0.00 -0.12 0.00 0.00 57.88 57.33 1xsx h LEU 14 Cb 0.98 -0.20 -0.02 0.00 -0.73 0.00 0.00 40.66 40.69 1xsx h LEU 14 CO 0.09 0.93 -0.05 -0.33 -0.62 0.00 0.00 178.44 178.46 1xsx h GLU 15 N 0.53 0.93 -0.32 1.25 5.08 -0.76 -1.91 114.58 119.38 1xsx h GLU 15 Ca 0.10 -0.30 -0.05 0.00 -1.00 0.00 0.00 59.36 58.10 1xsx h GLU 15 Cb 0.61 -0.08 -0.02 0.00 0.50 0.00 0.00 28.75 29.76 1xsx h GLU 15 CO 0.04 0.95 -0.03 0.00 -1.00 0.00 0.00 179.01 178.97 1xsx h ALA 16 N 1.09 1.35 0.00 3.43 0.00 -0.93 -0.96 119.26 123.24 1xsx h ALA 16 Ca 0.15 -0.22 0.00 0.00 0.00 0.00 0.00 54.91 54.84 1xsx h ALA 16 Cb 0.57 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.22 1xsx h ALA 16 CO 0.03 0.45 0.00 0.00 0.00 0.00 0.00 179.25 179.73 1xsx n LYS 18 N -1.68 0.00 -0.91 0.00 2.85 -0.37 -1.01 118.16 117.04 1xsx n LYS 18 Ca 0.07 0.05 -0.05 0.00 -1.05 0.00 0.00 58.31 57.32 1xsx n LYS 18 Cb 0.36 -1.53 -0.05 0.00 -0.65 0.00 0.00 35.03 33.15 1xsx n LYS 18 CO 0.00 0.00 0.00 0.43 -0.05 0.00 0.00 177.40 177.78 1xsx n SER 19 N -0.87 -0.76 -2.11 -5.58 7.64 -1.25 -4.80 113.62 105.89 1xsx n SER 19 Ca 0.00 -1.81 -0.03 0.00 1.01 0.00 0.00 58.87 58.04 1xsx n SER 19 Cb 0.03 0.23 -0.03 0.00 -1.01 0.00 0.00 64.21 63.43 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 0.01 -4.35 3.14 0.23 0.00 -0.80 -4.99 105.19 98.42 1xsx n GLY 20 Ca -0.22 0.85 -0.13 0.00 0.00 0.00 0.00 46.02 46.53 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 -0.38 -0.28 1.10 1.61 0.01 -0.03 -4.85 113.70 110.87 1xsx s SER 21 Ca -0.16 0.54 -0.15 0.00 1.31 0.00 0.00 55.95 57.48 1xsx s SER 21 Cb 0.01 0.52 0.24 0.00 0.21 0.00 0.00 66.02 67.00 1xsx s SER 21 CO 0.44 -0.11 1.10 -2.16 0.41 0.00 0.00 173.24 172.92 1xsx s PRO 22 N 0.37 -0.39 0.43 12.44 0.04 -1.26 -2.28 135.00 144.36 1xsx s PRO 22 Ca -0.02 0.24 0.13 0.00 0.04 0.00 0.00 61.00 61.39 1xsx s PRO 22 Cb -0.04 -1.67 1.01 0.00 0.04 0.00 0.00 34.50 33.85 1xsx s PRO 22 CO -0.02 -3.22 1.99 -0.22 0.04 0.00 0.00 177.00 175.57 1xsx h LYS 23 N -2.24 0.41 -0.46 4.56 3.64 -1.98 -2.34 116.57 118.16 1xsx h LYS 23 Ca -0.51 -0.02 -0.04 0.00 -1.27 0.00 0.00 60.65 58.81 1xsx h LYS 23 Cb 1.32 -0.09 -0.02 0.00 -0.41 0.00 0.00 32.23 33.03 1xsx h LYS 23 CO 0.47 0.27 0.15 1.79 -2.27 0.00 0.00 179.45 179.86 1xsx h THR 24 N 0.42 1.22 0.00 1.00 1.35 -2.03 -2.30 112.91 112.57 1xsx h THR 24 Ca 0.26 -0.73 0.00 0.00 -0.55 0.00 0.00 66.41 65.38 1xsx h THR 24 Cb 0.47 0.83 0.00 0.00 -1.73 0.00 0.00 68.15 67.71 1xsx h THR 24 CO -0.07 0.27 0.00 0.54 -0.25 0.00 0.00 175.52 176.01 1xsx n ARG 25 N -4.54 0.10 0.16 4.72 5.12 -0.88 -1.00 116.66 120.34 1xsx n ARG 25 Ca 0.01 0.51 0.07 0.00 -1.93 0.00 0.00 57.85 56.52 1xsx n ARG 25 Cb 0.18 -1.77 0.08 0.00 -1.16 0.00 0.00 32.46 29.79 1xsx n ARG 25 CO 0.00 0.00 0.00 0.82 -1.93 0.00 0.00 177.63 176.52 1xsx h ILE 26 N 0.00 0.37 -0.74 0.55 2.04 -1.42 -3.23 117.51 115.08 1xsx h ILE 26 Ca 0.00 -1.55 -0.02 0.00 1.00 0.00 0.00 64.86 64.29 1xsx h ILE 26 Cb 0.10 2.12 -0.03 0.00 -0.74 0.00 0.00 36.82 38.27 1xsx h ILE 26 CO 0.00 0.21 0.36 -0.03 0.00 0.00 0.00 178.15 178.70 1xsx h MET 27 N 0.00 1.05 0.00 2.37 4.05 -1.12 0.21 114.93 121.50 1xsx h MET 27 Ca -0.01 -0.14 0.00 0.00 -0.28 0.00 0.00 59.70 59.27 1xsx h MET 27 Cb 1.19 -0.20 0.00 0.00 -0.80 0.00 0.00 31.60 31.80 1xsx h MET 27 CO 0.03 0.81 0.00 0.98 0.23 0.00 0.00 176.91 178.95 1xsx n TYR 28 N -4.33 0.00 -0.08 1.39 9.36 -1.22 -0.77 117.16 121.50 1xsx n TYR 28 Ca 0.07 0.00 -0.19 0.00 3.32 0.00 0.00 57.90 61.11 1xsx n TYR 28 Cb 0.13 -0.15 -0.13 0.00 -0.63 0.00 0.00 39.34 38.56 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 -1.06 -0.46 3.61 2.98 0.00 0.74 -5.05 105.19 105.94 1xsx n GLY 29 Ca 0.01 -0.21 -0.02 0.00 0.00 0.00 0.00 46.02 45.79 1xsx n GLY 29 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1xsx s ALA 30 N -2.53 -2.11 -0.23 4.61 0.00 0.05 -5.01 121.76 116.54 1xsx s ALA 30 Ca -0.30 1.21 -0.38 0.00 0.00 0.00 0.00 51.96 52.49 1xsx s ALA 30 Cb 0.08 0.10 -0.14 0.00 0.00 0.00 0.00 23.12 23.16 1xsx s ALA 30 CO 0.67 -0.78 1.84 0.09 0.00 0.00 0.00 175.76 177.58 1xsx n ASN 31 N -0.25 2.69 -4.65 0.00 4.13 -1.26 -4.37 115.26 111.55 1xsx n ASN 31 Ca -0.03 0.98 -0.43 0.00 1.68 0.00 0.00 54.58 56.78 1xsx n ASN 31 Cb 0.60 -1.22 -0.02 0.00 -1.54 0.00 0.00 39.78 37.60 1xsx n ASN 31 CO 0.00 0.00 0.00 -0.22 0.28 0.00 0.00 177.26 177.32 1xsx s LEU 32 N 4.12 4.02 0.00 3.41 1.98 -1.26 -4.84 118.68 126.10 1xsx s LEU 32 Ca 0.98 1.32 0.00 0.00 -2.89 0.00 0.00 54.13 53.54 1xsx s LEU 32 Cb -0.94 -3.54 0.00 0.00 0.66 0.00 0.00 46.19 42.37 1xsx s LEU 32 CO 0.60 -0.85 0.44 -0.24 -1.89 0.00 0.00 176.35 174.41 1xsx n SER 33 N 6.86 0.79 0.00 3.68 2.88 -1.26 -4.68 113.62 121.89 1xsx n SER 33 Ca 0.13 -1.67 0.00 0.00 -1.33 0.00 0.00 58.87 56.00 1xsx n SER 33 Cb 0.46 -0.39 0.00 0.00 -0.75 0.00 0.00 64.21 63.53 1xsx n SER 33 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1xsx n TYR 34 N 0.05 0.00 -0.12 0.66 0.18 -1.26 0.29 117.16 116.96 1xsx n TYR 34 Ca 0.00 0.00 -0.05 0.00 1.88 0.00 0.00 57.90 59.73 1xsx n TYR 34 Cb 0.20 -0.37 0.03 0.00 -0.38 0.00 0.00 39.34 38.81 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 0.41 0.01 -3.48 0.00 -2.03 -3.10 119.26 111.07 1xsx h ALA 35 Ca 0.00 0.09 -0.40 0.00 0.00 0.00 0.00 54.91 54.60 1xsx h ALA 35 Cb 0.00 0.14 -0.06 0.00 0.00 0.00 0.00 17.79 17.87 1xsx h ALA 35 CO 0.00 -0.35 -2.28 -0.11 0.00 0.00 0.00 179.25 176.51 1xsx n LEU 36 N -5.14 2.24 -0.36 0.00 0.00 0.84 -4.48 117.00 110.10 1xsx n LEU 36 Ca 0.03 0.23 0.34 0.00 0.00 0.00 0.00 56.01 56.60 1xsx n LEU 36 Cb 0.19 -0.89 0.61 0.00 0.00 0.00 0.00 43.42 43.33 1xsx n LEU 36 CO 0.22 0.64 1.11 0.74 0.00 0.00 0.00 177.39 180.10 1xsx h THR 37 N -0.68 0.02 -0.66 1.96 2.02 -0.91 2.02 112.91 116.69 1xsx h THR 37 Ca -0.60 -0.01 0.19 0.00 0.77 0.00 0.00 66.41 66.77 1xsx h THR 37 Cb 1.67 -0.00 -0.03 0.00 -1.74 0.00 0.00 68.15 68.05 1xsx h THR 37 CO -0.27 0.00 0.71 1.23 0.37 0.00 0.00 175.52 177.56 1xsx h GLY 38 N 0.02 0.00 1.98 2.16 0.00 -1.76 2.19 103.07 107.66 1xsx h GLY 38 Ca 0.85 0.00 -0.08 0.00 0.00 0.00 0.00 47.33 48.10 1xsx h GLY 38 CO -0.67 0.00 -0.39 -0.09 0.00 0.00 0.00 176.54 175.39 1xsx h ARG 39 N 0.00 0.02 0.00 4.80 2.43 0.30 -0.60 114.38 121.33 1xsx h ARG 39 Ca 0.31 -0.01 -0.01 0.00 -0.81 0.00 0.00 59.98 59.46 1xsx h ARG 39 Cb 1.73 -0.00 0.00 0.00 -0.42 0.00 0.00 29.97 31.28 1xsx h ARG 39 CO -0.00 0.41 -0.05 1.88 -1.51 0.00 0.00 179.97 180.69 1xsx h TYR 40 N 0.02 0.05 -0.21 2.20 -1.99 0.35 -2.10 116.97 115.28 1xsx h TYR 40 Ca -0.00 -0.03 0.02 0.00 2.00 0.00 0.00 58.73 60.72 1xsx h TYR 40 Cb 0.70 -0.00 -0.02 0.00 2.00 0.00 0.00 36.73 39.40 1xsx h TYR 40 CO 0.00 0.87 0.09 0.82 -0.00 0.00 0.00 178.16 179.94 1xsx h ILE 41 N -0.80 0.97 -1.00 -2.88 2.04 -1.39 0.66 117.51 115.12 1xsx h ILE 41 Ca -0.01 -0.07 0.06 0.00 1.00 0.00 0.00 64.86 65.84 1xsx h ILE 41 Cb 0.89 0.76 -0.06 0.00 -0.74 0.00 0.00 36.82 37.66 1xsx h ILE 41 CO 0.01 0.04 0.65 0.50 0.00 0.00 0.00 178.15 179.34 1xsx h LYS 42 N 0.20 1.16 0.26 2.37 3.11 -1.19 -0.29 116.57 122.17 1xsx h LYS 42 Ca 0.09 -0.07 -0.01 0.00 -2.81 0.00 0.00 60.65 57.85 1xsx h LYS 42 Cb 0.04 -0.26 0.00 0.00 -1.00 0.00 0.00 32.23 31.02 1xsx h LYS 42 CO -0.08 0.77 -0.12 1.98 -2.81 0.00 0.00 179.45 179.18 1xsx h MET 43 N 1.19 -0.34 0.00 1.90 4.05 -0.54 0.55 114.93 121.75 1xsx h MET 43 Ca 0.42 0.02 -0.00 0.00 -0.28 0.00 0.00 59.70 59.86 1xsx h MET 43 Cb 0.13 0.08 -0.00 0.00 -0.80 0.00 0.00 31.60 31.00 1xsx h MET 43 CO -0.16 -0.18 -0.01 -0.07 0.23 0.00 0.00 176.91 176.72 1xsx h LEU 44 N -0.41 0.00 0.07 3.39 3.38 -0.27 0.18 115.31 121.63 1xsx h LEU 44 Ca -0.04 0.00 -0.20 0.00 0.09 0.00 0.00 57.88 57.73 1xsx h LEU 44 Cb 0.31 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.06 1xsx h LEU 44 CO 0.06 0.01 -1.06 0.24 0.09 0.00 0.00 178.44 177.78 1xsx h MET 45 N 0.00 0.14 0.00 1.13 2.86 -0.10 0.24 114.93 119.20 1xsx h MET 45 Ca -0.00 -0.24 -0.02 0.00 -2.06 0.00 0.00 59.70 57.38 1xsx h MET 45 Cb 0.07 0.09 -0.00 0.00 0.06 0.00 0.00 31.60 31.82 1xsx h MET 45 CO 0.00 1.11 -0.08 0.22 1.06 0.00 0.00 176.91 179.22 1xsx h ASP 46 N -0.61 0.00 0.32 1.22 1.82 0.74 -1.77 116.42 118.14 1xsx h ASP 46 Ca -0.24 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.40 1xsx h ASP 46 Cb 1.49 0.00 0.00 0.00 0.68 0.00 0.00 39.33 41.50 1xsx h ASP 46 CO -0.01 0.08 -0.70 0.18 -1.61 0.00 0.00 179.24 177.18 1xsx n LEU 47 N -4.32 0.68 -1.40 2.28 4.32 0.56 -5.01 117.00 114.10 1xsx n LEU 47 Ca -0.03 -0.18 0.00 0.00 -0.02 0.00 0.00 56.01 55.79 1xsx n LEU 47 Cb 0.16 -0.16 0.00 0.00 -1.62 0.00 0.00 43.42 41.81 1xsx n LEU 47 CO 0.34 0.16 0.00 1.21 -1.22 0.00 0.00 177.39 177.89 1xsx n GLU 48 N -1.52 0.00 0.00 3.23 4.07 -0.67 -5.03 120.64 120.72 1xsx n GLU 48 Ca 0.05 0.47 0.00 0.00 -0.06 0.00 0.00 57.16 57.61 1xsx n GLU 48 Cb 0.34 -1.36 0.00 0.00 -0.06 0.00 0.00 31.44 30.36 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 -0.43 0.00 -3.40 6.31 -0.00 0.79 -4.48 119.36 118.15 1xsx n ILE 49 Ca 0.00 0.00 -0.19 0.00 -0.00 0.00 0.00 62.75 62.56 1xsx n ILE 49 Cb 0.00 0.00 -0.01 0.00 -0.00 0.00 0.00 39.64 39.63 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 3.48 0.04 1.39 1.01 -0.97 -2.38 121.20 122.78 1xsx s ILE 50 Ca 0.00 -1.10 0.00 0.00 0.00 0.00 0.00 60.65 59.55 1xsx s ILE 50 Cb 0.00 -3.20 -0.03 0.00 0.01 0.00 0.00 42.46 39.24 1xsx s ILE 50 CO 0.00 -0.09 -0.04 -0.60 0.00 0.00 0.00 174.94 174.21 1xsx s ARG 51 N -4.19 0.50 -0.42 2.79 3.52 0.74 -4.46 118.95 117.42 1xsx s ARG 51 Ca 0.48 -0.93 -0.17 0.00 -0.13 0.00 0.00 55.73 54.98 1xsx s ARG 51 Cb -0.08 0.07 0.02 0.00 -1.56 0.00 0.00 34.95 33.39 1xsx s ARG 51 CO 0.30 -0.06 0.44 -1.14 -0.81 0.00 0.00 175.30 174.04 1xsx s GLN 52 N -2.62 3.12 -0.43 5.12 0.74 -1.26 0.47 119.66 124.80 1xsx s GLN 52 Ca -0.04 -0.73 -0.02 0.00 0.05 0.00 0.00 55.36 54.62 1xsx s GLN 52 Cb -0.02 -3.96 0.12 0.00 1.10 0.00 0.00 33.01 30.25 1xsx s GLN 52 CO -0.05 -0.84 0.21 -1.21 -0.55 0.00 0.00 175.29 172.86 1xsx s GLU 53 N 2.15 2.00 -1.36 1.67 0.41 0.62 -4.61 118.70 119.58 1xsx s GLU 53 Ca 0.12 -1.95 -0.05 0.00 -0.41 0.00 0.00 54.97 52.69 1xsx s GLU 53 Cb -0.17 -3.54 0.01 0.00 -1.78 0.00 0.00 34.13 28.64 1xsx s GLU 53 CO 0.14 -1.07 0.60 0.41 -0.49 0.00 0.00 175.26 174.84 1xsx n GLY 54 N 4.35 -0.38 2.54 -1.39 0.00 -1.26 -0.36 105.19 108.70 1xsx n GLY 54 Ca 0.00 0.04 0.00 0.00 0.00 0.00 0.00 46.02 46.06 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 -3.74 -0.08 -3.49 1.61 4.81 -1.26 -5.01 118.16 111.00 1xsx n LYS 55 Ca -0.09 0.02 -0.21 0.00 -0.87 0.00 0.00 58.31 57.17 1xsx n LYS 55 Cb 0.60 -2.92 -0.01 0.00 0.02 0.00 0.00 35.03 32.73 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 -0.12 3.22 -0.34 1.64 0.74 0.51 -4.94 119.66 120.37 1xsx s GLN 56 Ca 0.00 -0.78 -0.13 0.00 0.05 0.00 0.00 55.36 54.50 1xsx s GLN 56 Cb 0.00 -2.77 -0.01 0.00 1.10 0.00 0.00 33.01 31.32 1xsx s GLN 56 CO 0.00 0.10 0.24 0.71 -0.55 0.00 0.00 175.29 175.79 1xsx s TYR 57 N -2.21 3.23 0.44 1.67 2.02 -0.96 -0.28 117.35 121.25 1xsx s TYR 57 Ca 0.42 -0.27 0.05 0.00 -0.37 0.00 0.00 57.07 56.91 1xsx s TYR 57 Cb -0.09 -2.48 -0.06 0.00 -0.40 0.00 0.00 41.96 38.93 1xsx s TYR 57 CO 0.32 -0.38 0.03 1.41 -1.57 0.00 0.00 175.55 175.35 1xsx s MET 58 N 1.71 2.05 -0.09 -0.62 -2.45 0.18 -0.85 119.30 119.23 1xsx s MET 58 Ca 0.06 -2.18 -0.12 0.00 -1.25 0.00 0.00 55.69 52.20 1xsx s MET 58 Cb -0.17 -1.64 -0.05 0.00 1.25 0.00 0.00 34.83 34.22 1xsx s MET 58 CO 0.10 -0.15 0.28 -0.48 1.05 0.00 0.00 175.02 175.82 1xsx s LEU 59 N -3.78 4.38 0.45 4.11 2.34 -0.18 0.26 118.68 126.26 1xsx s LEU 59 Ca 0.27 0.67 0.05 0.00 0.06 0.00 0.00 54.13 55.18 1xsx s LEU 59 Cb 0.07 -2.35 0.01 0.00 -0.56 0.00 0.00 46.19 43.36 1xsx s LEU 59 CO 0.14 0.29 0.62 0.28 -1.06 0.00 0.00 176.35 176.62 1xsx s THR 60 N -0.61 3.14 0.32 5.48 -1.32 -1.00 -4.74 115.64 116.91 1xsx s THR 60 Ca 0.19 -0.86 0.08 0.00 -1.21 0.00 0.00 61.69 59.88 1xsx s THR 60 Cb -0.14 -3.10 0.33 0.00 -1.51 0.00 0.00 72.50 68.08 1xsx s THR 60 CO 0.07 -0.05 1.64 0.07 -2.21 0.00 0.00 174.62 174.14 1xsx h LYS 61 N 0.49 0.20 -0.82 7.08 -0.00 -1.96 0.61 116.57 122.18 1xsx h LYS 61 Ca -0.42 -0.01 -0.04 0.00 -0.00 0.00 0.00 60.65 60.18 1xsx h LYS 61 Cb 1.28 -0.05 -0.04 0.00 -0.00 0.00 0.00 32.23 33.43 1xsx h LYS 61 CO 0.49 0.13 0.36 0.87 -0.00 0.00 0.00 179.45 181.31 1xsx h LYS 62 N 0.21 1.20 -0.38 0.07 6.56 -1.88 -2.48 116.57 119.86 1xsx h LYS 62 Ca 0.65 -0.19 -0.06 0.00 -1.06 0.00 0.00 60.65 59.98 1xsx h LYS 62 Cb 1.42 -0.21 -0.01 0.00 -0.57 0.00 0.00 32.23 32.86 1xsx h LYS 62 CO -0.68 0.94 0.01 0.78 -2.06 0.00 0.00 179.45 178.44 1xsx h GLY 63 N 1.17 0.72 0.77 3.86 0.00 0.17 -1.63 103.07 108.14 1xsx h GLY 63 Ca 0.28 -0.52 -0.00 0.00 0.00 0.00 0.00 47.33 47.08 1xsx h GLY 63 CO -0.03 0.48 -0.00 0.83 0.00 0.00 0.00 176.54 177.82 1xsx h GLU 64 N 0.49 -0.00 -0.30 4.80 5.08 -1.32 -0.34 114.58 122.98 1xsx h GLU 64 Ca 0.11 0.00 0.07 0.00 -1.00 0.00 0.00 59.36 58.54 1xsx h GLU 64 Cb 0.46 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.69 1xsx h GLU 64 CO 0.02 0.22 0.21 0.93 -1.00 0.00 0.00 179.01 179.39 1xsx h GLU 65 N -0.23 0.10 -0.08 2.33 5.08 -1.44 -1.06 114.58 119.28 1xsx h GLU 65 Ca -0.00 -0.01 -0.21 0.00 -1.00 0.00 0.00 59.36 58.15 1xsx h GLU 65 Cb 0.23 -0.02 0.01 0.00 0.50 0.00 0.00 28.75 29.47 1xsx h GLU 65 CO 0.00 0.07 -0.76 1.25 -1.00 0.00 0.00 179.01 178.56 1xsx h LEU 66 N 0.10 0.81 -0.74 1.33 5.85 -0.78 -2.40 115.31 119.49 1xsx h LEU 66 Ca 0.14 -0.68 0.10 0.00 0.84 0.00 0.00 57.88 58.28 1xsx h LEU 66 Cb 0.43 -0.24 -0.07 0.00 0.37 0.00 0.00 40.66 41.14 1xsx h LEU 66 CO -0.01 1.37 0.38 0.25 -0.34 0.00 0.00 178.44 180.08 1xsx h LEU 67 N 0.32 0.49 -0.28 2.25 5.85 0.25 0.83 115.31 125.02 1xsx h LEU 67 Ca -0.07 0.06 -0.07 0.00 0.84 0.00 0.00 57.88 58.64 1xsx h LEU 67 Cb 1.41 -0.02 -0.01 0.00 0.37 0.00 0.00 40.66 42.41 1xsx h LEU 67 CO 0.15 0.27 -0.10 -0.33 -0.34 0.00 0.00 178.44 178.09 1xsx h GLU 68 N 0.62 0.56 -0.10 1.25 5.08 -1.45 -1.98 114.58 118.56 1xsx h GLU 68 Ca 0.37 -0.23 0.03 0.00 -1.00 0.00 0.00 59.36 58.53 1xsx h GLU 68 Cb 0.40 -0.02 -0.04 0.00 0.50 0.00 0.00 28.75 29.59 1xsx h GLU 68 CO -0.28 0.78 -0.12 -0.44 -1.00 0.00 0.00 179.01 177.95 1xsx h ASP 69 N 0.30 -0.38 -0.89 1.42 3.32 -0.74 -1.34 116.42 118.13 1xsx h ASP 69 Ca 0.07 0.07 0.04 0.00 0.02 0.00 0.00 57.03 57.22 1xsx h ASP 69 Cb 0.60 0.18 -0.05 0.00 0.22 0.00 0.00 39.33 40.28 1xsx h ASP 69 CO 0.03 -0.16 0.59 0.40 -1.72 0.00 0.00 179.24 178.37 1xsx h ILE 70 N -0.16 1.14 0.51 0.35 2.04 -0.83 -2.40 117.51 118.16 1xsx h ILE 70 Ca 0.08 -0.38 -0.02 0.00 1.00 0.00 0.00 64.86 65.54 1xsx h ILE 70 Cb 0.27 -0.06 -0.01 0.00 -0.74 0.00 0.00 36.82 36.28 1xsx h ILE 70 CO -0.19 0.20 -0.37 -0.09 0.00 0.00 0.00 178.15 177.70 1xsx h ARG 71 N 1.11 -0.82 -0.25 2.37 2.43 -0.48 -2.04 114.38 116.70 1xsx h ARG 71 Ca 0.36 0.06 0.04 0.00 -0.81 0.00 0.00 59.98 59.62 1xsx h ARG 71 Cb 0.03 0.19 -0.07 0.00 -0.42 0.00 0.00 29.97 29.70 1xsx h ARG 71 CO -0.11 -0.55 -0.52 0.87 -1.51 0.00 0.00 179.97 178.16 1xsx h LYS 72 N -0.85 -0.47 -0.64 0.20 1.57 -1.15 0.24 116.57 115.47 1xsx h LYS 72 Ca -0.07 0.03 0.07 0.00 -1.87 0.00 0.00 60.65 58.81 1xsx h LYS 72 Cb 0.70 0.11 -0.10 0.00 0.08 0.00 0.00 32.23 33.02 1xsx h LYS 72 CO 0.03 -0.31 -0.55 0.35 -0.57 0.00 0.00 179.45 178.40 1xsx h PHE 73 N -0.49 -1.71 -0.54 -1.35 3.57 -1.38 1.21 116.94 116.24 1xsx h PHE 73 Ca 0.06 0.10 0.03 0.00 3.53 0.00 0.00 57.97 61.69 1xsx h PHE 73 Cb 0.64 0.83 -0.03 0.00 2.79 0.00 0.00 35.95 40.19 1xsx h PHE 73 CO -0.62 -0.44 0.36 -0.97 -2.23 0.00 0.00 178.31 174.41 1xsx h ASN 74 N -0.24 0.56 0.99 0.41 -0.00 -0.80 2.21 115.58 118.71 1xsx h ASN 74 Ca 0.12 -0.01 -0.08 0.00 -0.00 0.00 0.00 56.30 56.33 1xsx h ASN 74 Cb 0.53 -0.13 -0.01 0.00 -0.00 0.00 0.00 38.32 38.71 1xsx h ASN 74 CO -0.73 0.39 -0.37 -0.33 -0.00 0.00 0.00 177.43 176.39 1xsx h GLU 75 N 0.65 0.00 0.03 6.67 5.08 0.35 -2.42 114.58 124.94 1xsx h GLU 75 Ca 0.21 0.00 -0.37 0.00 -1.00 0.00 0.00 59.36 58.20 1xsx h GLU 75 Cb 0.05 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 29.25 1xsx h GLU 75 CO -0.05 0.37 -2.27 -1.33 -1.00 0.00 0.00 179.01 174.72 1xsx n MET 76 N -3.44 0.68 -0.16 2.33 2.81 0.36 -3.63 117.12 116.08 1xsx n MET 76 Ca 0.00 0.16 -0.06 0.00 -1.81 0.00 0.00 57.70 55.99 1xsx n MET 76 Cb 0.54 -1.59 0.03 0.00 -0.71 0.00 0.00 33.22 31.48 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 0.56 -0.64 0.03 1.12 0.35 0.37 114.38 116.19 1xsx h ARG 77 Ca -0.51 -0.03 -0.03 0.00 -1.11 0.00 0.00 59.98 58.30 1xsx h ARG 77 Cb 2.00 -0.13 -0.03 0.00 -0.01 0.00 0.00 29.97 31.81 1xsx h ARG 77 CO -0.01 0.37 0.30 -0.22 -3.11 0.00 0.00 179.97 177.30 1xsx h LYS 78 N 0.58 0.91 -0.19 0.20 3.64 -1.62 -0.95 116.57 119.15 1xsx h LYS 78 Ca 0.19 -0.12 -0.01 0.00 -1.27 0.00 0.00 60.65 59.43 1xsx h LYS 78 Cb 0.00 -0.17 -0.01 0.00 -0.41 0.00 0.00 32.23 31.65 1xsx h LYS 78 CO -0.08 0.71 0.07 -0.97 -2.27 0.00 0.00 179.45 176.92 1xsx h ASN 79 N 0.91 0.26 0.32 4.20 -0.00 -1.21 1.00 115.58 121.05 1xsx h ASN 79 Ca 0.22 -0.17 0.00 0.00 -0.00 0.00 0.00 56.30 56.35 1xsx h ASN 79 Cb 0.11 -0.07 -0.03 0.00 -0.00 0.00 0.00 38.32 38.33 1xsx h ASN 79 CO -0.03 0.36 -0.45 -0.03 -0.00 0.00 0.00 177.43 177.29 1xsx h MET 80 N 0.15 -0.78 -0.87 6.67 4.05 0.51 1.15 114.93 125.80 1xsx h MET 80 Ca 0.06 0.05 0.07 0.00 -0.28 0.00 0.00 59.70 59.61 1xsx h MET 80 Cb 0.18 0.18 -0.06 0.00 -0.80 0.00 0.00 31.60 31.09 1xsx h MET 80 CO -0.00 -0.52 0.54 0.22 0.23 0.00 0.00 176.91 177.37 1xsx h ASP 81 N -0.81 0.84 -0.04 1.39 1.82 -1.11 2.15 116.42 120.65 1xsx h ASP 81 Ca -0.02 0.02 -0.00 0.00 -0.39 0.00 0.00 57.03 56.64 1xsx h ASP 81 Cb 0.76 -0.15 -0.00 0.00 0.68 0.00 0.00 39.33 40.61 1xsx h ASP 81 CO -0.14 0.52 0.02 -0.61 -1.61 0.00 0.00 179.24 177.42 1xsx h GLN 82 N 0.96 0.06 -0.39 0.28 5.75 -0.02 0.12 115.11 121.87 1xsx h GLN 82 Ca 0.39 -0.01 -0.03 0.00 -0.15 0.00 0.00 58.65 58.85 1xsx h GLN 82 Cb 0.22 -0.01 -0.02 0.00 1.07 0.00 0.00 27.48 28.74 1xsx h GLN 82 CO -0.19 0.15 0.13 -0.07 -2.65 0.00 0.00 178.83 176.20 1xsx h LEU 83 N -0.05 0.56 -0.49 -2.39 3.38 0.24 -2.27 115.31 114.29 1xsx h LEU 83 Ca 0.01 -0.20 0.10 0.00 0.09 0.00 0.00 57.88 57.89 1xsx h LEU 83 Cb 0.11 -0.15 -0.09 0.00 0.09 0.00 0.00 40.66 40.63 1xsx h LEU 83 CO -0.00 0.61 -0.05 0.50 0.09 0.00 0.00 178.44 179.58 1xsx h LYS 84 N 0.49 0.06 -0.76 1.13 3.64 0.39 0.27 116.57 121.79 1xsx h LYS 84 Ca 0.13 -0.00 0.08 0.00 -1.27 0.00 0.00 60.65 59.59 1xsx h LYS 84 Cb 0.24 -0.01 -0.05 0.00 -0.41 0.00 0.00 32.23 32.00 1xsx h LYS 84 CO -0.01 0.04 0.50 1.49 -2.27 0.00 0.00 179.45 179.20 1xsx h GLU 85 N 0.06 0.70 -0.40 1.90 4.81 -0.38 0.12 114.58 121.39 1xsx h GLU 85 Ca 0.24 -0.04 -0.04 0.00 -0.13 0.00 0.00 59.36 59.39 1xsx h GLU 85 Cb 0.37 -0.16 -0.02 0.00 0.63 0.00 0.00 28.75 29.57 1xsx h GLU 85 CO -0.45 0.46 0.09 0.87 -0.73 0.00 0.00 179.01 179.25 1xsx h LYS 86 N 0.72 0.58 0.16 1.92 1.57 0.06 -1.25 116.57 120.34 1xsx h LYS 86 Ca 0.34 -0.10 -0.01 0.00 -1.87 0.00 0.00 60.65 59.01 1xsx h LYS 86 Cb 0.38 -0.10 0.00 0.00 0.08 0.00 0.00 32.23 32.60 1xsx h LYS 86 CO -0.12 0.54 -0.08 0.82 -0.57 0.00 0.00 179.45 180.04 1xsx h ILE 87 N 0.57 0.96 -0.09 1.86 2.04 0.08 -2.47 117.51 120.45 1xsx h ILE 87 Ca 0.13 -0.61 -0.01 0.00 1.00 0.00 0.00 64.86 65.38 1xsx h ILE 87 Cb 0.23 1.32 -0.01 0.00 -0.74 0.00 0.00 36.82 37.62 1xsx h ILE 87 CO -0.00 0.14 0.03 0.78 0.00 0.00 0.00 178.15 179.09 1xsx h ASN 88 N -0.52 0.11 0.43 1.72 2.35 -1.24 0.13 115.58 118.56 1xsx h ASN 88 Ca -0.02 -0.01 -0.02 0.00 -0.55 0.00 0.00 56.30 55.70 1xsx h ASN 88 Cb 0.40 -0.03 0.00 0.00 0.05 0.00 0.00 38.32 38.74 1xsx h ASN 88 CO 0.04 0.11 -0.21 -1.28 -1.65 0.00 0.00 177.43 174.44 1xsx h SER 89 N 0.13 -0.49 -0.33 5.81 0.87 -0.92 2.18 113.55 120.79 1xsx h SER 89 Ca 0.03 0.02 -0.10 0.00 -1.23 0.00 0.00 61.79 60.51 1xsx h SER 89 Cb 0.05 0.13 -0.02 0.00 -0.44 0.00 0.00 62.40 62.12 1xsx h SER 89 CO -0.00 -0.31 -0.15 0.58 -0.53 0.00 0.00 176.83 176.42 1xsx h VAL 90 N -0.66 1.26 0.00 2.23 2.07 -1.40 -1.63 116.25 118.12 1xsx h VAL 90 Ca -0.06 -1.23 0.00 0.00 0.82 0.00 0.00 66.70 66.23 1xsx h VAL 90 Cb 0.44 1.10 0.00 0.00 -1.52 0.00 0.00 31.29 31.31 1xsx h VAL 90 CO 0.10 0.42 0.00 0.25 0.02 0.00 0.00 177.57 178.35 1xsx h LEU 91 N 0.70 0.00 0.00 2.57 5.85 -0.78 -3.46 115.31 120.19 1xsx h LEU 91 Ca 0.11 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.83 1xsx h LEU 91 Cb 0.64 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.67 1xsx h LEU 91 CO 0.05 0.00 0.00 -1.20 -0.34 0.00 0.00 178.44 176.95 1xsx n SER 92 N -2.37 0.00 0.00 1.25 7.64 0.73 -4.45 113.62 116.43 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 0.39 -0.23 0.00 0.00 -1.01 0.00 0.00 64.21 63.36 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 -0.47 0.00 -1.86 0.44 5.41 -1.23 -3.17 119.36 118.48 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 0.00 -0.50 0.38 -4.01 -1.26 -5.19 116.66 106.07 1xsx n ARG 94 Ca 0.00 -0.46 0.00 0.00 -1.04 0.00 0.00 57.85 56.35 1xsx n ARG 94 Cb 0.00 -0.26 0.00 0.00 -3.04 0.00 0.00 32.46 29.16 1xsx n ARG 94 CO 0.00 0.00 0.00 0.94 -3.04 0.00 0.00 177.63 175.53