#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 3.92 0.00 0.00 1.02 -1.26 -4.80 119.74 118.62 1xsx s LYS 2 Ca 0.00 0.40 0.00 0.00 0.02 0.00 0.00 55.97 56.39 1xsx s LYS 2 Cb 0.00 -3.06 0.00 0.00 -0.52 0.00 0.00 37.83 34.25 1xsx s LYS 2 CO 0.00 0.58 0.00 1.63 -0.92 0.00 0.00 175.35 176.64 1xsx n LYS 3 N 1.20 0.00 0.00 1.68 5.02 -1.26 -5.08 118.16 119.71 1xsx n LYS 3 Ca -0.09 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.20 1xsx n LYS 3 Cb 0.52 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.53 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 -1.06 0.00 0.00 1.97 5.02 -1.26 -4.63 118.16 118.19 1xsx n LYS 4 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.29 1xsx n LYS 4 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.01 1xsx n LYS 4 CO 0.00 0.00 0.00 0.43 -0.52 0.00 0.00 177.40 177.31 1xsx n SER 5 N 3.79 0.00 0.00 4.39 7.64 -1.26 0.10 113.62 128.28 1xsx n SER 5 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.88 1xsx n SER 5 Cb 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.20 1xsx n SER 5 CO 0.00 0.00 0.00 2.29 -3.01 0.00 0.00 175.04 174.32 1xsx n LYS 6 N 0.00 -0.01 -0.03 1.43 2.85 -1.26 -4.56 118.16 116.59 1xsx n LYS 6 Ca 0.00 -0.39 -0.02 0.00 -1.05 0.00 0.00 58.31 56.85 1xsx n LYS 6 Cb 0.00 -0.89 -0.01 0.00 -0.65 0.00 0.00 35.03 33.49 1xsx n LYS 6 CO 0.00 0.00 0.00 1.28 -0.05 0.00 0.00 177.40 178.63 1xsx n LEU 7 N -0.11 0.59 -0.01 -5.58 4.77 0.29 -4.46 117.00 112.49 1xsx n LEU 7 Ca 0.00 0.23 -0.00 0.00 -0.03 0.00 0.00 56.01 56.21 1xsx n LEU 7 Cb 0.02 -0.60 -0.00 0.00 -2.33 0.00 0.00 43.42 40.52 1xsx n LEU 7 CO 0.00 -0.46 0.01 -0.08 -1.33 0.00 0.00 177.39 175.53 1xsx h GLU 8 N -0.32 -0.01 -0.75 3.23 4.81 -1.86 -2.40 114.58 117.29 1xsx h GLU 8 Ca 0.00 0.00 0.28 0.00 -0.13 0.00 0.00 59.36 59.51 1xsx h GLU 8 Cb 0.24 0.00 -0.14 0.00 0.63 0.00 0.00 28.75 29.49 1xsx h GLU 8 CO 0.00 -0.00 0.29 1.51 -0.73 0.00 0.00 179.01 180.07 1xsx n ILE 9 N -2.44 -0.32 0.50 2.32 0.13 -1.26 0.18 119.36 118.47 1xsx n ILE 9 Ca -0.00 1.56 -0.20 0.00 -1.10 0.00 0.00 62.75 63.02 1xsx n ILE 9 Cb 0.00 -2.46 -0.09 0.00 -0.84 0.00 0.00 39.64 36.25 1xsx n ILE 9 CO 0.00 0.00 0.00 0.40 2.80 0.00 0.00 176.55 179.75 1xsx h ILE 10 N 0.00 0.03 -0.99 9.51 1.08 -1.78 -0.28 117.51 125.07 1xsx h ILE 10 Ca 0.58 -0.05 0.15 0.00 -0.39 0.00 0.00 64.86 65.16 1xsx h ILE 10 Cb 1.46 0.04 -0.09 0.00 -3.07 0.00 0.00 36.82 35.16 1xsx h ILE 10 CO -0.62 0.00 0.61 -0.61 -0.69 0.00 0.00 178.15 176.84 1xsx h GLN 11 N -1.31 0.85 -0.47 2.37 4.15 0.25 0.17 115.11 121.11 1xsx h GLN 11 Ca -0.13 -0.05 -0.07 0.00 0.77 0.00 0.00 58.65 59.16 1xsx h GLN 11 Cb 0.97 -0.19 -0.02 0.00 0.21 0.00 0.00 27.48 28.45 1xsx h GLN 11 CO 0.21 0.56 -0.01 0.00 -1.93 0.00 0.00 178.83 177.67 1xsx h ALA 12 N 1.58 1.10 -0.24 3.38 0.00 -0.67 0.31 119.26 124.73 1xsx h ALA 12 Ca 0.53 -0.27 -0.15 0.00 0.00 0.00 0.00 54.91 55.02 1xsx h ALA 12 Cb 0.67 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.26 1xsx h ALA 12 CO -0.32 0.57 -0.47 0.82 0.00 0.00 0.00 179.25 179.85 1xsx h ILE 13 N 0.73 1.30 -0.24 0.00 2.04 0.10 -1.73 117.51 119.72 1xsx h ILE 13 Ca 0.14 -1.67 -0.10 0.00 1.00 0.00 0.00 64.86 64.23 1xsx h ILE 13 Cb 0.46 1.62 -0.00 0.00 -0.74 0.00 0.00 36.82 38.16 1xsx h ILE 13 CO 0.02 0.53 -0.25 -0.07 0.00 0.00 0.00 178.15 178.38 1xsx h LEU 14 N 0.50 0.63 -0.82 1.44 3.38 -0.43 -2.30 115.31 117.72 1xsx h LEU 14 Ca 0.03 -0.48 -0.09 0.00 0.09 0.00 0.00 57.88 57.43 1xsx h LEU 14 Cb 1.00 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 41.56 1xsx h LEU 14 CO 0.09 0.98 -0.06 -0.33 0.09 0.00 0.00 178.44 179.22 1xsx h GLU 15 N 0.30 0.83 -0.48 1.13 5.08 -0.90 0.02 114.58 120.56 1xsx h GLU 15 Ca 0.04 -0.26 -0.09 0.00 -1.00 0.00 0.00 59.36 58.05 1xsx h GLU 15 Cb 0.81 -0.08 -0.02 0.00 0.50 0.00 0.00 28.75 29.96 1xsx h GLU 15 CO 0.06 0.87 -0.08 0.00 -1.00 0.00 0.00 179.01 178.85 1xsx h ALA 16 N 1.17 0.95 0.00 3.43 0.00 -1.27 -2.32 119.26 121.23 1xsx h ALA 16 Ca 0.14 -0.32 0.00 0.00 0.00 0.00 0.00 54.91 54.73 1xsx h ALA 16 Cb 0.54 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 18.14 1xsx h ALA 16 CO 0.03 0.62 0.00 0.00 0.00 0.00 0.00 179.25 179.90 1xsx n LYS 18 N -2.81 0.00 -1.60 0.00 2.85 -0.04 -1.07 118.16 115.49 1xsx n LYS 18 Ca 0.04 0.08 -0.04 0.00 -1.05 0.00 0.00 58.31 57.34 1xsx n LYS 18 Cb 0.45 -1.59 -0.00 0.00 -0.65 0.00 0.00 35.03 33.24 1xsx n LYS 18 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 177.40 177.80 1xsx n SER 19 N -0.90 -0.62 -2.40 -5.58 2.88 -1.24 -4.80 113.62 100.96 1xsx n SER 19 Ca 0.00 -2.05 -0.03 0.00 -1.33 0.00 0.00 58.87 55.45 1xsx n SER 19 Cb 0.09 0.24 -0.03 0.00 -0.75 0.00 0.00 64.21 63.77 1xsx n SER 19 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1xsx n GLY 20 N -0.33 -5.37 3.11 0.46 0.00 -0.45 -4.99 105.19 97.63 1xsx n GLY 20 Ca -0.18 1.00 -0.12 0.00 0.00 0.00 0.00 46.02 46.73 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 -0.59 -0.33 1.01 1.61 0.01 0.21 -4.85 113.70 110.77 1xsx s SER 21 Ca -0.16 0.62 -0.14 0.00 1.31 0.00 0.00 55.95 57.58 1xsx s SER 21 Cb 0.01 0.50 0.09 0.00 0.21 0.00 0.00 66.02 66.83 1xsx s SER 21 CO 0.43 -0.17 0.44 -2.65 0.41 0.00 0.00 173.24 171.70 1xsx n PRO 22 N 4.22 -0.82 0.26 12.44 -0.02 -1.26 -2.19 135.00 147.63 1xsx n PRO 22 Ca -0.25 -0.20 0.08 0.00 -2.02 0.00 0.00 63.50 61.11 1xsx n PRO 22 Cb 0.54 -1.90 0.65 0.00 -0.02 0.00 0.00 33.50 32.77 1xsx n PRO 22 CO 0.00 0.00 0.00 -0.22 1.98 0.00 0.00 175.50 177.26 1xsx h LYS 23 N -1.82 0.00 -0.34 -0.52 3.11 -1.95 -2.50 116.57 112.55 1xsx h LYS 23 Ca -0.47 0.00 -0.06 0.00 -2.81 0.00 0.00 60.65 57.30 1xsx h LYS 23 Cb 1.30 0.00 -0.01 0.00 -1.00 0.00 0.00 32.23 32.52 1xsx h LYS 23 CO 0.37 0.00 -0.03 1.79 -2.81 0.00 0.00 179.45 178.77 1xsx h THR 24 N 0.00 1.27 0.00 1.00 1.35 -2.01 -2.57 112.91 111.95 1xsx h THR 24 Ca 0.00 -1.04 0.00 0.00 -0.55 0.00 0.00 66.41 64.82 1xsx h THR 24 Cb 0.00 1.26 0.00 0.00 -1.73 0.00 0.00 68.15 67.69 1xsx h THR 24 CO -0.00 0.34 0.00 0.54 -0.25 0.00 0.00 175.52 176.15 1xsx n ARG 25 N -4.48 0.04 0.08 4.72 5.12 -0.94 -0.05 116.66 121.15 1xsx n ARG 25 Ca -0.02 0.25 0.12 0.00 -1.93 0.00 0.00 57.85 56.27 1xsx n ARG 25 Cb 0.30 -1.50 0.18 0.00 -1.16 0.00 0.00 32.46 30.27 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 0.00 -0.41 0.55 2.04 -1.51 -3.31 117.51 114.87 1xsx h ILE 26 Ca 0.00 -0.58 -0.07 0.00 1.00 0.00 0.00 64.86 65.21 1xsx h ILE 26 Cb 0.02 1.23 -0.01 0.00 -0.74 0.00 0.00 36.82 37.32 1xsx h ILE 26 CO 0.00 0.00 -0.00 -0.03 0.00 0.00 0.00 178.15 178.12 1xsx h MET 27 N 0.00 0.73 0.00 2.37 4.05 -0.58 -0.07 114.93 121.43 1xsx h MET 27 Ca 0.00 -0.23 0.00 0.00 -0.28 0.00 0.00 59.70 59.19 1xsx h MET 27 Cb 0.79 -0.07 0.00 0.00 -0.80 0.00 0.00 31.60 31.52 1xsx h MET 27 CO 0.00 0.81 0.00 0.98 0.23 0.00 0.00 176.91 178.93 1xsx n TYR 28 N -4.43 0.00 -0.00 1.39 9.36 -1.24 0.41 117.16 122.64 1xsx n TYR 28 Ca -0.01 0.00 0.04 0.00 3.32 0.00 0.00 57.90 61.25 1xsx n TYR 28 Cb 0.29 -0.32 -0.12 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 -1.19 -1.11 0.00 2.98 0.00 -0.07 -5.03 105.19 100.76 1xsx n GLY 29 Ca 0.01 -0.34 0.00 0.00 0.00 0.00 0.00 46.02 45.68 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 -2.39 0.00 -1.71 4.61 0.00 0.16 -4.95 120.51 116.23 1xsx n ALA 30 Ca -0.11 0.00 -0.58 0.00 0.00 0.00 0.00 53.44 52.75 1xsx n ALA 30 Cb 0.76 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 20.14 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 0.00 2.32 -4.59 0.00 2.85 -1.26 -4.19 115.26 110.40 1xsx n ASN 31 Ca 0.00 1.08 -0.42 0.00 -0.11 0.00 0.00 54.58 55.12 1xsx n ASN 31 Cb 0.00 -1.12 -0.02 0.00 1.24 0.00 0.00 39.78 39.87 1xsx n ASN 31 CO 0.00 0.00 0.00 -0.22 -2.11 0.00 0.00 177.26 174.93 1xsx s LEU 32 N 3.58 3.50 0.00 1.20 1.98 -1.26 -4.79 118.68 122.88 1xsx s LEU 32 Ca 0.99 0.62 0.00 0.00 -2.89 0.00 0.00 54.13 52.85 1xsx s LEU 32 Cb -1.10 -3.31 0.00 0.00 0.66 0.00 0.00 46.19 42.44 1xsx s LEU 32 CO 0.67 -1.60 0.31 -0.24 -1.89 0.00 0.00 176.35 173.60 1xsx n SER 33 N 9.37 0.06 -0.02 3.68 2.88 -1.26 -4.47 113.62 123.85 1xsx n SER 33 Ca 0.15 -0.68 0.01 0.00 -1.33 0.00 0.00 58.87 57.03 1xsx n SER 33 Cb 0.49 -0.03 0.02 0.00 -0.75 0.00 0.00 64.21 63.94 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 -0.35 0.04 -0.19 0.66 0.18 -1.26 0.46 117.16 116.71 1xsx n TYR 34 Ca 0.00 0.08 -0.01 0.00 1.88 0.00 0.00 57.90 59.85 1xsx n TYR 34 Cb 0.02 -0.55 0.09 0.00 -0.38 0.00 0.00 39.34 38.52 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 0.13 0.72 0.00 -3.48 0.00 -2.02 -2.74 119.26 111.88 1xsx h ALA 35 Ca 0.04 0.08 -0.41 0.00 0.00 0.00 0.00 54.91 54.61 1xsx h ALA 35 Cb 0.09 0.05 -0.06 0.00 0.00 0.00 0.00 17.79 17.86 1xsx h ALA 35 CO -0.06 -0.20 -2.28 1.28 0.00 0.00 0.00 179.25 177.99 1xsx n LEU 36 N -5.00 2.03 -0.33 0.00 4.77 1.66 -4.49 117.00 115.64 1xsx n LEU 36 Ca 0.07 0.32 0.27 0.00 -0.03 0.00 0.00 56.01 56.64 1xsx n LEU 36 Cb 0.25 -0.86 0.52 0.00 -2.33 0.00 0.00 43.42 40.99 1xsx n LEU 36 CO 0.23 0.55 1.10 0.74 -1.33 0.00 0.00 177.39 178.68 1xsx h THR 37 N -0.90 0.20 -1.22 -5.08 2.02 0.21 1.25 112.91 109.38 1xsx h THR 37 Ca -0.62 -0.07 0.35 0.00 0.77 0.00 0.00 66.41 66.84 1xsx h THR 37 Cb 1.59 -0.03 -0.05 0.00 -1.74 0.00 0.00 68.15 67.91 1xsx h THR 37 CO -0.35 0.04 1.05 1.23 0.37 0.00 0.00 175.52 177.86 1xsx h GLY 38 N 0.21 0.00 1.59 2.16 0.00 -1.68 3.05 103.07 108.40 1xsx h GLY 38 Ca 0.78 0.00 -0.15 0.00 0.00 0.00 0.00 47.33 47.95 1xsx h GLY 38 CO -0.65 0.00 -0.55 -0.09 0.00 0.00 0.00 176.54 175.24 1xsx h ARG 39 N 0.00 0.43 0.04 4.80 2.43 0.13 -1.26 114.38 120.95 1xsx h ARG 39 Ca 0.58 -0.27 -0.17 0.00 -0.81 0.00 0.00 59.98 59.31 1xsx h ARG 39 Cb 2.67 0.03 0.02 0.00 -0.42 0.00 0.00 29.97 32.27 1xsx h ARG 39 CO -0.01 0.87 -0.69 1.88 -1.51 0.00 0.00 179.97 180.51 1xsx h TYR 40 N 0.33 0.61 0.34 2.20 0.05 0.54 -2.14 116.97 118.90 1xsx h TYR 40 Ca 0.00 -0.36 -0.02 0.00 0.05 0.00 0.00 58.73 58.40 1xsx h TYR 40 Cb 1.07 -0.06 0.00 0.00 1.01 0.00 0.00 36.73 38.76 1xsx h TYR 40 CO 0.04 1.21 -0.16 0.82 -1.05 0.00 0.00 178.16 179.01 1xsx h ILE 41 N -0.16 0.68 -0.99 -2.88 2.04 -1.14 -1.11 117.51 113.96 1xsx h ILE 41 Ca -0.10 -0.21 0.07 0.00 1.00 0.00 0.00 64.86 65.62 1xsx h ILE 41 Cb 1.43 0.79 -0.07 0.00 -0.74 0.00 0.00 36.82 38.24 1xsx h ILE 41 CO 0.13 0.04 0.64 0.50 0.00 0.00 0.00 178.15 179.47 1xsx h LYS 42 N -0.57 1.11 -0.19 2.37 3.11 -1.34 -1.57 116.57 119.49 1xsx h LYS 42 Ca -0.05 -0.07 -0.01 0.00 -2.81 0.00 0.00 60.65 57.71 1xsx h LYS 42 Cb 0.42 -0.25 -0.01 0.00 -1.00 0.00 0.00 32.23 31.40 1xsx h LYS 42 CO 0.08 0.73 0.06 1.98 -2.81 0.00 0.00 179.45 179.49 1xsx h MET 43 N 1.14 0.29 0.00 1.90 4.05 -1.12 0.68 114.93 121.87 1xsx h MET 43 Ca 0.43 -0.06 -0.00 0.00 -0.28 0.00 0.00 59.70 59.78 1xsx h MET 43 Cb 0.20 -0.04 -0.00 0.00 -0.80 0.00 0.00 31.60 30.95 1xsx h MET 43 CO -0.17 0.39 -0.02 -0.07 0.23 0.00 0.00 176.91 177.26 1xsx h LEU 44 N 0.14 0.00 0.07 3.39 3.38 -0.61 0.59 115.31 122.27 1xsx h LEU 44 Ca 0.06 0.00 -0.17 0.00 0.09 0.00 0.00 57.88 57.86 1xsx h LEU 44 Cb 0.21 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.96 1xsx h LEU 44 CO -0.00 0.02 -0.87 0.24 0.09 0.00 0.00 178.44 177.92 1xsx h MET 45 N 0.00 0.16 0.00 1.13 2.86 -0.44 0.51 114.93 119.14 1xsx h MET 45 Ca -0.00 -0.27 -0.01 0.00 -2.06 0.00 0.00 59.70 57.37 1xsx h MET 45 Cb 0.06 0.10 -0.00 0.00 0.06 0.00 0.00 31.60 31.82 1xsx h MET 45 CO 0.00 1.13 -0.05 0.22 1.06 0.00 0.00 176.91 179.27 1xsx h ASP 46 N -0.61 0.00 0.34 1.22 1.82 0.12 -0.59 116.42 118.70 1xsx h ASP 46 Ca -0.19 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.45 1xsx h ASP 46 Cb 1.46 0.00 0.00 0.00 0.68 0.00 0.00 39.33 41.47 1xsx h ASP 46 CO 0.02 0.05 -0.47 0.18 -1.61 0.00 0.00 179.24 177.41 1xsx n LEU 47 N -4.44 0.80 -1.42 2.28 4.32 0.20 -4.99 117.00 113.75 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 0.13 -0.17 0.00 0.00 -1.62 0.00 0.00 43.42 41.76 1xsx n LEU 47 CO 0.34 0.17 0.00 1.21 -1.22 0.00 0.00 177.39 177.89 1xsx n GLU 48 N -1.14 0.00 0.00 3.23 4.07 -0.23 -5.02 120.64 121.55 1xsx n GLU 48 Ca 0.08 0.47 0.00 0.00 -0.06 0.00 0.00 57.16 57.65 1xsx n GLU 48 Cb 0.35 -1.42 0.00 0.00 -0.06 0.00 0.00 31.44 30.30 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 -0.66 0.00 -4.23 6.31 -0.00 0.17 -4.39 119.36 116.57 1xsx n ILE 49 Ca 0.00 0.00 -0.18 0.00 -0.00 0.00 0.00 62.75 62.57 1xsx n ILE 49 Cb 0.18 0.02 -0.15 0.00 -0.00 0.00 0.00 39.64 39.69 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 0.00 0.54 0.34 1.39 1.01 -1.09 -2.41 121.20 120.98 1xsx s ILE 50 Ca 0.00 -0.23 0.07 0.00 0.00 0.00 0.00 60.65 60.49 1xsx s ILE 50 Cb 0.00 -0.50 -0.02 0.00 0.01 0.00 0.00 42.46 41.95 1xsx s ILE 50 CO 0.00 0.18 0.38 -0.60 0.00 0.00 0.00 174.94 174.91 1xsx s ARG 51 N 0.24 2.92 -0.36 2.79 3.52 0.21 -4.50 118.95 123.78 1xsx s ARG 51 Ca -0.03 -1.15 -0.11 0.00 -0.13 0.00 0.00 55.73 54.30 1xsx s ARG 51 Cb -0.07 -2.65 0.01 0.00 -1.56 0.00 0.00 34.95 30.68 1xsx s ARG 51 CO -0.00 0.08 0.21 -1.14 -0.81 0.00 0.00 175.30 173.63 1xsx s GLN 52 N -4.09 3.07 -0.40 5.12 0.74 -1.26 -1.22 119.66 121.62 1xsx s GLN 52 Ca 0.43 -0.92 -0.05 0.00 0.05 0.00 0.00 55.36 54.87 1xsx s GLN 52 Cb -0.08 -3.73 0.09 0.00 1.10 0.00 0.00 33.01 30.40 1xsx s GLN 52 CO 0.29 -0.60 0.21 -2.00 -0.55 0.00 0.00 175.29 172.64 1xsx s GLU 53 N 1.61 2.30 -1.45 1.67 2.12 0.18 -4.59 118.70 120.54 1xsx s GLU 53 Ca 0.04 -1.63 -0.09 0.00 0.36 0.00 0.00 54.97 53.65 1xsx s GLU 53 Cb -0.18 -3.63 0.05 0.00 0.26 0.00 0.00 34.13 30.62 1xsx s GLU 53 CO 0.07 -0.99 0.75 0.41 -0.54 0.00 0.00 175.26 174.96 1xsx n GLY 54 N 4.74 -0.51 2.09 -1.50 0.00 -1.26 0.95 105.19 109.70 1xsx n GLY 54 Ca -0.07 0.15 0.00 0.00 0.00 0.00 0.00 46.02 46.10 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 -4.25 0.00 -4.02 1.61 4.81 -1.26 -5.02 118.16 110.03 1xsx n LYS 55 Ca -0.03 0.00 -0.22 0.00 -0.87 0.00 0.00 58.31 57.20 1xsx n LYS 55 Cb 0.56 -2.71 -0.03 0.00 0.02 0.00 0.00 35.03 32.87 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 -0.06 3.26 -0.27 1.64 0.74 0.27 -4.83 119.66 120.41 1xsx s GLN 56 Ca 0.00 -0.85 -0.09 0.00 0.05 0.00 0.00 55.36 54.47 1xsx s GLN 56 Cb 0.00 -2.78 -0.03 0.00 1.10 0.00 0.00 33.01 31.29 1xsx s GLN 56 CO 0.00 0.43 0.13 0.71 -0.55 0.00 0.00 175.29 176.01 1xsx s TYR 57 N -2.01 3.15 0.38 1.67 1.51 -0.93 0.49 117.35 121.61 1xsx s TYR 57 Ca 0.34 -0.25 0.04 0.00 -1.01 0.00 0.00 57.07 56.18 1xsx s TYR 57 Cb -0.09 -2.31 -0.04 0.00 -0.11 0.00 0.00 41.96 39.41 1xsx s TYR 57 CO 0.28 -0.31 0.08 0.00 -1.11 0.00 0.00 175.55 174.49 1xsx s MET 58 N 1.67 1.83 -0.01 -0.62 0.23 -0.35 0.67 119.30 122.72 1xsx s MET 58 Ca 0.06 -2.08 -0.12 0.00 -1.03 0.00 0.00 55.69 52.53 1xsx s MET 58 Cb -0.16 -0.86 -0.05 0.00 -1.53 0.00 0.00 34.83 32.23 1xsx s MET 58 CO 0.07 -0.32 0.34 -0.48 -2.03 0.00 0.00 175.02 172.60 1xsx s LEU 59 N -3.58 4.43 0.39 0.18 2.34 -0.24 0.68 118.68 122.88 1xsx s LEU 59 Ca 0.28 0.80 0.04 0.00 0.06 0.00 0.00 54.13 55.32 1xsx s LEU 59 Cb 0.06 -2.57 -0.00 0.00 -0.56 0.00 0.00 46.19 43.11 1xsx s LEU 59 CO 0.14 0.31 0.56 0.42 -1.06 0.00 0.00 176.35 176.71 1xsx s THR 60 N -1.15 3.86 0.29 5.48 -4.23 -1.01 -4.59 115.64 114.28 1xsx s THR 60 Ca 0.24 -0.83 0.02 0.00 -1.18 0.00 0.00 61.69 59.94 1xsx s THR 60 Cb -0.15 -3.37 0.32 0.00 1.34 0.00 0.00 72.50 70.65 1xsx s THR 60 CO 0.13 -0.18 1.63 0.11 -0.54 0.00 0.00 174.62 175.77 1xsx h LYS 61 N 0.67 0.16 -0.26 3.99 1.57 -1.94 1.21 116.57 121.96 1xsx h LYS 61 Ca -0.45 -0.01 -0.04 0.00 -1.87 0.00 0.00 60.65 58.28 1xsx h LYS 61 Cb 1.26 -0.04 -0.01 0.00 0.08 0.00 0.00 32.23 33.52 1xsx h LYS 61 CO 0.53 0.10 -0.01 0.87 -0.57 0.00 0.00 179.45 180.37 1xsx h LYS 62 N 0.16 0.39 -0.19 3.15 1.79 -1.90 -2.36 116.57 117.60 1xsx h LYS 62 Ca 0.55 -0.07 -0.16 0.00 -2.18 0.00 0.00 60.65 58.79 1xsx h LYS 62 Cb 1.12 -0.06 0.00 0.00 -1.58 0.00 0.00 32.23 31.71 1xsx h LYS 62 CO -0.70 0.43 -0.50 0.78 -1.08 0.00 0.00 179.45 178.38 1xsx h GLY 63 N 0.72 0.74 0.73 3.86 0.00 0.13 -1.99 103.07 107.26 1xsx h GLY 63 Ca 0.08 -0.93 -0.00 0.00 0.00 0.00 0.00 47.33 46.48 1xsx h GLY 63 CO 0.01 0.83 -0.00 0.83 0.00 0.00 0.00 176.54 178.21 1xsx h GLU 64 N 0.37 -0.00 -0.85 4.80 5.08 -1.12 0.52 114.58 123.38 1xsx h GLU 64 Ca -0.01 0.00 0.06 0.00 -1.00 0.00 0.00 59.36 58.41 1xsx h GLU 64 Cb 1.12 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 30.31 1xsx h GLU 64 CO 0.11 0.27 0.55 0.93 -1.00 0.00 0.00 179.01 179.87 1xsx h GLU 65 N -0.28 0.93 -0.24 2.33 5.08 -1.49 -1.53 114.58 119.38 1xsx h GLU 65 Ca -0.00 -0.06 -0.19 0.00 -1.00 0.00 0.00 59.36 58.11 1xsx h GLU 65 Cb 0.28 -0.21 0.00 0.00 0.50 0.00 0.00 28.75 29.32 1xsx h GLU 65 CO 0.00 0.62 -0.60 1.25 -1.00 0.00 0.00 179.01 179.27 1xsx h LEU 66 N 0.96 0.91 -0.58 1.33 5.85 -1.13 -2.39 115.31 120.25 1xsx h LEU 66 Ca 0.36 -0.52 0.09 0.00 0.84 0.00 0.00 57.88 58.65 1xsx h LEU 66 Cb 0.19 -0.26 -0.07 0.00 0.37 0.00 0.00 40.66 40.88 1xsx h LEU 66 CO -0.13 1.30 0.20 0.25 -0.34 0.00 0.00 178.44 179.73 1xsx h LEU 67 N 0.60 0.18 -0.42 2.25 5.85 0.12 0.27 115.31 124.17 1xsx h LEU 67 Ca -0.00 0.08 -0.07 0.00 0.84 0.00 0.00 57.88 58.72 1xsx h LEU 67 Cb 1.21 0.07 -0.01 0.00 0.37 0.00 0.00 40.66 42.29 1xsx h LEU 67 CO 0.13 0.11 -0.03 -0.33 -0.34 0.00 0.00 178.44 177.98 1xsx h GLU 68 N 0.37 0.76 -0.33 1.25 5.08 -1.40 -2.20 114.58 118.11 1xsx h GLU 68 Ca 0.29 -0.26 0.03 0.00 -1.00 0.00 0.00 59.36 58.42 1xsx h GLU 68 Cb 0.36 -0.06 -0.03 0.00 0.50 0.00 0.00 28.75 29.52 1xsx h GLU 68 CO -0.31 0.85 0.15 -0.44 -1.00 0.00 0.00 179.01 178.26 1xsx h ASP 69 N 0.58 0.20 -0.99 1.42 3.32 -0.70 -1.42 116.42 118.83 1xsx h ASP 69 Ca 0.11 0.02 0.07 0.00 0.02 0.00 0.00 57.03 57.26 1xsx h ASP 69 Cb 0.53 -0.01 -0.07 0.00 0.22 0.00 0.00 39.33 40.00 1xsx h ASP 69 CO 0.03 0.15 0.64 0.40 -1.72 0.00 0.00 179.24 178.74 1xsx h ILE 70 N 0.31 1.07 -0.47 0.35 2.04 -0.34 -1.53 117.51 118.94 1xsx h ILE 70 Ca 0.14 -0.39 0.03 0.00 1.00 0.00 0.00 64.86 65.65 1xsx h ILE 70 Cb 0.08 -0.17 -0.04 0.00 -0.74 0.00 0.00 36.82 35.95 1xsx h ILE 70 CO -0.12 0.21 0.25 -0.09 0.00 0.00 0.00 178.15 178.40 1xsx h ARG 71 N 1.14 0.48 0.78 2.37 2.43 -0.64 -2.41 114.38 118.54 1xsx h ARG 71 Ca 0.43 -0.03 -0.04 0.00 -0.81 0.00 0.00 59.98 59.54 1xsx h ARG 71 Cb 0.20 -0.11 0.01 0.00 -0.42 0.00 0.00 29.97 29.65 1xsx h ARG 71 CO -0.18 0.32 -0.38 0.87 -1.51 0.00 0.00 179.97 179.09 1xsx h LYS 72 N 0.50 -1.01 -0.79 0.20 1.57 -0.65 -0.20 116.57 116.17 1xsx h LYS 72 Ca 0.20 0.07 0.10 0.00 -1.87 0.00 0.00 60.65 59.15 1xsx h LYS 72 Cb 0.08 0.23 -0.12 0.00 0.08 0.00 0.00 32.23 32.50 1xsx h LYS 72 CO -0.12 -0.68 -0.48 0.35 -0.57 0.00 0.00 179.45 177.94 1xsx h PHE 73 N -1.09 -1.47 -0.47 -1.35 3.57 -1.36 1.37 116.94 116.14 1xsx h PHE 73 Ca -0.11 0.10 0.01 0.00 3.53 0.00 0.00 57.97 61.51 1xsx h PHE 73 Cb 0.81 0.75 -0.02 0.00 2.79 0.00 0.00 35.95 40.27 1xsx h PHE 73 CO 0.04 -0.41 0.31 -0.97 -2.23 0.00 0.00 178.31 175.06 1xsx h ASN 74 N -0.12 0.52 0.04 0.41 -0.73 -1.42 2.29 115.58 116.56 1xsx h ASN 74 Ca 0.20 -0.01 -0.21 0.00 1.87 0.00 0.00 56.30 58.15 1xsx h ASN 74 Cb 0.53 -0.13 0.00 0.00 0.27 0.00 0.00 38.32 38.99 1xsx h ASN 74 CO -0.83 0.37 -0.78 -0.08 -0.37 0.00 0.00 177.43 175.74 1xsx h GLU 75 N 0.61 0.62 0.16 6.67 4.81 0.25 -2.14 114.58 125.56 1xsx h GLU 75 Ca 0.18 -0.52 -0.32 0.00 -0.13 0.00 0.00 59.36 58.56 1xsx h GLU 75 Cb -0.03 0.11 0.01 0.00 0.63 0.00 0.00 28.75 29.47 1xsx h GLU 75 CO -0.04 1.14 -1.57 0.52 -0.73 0.00 0.00 179.01 178.33 1xsx h MET 76 N 0.42 0.34 -0.36 1.92 2.86 0.24 -2.91 114.93 117.43 1xsx h MET 76 Ca -0.05 -0.58 0.03 0.00 -2.06 0.00 0.00 59.70 57.04 1xsx h MET 76 Cb 1.39 0.21 -0.03 0.00 0.06 0.00 0.00 31.60 33.23 1xsx h MET 76 CO 0.15 1.23 0.17 -0.09 1.06 0.00 0.00 176.91 179.43 1xsx h ARG 77 N 0.09 0.35 -0.27 1.72 1.12 0.38 0.65 114.38 118.41 1xsx h ARG 77 Ca -0.27 -0.02 -0.06 0.00 -1.11 0.00 0.00 59.98 58.53 1xsx h ARG 77 Cb 2.06 -0.08 -0.02 0.00 -0.01 0.00 0.00 29.97 31.93 1xsx h ARG 77 CO 0.19 0.23 -0.08 -0.22 -3.11 0.00 0.00 179.97 176.98 1xsx h LYS 78 N 0.36 0.44 -0.28 0.20 3.64 -1.49 -2.29 116.57 117.15 1xsx h LYS 78 Ca 0.15 -0.11 -0.00 0.00 -1.27 0.00 0.00 60.65 59.42 1xsx h LYS 78 Cb 0.07 -0.06 -0.01 0.00 -0.41 0.00 0.00 32.23 31.82 1xsx h LYS 78 CO -0.12 0.53 0.16 -0.97 -2.27 0.00 0.00 179.45 176.78 1xsx h ASN 79 N 0.42 0.34 0.14 4.20 -0.00 -0.91 0.19 115.58 119.97 1xsx h ASN 79 Ca 0.08 -0.07 0.02 0.00 -0.00 0.00 0.00 56.30 56.33 1xsx h ASN 79 Cb 0.40 -0.09 -0.04 0.00 -0.00 0.00 0.00 38.32 38.59 1xsx h ASN 79 CO 0.02 0.32 -0.34 -0.03 -0.00 0.00 0.00 177.43 177.40 1xsx h MET 80 N 0.34 -0.56 -0.85 6.67 4.05 -0.38 1.80 114.93 126.00 1xsx h MET 80 Ca 0.10 0.04 0.02 0.00 -0.28 0.00 0.00 59.70 59.58 1xsx h MET 80 Cb 0.05 0.13 -0.05 0.00 -0.80 0.00 0.00 31.60 30.93 1xsx h MET 80 CO -0.02 -0.37 0.56 0.22 0.23 0.00 0.00 176.91 177.53 1xsx h ASP 81 N -0.58 0.95 0.07 1.39 3.58 -1.29 2.37 116.42 122.91 1xsx h ASP 81 Ca 0.02 -0.02 -0.00 0.00 0.42 0.00 0.00 57.03 57.45 1xsx h ASP 81 Cb 0.60 -0.23 0.00 0.00 1.72 0.00 0.00 39.33 41.42 1xsx h ASP 81 CO -0.19 0.67 -0.04 -0.61 -2.88 0.00 0.00 179.24 176.20 1xsx h GLN 82 N 1.12 -0.10 -0.56 0.28 5.75 0.23 0.75 115.11 122.59 1xsx h GLN 82 Ca 0.32 0.01 -0.01 0.00 -0.15 0.00 0.00 58.65 58.82 1xsx h GLN 82 Cb -0.08 0.02 -0.03 0.00 1.07 0.00 0.00 27.48 28.47 1xsx h GLN 82 CO -0.09 0.03 0.32 -0.07 -2.65 0.00 0.00 178.83 176.37 1xsx h LEU 83 N -0.20 0.69 -0.82 -2.39 3.38 0.35 -1.56 115.31 114.75 1xsx h LEU 83 Ca -0.01 -0.08 0.16 0.00 0.09 0.00 0.00 57.88 58.03 1xsx h LEU 83 Cb 0.17 -0.18 -0.10 0.00 0.09 0.00 0.00 40.66 40.64 1xsx h LEU 83 CO 0.02 0.57 0.38 0.50 0.09 0.00 0.00 178.44 180.00 1xsx h LYS 84 N 0.75 0.50 -0.53 1.13 3.64 0.46 0.11 116.57 122.63 1xsx h LYS 84 Ca 0.20 -0.03 -0.07 0.00 -1.27 0.00 0.00 60.65 59.48 1xsx h LYS 84 Cb 0.03 -0.11 -0.02 0.00 -0.41 0.00 0.00 32.23 31.71 1xsx h LYS 84 CO -0.03 0.33 0.05 1.49 -2.27 0.00 0.00 179.45 179.01 1xsx h GLU 85 N 0.51 0.86 -0.87 1.90 4.81 0.10 -1.98 114.58 119.91 1xsx h GLU 85 Ca 0.46 -0.22 -0.02 0.00 -0.13 0.00 0.00 59.36 59.45 1xsx h GLU 85 Cb 0.72 -0.11 -0.04 0.00 0.63 0.00 0.00 28.75 29.95 1xsx h GLU 85 CO -0.41 0.83 0.45 -0.22 -0.73 0.00 0.00 179.01 178.93 1xsx h LYS 86 N 0.81 1.23 -0.25 1.92 3.64 -0.20 -1.44 116.57 122.28 1xsx h LYS 86 Ca 0.16 -0.16 -0.01 0.00 -1.27 0.00 0.00 60.65 59.37 1xsx h LYS 86 Cb 0.42 -0.23 -0.01 0.00 -0.41 0.00 0.00 32.23 31.99 1xsx h LYS 86 CO 0.01 0.92 0.10 0.82 -2.27 0.00 0.00 179.45 179.03 1xsx h ILE 87 N 1.23 1.17 -0.36 2.00 2.04 -0.82 -2.25 117.51 120.52 1xsx h ILE 87 Ca 0.30 -0.52 0.01 0.00 1.00 0.00 0.00 64.86 65.66 1xsx h ILE 87 Cb 0.07 1.05 -0.02 0.00 -0.74 0.00 0.00 36.82 37.18 1xsx h ILE 87 CO -0.04 0.17 0.24 -0.55 0.00 0.00 0.00 178.15 177.97 1xsx h ASN 88 N 0.25 0.38 -0.18 1.72 -1.07 -0.91 0.10 115.58 115.87 1xsx h ASN 88 Ca 0.08 -0.01 -0.04 0.00 0.07 0.00 0.00 56.30 56.40 1xsx h ASN 88 Cb 0.18 -0.09 -0.01 0.00 -2.07 0.00 0.00 38.32 36.33 1xsx h ASN 88 CO -0.01 0.27 -0.05 -1.28 0.07 0.00 0.00 177.43 176.43 1xsx h SER 89 N 0.44 0.36 0.09 6.14 0.87 -0.71 0.66 113.55 121.40 1xsx h SER 89 Ca 0.14 -0.38 -0.17 0.00 -1.23 0.00 0.00 61.79 60.15 1xsx h SER 89 Cb 0.02 -0.10 0.02 0.00 -0.44 0.00 0.00 62.40 61.90 1xsx h SER 89 CO -0.03 0.65 -0.72 0.58 -0.53 0.00 0.00 176.83 176.78 1xsx h VAL 90 N 0.06 1.49 0.00 2.23 2.07 -1.12 -3.14 116.25 117.84 1xsx h VAL 90 Ca 0.04 -2.37 0.00 0.00 0.82 0.00 0.00 66.70 65.19 1xsx h VAL 90 Cb 0.50 3.00 0.00 0.00 -1.52 0.00 0.00 31.29 33.27 1xsx h VAL 90 CO 0.02 0.68 0.00 -0.11 0.02 0.00 0.00 177.57 178.17 1xsx n LEU 91 N -4.17 0.43 0.00 2.57 7.94 0.33 -4.83 117.00 119.27 1xsx n LEU 91 Ca -0.13 0.56 0.00 0.00 -1.11 0.00 0.00 56.01 55.34 1xsx n LEU 91 Cb 0.76 -0.45 0.00 0.00 0.53 0.00 0.00 43.42 44.26 1xsx n LEU 91 CO 0.48 -0.22 0.00 -1.20 -1.11 0.00 0.00 177.39 175.34 1xsx n SER 92 N -1.92 0.00 0.00 1.96 7.64 0.23 -4.46 113.62 117.06 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 0.32 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.52 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 0.00 0.00 -2.87 0.44 5.41 -1.25 -3.74 119.36 117.35 1xsx n ILE 93 Ca 0.00 0.00 -0.04 0.00 1.00 0.00 0.00 62.75 63.71 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 0.00 0.00 0.00 0.00 176.55 176.55 1xsx s ARG 94 N 0.00 1.02 0.00 0.38 1.70 -1.26 -5.22 118.95 115.57 1xsx s ARG 94 Ca 0.00 -0.97 0.00 0.00 -0.47 0.00 0.00 55.73 54.29 1xsx s ARG 94 Cb 0.00 -0.09 0.00 0.00 -0.57 0.00 0.00 34.95 34.29 1xsx s ARG 94 CO 0.00 -1.31 0.00 0.94 -1.08 0.00 0.00 175.30 173.85