#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kno s ARG 3 N 0.00 3.45 -0.73 0.54 3.52 -1.26 -5.06 118.95 119.41 3kno s ARG 3 Ca 0.00 -0.47 0.04 0.00 -0.13 0.00 0.00 55.73 55.17 3kno s ARG 3 Cb 0.00 -2.89 0.27 0.00 -1.56 0.00 0.00 34.95 30.77 3kno s ARG 3 CO 0.00 0.40 0.92 0.00 -0.81 0.00 0.00 175.30 175.81 3kno n ALA 4 N 3.05 4.36 -0.79 6.12 0.00 -1.26 -5.08 120.51 126.91 3kno n ALA 4 Ca -0.18 -4.78 -0.34 0.00 0.00 0.00 0.00 53.44 48.15 3kno n ALA 4 Cb 0.53 -1.19 0.12 0.00 0.00 0.00 0.00 19.45 18.91 3kno n ALA 4 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.50 177.86 3kno n LYS 5 N 0.86 -0.73 -0.21 0.00 2.85 -1.26 -4.76 118.16 114.91 3kno n LYS 5 Ca 0.30 -0.19 -0.02 0.00 -1.05 0.00 0.00 58.31 57.35 3kno n LYS 5 Cb 0.39 -1.63 0.05 0.00 -0.65 0.00 0.00 35.03 33.20 3kno n LYS 5 CO 0.00 0.00 0.00 1.15 -0.05 0.00 0.00 177.40 178.50 3kno h THR 6 N -1.64 0.33 0.00 0.58 2.02 -2.06 -3.44 112.91 108.70 3kno h THR 6 Ca -0.47 0.00 0.00 0.00 0.77 0.00 0.00 66.41 66.71 3kno h THR 6 Cb 1.32 0.33 0.00 0.00 -1.74 0.00 0.00 68.15 68.06 3kno h THR 6 CO 0.33 0.00 0.00 0.61 0.37 0.00 0.00 175.52 176.83 3kno n GLY 7 N -1.43 1.13 1.27 2.16 0.00 -1.26 -4.14 105.19 102.91 3kno n GLY 7 Ca 0.07 -0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.09 3kno n GLY 7 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 3kno n VAL 8 N 0.00 0.00 0.00 1.61 0.31 -1.26 -5.03 118.33 113.96 3kno n VAL 8 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.33 3kno n VAL 8 Cb 0.00 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 32.93 3kno n VAL 8 CO 0.00 0.00 0.00 0.52 -1.32 0.00 0.00 176.83 176.03 3kno n VAL 9 N -1.96 0.00 -0.10 2.52 0.31 -1.26 0.24 118.33 118.09 3kno n VAL 9 Ca 0.00 0.00 -0.06 0.00 -0.01 0.00 0.00 64.34 64.27 3kno n VAL 9 Cb 0.00 0.00 0.01 0.00 -0.91 0.00 0.00 33.84 32.94 3kno n VAL 9 CO 0.00 0.00 0.00 -0.09 -1.32 0.00 0.00 176.83 175.42 3kno h ARG 10 N 0.00 -0.08 -0.17 5.55 2.43 -1.96 0.49 114.38 120.65 3kno h ARG 10 Ca 0.00 0.01 0.03 0.00 -0.81 0.00 0.00 59.98 59.21 3kno h ARG 10 Cb 0.00 0.02 -0.03 0.00 -0.42 0.00 0.00 29.97 29.54 3kno h ARG 10 CO 0.00 -0.05 -0.04 -0.09 -1.51 0.00 0.00 179.97 178.27 3kno h ARG 11 N -0.08 -0.00 0.10 0.20 2.43 -0.62 -1.00 114.38 115.40 3kno h ARG 11 Ca 0.18 0.00 -0.00 0.00 -0.81 0.00 0.00 59.98 59.35 3kno h ARG 11 Cb 0.35 0.00 -0.00 0.00 -0.42 0.00 0.00 29.97 29.90 3kno h ARG 11 CO -0.41 -0.00 -0.07 0.00 -1.51 0.00 0.00 179.97 177.97 3kno h ARG 12 N -0.01 -0.16 -1.00 0.20 3.08 -1.37 -1.13 114.38 114.00 3kno h ARG 12 Ca 0.08 0.01 0.39 0.00 0.07 0.00 0.00 59.98 60.53 3kno h ARG 12 Cb 0.13 0.04 -0.18 0.00 0.08 0.00 0.00 29.97 30.04 3kno h ARG 12 CO -0.17 -0.11 0.50 0.87 -1.07 0.00 0.00 179.97 179.99 3kno h LYS 13 N -0.17 0.05 0.18 0.04 1.57 0.00 -0.83 116.57 117.41 3kno h LYS 13 Ca -0.01 -0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.76 3kno h LYS 13 Cb 0.14 -0.01 0.00 0.00 0.08 0.00 0.00 32.23 32.44 3kno h LYS 13 CO 0.00 0.03 -0.09 0.45 -0.57 0.00 0.00 179.45 179.28 3kno h HIS 14 N 0.05 -0.22 -0.99 -1.35 3.86 -1.08 -3.27 115.15 112.15 3kno h HIS 14 Ca 0.81 -0.01 0.29 0.00 -1.16 0.00 0.00 60.37 60.30 3kno h HIS 14 Cb 2.08 0.07 -0.04 0.00 1.06 0.00 0.00 27.41 30.58 3kno h HIS 14 CO -0.05 -0.14 0.97 -0.22 0.86 0.00 0.00 177.93 179.35 3kno h LYS 15 N -0.72 0.00 -0.30 2.45 3.11 -0.61 0.76 116.57 121.25 3kno h LYS 15 Ca -0.02 0.00 -0.01 0.00 -2.81 0.00 0.00 60.65 57.80 3kno h LYS 15 Cb 0.18 0.00 -0.01 0.00 -1.00 0.00 0.00 32.23 31.40 3kno h LYS 15 CO 0.04 0.00 0.14 -0.22 -2.81 0.00 0.00 179.45 176.60 3kno h LYS 16 N 0.00 0.44 0.23 1.90 3.64 -1.22 -2.00 116.57 119.56 3kno h LYS 16 Ca 0.47 -0.07 -0.01 0.00 -1.27 0.00 0.00 60.65 59.77 3kno h LYS 16 Cb 2.40 -0.08 0.00 0.00 -0.41 0.00 0.00 32.23 34.14 3kno h LYS 16 CO -0.00 0.42 -0.11 0.82 -2.27 0.00 0.00 179.45 178.31 3kno h ILE 17 N 0.36 0.83 -1.16 2.00 1.08 0.45 -2.90 117.51 118.17 3kno h ILE 17 Ca 0.10 -0.64 0.34 0.00 -0.39 0.00 0.00 64.86 64.28 3kno h ILE 17 Cb 0.13 1.19 -0.11 0.00 -3.07 0.00 0.00 36.82 34.96 3kno h ILE 17 CO -0.01 0.14 0.74 -0.07 -0.69 0.00 0.00 178.15 178.26 3kno h LEU 18 N -0.65 0.35 -0.35 1.44 3.38 -1.34 1.22 115.31 119.36 3kno h LEU 18 Ca -0.03 0.11 -0.19 0.00 0.09 0.00 0.00 57.88 57.86 3kno h LEU 18 Cb 0.46 0.07 -0.00 0.00 0.09 0.00 0.00 40.66 41.28 3kno h LEU 18 CO 0.05 -0.04 -0.67 0.11 0.09 0.00 0.00 178.44 177.99 3kno h LYS 19 N 0.25 0.63 0.00 1.13 1.57 -1.33 -2.06 116.57 116.75 3kno h LYS 19 Ca 0.70 -0.46 0.00 0.00 -1.87 0.00 0.00 60.65 59.02 3kno h LYS 19 Cb 1.98 0.08 0.00 0.00 0.08 0.00 0.00 32.23 34.37 3kno h LYS 19 CO -0.36 1.08 0.00 -0.11 -0.57 0.00 0.00 179.45 179.49 3kno n LEU 20 N -3.92 0.29 -0.12 2.94 -0.00 0.40 -2.96 117.00 113.62 3kno n LEU 20 Ca -0.05 0.57 0.08 0.00 -0.00 0.00 0.00 56.01 56.62 3kno n LEU 20 Cb 0.68 -0.54 -0.07 0.00 -0.00 0.00 0.00 43.42 43.49 3kno n LEU 20 CO 0.49 -0.41 0.05 0.00 -0.00 0.00 0.00 177.39 177.53 3kno n ALA 21 N -1.62 3.95 -1.62 1.96 0.00 0.02 -5.00 120.51 118.20 3kno n ALA 21 Ca 0.03 -0.51 -0.49 0.00 0.00 0.00 0.00 53.44 52.47 3kno n ALA 21 Cb 0.18 -0.62 -0.05 0.00 0.00 0.00 0.00 19.45 18.96 3kno n ALA 21 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 3kno n LYS 22 N -1.02 1.55 0.00 0.00 4.76 -1.07 -2.27 118.16 120.12 3kno n LYS 22 Ca 0.04 0.56 0.00 0.00 -2.87 0.00 0.00 58.31 56.04 3kno n LYS 22 Cb 0.30 -2.20 0.00 0.00 -1.84 0.00 0.00 35.03 31.29 3kno n LYS 22 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 3kno n GLY 23 N 2.57 0.69 3.69 0.72 0.00 -1.26 -5.09 105.19 106.51 3kno n GLY 23 Ca 0.16 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.78 3kno n GLY 23 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3kno s TYR 24 N -2.00 3.47 0.00 1.61 4.12 -0.96 -5.05 117.35 118.54 3kno s TYR 24 Ca 0.00 1.16 0.00 0.00 0.02 0.00 0.00 57.07 58.25 3kno s TYR 24 Cb 0.00 -2.86 0.00 0.00 -1.52 0.00 0.00 41.96 37.58 3kno s TYR 24 CO 0.00 -0.08 0.00 1.87 0.02 0.00 0.00 175.55 177.36 3kno n TRP 25 N 4.56 0.00 0.00 2.71 -0.00 -1.26 -3.88 117.44 119.57 3kno n TRP 25 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.50 57.50 3kno n TRP 25 Cb 0.50 0.00 0.00 0.00 -0.00 0.00 0.00 31.31 31.81 3kno n TRP 25 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 177.69 178.10 3kno n GLY 26 N 0.00 -3.06 0.02 5.87 0.00 -1.26 -4.63 105.19 102.12 3kno n GLY 26 Ca 0.00 -0.99 0.03 0.00 0.00 0.00 0.00 46.02 45.06 3kno n GLY 26 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3kno n LEU 27 N 0.00 0.06 0.07 0.99 4.77 -1.26 -3.06 117.00 118.57 3kno n LEU 27 Ca 0.00 0.53 0.01 0.00 -0.03 0.00 0.00 56.01 56.52 3kno n LEU 27 Cb 0.00 -0.53 0.06 0.00 -2.33 0.00 0.00 43.42 40.62 3kno n LEU 27 CO 0.00 -0.48 0.61 0.54 -1.33 0.00 0.00 177.39 176.73 3kno n ARG 28 N -1.58 0.02 -0.00 3.23 1.74 -1.26 0.14 116.66 118.94 3kno n ARG 28 Ca 0.01 0.28 0.01 0.00 -0.77 0.00 0.00 57.85 57.38 3kno n ARG 28 Cb 0.05 -2.01 -0.01 0.00 -1.02 0.00 0.00 32.46 29.46 3kno n ARG 28 CO 0.00 0.00 0.00 -1.13 -1.52 0.00 0.00 177.63 174.98 3kno n SER 29 N -1.42 0.94 -0.01 0.55 3.41 -1.17 -3.96 113.62 111.96 3kno n SER 29 Ca -0.00 -0.45 0.02 0.00 -0.26 0.00 0.00 58.87 58.18 3kno n SER 29 Cb 0.46 1.02 -0.06 0.00 -0.26 0.00 0.00 64.21 65.37 3kno n SER 29 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 3kno n LYS 30 N -1.16 0.85 -2.93 4.33 4.76 0.36 -4.74 118.16 119.63 3kno n LYS 30 Ca 0.00 -0.05 -0.43 0.00 -2.87 0.00 0.00 58.31 54.96 3kno n LYS 30 Cb 0.04 -1.18 -0.04 0.00 -1.84 0.00 0.00 35.03 32.01 3kno n LYS 30 CO 0.00 0.00 0.00 0.45 -1.37 0.00 0.00 177.40 176.48 3kno s SER 31 N -3.10 6.23 0.00 4.39 0.15 0.22 -4.89 113.70 116.70 3kno s SER 31 Ca -0.03 -0.85 0.00 0.00 0.70 0.00 0.00 55.95 55.77 3kno s SER 31 Cb 0.04 -2.39 0.00 0.00 -1.71 0.00 0.00 66.02 61.96 3kno s SER 31 CO 0.31 -1.26 0.72 2.22 1.20 0.00 0.00 173.24 176.43 3kno n PHE 32 N 7.26 0.00 0.00 3.44 -1.74 -1.26 0.25 117.46 125.40 3kno n PHE 32 Ca -0.03 0.00 -0.02 0.00 -0.56 0.00 0.00 57.45 56.84 3kno n PHE 32 Cb 0.46 -0.23 -0.01 0.00 1.52 0.00 0.00 39.48 41.22 3kno n PHE 32 CO 0.00 0.00 0.00 0.54 -0.56 0.00 0.00 176.76 176.74 3kno n ARG 33 N -1.22 0.11 -0.31 3.97 1.74 -1.26 -4.34 116.66 115.35 3kno n ARG 33 Ca 0.00 0.04 0.19 0.00 -0.77 0.00 0.00 57.85 57.31 3kno n ARG 33 Cb 0.26 -0.54 0.45 0.00 -1.02 0.00 0.00 32.46 31.60 3kno n ARG 33 CO 0.00 0.00 0.00 0.87 -1.52 0.00 0.00 177.63 176.98 3kno h LYS 34 N -0.20 0.50 0.45 5.56 1.79 -1.63 -0.91 116.57 122.13 3kno h LYS 34 Ca 0.00 -0.03 -0.02 0.00 -2.18 0.00 0.00 60.65 58.42 3kno h LYS 34 Cb 0.20 -0.11 -0.01 0.00 -1.58 0.00 0.00 32.23 30.73 3kno h LYS 34 CO 0.00 0.33 -0.32 0.00 -1.08 0.00 0.00 179.45 178.38 3kno h ALA 35 N 1.63 -1.10 -0.76 3.86 0.00 0.31 -2.47 119.26 120.73 3kno h ALA 35 Ca 0.56 -0.15 0.10 0.00 0.00 0.00 0.00 54.91 55.42 3kno h ALA 35 Cb 1.22 0.47 -0.12 0.00 0.00 0.00 0.00 17.79 19.36 3kno h ALA 35 CO -0.29 -1.09 -0.45 -0.09 0.00 0.00 0.00 179.25 177.33 3kno h ARG 36 N -0.74 -0.12 -0.90 0.00 2.43 -1.36 0.30 114.38 113.98 3kno h ARG 36 Ca -0.06 0.01 0.25 0.00 -0.81 0.00 0.00 59.98 59.37 3kno h ARG 36 Cb 0.61 0.03 -0.14 0.00 -0.42 0.00 0.00 29.97 30.04 3kno h ARG 36 CO 0.03 -0.08 0.29 0.93 -1.51 0.00 0.00 179.97 179.63 3kno h GLU 37 N -0.13 0.22 -0.17 0.20 5.08 -1.28 1.31 114.58 119.81 3kno h GLU 37 Ca 0.22 -0.01 -0.03 0.00 -1.00 0.00 0.00 59.36 58.53 3kno h GLU 37 Cb 0.54 -0.05 -0.01 0.00 0.50 0.00 0.00 28.75 29.73 3kno h GLU 37 CO -0.81 0.14 -0.04 1.15 -1.00 0.00 0.00 179.01 178.45 3kno h THR 38 N 0.22 1.14 -0.02 1.13 2.02 0.05 -2.93 112.91 114.52 3kno h THR 38 Ca 0.59 -0.55 -0.01 0.00 0.77 0.00 0.00 66.41 67.21 3kno h THR 38 Cb 1.22 1.05 -0.00 0.00 -1.74 0.00 0.00 68.15 68.68 3kno h THR 38 CO -0.65 0.18 -0.02 -0.07 0.37 0.00 0.00 175.52 175.32 3kno h LEU 39 N 0.24 0.04 -0.94 2.58 3.38 0.24 -1.98 115.31 118.87 3kno h LEU 39 Ca 0.06 -0.52 0.11 0.00 0.09 0.00 0.00 57.88 57.62 3kno h LEU 39 Cb 0.24 -0.01 -0.13 0.00 0.09 0.00 0.00 40.66 40.84 3kno h LEU 39 CO 0.01 0.56 -0.49 -0.26 0.09 0.00 0.00 178.44 178.35 3kno h PHE 40 N -0.47 -1.50 0.32 1.13 -1.00 -0.91 2.32 116.94 116.82 3kno h PHE 40 Ca 0.00 0.11 -0.02 0.00 2.81 0.00 0.00 57.97 60.88 3kno h PHE 40 Cb 0.55 0.79 0.00 0.00 3.61 0.00 0.00 35.95 40.90 3kno h PHE 40 CO 0.11 -0.39 -0.15 0.00 -1.61 0.00 0.00 178.31 176.26 3kno h ALA 41 N 0.86 -0.43 -0.89 2.45 0.00 -1.64 0.53 119.26 120.12 3kno h ALA 41 Ca 0.24 -0.15 0.10 0.00 0.00 0.00 0.00 54.91 55.10 3kno h ALA 41 Cb 0.51 0.17 -0.12 0.00 0.00 0.00 0.00 17.79 18.34 3kno h ALA 41 CO -0.93 -0.66 -0.45 0.00 0.00 0.00 0.00 179.25 177.21 3kno n ALA 42 N -2.38 -0.38 -0.01 0.00 0.00 0.12 0.23 120.51 118.09 3kno n ALA 42 Ca -0.10 0.81 -0.13 0.00 0.00 0.00 0.00 53.44 54.03 3kno n ALA 42 Cb 0.24 -0.24 -0.10 0.00 0.00 0.00 0.00 19.45 19.35 3kno n ALA 42 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 3kno h GLY 43 N 0.00 0.00 -0.16 0.00 0.00 0.38 -2.63 103.07 100.67 3kno h GLY 43 Ca 0.21 -0.00 0.07 0.00 0.00 0.00 0.00 47.33 47.61 3kno h GLY 43 CO -0.86 0.00 -0.36 -0.57 0.00 0.00 0.00 176.54 174.75 3kno h ASN 44 N -0.44 -1.19 0.00 0.19 -0.00 0.18 -2.97 115.58 111.35 3kno h ASN 44 Ca 0.00 0.19 0.00 0.00 -0.00 0.00 0.00 56.30 56.49 3kno h ASN 44 Cb 0.44 0.53 0.00 0.00 -0.00 0.00 0.00 38.32 39.29 3kno h ASN 44 CO 0.00 -0.35 0.00 -1.22 -0.00 0.00 0.00 177.43 175.86 3kno n TYR 45 N -5.42 0.00 0.00 0.67 0.53 0.62 -2.83 117.16 110.73 3kno n TYR 45 Ca -0.00 0.00 0.00 0.00 -1.02 0.00 0.00 57.90 56.88 3kno n TYR 45 Cb 0.34 0.00 0.00 0.00 -1.03 0.00 0.00 39.34 38.65 3kno n TYR 45 CO 0.00 0.00 0.00 0.00 -1.02 0.00 0.00 176.86 175.84 3kno n ALA 46 N -3.00 0.00 -0.31 -0.72 0.00 -1.00 -0.05 120.51 115.43 3kno n ALA 46 Ca 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 53.44 53.36 3kno n ALA 46 Cb 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 19.38 3kno n ALA 46 CO 0.00 0.00 0.00 0.98 0.00 0.00 0.00 177.50 178.48 3kno n TYR 47 N -1.32 -0.33 1.28 0.00 9.36 -1.12 0.22 117.16 125.25 3kno n TYR 47 Ca 0.00 0.93 0.14 0.00 3.32 0.00 0.00 57.90 62.29 3kno n TYR 47 Cb 0.00 -0.56 0.55 0.00 -0.63 0.00 0.00 39.34 38.70 3kno n TYR 47 CO 0.00 0.00 0.00 0.00 0.22 0.00 0.00 176.86 177.08 3kno n ALA 48 N -3.44 2.82 1.05 2.98 0.00 0.93 -2.93 120.51 121.92 3kno n ALA 48 Ca 0.01 -0.26 0.13 0.00 0.00 0.00 0.00 53.44 53.33 3kno n ALA 48 Cb 0.19 -1.32 0.51 0.00 0.00 0.00 0.00 19.45 18.83 3kno n ALA 48 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 3kno n HIS 49 N -1.09 0.00 -0.08 0.00 8.25 0.58 -1.83 115.22 121.04 3kno n HIS 49 Ca 0.12 0.00 -0.10 0.00 -0.26 0.00 0.00 57.72 57.48 3kno n HIS 49 Cb 0.30 -0.39 -0.05 0.00 1.12 0.00 0.00 29.99 30.97 3kno n HIS 49 CO 0.00 0.00 0.00 0.54 0.64 0.00 0.00 176.34 177.52 3kno n ARG 50 N -1.45 0.49 0.03 -0.41 1.74 0.18 -3.12 116.66 114.13 3kno n ARG 50 Ca 0.07 0.54 0.02 0.00 -0.77 0.00 0.00 57.85 57.72 3kno n ARG 50 Cb 0.33 -1.71 0.10 0.00 -1.02 0.00 0.00 32.46 30.16 3kno n ARG 50 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 3kno n LYS 51 N -4.56 0.02 -0.07 5.56 5.02 -1.21 -0.57 118.16 122.36 3kno n LYS 51 Ca -0.16 0.46 -0.09 0.00 -2.02 0.00 0.00 58.31 56.51 3kno n LYS 51 Cb 0.40 -1.67 -0.05 0.00 -0.02 0.00 0.00 35.03 33.69 3kno n LYS 51 CO 0.00 0.00 0.00 -0.09 -0.52 0.00 0.00 177.40 176.79 3kno h ARG 52 N 0.00 0.00 -1.37 1.97 1.12 -1.48 -3.37 114.38 111.25 3kno h ARG 52 Ca 0.00 0.00 0.41 0.00 -1.11 0.00 0.00 59.98 59.28 3kno h ARG 52 Cb 0.18 0.00 -0.09 0.00 -0.01 0.00 0.00 29.97 30.05 3kno h ARG 52 CO 0.00 0.36 0.94 -0.09 -3.11 0.00 0.00 179.97 178.07 3kno h ARG 53 N -1.00 0.09 -0.48 0.20 2.43 -0.78 -1.68 114.38 113.17 3kno h ARG 53 Ca -0.08 -0.01 0.08 0.00 -0.81 0.00 0.00 59.98 59.17 3kno h ARG 53 Cb 0.63 -0.02 -0.07 0.00 -0.42 0.00 0.00 29.97 30.09 3kno h ARG 53 CO -0.05 0.06 0.09 0.87 -1.51 0.00 0.00 179.97 179.43 3kno h LYS 54 N 0.10 0.22 -0.34 0.20 1.79 -1.67 -0.17 116.57 116.70 3kno h LYS 54 Ca 0.73 -0.01 0.00 0.00 -2.18 0.00 0.00 60.65 59.18 3kno h LYS 54 Cb 2.54 -0.05 0.00 0.00 -1.58 0.00 0.00 32.23 33.14 3kno h LYS 54 CO -0.19 0.14 0.00 2.89 -1.08 0.00 0.00 179.45 181.22 3kno n ARG 55 N -5.12 2.22 0.03 3.15 1.85 -0.67 -3.25 116.66 114.86 3kno n ARG 55 Ca 0.05 -1.84 -0.14 0.00 -1.00 0.00 0.00 57.85 54.92 3kno n ARG 55 Cb 0.23 -1.46 -0.14 0.00 -1.05 0.00 0.00 32.46 30.04 3kno n ARG 55 CO 0.00 0.00 0.00 0.22 -0.01 0.00 0.00 177.63 177.84 3kno h ASP 56 N 3.54 0.23 0.00 2.89 3.58 -0.62 -3.20 116.42 122.83 3kno h ASP 56 Ca 0.00 -0.38 -0.01 0.00 0.42 0.00 0.00 57.03 57.06 3kno h ASP 56 Cb 0.78 -0.07 -0.00 0.00 1.72 0.00 0.00 39.33 41.76 3kno h ASP 56 CO 0.00 1.33 -0.16 -0.26 -2.88 0.00 0.00 179.24 177.26 3kno h PHE 57 N 0.04 0.00 -1.17 0.28 -1.00 -1.37 -3.16 116.94 110.56 3kno h PHE 57 Ca -0.26 0.00 0.44 0.00 2.81 0.00 0.00 57.97 60.96 3kno h PHE 57 Cb 1.99 0.00 -0.16 0.00 3.61 0.00 0.00 35.95 41.39 3kno h PHE 57 CO 0.04 0.22 0.69 -2.13 -1.61 0.00 0.00 178.31 175.53 3kno n ARG 58 N -4.71 -0.05 -0.12 1.51 0.63 -1.20 0.30 116.66 113.03 3kno n ARG 58 Ca -0.04 1.31 -0.10 0.00 -0.92 0.00 0.00 57.85 58.10 3kno n ARG 58 Cb 0.16 -2.46 -0.02 0.00 0.45 0.00 0.00 32.46 30.59 3kno n ARG 58 CO 0.00 0.00 0.00 -0.09 -2.51 0.00 0.00 177.63 175.03 3kno h ARG 59 N 0.00 0.54 -0.27 -0.14 2.43 -1.65 -1.75 114.38 113.55 3kno h ARG 59 Ca 0.86 -0.11 -0.01 0.00 -0.81 0.00 0.00 59.98 59.90 3kno h ARG 59 Cb 2.51 -0.08 -0.01 0.00 -0.42 0.00 0.00 29.97 31.96 3kno h ARG 59 CO -0.63 0.56 0.12 1.25 -1.51 0.00 0.00 179.97 179.77 3kno h LEU 60 N 0.42 0.36 -0.04 3.80 7.12 0.46 -2.97 115.31 124.47 3kno h LEU 60 Ca 0.11 -0.14 0.04 0.00 0.13 0.00 0.00 57.88 58.02 3kno h LEU 60 Cb 0.24 -0.09 -0.06 0.00 -0.53 0.00 0.00 40.66 40.22 3kno h LEU 60 CO -0.00 0.40 -0.36 -0.50 -0.13 0.00 0.00 178.44 177.85 3kno h TRP 61 N 0.30 -0.99 -1.36 1.25 6.55 -0.95 -0.57 115.95 120.18 3kno h TRP 61 Ca 0.09 0.03 0.42 0.00 0.95 0.00 0.00 58.89 60.39 3kno h TRP 61 Cb 0.14 0.44 -0.11 0.00 -0.86 0.00 0.00 29.16 28.77 3kno h TRP 61 CO -0.02 -0.44 0.91 0.82 -1.05 0.00 0.00 178.44 178.66 3kno h ILE 62 N -0.49 0.19 0.14 1.49 1.08 -1.17 0.81 117.51 119.57 3kno h ILE 62 Ca 0.07 -0.04 -0.01 0.00 -0.39 0.00 0.00 64.86 64.49 3kno h ILE 62 Cb 0.59 0.07 0.00 0.00 -3.07 0.00 0.00 36.82 34.42 3kno h ILE 62 CO -0.31 0.02 -0.07 0.58 -0.69 0.00 0.00 178.15 177.68 3kno h VAL 63 N 0.11 0.00 -1.21 1.67 2.07 -1.00 -2.27 116.25 115.62 3kno h VAL 63 Ca 0.78 -0.50 0.35 0.00 0.82 0.00 0.00 66.70 68.15 3kno h VAL 63 Cb 2.57 0.00 -0.06 0.00 -1.52 0.00 0.00 31.29 32.28 3kno h VAL 63 CO -0.30 0.00 0.86 0.03 0.02 0.00 0.00 177.57 178.18 3kno h ARG 64 N -0.70 0.04 0.00 1.57 3.08 0.09 0.62 114.38 119.09 3kno h ARG 64 Ca -0.02 -0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.03 3kno h ARG 64 Cb 0.15 -0.01 0.00 0.00 0.08 0.00 0.00 29.97 30.19 3kno h ARG 64 CO 0.03 0.03 0.00 -0.89 -1.07 0.00 0.00 179.97 178.07 3kno n ILE 65 N -4.23 0.00 -0.22 2.04 5.41 0.26 -3.55 119.36 119.07 3kno n ILE 65 Ca 0.27 0.89 -0.04 0.00 1.00 0.00 0.00 62.75 64.87 3kno n ILE 65 Cb 1.25 -1.78 0.03 0.00 -0.71 0.00 0.00 39.64 38.42 3kno n ILE 65 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 176.55 175.42 3kno h ASN 66 N 0.00 -1.06 0.00 4.38 -1.24 -0.62 0.13 115.58 117.17 3kno h ASN 66 Ca 0.00 0.23 -0.01 0.00 0.71 0.00 0.00 56.30 57.23 3kno h ASN 66 Cb 0.00 0.56 -0.00 0.00 0.73 0.00 0.00 38.32 39.60 3kno h ASN 66 CO 0.00 -0.29 -0.01 0.00 -1.29 0.00 0.00 177.43 175.84 3kno n ALA 67 N -3.18 3.58 0.00 1.57 0.00 0.21 -1.25 120.51 121.44 3kno n ALA 67 Ca 0.06 -0.09 0.00 0.00 0.00 0.00 0.00 53.44 53.41 3kno n ALA 67 Cb 0.36 -1.28 0.00 0.00 0.00 0.00 0.00 19.45 18.53 3kno n ALA 67 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3kno n ALA 68 N 1.67 0.32 1.57 0.00 0.00 0.22 -4.80 120.51 119.49 3kno n ALA 68 Ca 0.02 0.00 0.14 0.00 0.00 0.00 0.00 53.44 53.60 3kno n ALA 68 Cb 0.41 0.00 0.59 0.00 0.00 0.00 0.00 19.45 20.46 3kno n ALA 68 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3kno n ARG 70 N -0.07 0.25 -0.01 0.00 0.63 -0.38 -3.56 116.66 113.52 3kno n ARG 70 Ca 0.20 0.02 -0.17 0.00 -0.92 0.00 0.00 57.85 56.97 3kno n ARG 70 Cb 0.31 -1.60 -0.09 0.00 0.45 0.00 0.00 32.46 31.53 3kno n ARG 70 CO 0.00 0.00 0.00 1.96 -2.51 0.00 0.00 177.63 177.08 3kno h GLN 71 N 0.00 0.57 -1.19 -0.14 4.20 -1.72 -3.31 115.11 113.51 3kno h GLN 71 Ca 0.00 -0.51 -0.65 0.00 0.06 0.00 0.00 58.65 57.55 3kno h GLN 71 Cb 0.70 0.12 -0.27 0.00 0.30 0.00 0.00 27.48 28.34 3kno h GLN 71 CO 0.00 1.14 0.84 0.72 -0.67 0.00 0.00 178.83 180.86 3kno n HIS 72 N -4.13 2.99 0.00 2.96 8.25 -1.25 -5.00 115.22 119.04 3kno n HIS 72 Ca -0.09 -2.82 0.00 0.00 -0.26 0.00 0.00 57.72 54.55 3kno n HIS 72 Cb 0.68 -1.37 0.00 0.00 1.12 0.00 0.00 29.99 30.42 3kno n HIS 72 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3kno n GLY 73 N -0.70 0.87 2.31 -1.41 0.00 -1.25 -5.04 105.19 99.97 3kno n GLY 73 Ca 0.58 -0.74 -0.21 0.00 0.00 0.00 0.00 46.02 45.65 3kno n GLY 73 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 173.32 174.79 3kno n LEU 74 N 0.00 0.00 -4.44 0.99 -0.00 -1.23 -4.73 117.00 107.59 3kno n LEU 74 Ca 0.00 -0.59 -0.25 0.00 -0.00 0.00 0.00 56.01 55.17 3kno n LEU 74 Cb 0.00 -0.70 -0.11 0.00 -0.00 0.00 0.00 43.42 42.61 3kno n LEU 74 CO 0.00 -2.43 -0.50 0.54 -0.00 0.00 0.00 177.39 175.00 3kno s ASN 75 N -2.64 3.42 0.32 1.45 2.20 -1.26 -3.40 114.94 115.04 3kno s ASN 75 Ca 0.45 -0.96 0.11 0.00 -0.94 0.00 0.00 52.86 51.52 3kno s ASN 75 Cb -0.08 -0.27 0.94 0.00 -2.00 0.00 0.00 41.25 39.84 3kno s ASN 75 CO 0.38 0.05 1.71 0.22 -2.94 0.00 0.00 177.10 176.52 3kno h TYR 76 N 2.69 0.96 0.00 1.54 3.20 -1.89 0.39 116.97 123.85 3kno h TYR 76 Ca -0.42 0.04 0.00 0.00 3.14 0.00 0.00 58.73 61.48 3kno h TYR 76 Cb 1.24 -0.27 0.00 0.00 1.54 0.00 0.00 36.73 39.24 3kno h TYR 76 CO 0.75 -0.02 0.00 -1.13 -1.64 0.00 0.00 178.16 176.12 3kno n SER 77 N -4.95 0.11 0.00 -2.11 3.41 -1.26 -2.36 113.62 106.46 3kno n SER 77 Ca 0.28 -0.55 0.00 0.00 -0.26 0.00 0.00 58.87 58.34 3kno n SER 77 Cb 0.81 -0.05 0.00 0.00 -0.26 0.00 0.00 64.21 64.71 3kno n SER 77 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 175.04 175.29 3kno n THR 78 N -0.16 0.00 -0.32 6.66 -1.04 0.12 -4.70 114.28 114.83 3kno n THR 78 Ca 0.00 0.00 0.17 0.00 -2.04 0.00 0.00 64.05 62.18 3kno n THR 78 Cb 0.03 -0.36 0.35 0.00 -1.82 0.00 0.00 70.33 68.52 3kno n THR 78 CO 0.00 0.00 0.00 0.15 -0.64 0.00 0.00 175.07 174.58 3kno h PHE 79 N 0.00 0.26 0.14 -1.42 3.57 -0.62 0.33 116.94 119.19 3kno h PHE 79 Ca 0.00 0.06 -0.01 0.00 3.53 0.00 0.00 57.97 61.55 3kno h PHE 79 Cb 0.00 0.04 0.00 0.00 2.79 0.00 0.00 35.95 38.79 3kno h PHE 79 CO 0.00 -0.37 -0.07 0.82 -2.23 0.00 0.00 178.31 176.47 3kno h ILE 80 N 0.08 0.77 -0.36 1.41 1.08 -1.78 -2.73 117.51 115.98 3kno h ILE 80 Ca 0.63 -1.22 0.03 0.00 -0.39 0.00 0.00 64.86 63.92 3kno h ILE 80 Cb 1.38 1.34 -0.04 0.00 -3.07 0.00 0.00 36.82 36.43 3kno h ILE 80 CO -0.80 0.22 -0.21 1.57 -0.69 0.00 0.00 178.15 178.24 3kno n HIS 81 N -4.88 -0.16 0.76 1.37 -0.00 -0.03 0.98 115.22 113.26 3kno n HIS 81 Ca -0.07 0.45 0.08 0.00 0.46 0.00 0.00 57.72 58.64 3kno n HIS 81 Cb 0.25 -0.51 0.41 0.00 -0.12 0.00 0.00 29.99 30.02 3kno n HIS 81 CO 0.00 0.00 0.00 0.41 0.46 0.00 0.00 176.34 177.21 3kno n GLY 82 N -1.09 -0.87 0.06 1.57 0.00 -0.40 -1.91 105.19 102.55 3kno n GLY 82 Ca 0.01 -0.08 -0.04 0.00 0.00 0.00 0.00 46.02 45.91 3kno n GLY 82 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 3kno h LEU 83 N 0.00 0.00 -1.06 0.99 5.85 0.95 -3.06 115.31 118.98 3kno h LEU 83 Ca 0.00 -0.10 -0.07 0.00 0.84 0.00 0.00 57.88 58.54 3kno h LEU 83 Cb 0.18 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.20 3kno h LEU 83 CO 0.00 0.68 -0.35 0.50 -0.34 0.00 0.00 178.44 178.93 3kno h LYS 84 N -1.00 0.00 0.00 1.25 1.63 -1.09 -2.03 116.57 115.33 3kno h LYS 84 Ca -0.02 0.00 -0.08 0.00 -0.85 0.00 0.00 60.65 59.70 3kno h LYS 84 Cb 0.33 0.00 -0.01 0.00 -0.60 0.00 0.00 32.23 31.95 3kno h LYS 84 CO -0.01 0.35 -0.40 -0.22 -3.45 0.00 0.00 179.45 175.72 3kno h LYS 85 N 0.00 0.00 0.00 1.90 3.64 -1.54 -3.25 116.57 117.32 3kno h LYS 85 Ca -0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 3kno h LYS 85 Cb 0.82 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.64 3kno h LYS 85 CO 0.05 0.40 0.00 0.00 -2.27 0.00 0.00 179.45 177.62 3kno n ALA 86 N -2.30 -0.12 0.04 5.00 0.00 -0.92 -5.02 120.51 117.19 3kno n ALA 86 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 3kno n ALA 86 Cb 0.53 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.98 3kno n ALA 86 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3kno n GLY 87 N 1.20 -1.09 3.27 0.00 0.00 -0.81 -5.09 105.19 102.67 3kno n GLY 87 Ca 0.00 0.38 -0.41 0.00 0.00 0.00 0.00 46.02 45.99 3kno n GLY 87 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 3kno n ILE 88 N -2.80 0.00 1.04 -0.61 -5.35 -1.22 -4.77 119.36 105.66 3kno n ILE 88 Ca 0.00 0.00 0.11 0.00 -0.27 0.00 0.00 62.75 62.59 3kno n ILE 88 Cb 0.00 -0.47 0.06 0.00 -1.74 0.00 0.00 39.64 37.49 3kno n ILE 88 CO 0.00 0.00 0.00 -1.84 -1.76 0.00 0.00 176.55 172.95 3kno n GLU 89 N 7.91 0.59 0.00 6.28 0.28 -1.26 -4.05 120.64 130.39 3kno n GLU 89 Ca 0.61 -0.45 0.00 0.00 -0.16 0.00 0.00 57.16 57.16 3kno n GLU 89 Cb 0.02 -1.49 0.00 0.00 1.43 0.00 0.00 31.44 31.40 3kno n GLU 89 CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 177.13 177.25 3kno n VAL 90 N -0.81 0.00 0.00 3.84 0.31 -1.26 -4.22 118.33 116.19 3kno n VAL 90 Ca 0.08 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.41 3kno n VAL 90 Cb 0.39 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.32 3kno n VAL 90 CO 0.00 0.00 0.00 -0.67 -1.32 0.00 0.00 176.83 174.84 3kno n ASP 91 N 0.00 0.00 -3.25 4.52 4.64 -1.26 -4.58 116.55 116.62 3kno n ASP 91 Ca 0.00 0.00 -0.18 0.00 -1.38 0.00 0.00 54.79 53.23 3kno n ASP 91 Cb 0.00 0.00 -0.02 0.00 -1.04 0.00 0.00 41.12 40.06 3kno n ASP 91 CO 0.00 0.00 0.00 0.54 -0.82 0.00 0.00 177.20 176.92 3kno n ARG 92 N 0.00 -2.43 0.00 -0.67 3.00 -1.26 0.26 116.66 115.56 3kno n ARG 92 Ca 0.00 0.20 0.00 0.00 -0.01 0.00 0.00 57.85 58.04 3kno n ARG 92 Cb 0.00 -4.78 0.00 0.00 0.00 0.00 0.00 32.46 27.68 3kno n ARG 92 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.63 179.26 3kno n LYS 93 N -3.24 0.00 0.06 5.56 4.01 -1.26 -4.49 118.16 118.80 3kno n LYS 93 Ca 0.02 0.00 -0.04 0.00 -0.51 0.00 0.00 58.31 57.77 3kno n LYS 93 Cb 0.51 -3.36 -0.02 0.00 -0.51 0.00 0.00 35.03 31.64 3kno n LYS 93 CO 0.00 0.00 0.00 -0.97 -1.11 0.00 0.00 177.40 175.32 3kno h ASN 94 N 0.00 -0.21 0.00 4.39 -1.24 -0.32 -3.25 115.58 114.95 3kno h ASN 94 Ca 0.00 -0.03 0.00 0.00 0.71 0.00 0.00 56.30 56.98 3kno h ASN 94 Cb 0.00 0.05 0.00 0.00 0.73 0.00 0.00 38.32 39.10 3kno h ASN 94 CO 0.00 0.27 0.00 0.18 -1.29 0.00 0.00 177.43 176.59 3kno n LEU 95 N -4.94 1.55 0.03 0.34 4.77 0.73 -1.52 117.00 117.96 3kno n LEU 95 Ca -0.04 -0.77 0.11 0.00 -0.03 0.00 0.00 56.01 55.28 3kno n LEU 95 Cb 0.12 -0.40 -0.04 0.00 -2.33 0.00 0.00 43.42 40.77 3kno n LEU 95 CO 0.09 0.29 -0.17 0.00 -1.33 0.00 0.00 177.39 176.27 3kno n ALA 96 N 0.33 3.26 0.00 -1.18 0.00 -1.22 -3.56 120.51 118.14 3kno n ALA 96 Ca 0.00 -0.42 0.00 0.00 0.00 0.00 0.00 53.44 53.02 3kno n ALA 96 Cb 0.29 -0.92 0.00 0.00 0.00 0.00 0.00 19.45 18.82 3kno n ALA 96 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 3kno n ASP 97 N -2.09 0.00 -0.88 0.00 5.75 -0.57 0.34 116.55 119.10 3kno n ASP 97 Ca 0.00 0.20 -0.00 0.00 -0.01 0.00 0.00 54.79 54.99 3kno n ASP 97 Cb 0.47 -0.20 0.06 0.00 -1.03 0.00 0.00 41.12 40.42 3kno n ASP 97 CO 0.00 0.00 0.00 0.18 -0.11 0.00 0.00 177.20 177.27 3kno n LEU 98 N -1.18 2.36 -0.09 -2.12 4.77 -1.23 -1.08 117.00 118.42 3kno n LEU 98 Ca 0.00 -1.20 0.03 0.00 -0.03 0.00 0.00 56.01 54.82 3kno n LEU 98 Cb 0.02 -0.54 -0.02 0.00 -2.33 0.00 0.00 43.42 40.55 3kno n LEU 98 CO 0.00 0.39 0.10 0.00 -1.33 0.00 0.00 177.39 176.56 3kno n ALA 99 N 0.14 2.77 -0.01 -1.18 0.00 0.15 -4.09 120.51 118.30 3kno n ALA 99 Ca 0.07 -0.31 -0.01 0.00 0.00 0.00 0.00 53.44 53.19 3kno n ALA 99 Cb 0.50 -0.25 -0.00 0.00 0.00 0.00 0.00 19.45 19.70 3kno n ALA 99 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 3kno n VAL 100 N -0.68 0.13 -3.16 0.00 0.31 -0.24 -4.67 118.33 110.01 3kno n VAL 100 Ca 0.02 0.42 -0.39 0.00 -0.01 0.00 0.00 64.34 64.39 3kno n VAL 100 Cb 0.13 -1.53 -0.05 0.00 -0.91 0.00 0.00 33.84 31.49 3kno n VAL 100 CO 0.00 0.00 0.00 -0.13 -1.32 0.00 0.00 176.83 175.38 3kno s ARG 101 N -1.17 4.39 -0.86 5.55 0.52 -0.93 -4.30 118.95 122.16 3kno s ARG 101 Ca -0.02 0.70 -0.03 0.00 -0.52 0.00 0.00 55.73 55.86 3kno s ARG 101 Cb 0.00 -3.43 -0.02 0.00 0.52 0.00 0.00 34.95 32.02 3kno s ARG 101 CO 0.04 0.13 0.77 0.39 0.02 0.00 0.00 175.30 176.64 3kno n GLU 102 N 3.64 -1.61 0.31 3.54 -0.58 -1.26 -4.38 120.64 120.30 3kno n GLU 102 Ca -0.04 1.23 0.19 0.00 -0.42 0.00 0.00 57.16 58.12 3kno n GLU 102 Cb 0.51 -5.57 1.04 0.00 -0.57 0.00 0.00 31.44 26.86 3kno n GLU 102 CO 0.00 0.00 0.00 -1.00 -0.48 0.00 0.00 177.13 175.65 3kno h PRO 103 N -0.15 0.00 0.00 3.49 0.13 -1.75 -3.30 132.00 130.42 3kno h PRO 103 Ca -0.24 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.89 3kno h PRO 103 Cb 1.13 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.26 3kno h PRO 103 CO 0.35 0.01 0.00 1.04 -0.23 0.00 0.00 178.00 179.18 3kno n GLN 104 N -3.32 0.00 -0.33 0.86 3.00 -1.26 -1.60 117.38 114.73 3kno n GLN 104 Ca -0.02 0.65 0.36 0.00 -0.01 0.00 0.00 57.00 57.97 3kno n GLN 104 Cb 0.12 -1.28 0.75 0.00 0.00 0.00 0.00 30.24 29.82 3kno n GLN 104 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 177.06 176.67 3kno h VAL 105 N 0.00 0.37 0.19 5.09 -1.51 -1.87 -1.75 116.25 116.78 3kno h VAL 105 Ca 0.00 0.00 -0.01 0.00 -1.23 0.00 0.00 66.70 65.46 3kno h VAL 105 Cb 0.00 0.38 0.00 0.00 -2.13 0.00 0.00 31.29 29.55 3kno h VAL 105 CO 0.00 0.00 -0.09 0.15 -1.23 0.00 0.00 177.57 176.40 3kno h PHE 106 N 0.00 -0.24 0.00 5.19 3.57 -1.44 -0.71 116.94 123.30 3kno h PHE 106 Ca 0.57 -0.01 -0.00 0.00 3.53 0.00 0.00 57.97 62.06 3kno h PHE 106 Cb 2.33 0.08 -0.00 0.00 2.79 0.00 0.00 35.95 41.14 3kno h PHE 106 CO 0.00 -0.07 -0.00 0.00 -2.23 0.00 0.00 178.31 176.00 3kno h ALA 107 N 0.44 1.10 -0.05 2.41 0.00 -1.10 -0.07 119.26 122.00 3kno h ALA 107 Ca -0.03 -0.00 -0.03 0.00 0.00 0.00 0.00 54.91 54.85 3kno h ALA 107 Cb 0.27 -0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.06 3kno h ALA 107 CO 0.04 0.00 -0.08 0.93 0.00 0.00 0.00 179.25 180.14 3kno h GLU 108 N 0.00 0.14 -0.33 0.00 4.39 -1.02 -3.16 114.58 114.60 3kno h GLU 108 Ca -0.00 -0.09 0.02 0.00 0.34 0.00 0.00 59.36 59.63 3kno h GLU 108 Cb 0.03 0.01 -0.03 0.00 -0.10 0.00 0.00 28.75 28.66 3kno h GLU 108 CO 0.00 0.65 0.17 -0.07 -1.16 0.00 0.00 179.01 178.61 3kno h LEU 109 N -0.35 0.27 0.00 1.33 3.38 0.31 -3.17 115.31 117.08 3kno h LEU 109 Ca 0.00 0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.98 3kno h LEU 109 Cb 0.64 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 41.35 3kno h LEU 109 CO 0.02 0.20 0.00 0.52 0.09 0.00 0.00 178.44 179.26 3kno n VAL 110 N -4.93 0.00 -0.18 1.22 0.31 -0.57 -2.68 118.33 111.49 3kno n VAL 110 Ca -0.00 1.23 -0.05 0.00 -0.01 0.00 0.00 64.34 65.51 3kno n VAL 110 Cb 0.07 -1.67 -0.04 0.00 -0.91 0.00 0.00 33.84 31.29 3kno n VAL 110 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 3kno n GLU 111 N -2.54 -0.19 -0.59 5.55 -0.58 -1.20 0.33 120.64 121.43 3kno n GLU 111 Ca 0.00 0.96 0.46 0.00 -0.42 0.00 0.00 57.16 58.15 3kno n GLU 111 Cb 0.00 -1.42 0.72 0.00 -0.57 0.00 0.00 31.44 30.17 3kno n GLU 111 CO 0.00 0.00 0.00 0.54 -0.48 0.00 0.00 177.13 177.19 3kno n ARG 112 N -4.00 -0.01 0.00 3.49 5.12 -1.09 0.48 116.66 120.64 3kno n ARG 112 Ca 0.01 1.04 0.00 0.00 -1.93 0.00 0.00 57.85 56.97 3kno n ARG 112 Cb 0.11 -2.29 0.00 0.00 -1.16 0.00 0.00 32.46 29.12 3kno n ARG 112 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 3kno n ALA 113 N -2.75 0.00 0.00 7.54 0.00 0.15 -1.13 120.51 124.32 3kno n ALA 113 Ca 0.40 -0.04 0.00 0.00 0.00 0.00 0.00 53.44 53.80 3kno n ALA 113 Cb 1.74 0.00 0.00 0.00 0.00 0.00 0.00 19.45 21.19 3kno n ALA 113 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.50 177.86 3kno n LYS 114 N -1.83 0.00 -0.12 0.00 2.85 -0.86 0.16 118.16 118.36 3kno n LYS 114 Ca 0.00 0.19 -0.17 0.00 -1.05 0.00 0.00 58.31 57.28 3kno n LYS 114 Cb 0.00 -1.54 -0.12 0.00 -0.65 0.00 0.00 35.03 32.72 3kno n LYS 114 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 3kno n ALA 115 N -1.14 1.46 0.97 0.58 0.00 0.18 -4.05 120.51 118.51 3kno n ALA 115 Ca 0.00 -1.11 0.00 0.00 0.00 0.00 0.00 53.44 52.33 3kno n ALA 115 Cb 0.04 -0.10 0.00 0.00 0.00 0.00 0.00 19.45 19.39 3kno n ALA 115 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3kno n ALA 116 N -3.19 2.01 -2.48 0.00 0.00 0.43 -1.35 120.51 115.92 3kno n ALA 116 Ca -0.44 0.00 0.02 0.00 0.00 0.00 0.00 53.44 53.02 3kno n ALA 116 Cb 1.00 -1.00 0.05 0.00 0.00 0.00 0.00 19.45 19.49 3kno n ALA 116 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 3kno n GLN 117 N -0.30 0.74 0.00 0.00 1.13 -0.78 -5.01 117.38 113.16 3kno n GLN 117 Ca 0.00 -2.60 0.00 0.00 -1.94 0.00 0.00 57.00 52.46 3kno n GLN 117 Cb 0.04 -0.66 0.00 0.00 0.11 0.00 0.00 30.24 29.73 3kno n GLN 117 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03