#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kno n HIS 3 N 0.00 0.00 0.00 2.89 8.25 -1.26 -4.77 115.22 120.33 3kno n HIS 3 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.46 3kno n HIS 3 Cb 0.00 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.11 3kno n HIS 3 CO 0.00 0.00 0.00 -0.11 0.64 0.00 0.00 176.34 176.87 3kno n LEU 4 N 0.00 0.00 0.00 2.41 -0.00 -1.26 -4.88 117.00 113.27 3kno n LEU 4 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 56.01 3kno n LEU 4 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.42 3kno n LEU 4 CO 0.00 0.00 0.01 0.29 -0.00 0.00 0.00 177.39 177.69 3kno n LYS 5 N 0.47 0.00 -3.37 1.96 4.01 -1.26 -5.13 118.16 114.84 3kno n LYS 5 Ca 0.00 -0.02 0.00 0.00 -0.51 0.00 0.00 58.31 57.78 3kno n LYS 5 Cb 0.00 -0.05 0.00 0.00 -0.51 0.00 0.00 35.03 34.47 3kno n LYS 5 CO 0.00 0.00 0.00 -1.13 -1.11 0.00 0.00 177.40 175.16 3kno n SER 6 N 0.00 0.00 -1.44 4.39 3.41 -1.26 -5.18 113.62 113.53 3kno n SER 6 Ca 0.00 0.00 0.02 0.00 -0.26 0.00 0.00 58.87 58.63 3kno n SER 6 Cb 0.35 0.00 -0.01 0.00 -0.26 0.00 0.00 64.21 64.29 3kno n SER 6 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3kno n GLY 7 N -0.27 -3.08 3.41 5.00 0.00 -1.26 -4.95 105.19 104.04 3kno n GLY 7 Ca 0.00 -0.66 -0.29 0.00 0.00 0.00 0.00 46.02 45.06 3kno n GLY 7 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3kno s ARG 8 N -5.04 1.61 0.00 1.61 1.81 -1.26 -5.05 118.95 112.63 3kno s ARG 8 Ca 0.00 -1.24 0.00 0.00 -1.72 0.00 0.00 55.73 52.77 3kno s ARG 8 Cb 0.00 -1.98 0.00 0.00 -0.45 0.00 0.00 34.95 32.52 3kno s ARG 8 CO 0.00 0.47 0.00 0.36 -0.68 0.00 0.00 175.30 175.45 3kno n LYS 9 N 1.08 0.00 -3.33 3.54 2.85 -1.26 -5.02 118.16 116.02 3kno n LYS 9 Ca -0.17 0.00 -0.12 0.00 -1.05 0.00 0.00 58.31 56.97 3kno n LYS 9 Cb 0.53 0.00 -0.07 0.00 -0.65 0.00 0.00 35.03 34.84 3kno n LYS 9 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 177.40 176.84 3kno s LEU 10 N 0.00 -0.58 -0.80 -5.58 1.43 -1.26 -5.08 118.68 106.81 3kno s LEU 10 Ca 0.00 -0.69 0.02 0.00 -1.03 0.00 0.00 54.13 52.43 3kno s LEU 10 Cb 0.00 0.92 0.23 0.00 0.03 0.00 0.00 46.19 47.37 3kno s LEU 10 CO 0.00 -0.34 0.82 -3.20 0.23 0.00 0.00 176.35 173.86 3kno n ASN 11 N 5.12 4.15 0.00 2.29 2.85 -1.26 -4.97 115.26 123.44 3kno n ASN 11 Ca 0.02 -3.30 0.00 0.00 -0.11 0.00 0.00 54.58 51.19 3kno n ASN 11 Cb 0.48 -0.89 0.00 0.00 1.24 0.00 0.00 39.78 40.61 3kno n ASN 11 CO 0.00 0.00 0.00 0.54 -2.11 0.00 0.00 177.26 175.69 3kno n ARG 12 N 1.58 -1.21 -3.95 1.20 1.74 -1.26 -4.92 116.66 109.85 3kno n ARG 12 Ca 0.25 0.00 -0.35 0.00 -0.77 0.00 0.00 57.85 56.98 3kno n ARG 12 Cb 0.37 0.00 -0.14 0.00 -1.02 0.00 0.00 32.46 31.67 3kno n ARG 12 CO 0.00 0.00 0.00 -3.38 -1.52 0.00 0.00 177.63 172.73 3kno s HIS 13 N -3.00 2.97 0.00 -1.55 -3.43 -1.26 -4.78 115.29 104.24 3kno s HIS 13 Ca 0.00 -1.23 0.00 0.00 -0.80 0.00 0.00 55.06 53.03 3kno s HIS 13 Cb 0.00 -2.07 0.00 0.00 -1.43 0.00 0.00 32.58 29.08 3kno s HIS 13 CO 0.00 -0.64 0.00 -1.13 -2.00 0.00 0.00 174.74 170.97 3kno n SER 14 N 4.74 0.00 -0.23 7.38 3.41 -1.26 0.98 113.62 128.64 3kno n SER 14 Ca -0.18 0.00 0.07 0.00 -0.26 0.00 0.00 58.87 58.50 3kno n SER 14 Cb 0.49 0.00 0.14 0.00 -0.26 0.00 0.00 64.21 64.58 3kno n SER 14 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 3kno n SER 15 N 0.00 -0.16 0.28 4.04 3.41 -1.26 0.14 113.62 120.07 3kno n SER 15 Ca 0.00 1.10 -0.12 0.00 -0.26 0.00 0.00 58.87 59.58 3kno n SER 15 Cb 0.00 -0.36 -0.06 0.00 -0.26 0.00 0.00 64.21 63.53 3kno n SER 15 CO 0.00 0.00 0.00 -0.74 -0.16 0.00 0.00 175.04 174.14 3kno h HIS 16 N 0.00 -0.72 -0.62 7.33 -0.00 0.23 0.15 115.15 121.53 3kno h HIS 16 Ca 0.35 -0.02 0.14 0.00 -0.00 0.00 0.00 60.37 60.84 3kno h HIS 16 Cb 0.63 0.24 -0.03 0.00 -0.00 0.00 0.00 27.41 28.24 3kno h HIS 16 CO -0.41 -0.43 0.43 -0.09 -0.00 0.00 0.00 177.93 177.42 3kno h ARG 17 N -1.19 0.20 0.00 5.26 2.43 -0.49 -0.03 114.38 120.56 3kno h ARG 17 Ca -0.08 -0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.08 3kno h ARG 17 Cb 0.60 -0.04 0.00 0.00 -0.42 0.00 0.00 29.97 30.11 3kno h ARG 17 CO 0.13 0.13 0.00 -0.11 -1.51 0.00 0.00 179.97 178.61 3kno n LEU 18 N -4.43 0.40 -0.22 3.80 -0.00 0.37 -3.36 117.00 113.57 3kno n LEU 18 Ca 0.11 0.61 0.29 0.00 -0.00 0.00 0.00 56.01 57.03 3kno n LEU 18 Cb 0.55 -0.37 0.50 0.00 -0.00 0.00 0.00 43.42 44.09 3kno n LEU 18 CO 0.35 -0.37 1.27 0.00 -0.00 0.00 0.00 177.39 178.64 3kno h ALA 19 N -2.00 2.96 0.30 1.96 0.00 -0.47 0.11 119.26 122.11 3kno h ALA 19 Ca 0.00 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.86 3kno h ALA 19 Cb 0.00 0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.87 3kno h ALA 19 CO 0.00 -1.69 -0.14 1.25 0.00 0.00 0.00 179.25 178.67 3kno h LEU 20 N 0.00 -0.34 -0.81 0.00 5.85 -1.04 -1.75 115.31 117.22 3kno h LEU 20 Ca 0.49 0.01 0.18 0.00 0.84 0.00 0.00 57.88 59.40 3kno h LEU 20 Cb 2.80 0.09 -0.15 0.00 0.37 0.00 0.00 40.66 43.76 3kno h LEU 20 CO -0.01 -0.22 -0.11 1.88 -0.34 0.00 0.00 178.44 179.64 3kno h TYR 21 N -0.44 -0.27 -0.39 1.25 0.99 -0.79 0.31 116.97 117.63 3kno h TYR 21 Ca -0.04 0.07 0.08 0.00 2.00 0.00 0.00 58.73 60.84 3kno h TYR 21 Cb 0.31 0.25 -0.09 0.00 1.00 0.00 0.00 36.73 38.20 3kno h TYR 21 CO 0.14 -0.33 -0.23 0.00 -0.00 0.00 0.00 178.16 177.74 3kno h ARG 22 N 0.03 -0.16 0.00 4.88 3.08 -1.40 0.58 114.38 121.39 3kno h ARG 22 Ca 0.42 0.01 0.00 0.00 0.07 0.00 0.00 59.98 60.48 3kno h ARG 22 Cb 0.71 0.04 0.00 0.00 0.08 0.00 0.00 29.97 30.79 3kno h ARG 22 CO -0.79 -0.11 0.00 0.09 -1.07 0.00 0.00 179.97 178.09 3kno n ASN 23 N -5.39 0.00 -0.00 7.04 5.03 0.96 0.28 115.26 123.18 3kno n ASN 23 Ca 0.02 -1.26 0.01 0.00 0.87 0.00 0.00 54.58 54.22 3kno n ASN 23 Cb 0.30 0.00 -0.02 0.00 -1.02 0.00 0.00 39.78 39.05 3kno n ASN 23 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 3kno n GLN 24 N -0.65 5.64 -0.09 3.52 6.02 0.18 -4.31 117.38 127.68 3kno n GLN 24 Ca 0.05 -0.00 -0.12 0.00 -0.01 0.00 0.00 57.00 56.92 3kno n GLN 24 Cb 0.03 -0.66 -0.09 0.00 1.02 0.00 0.00 30.24 30.54 3kno n GLN 24 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 3kno n ALA 25 N -1.10 1.61 0.23 -1.58 0.00 0.44 -2.87 120.51 117.23 3kno n ALA 25 Ca 0.00 -0.80 0.13 0.00 0.00 0.00 0.00 53.44 52.77 3kno n ALA 25 Cb 0.04 0.07 0.67 0.00 0.00 0.00 0.00 19.45 20.23 3kno n ALA 25 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.50 178.37 3kno h LYS 26 N 0.00 0.00 0.00 0.00 1.57 -0.37 -0.29 116.57 117.48 3kno h LYS 26 Ca -0.41 0.00 -0.23 0.00 -1.87 0.00 0.00 60.65 58.14 3kno h LYS 26 Cb 1.66 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 33.93 3kno h LYS 26 CO -0.06 0.00 -1.73 -1.13 -0.57 0.00 0.00 179.45 175.97 3kno n SER 27 N -2.45 1.05 -0.37 0.86 3.41 -1.26 -3.39 113.62 111.46 3kno n SER 27 Ca -0.02 0.18 0.28 0.00 -0.26 0.00 0.00 58.87 59.06 3kno n SER 27 Cb 0.19 -0.43 0.55 0.00 -0.26 0.00 0.00 64.21 64.26 3kno n SER 27 CO 0.00 0.00 0.00 0.25 -0.16 0.00 0.00 175.04 175.13 3kno h LEU 28 N -0.52 0.40 0.15 1.04 7.12 -1.35 1.04 115.31 123.19 3kno h LEU 28 Ca -0.34 0.15 -0.01 0.00 0.13 0.00 0.00 57.88 57.81 3kno h LEU 28 Cb 1.27 0.11 0.00 0.00 -0.53 0.00 0.00 40.66 41.51 3kno h LEU 28 CO -0.21 -0.11 -0.07 -0.07 -0.13 0.00 0.00 178.44 177.85 3kno h LEU 29 N 0.25 -0.17 -2.00 2.25 4.07 -1.27 1.07 115.31 119.51 3kno h LEU 29 Ca 0.74 -0.38 0.25 0.00 0.08 0.00 0.00 57.88 58.57 3kno h LEU 29 Cb 1.97 0.04 -0.04 0.00 1.08 0.00 0.00 40.66 43.72 3kno h LEU 29 CO -0.48 0.40 0.64 0.74 -1.08 0.00 0.00 178.44 178.66 3kno h THR 30 N -0.84 0.55 0.00 0.22 2.02 0.18 -3.29 112.91 111.75 3kno h THR 30 Ca -0.02 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.16 3kno h THR 30 Cb 0.53 0.56 0.00 0.00 -1.74 0.00 0.00 68.15 67.50 3kno h THR 30 CO 0.03 0.00 -0.98 1.41 0.37 0.00 0.00 175.52 176.35 3kno n HIS 31 N -4.25 0.00 0.00 3.16 8.25 0.30 -5.04 115.22 117.64 3kno n HIS 31 Ca 0.18 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.64 3kno n HIS 31 Cb 0.95 0.00 0.00 0.00 1.12 0.00 0.00 29.99 32.06 3kno n HIS 31 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3kno n GLY 32 N 2.69 2.71 3.10 -1.41 0.00 0.37 -4.94 105.19 107.71 3kno n GLY 32 Ca 0.00 -0.67 -0.22 0.00 0.00 0.00 0.00 46.02 45.12 3kno n GLY 32 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3kno s ARG 33 N 0.00 1.14 0.03 1.61 3.00 -1.26 -0.94 118.95 122.53 3kno s ARG 33 Ca 0.00 -0.49 0.00 0.00 0.00 0.00 0.00 55.73 55.24 3kno s ARG 33 Cb 0.00 -1.10 -0.03 0.00 0.00 0.00 0.00 34.95 33.83 3kno s ARG 33 CO 0.00 0.29 -0.04 0.42 0.00 0.00 0.00 175.30 175.98 3kno s ILE 34 N -0.30 0.19 -0.18 1.52 -1.09 0.65 -4.87 121.20 117.13 3kno s ILE 34 Ca 0.05 -1.14 -0.02 0.00 -2.23 0.00 0.00 60.65 57.31 3kno s ILE 34 Cb -0.06 -0.59 0.05 0.00 -1.58 0.00 0.00 42.46 40.29 3kno s ILE 34 CO -0.00 -0.60 0.02 0.42 -1.23 0.00 0.00 174.94 173.55 3kno s THR 35 N -2.01 0.59 0.00 2.92 -4.23 -1.26 -0.90 115.64 110.74 3kno s THR 35 Ca -0.10 -0.50 0.00 0.00 -1.18 0.00 0.00 61.69 59.91 3kno s THR 35 Cb -0.06 -1.02 0.00 0.00 1.34 0.00 0.00 72.50 72.76 3kno s THR 35 CO -0.03 -0.12 0.00 0.35 -0.54 0.00 0.00 174.62 174.28 3kno n THR 36 N 5.03 0.00 -2.21 3.99 -2.24 -1.07 -4.94 114.28 112.85 3kno n THR 36 Ca -0.09 0.00 -0.29 0.00 -2.27 0.00 0.00 64.05 61.40 3kno n THR 36 Cb 0.47 0.00 0.02 0.00 -2.10 0.00 0.00 70.33 68.73 3kno n THR 36 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 3kno s THR 37 N 1.51 4.11 0.00 4.28 -4.23 -1.26 -0.39 115.64 119.66 3kno s THR 37 Ca 0.00 0.36 0.00 0.00 -1.18 0.00 0.00 61.69 60.87 3kno s THR 37 Cb 0.00 -3.64 0.00 0.00 1.34 0.00 0.00 72.50 70.20 3kno s THR 37 CO 0.00 -0.74 0.88 0.52 -0.54 0.00 0.00 174.62 174.74 3kno n VAL 38 N -2.66 0.00 -0.18 2.29 0.31 0.03 -1.02 118.33 117.10 3kno n VAL 38 Ca 0.05 1.38 -0.02 0.00 -0.01 0.00 0.00 64.34 65.74 3kno n VAL 38 Cb 0.56 -2.16 0.05 0.00 -0.91 0.00 0.00 33.84 31.38 3kno n VAL 38 CO 0.00 0.00 0.00 -0.65 -1.32 0.00 0.00 176.83 174.86 3kno h PRO 39 N 0.00 0.02 -0.30 5.55 0.11 -1.95 0.82 132.00 136.25 3kno h PRO 39 Ca 0.00 -0.00 0.09 0.00 0.11 0.00 0.00 66.00 66.20 3kno h PRO 39 Cb 0.00 -0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.09 3kno h PRO 39 CO 0.00 0.01 0.40 -0.22 -0.21 0.00 0.00 178.00 177.98 3kno h LYS 40 N 0.02 0.00 0.00 1.05 3.64 -1.93 -1.87 116.57 117.48 3kno h LYS 40 Ca 0.27 0.00 -0.08 0.00 -1.27 0.00 0.00 60.65 59.57 3kno h LYS 40 Cb 0.42 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.23 3kno h LYS 40 CO -0.56 0.00 -0.78 0.00 -2.27 0.00 0.00 179.45 175.84 3kno n ALA 41 N -2.24 0.57 0.07 5.00 0.00 0.23 -3.57 120.51 120.57 3kno n ALA 41 Ca 0.05 -0.45 0.20 0.00 0.00 0.00 0.00 53.44 53.24 3kno n ALA 41 Cb 0.54 -0.17 0.61 0.00 0.00 0.00 0.00 19.45 20.44 3kno n ALA 41 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.50 178.37 3kno h LYS 42 N -1.00 0.00 0.00 0.00 1.57 0.59 -1.87 116.57 115.86 3kno h LYS 42 Ca -0.12 0.00 -0.11 0.00 -1.87 0.00 0.00 60.65 58.54 3kno h LYS 42 Cb 0.78 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 33.08 3kno h LYS 42 CO -0.07 0.00 -0.89 -1.91 -0.57 0.00 0.00 179.45 176.00 3kno n GLU 43 N -3.35 0.51 -0.28 3.15 4.07 -0.76 -4.22 120.64 119.76 3kno n GLU 43 Ca 0.10 0.55 0.30 0.00 -0.06 0.00 0.00 57.16 58.04 3kno n GLU 43 Cb 0.86 -1.71 0.46 0.00 -0.06 0.00 0.00 31.44 30.99 3kno n GLU 43 CO 0.00 0.00 0.00 -0.11 -0.06 0.00 0.00 177.13 176.96 3kno n LEU 44 N -4.52 0.00 0.25 4.31 -0.00 -0.71 -1.61 117.00 114.71 3kno n LEU 44 Ca -0.20 0.74 -0.10 0.00 -0.00 0.00 0.00 56.01 56.46 3kno n LEU 44 Cb 0.47 -0.28 -0.05 0.00 -0.00 0.00 0.00 43.42 43.56 3kno n LEU 44 CO 0.14 -0.74 0.42 0.08 -0.00 0.00 0.00 177.39 177.30 3kno h ARG 45 N 0.00 -0.61 0.00 1.96 0.11 -1.71 -1.71 114.38 112.42 3kno h ARG 45 Ca 0.53 0.04 0.00 0.00 0.10 0.00 0.00 59.98 60.65 3kno h ARG 45 Cb 2.86 0.14 0.00 0.00 1.11 0.00 0.00 29.97 34.08 3kno h ARG 45 CO -0.01 -0.41 0.00 0.41 0.10 0.00 0.00 179.97 180.07 3kno n GLY 46 N -0.77 -3.12 0.27 0.08 0.00 -0.63 0.23 105.19 101.24 3kno n GLY 46 Ca -0.08 0.53 0.13 0.00 0.00 0.00 0.00 46.02 46.60 3kno n GLY 46 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 3kno n PHE 47 N -2.61 0.53 -0.03 1.61 7.35 -1.24 -0.01 117.46 123.05 3kno n PHE 47 Ca 0.00 0.94 -0.15 0.00 -0.76 0.00 0.00 57.45 57.48 3kno n PHE 47 Cb 0.00 -1.11 -0.09 0.00 0.35 0.00 0.00 39.48 38.63 3kno n PHE 47 CO 0.00 0.00 0.00 0.28 -0.76 0.00 0.00 176.76 176.28 3kno h VAL 48 N 0.00 1.42 -0.39 -2.13 2.07 0.16 -2.93 116.25 114.44 3kno h VAL 48 Ca 0.49 -1.67 0.08 0.00 0.82 0.00 0.00 66.70 66.43 3kno h VAL 48 Cb 1.04 2.27 -0.09 0.00 -1.52 0.00 0.00 31.29 32.99 3kno h VAL 48 CO -0.72 0.48 -0.25 0.44 0.02 0.00 0.00 177.57 177.54 3kno h ASP 49 N -0.14 -0.83 -0.74 0.57 5.19 0.36 0.47 116.42 121.30 3kno h ASP 49 Ca -0.01 0.17 0.10 0.00 -0.62 0.00 0.00 57.03 56.67 3kno h ASP 49 Cb 0.92 0.42 -0.05 0.00 0.18 0.00 0.00 39.33 40.80 3kno h ASP 49 CO 0.06 -0.27 0.49 -0.74 -3.12 0.00 0.00 179.24 175.66 3kno h HIS 50 N -0.18 0.66 -0.16 4.55 -0.00 -1.45 0.59 115.15 119.15 3kno h HIS 50 Ca 0.19 0.02 -0.17 0.00 -0.00 0.00 0.00 60.37 60.41 3kno h HIS 50 Cb 0.48 -0.21 -0.01 0.00 -0.00 0.00 0.00 27.41 27.67 3kno h HIS 50 CO -0.47 0.31 -0.59 -0.07 -0.00 0.00 0.00 177.93 177.11 3kno h LEU 51 N 0.61 0.60 0.38 0.26 3.38 -0.50 -0.75 115.31 119.30 3kno h LEU 51 Ca 0.34 -0.33 -0.02 0.00 0.09 0.00 0.00 57.88 57.96 3kno h LEU 51 Cb 0.51 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 41.09 3kno h LEU 51 CO -0.12 1.05 -0.18 0.40 0.09 0.00 0.00 178.44 179.68 3kno h ILE 52 N 0.40 0.00 -0.64 1.22 1.08 0.11 -3.21 117.51 116.47 3kno h ILE 52 Ca -0.00 -0.37 0.13 0.00 -0.39 0.00 0.00 64.86 64.23 3kno h ILE 52 Cb 1.14 0.00 -0.12 0.00 -3.07 0.00 0.00 36.82 34.77 3kno h ILE 52 CO 0.11 0.00 -0.13 -0.74 -0.69 0.00 0.00 178.15 176.70 3kno h HIS 53 N -0.89 -0.29 -1.08 1.37 2.76 0.05 0.32 115.15 117.40 3kno h HIS 53 Ca -0.05 0.06 0.29 0.00 -2.20 0.00 0.00 60.37 58.47 3kno h HIS 53 Cb 0.40 0.23 -0.09 0.00 1.55 0.00 0.00 27.41 29.50 3kno h HIS 53 CO 0.03 -0.26 0.71 1.25 -1.30 0.00 0.00 177.93 178.36 3kno h LEU 54 N 0.02 0.34 -0.14 0.26 5.85 -1.21 0.96 115.31 121.39 3kno h LEU 54 Ca 0.31 0.07 0.00 0.00 0.84 0.00 0.00 57.88 59.10 3kno h LEU 54 Cb 0.49 0.02 0.00 0.00 0.37 0.00 0.00 40.66 41.54 3kno h LEU 54 CO -0.64 0.05 0.00 0.00 -0.34 0.00 0.00 178.44 177.51 3kno n ALA 55 N -2.54 2.50 -2.56 1.25 0.00 0.11 -3.82 120.51 115.45 3kno n ALA 55 Ca 0.26 -0.06 -0.39 0.00 0.00 0.00 0.00 53.44 53.25 3kno n ALA 55 Cb 0.99 -1.00 0.02 0.00 0.00 0.00 0.00 19.45 19.46 3kno n ALA 55 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 3kno n LYS 56 N -0.40 4.76 0.00 0.00 5.02 0.33 -4.24 118.16 123.63 3kno n LYS 56 Ca 0.01 -4.51 0.00 0.00 -2.02 0.00 0.00 58.31 51.79 3kno n LYS 56 Cb 0.03 -2.41 0.00 0.00 -0.02 0.00 0.00 35.03 32.63 3kno n LYS 56 CO 0.00 0.00 0.00 2.89 -0.52 0.00 0.00 177.40 179.77 3kno n ARG 57 N -0.16 0.00 0.00 1.97 1.85 -1.25 -5.05 116.66 114.02 3kno n ARG 57 Ca 0.46 0.00 0.00 0.00 -1.00 0.00 0.00 57.85 57.31 3kno n ARG 57 Cb 0.28 0.00 0.00 0.00 -1.05 0.00 0.00 32.46 31.69 3kno n ARG 57 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 3kno n GLY 58 N 0.00 0.00 3.67 2.89 0.00 -1.26 -4.68 105.19 105.82 3kno n GLY 58 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 3kno n GLY 58 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 3kno s ASP 59 N 0.61 6.44 0.21 1.61 3.84 -1.26 -4.76 116.67 123.37 3kno s ASP 59 Ca 0.00 2.70 0.13 0.00 -0.00 0.00 0.00 52.55 55.39 3kno s ASP 59 Cb 0.00 -2.54 0.77 0.00 -1.38 0.00 0.00 42.92 39.76 3kno s ASP 59 CO 0.00 -1.04 0.87 -0.11 -0.00 0.00 0.00 175.17 174.89 3kno n LEU 60 N 6.89 0.17 0.00 2.11 0.00 -1.26 -0.56 117.00 124.36 3kno n LEU 60 Ca 0.19 0.88 -0.00 0.00 0.00 0.00 0.00 56.01 57.08 3kno n LEU 60 Cb 0.40 -0.43 -0.00 0.00 0.00 0.00 0.00 43.42 43.39 3kno n LEU 60 CO 0.67 -0.98 0.50 -0.74 0.00 0.00 0.00 177.39 176.84 3kno h HIS 61 N 0.00 -0.02 0.00 1.96 2.76 -1.93 -2.03 115.15 115.89 3kno h HIS 61 Ca 0.47 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.64 3kno h HIS 61 Cb 1.33 0.01 0.00 0.00 1.55 0.00 0.00 27.41 30.30 3kno h HIS 61 CO -0.00 -0.01 0.00 0.00 -1.30 0.00 0.00 177.93 176.62 3kno n ALA 62 N -2.34 1.49 -0.07 5.26 0.00 0.28 -0.29 120.51 124.83 3kno n ALA 62 Ca -0.00 -0.00 -0.14 0.00 0.00 0.00 0.00 53.44 53.30 3kno n ALA 62 Cb 0.01 -1.21 -0.06 0.00 0.00 0.00 0.00 19.45 18.19 3kno n ALA 62 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.50 177.41 3kno h ARG 63 N 0.00 0.56 0.09 0.00 2.43 -0.95 -2.14 114.38 114.38 3kno h ARG 63 Ca 0.00 -0.31 -0.29 0.00 -0.81 0.00 0.00 59.98 58.57 3kno h ARG 63 Cb 0.20 0.02 0.02 0.00 -0.42 0.00 0.00 29.97 29.79 3kno h ARG 63 CO 0.00 0.91 -1.18 0.00 -1.51 0.00 0.00 179.97 178.19 3kno h ARG 64 N 0.24 0.59 -0.98 0.20 3.08 -0.61 -1.99 114.38 114.92 3kno h ARG 64 Ca 0.03 -0.76 0.25 0.00 0.07 0.00 0.00 59.98 59.57 3kno h ARG 64 Cb 0.83 0.24 -0.07 0.00 0.08 0.00 0.00 29.97 31.05 3kno h ARG 64 CO 0.06 1.33 0.66 1.25 -1.07 0.00 0.00 179.97 182.20 3kno h LEU 65 N 0.28 0.34 0.09 3.04 5.85 -0.57 -0.84 115.31 123.49 3kno h LEU 65 Ca -0.16 0.05 -0.37 0.00 0.84 0.00 0.00 57.88 58.24 3kno h LEU 65 Cb 1.85 -0.01 -0.03 0.00 0.37 0.00 0.00 40.66 42.84 3kno h LEU 65 CO 0.22 0.10 -2.08 0.55 -0.34 0.00 0.00 178.44 176.89 3kno n VAL 66 N -4.49 1.70 0.28 1.05 3.14 -0.81 -4.06 118.33 115.12 3kno n VAL 66 Ca 0.22 -0.59 0.04 0.00 -2.96 0.00 0.00 64.34 61.05 3kno n VAL 66 Cb 0.85 -1.68 0.21 0.00 -1.06 0.00 0.00 33.84 32.16 3kno n VAL 66 CO 0.00 0.00 0.00 0.25 -6.46 0.00 0.00 176.83 170.62 3kno h LEU 67 N -0.03 0.00 -1.00 6.55 5.85 -0.37 0.34 115.31 126.65 3kno h LEU 67 Ca -0.46 0.00 -0.06 0.00 0.84 0.00 0.00 57.88 58.19 3kno h LEU 67 Cb 1.95 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 42.96 3kno h LEU 67 CO 0.02 0.00 0.02 0.03 -0.34 0.00 0.00 178.44 178.17 3kno h ARG 68 N 0.00 0.75 0.00 1.25 3.08 -1.59 -3.31 114.38 114.55 3kno h ARG 68 Ca 0.00 -0.18 -0.07 0.00 0.07 0.00 0.00 59.98 59.80 3kno h ARG 68 Cb 1.45 -0.10 -0.01 0.00 0.08 0.00 0.00 29.97 31.39 3kno h ARG 68 CO 0.00 0.74 -1.18 -0.25 -1.07 0.00 0.00 179.97 178.21 3kno n ASP 69 N -4.24 1.93 -3.66 7.04 10.43 0.12 -4.54 116.55 123.62 3kno n ASP 69 Ca 0.03 0.36 -0.42 0.00 2.57 0.00 0.00 54.79 57.32 3kno n ASP 69 Cb 0.28 -0.77 -0.03 0.00 1.84 0.00 0.00 41.12 42.44 3kno n ASP 69 CO 0.00 0.00 0.00 0.18 -1.07 0.00 0.00 177.20 176.31 3kno n LEU 70 N -4.44 5.51 -0.37 0.64 4.77 -1.16 -4.78 117.00 117.17 3kno n LEU 70 Ca -0.19 -3.51 0.32 0.00 -0.03 0.00 0.00 56.01 52.59 3kno n LEU 70 Cb 0.55 -1.38 0.53 0.00 -2.33 0.00 0.00 43.42 40.79 3kno n LEU 70 CO 0.18 0.40 0.96 1.67 -1.33 0.00 0.00 177.39 179.26 3kno n GLN 71 N 6.47 -0.03 -2.57 3.23 -0.06 -1.25 -4.59 117.38 118.59 3kno n GLN 71 Ca 0.51 0.97 -0.43 0.00 -2.00 0.00 0.00 57.00 56.06 3kno n GLN 71 Cb 0.39 -1.92 -0.02 0.00 -4.06 0.00 0.00 30.24 24.62 3kno n GLN 71 CO 0.00 0.00 0.00 0.34 -0.20 0.00 0.00 177.06 177.20 3kno s ASP 72 N -4.33 7.08 0.04 1.69 3.68 -1.26 -4.94 116.67 118.63 3kno s ASP 72 Ca -0.06 1.56 -0.14 0.00 2.13 0.00 0.00 52.55 56.05 3kno s ASP 72 Cb 0.24 -2.55 -0.06 0.00 -1.45 0.00 0.00 42.92 39.11 3kno s ASP 72 CO 0.64 -0.64 1.22 0.58 0.13 0.00 0.00 175.17 177.10 3kno h VAL 73 N 5.32 0.00 -0.56 1.11 2.07 -1.94 -1.18 116.25 121.06 3kno h VAL 73 Ca -0.26 0.00 0.05 0.00 0.82 0.00 0.00 66.70 67.31 3kno h VAL 73 Cb 1.10 0.00 -0.07 0.00 -1.52 0.00 0.00 31.29 30.81 3kno h VAL 73 CO 0.94 0.00 -0.33 1.17 0.02 0.00 0.00 177.57 179.36 3kno n LYS 74 N -3.65 -0.25 -0.02 1.57 3.00 -1.26 -1.08 118.16 116.47 3kno n LYS 74 Ca -0.03 1.09 -0.15 0.00 -0.00 0.00 0.00 58.31 59.22 3kno n LYS 74 Cb 0.16 -1.61 -0.10 0.00 0.00 0.00 0.00 35.03 33.49 3kno n LYS 74 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.40 178.65 3kno h LEU 75 N 0.00 -1.74 -1.29 3.14 7.12 -1.84 -2.09 115.31 118.61 3kno h LEU 75 Ca 0.09 0.21 0.26 0.00 0.13 0.00 0.00 57.88 58.57 3kno h LEU 75 Cb 0.23 0.68 -0.10 0.00 -0.53 0.00 0.00 40.66 40.94 3kno h LEU 75 CO -0.53 -0.47 0.66 0.58 -0.13 0.00 0.00 178.44 178.54 3kno h VAL 76 N -0.56 0.52 0.21 1.05 2.07 0.14 -1.11 116.25 118.57 3kno h VAL 76 Ca 0.04 -0.15 -0.01 0.00 0.82 0.00 0.00 66.70 67.40 3kno h VAL 76 Cb 0.67 0.06 -0.01 0.00 -1.52 0.00 0.00 31.29 30.49 3kno h VAL 76 CO -0.46 0.08 -0.18 0.03 0.02 0.00 0.00 177.57 177.06 3kno h ARG 77 N 0.43 -0.37 0.00 1.57 3.08 -0.91 0.41 114.38 118.59 3kno h ARG 77 Ca 0.61 0.03 0.00 0.00 0.07 0.00 0.00 59.98 60.68 3kno h ARG 77 Cb 1.46 0.08 0.00 0.00 0.08 0.00 0.00 29.97 31.60 3kno h ARG 77 CO -0.33 -0.25 0.36 1.17 -1.07 0.00 0.00 179.97 179.85 3kno n LYS 78 N -3.43 0.00 -0.12 0.04 4.81 -0.46 0.18 118.16 119.18 3kno n LYS 78 Ca -0.05 0.11 -0.24 0.00 -0.87 0.00 0.00 58.31 57.27 3kno n LYS 78 Cb 0.17 -1.86 -0.09 0.00 0.02 0.00 0.00 35.03 33.27 3kno n LYS 78 CO 0.00 0.00 0.00 -0.11 1.17 0.00 0.00 177.40 178.46 3kno n LEU 79 N -1.08 1.91 0.00 3.14 0.00 0.43 -3.43 117.00 117.96 3kno n LEU 79 Ca 0.00 0.39 0.00 0.00 0.00 0.00 0.00 56.01 56.40 3kno n LEU 79 Cb 0.36 -0.87 0.00 0.00 0.00 0.00 0.00 43.42 42.91 3kno n LEU 79 CO 0.00 0.33 0.19 0.49 0.00 0.00 0.00 177.39 178.40 3kno n PHE 80 N -4.36 0.00 -1.08 1.96 3.72 0.49 -1.44 117.46 116.75 3kno n PHE 80 Ca -0.40 0.00 -0.32 0.00 -0.05 0.00 0.00 57.45 56.67 3kno n PHE 80 Cb 0.75 0.00 -0.02 0.00 -0.94 0.00 0.00 39.48 39.26 3kno n PHE 80 CO 0.00 0.00 0.00 -0.40 -0.05 0.00 0.00 176.76 176.31 3kno n ASP 81 N -0.43 6.27 0.00 4.37 3.85 -0.71 -3.72 116.55 126.18 3kno n ASP 81 Ca 0.00 -2.49 0.00 0.00 -0.71 0.00 0.00 54.79 51.59 3kno n ASP 81 Cb 0.00 -1.33 0.00 0.00 -1.35 0.00 0.00 41.12 38.44 3kno n ASP 81 CO 0.00 0.00 0.00 1.21 -1.01 0.00 0.00 177.20 177.40 3kno n GLU 82 N 4.30 0.00 -0.04 0.11 2.13 -1.25 -4.77 120.64 121.11 3kno n GLU 82 Ca 0.60 0.00 -0.01 0.00 0.66 0.00 0.00 57.16 58.40 3kno n GLU 82 Cb 0.21 0.00 -0.10 0.00 0.27 0.00 0.00 31.44 31.82 3kno n GLU 82 CO 0.00 0.00 0.00 -0.89 -0.41 0.00 0.00 177.13 175.83 3kno n ILE 83 N 0.00 0.55 -0.01 6.31 2.08 -0.52 -4.56 119.36 123.20 3kno n ILE 83 Ca 0.00 -0.46 -0.12 0.00 0.56 0.00 0.00 62.75 62.73 3kno n ILE 83 Cb 0.00 -0.34 -0.14 0.00 -0.75 0.00 0.00 39.64 38.41 3kno n ILE 83 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 3kno n ALA 84 N -2.29 1.32 -0.30 -1.39 0.00 -0.90 -3.94 120.51 113.01 3kno n ALA 84 Ca -0.14 -0.71 0.19 0.00 0.00 0.00 0.00 53.44 52.77 3kno n ALA 84 Cb 0.71 -0.81 0.46 0.00 0.00 0.00 0.00 19.45 19.81 3kno n ALA 84 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.50 176.15 3kno h PRO 85 N 0.02 0.49 0.00 0.00 0.11 -1.80 0.89 132.00 131.71 3kno h PRO 85 Ca -0.32 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.76 3kno h PRO 85 Cb 2.02 -0.11 0.00 0.00 0.11 0.00 0.00 31.00 33.02 3kno h PRO 85 CO 0.08 0.32 0.00 0.54 -0.21 0.00 0.00 178.00 178.74 3kno n ARG 86 N -4.63 0.46 0.00 1.05 1.74 -1.25 -1.72 116.66 112.30 3kno n ARG 86 Ca 0.23 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.31 3kno n ARG 86 Cb 0.73 -1.43 0.00 0.00 -1.02 0.00 0.00 32.46 30.74 3kno n ARG 86 CO 0.00 0.00 0.00 0.66 -1.52 0.00 0.00 177.63 176.77 3kno n TYR 87 N -0.93 0.00 -0.16 -1.55 4.01 0.30 -4.84 117.16 113.99 3kno n TYR 87 Ca 0.09 -0.09 0.22 0.00 -0.16 0.00 0.00 57.90 57.97 3kno n TYR 87 Cb 0.04 -0.01 0.34 0.00 -0.31 0.00 0.00 39.34 39.40 3kno n TYR 87 CO 0.00 0.00 0.00 -2.13 -0.46 0.00 0.00 176.86 174.27 3kno n ARG 88 N -0.09 0.01 0.00 -0.72 0.00 -0.70 0.14 116.66 115.30 3kno n ARG 88 Ca 0.00 0.82 0.00 0.00 -0.00 0.00 0.00 57.85 58.67 3kno n ARG 88 Cb 0.25 -2.05 0.00 0.00 0.00 0.00 0.00 32.46 30.65 3kno n ARG 88 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.63 177.38 3kno n ASP 89 N -2.84 0.58 -4.72 6.15 8.00 -1.26 -5.03 116.55 117.43 3kno n ASP 89 Ca 0.18 -0.81 -0.42 0.00 0.71 0.00 0.00 54.79 54.46 3kno n ASP 89 Cb 1.23 0.31 -0.03 0.00 -0.02 0.00 0.00 41.12 42.60 3kno n ASP 89 CO 0.00 0.00 0.00 -0.60 -0.39 0.00 0.00 177.20 176.21 3kno s ARG 90 N -0.31 4.44 -0.09 -1.24 3.52 0.38 -4.90 118.95 120.75 3kno s ARG 90 Ca 0.00 1.80 -0.04 0.00 -0.13 0.00 0.00 55.73 57.35 3kno s ARG 90 Cb 0.00 -3.32 -0.15 0.00 -1.56 0.00 0.00 34.95 29.92 3kno s ARG 90 CO 0.00 -0.22 3.14 1.04 -0.81 0.00 0.00 175.30 178.45 3kno n GLN 91 N 3.64 1.90 0.00 5.12 1.13 -1.26 -4.95 117.38 122.95 3kno n GLN 91 Ca 0.08 -1.09 0.00 0.00 -1.94 0.00 0.00 57.00 54.05 3kno n GLN 91 Cb 0.46 -1.84 0.00 0.00 0.11 0.00 0.00 30.24 28.97 3kno n GLN 91 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 3kno n GLY 92 N 1.96 -1.91 3.93 1.08 0.00 -1.26 -5.00 105.19 103.99 3kno n GLY 92 Ca 0.36 -1.87 -0.26 0.00 0.00 0.00 0.00 46.02 44.26 3kno n GLY 92 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3kno n GLY 93 N -0.02 -0.26 0.06 -0.02 0.00 -1.26 -4.82 105.19 98.87 3kno n GLY 93 Ca 0.00 0.14 0.00 0.00 0.00 0.00 0.00 46.02 46.16 3kno n GLY 93 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 3kno n TYR 94 N -4.39 0.00 -4.13 1.61 4.02 -1.26 -4.80 117.16 108.20 3kno n TYR 94 Ca -0.26 0.00 -0.16 0.00 -0.01 0.00 0.00 57.90 57.46 3kno n TYR 94 Cb 0.66 -0.01 -0.12 0.00 -0.02 0.00 0.00 39.34 39.86 3kno n TYR 94 CO 0.00 0.00 0.00 -0.08 -1.01 0.00 0.00 176.86 175.77 3kno s THR 95 N -1.88 0.91 0.02 -0.72 -1.32 -1.26 -2.29 115.64 109.10 3kno s THR 95 Ca 0.00 -1.25 0.06 0.00 -1.21 0.00 0.00 61.69 59.29 3kno s THR 95 Cb 0.00 -0.93 -0.02 0.00 -1.51 0.00 0.00 72.50 70.04 3kno s THR 95 CO 0.00 -0.30 -0.17 -0.60 -2.21 0.00 0.00 174.62 171.35 3kno s ARG 96 N -1.74 1.18 -0.11 7.08 3.52 -0.03 -4.76 118.95 124.09 3kno s ARG 96 Ca -0.04 -0.75 0.01 0.00 -0.13 0.00 0.00 55.73 54.81 3kno s ARG 96 Cb -0.10 -1.20 0.02 0.00 -1.56 0.00 0.00 34.95 32.11 3kno s ARG 96 CO 0.02 0.31 -0.13 0.08 -0.81 0.00 0.00 175.30 174.77 3kno s VAL 97 N -0.69 1.34 -0.14 7.11 1.01 -1.26 -1.86 120.40 125.92 3kno s VAL 97 Ca 0.05 -0.53 0.02 0.00 0.00 0.00 0.00 61.98 61.52 3kno s VAL 97 Cb -0.08 -1.25 0.01 0.00 0.00 0.00 0.00 36.38 35.06 3kno s VAL 97 CO 0.01 0.41 -0.19 -0.76 0.00 0.00 0.00 175.10 174.57 3kno s LEU 98 N 1.18 1.97 -0.36 3.92 1.43 0.52 -4.93 118.68 122.41 3kno s LEU 98 Ca -0.03 -0.56 -0.28 0.00 -1.03 0.00 0.00 54.13 52.23 3kno s LEU 98 Cb -0.14 -1.34 -0.01 0.00 0.03 0.00 0.00 46.19 44.73 3kno s LEU 98 CO -0.04 0.04 1.73 -0.54 0.23 0.00 0.00 176.35 177.77 3kno s LYS 99 N 1.00 3.34 0.60 1.70 1.02 -1.26 0.98 119.74 127.11 3kno s LYS 99 Ca -0.04 1.29 -0.18 0.00 0.02 0.00 0.00 55.97 57.06 3kno s LYS 99 Cb -0.15 -4.18 -0.03 0.00 -0.52 0.00 0.00 37.83 32.96 3kno s LYS 99 CO -0.04 -1.85 1.16 -0.51 -0.92 0.00 0.00 175.35 173.18 3kno s LEU 100 N 6.74 3.61 0.09 3.17 2.01 -1.19 -4.92 118.68 128.18 3kno s LEU 100 Ca 0.76 2.22 -0.11 0.00 0.01 0.00 0.00 54.13 57.01 3kno s LEU 100 Cb -0.20 -4.58 -0.06 0.00 0.01 0.00 0.00 46.19 41.36 3kno s LEU 100 CO 0.33 -1.50 0.43 0.00 1.01 0.00 0.00 176.35 176.61 3kno s ALA 101 N -1.85 3.70 0.00 4.21 0.00 -1.26 -4.67 121.76 121.89 3kno s ALA 101 Ca 0.73 -0.32 0.00 0.00 0.00 0.00 0.00 51.96 52.37 3kno s ALA 101 Cb -0.26 -2.32 0.00 0.00 0.00 0.00 0.00 23.12 20.54 3kno s ALA 101 CO 0.33 0.54 0.00 0.39 0.00 0.00 0.00 175.76 177.02 3kno n GLU 102 N 0.95 0.00 -4.04 0.00 1.02 -1.26 -5.01 120.64 112.29 3kno n GLU 102 Ca -0.08 0.00 -0.12 0.00 -0.02 0.00 0.00 57.16 56.94 3kno n GLU 102 Cb 0.52 0.00 -0.12 0.00 -0.02 0.00 0.00 31.44 31.82 3kno n GLU 102 CO 0.00 0.00 0.00 -0.98 1.18 0.00 0.00 177.13 177.33 3kno s ARG 103 N -5.29 0.44 0.00 3.49 1.70 -1.26 -4.23 118.95 113.79 3kno s ARG 103 Ca 0.00 -0.62 0.00 0.00 -0.47 0.00 0.00 55.73 54.64 3kno s ARG 103 Cb 0.00 -0.19 0.00 0.00 -0.57 0.00 0.00 34.95 34.19 3kno s ARG 103 CO 0.00 0.03 0.00 0.54 -1.08 0.00 0.00 175.30 174.79 3kno n ARG 104 N 1.75 0.00 -3.02 3.89 3.00 -1.21 -4.71 116.66 116.36 3kno n ARG 104 Ca -0.21 0.00 -0.44 0.00 -0.01 0.00 0.00 57.85 57.18 3kno n ARG 104 Cb 0.55 0.00 -0.01 0.00 0.00 0.00 0.00 32.46 33.00 3kno n ARG 104 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.63 178.66 3kno s ARG 105 N 0.00 3.83 0.00 5.56 0.52 -1.26 -2.39 118.95 125.20 3kno s ARG 105 Ca 0.00 -2.27 0.00 0.00 -0.52 0.00 0.00 55.73 52.94 3kno s ARG 105 Cb 0.00 -4.87 0.00 0.00 0.52 0.00 0.00 34.95 30.60 3kno s ARG 105 CO 0.00 -1.66 0.00 0.41 0.02 0.00 0.00 175.30 174.07 3kno n GLY 106 N 4.56 0.32 0.00 -3.53 0.00 -1.26 -4.96 105.19 100.32 3kno n GLY 106 Ca 0.27 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.29 3kno n GLY 106 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3kno n ASP 107 N 0.00 0.00 -3.10 1.61 3.85 -1.25 -5.06 116.55 112.60 3kno n ASP 107 Ca 0.00 -0.00 -0.14 0.00 -0.71 0.00 0.00 54.79 53.94 3kno n ASP 107 Cb 0.00 0.00 0.07 0.00 -1.35 0.00 0.00 41.12 39.85 3kno n ASP 107 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 3kno n GLY 108 N 0.00 -0.49 3.42 6.12 0.00 -1.01 -5.02 105.19 108.22 3kno n GLY 108 Ca 0.00 0.19 -0.33 0.00 0.00 0.00 0.00 46.02 45.87 3kno n GLY 108 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kno s ALA 109 N -3.33 2.70 -0.30 4.61 0.00 -1.26 -4.94 121.76 119.24 3kno s ALA 109 Ca 0.14 -0.90 -0.28 0.00 0.00 0.00 0.00 51.96 50.92 3kno s ALA 109 Cb -0.02 -1.20 -0.04 0.00 0.00 0.00 0.00 23.12 21.86 3kno s ALA 109 CO 0.64 0.33 2.07 -1.25 0.00 0.00 0.00 175.76 177.56 3kno s PRO 110 N 0.06 3.07 0.98 0.00 0.04 -1.26 -3.31 135.00 134.57 3kno s PRO 110 Ca -0.04 1.69 -0.15 0.00 0.04 0.00 0.00 61.00 62.54 3kno s PRO 110 Cb -0.14 -4.33 0.18 0.00 0.04 0.00 0.00 34.50 30.25 3kno s PRO 110 CO 0.04 -2.17 1.19 -0.51 0.04 0.00 0.00 177.00 175.59 3kno s LEU 111 N 8.25 1.99 0.15 -3.56 2.01 -1.26 -0.79 118.68 125.48 3kno s LEU 111 Ca 0.91 0.67 -0.24 0.00 0.01 0.00 0.00 54.13 55.48 3kno s LEU 111 Cb -0.27 -2.80 0.07 0.00 0.01 0.00 0.00 46.19 43.20 3kno s LEU 111 CO 0.33 -2.88 0.69 0.00 1.01 0.00 0.00 176.35 175.50 3kno s ALA 112 N -3.43 -1.57 -0.08 4.21 0.00 0.48 -3.16 121.76 118.20 3kno s ALA 112 Ca 0.68 0.41 0.02 0.00 0.00 0.00 0.00 51.96 53.07 3kno s ALA 112 Cb -0.10 0.79 -0.02 0.00 0.00 0.00 0.00 23.12 23.79 3kno s ALA 112 CO 0.53 -0.82 -0.12 -1.17 0.00 0.00 0.00 175.76 174.19 3kno s LEU 113 N -2.75 2.86 -0.06 0.00 2.96 0.27 -2.60 118.68 119.37 3kno s LEU 113 Ca 0.04 -0.18 -0.01 0.00 -0.22 0.00 0.00 54.13 53.75 3kno s LEU 113 Cb -0.02 -1.62 0.03 0.00 0.50 0.00 0.00 46.19 45.08 3kno s LEU 113 CO -0.08 0.29 0.01 -0.69 -1.32 0.00 0.00 176.35 174.56 3kno s VAL 114 N -0.40 0.30 0.14 1.68 1.01 -0.08 -0.35 120.40 122.70 3kno s VAL 114 Ca 0.05 0.16 -0.06 0.00 0.00 0.00 0.00 61.98 62.13 3kno s VAL 114 Cb -0.12 -0.47 -0.02 0.00 0.00 0.00 0.00 36.38 35.77 3kno s VAL 114 CO 0.02 0.24 0.19 -1.83 0.00 0.00 0.00 175.10 173.72 3kno s GLU 115 N 1.93 1.01 -0.77 2.72 -1.05 -0.78 -0.25 118.70 121.51 3kno s GLU 115 Ca 0.04 -1.21 -0.26 0.00 -0.15 0.00 0.00 54.97 53.39 3kno s GLU 115 Cb -0.12 0.32 0.02 0.00 -0.44 0.00 0.00 34.13 33.91 3kno s GLU 115 CO -0.05 -0.33 1.46 -0.51 0.95 0.00 0.00 175.26 176.78 3kno s LEU 116 N -2.97 3.24 0.16 1.83 1.43 -0.12 -0.85 118.68 121.40 3kno s LEU 116 Ca 0.16 -0.47 -0.10 0.00 -1.03 0.00 0.00 54.13 52.70 3kno s LEU 116 Cb 0.05 -2.56 -0.07 0.00 0.03 0.00 0.00 46.19 43.65 3kno s LEU 116 CO -0.02 -1.95 0.07 0.52 0.23 0.00 0.00 176.35 175.20 3kno n VAL 117 N 6.72 0.37 0.00 -1.59 0.31 -0.97 -4.95 118.33 118.22 3kno n VAL 117 Ca 0.13 -0.22 0.00 0.00 -0.01 0.00 0.00 64.34 64.25 3kno n VAL 117 Cb 0.50 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.43 3kno n VAL 117 CO 0.00 0.00 0.00 1.21 -1.32 0.00 0.00 176.83 176.72