#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3knm n HIS 3 N 0.00 -0.44 0.00 -1.55 8.25 -1.26 -4.69 115.22 115.53 3knm n HIS 3 Ca 0.00 0.37 0.00 0.00 -0.26 0.00 0.00 57.72 57.83 3knm n HIS 3 Cb 0.00 -1.96 0.00 0.00 1.12 0.00 0.00 29.99 29.15 3knm n HIS 3 CO 0.00 0.00 0.00 -0.11 0.64 0.00 0.00 176.34 176.87 3knm n LEU 4 N -0.47 0.00 0.00 2.41 -0.00 -1.26 -5.03 117.00 112.65 3knm n LEU 4 Ca 0.11 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 56.12 3knm n LEU 4 Cb 0.49 0.05 0.00 0.00 -0.00 0.00 0.00 43.42 43.96 3knm n LEU 4 CO 0.50 0.00 0.00 0.29 -0.00 0.00 0.00 177.39 178.18 3knm n LYS 5 N 1.75 0.00 -4.45 1.96 5.02 -1.26 -5.13 118.16 116.05 3knm n LYS 5 Ca 0.00 0.00 -0.22 0.00 -2.02 0.00 0.00 58.31 56.07 3knm n LYS 5 Cb 0.00 0.00 -0.10 0.00 -0.02 0.00 0.00 35.03 34.91 3knm n LYS 5 CO 0.00 0.00 0.00 -1.54 -0.52 0.00 0.00 177.40 175.34 3knm s SER 6 N -1.41 2.34 -0.28 4.39 1.04 -1.26 -5.12 113.70 113.40 3knm s SER 6 Ca 0.00 -1.41 -0.36 0.00 0.48 0.00 0.00 55.95 54.65 3knm s SER 6 Cb 0.00 0.01 -0.12 0.00 0.10 0.00 0.00 66.02 66.01 3knm s SER 6 CO 0.00 -0.66 2.02 0.61 0.98 0.00 0.00 173.24 176.19 3knm n GLY 7 N -0.70 0.78 0.00 7.32 0.00 -1.26 -4.88 105.19 106.45 3knm n GLY 7 Ca -0.03 0.92 0.00 0.00 0.00 0.00 0.00 46.02 46.91 3knm n GLY 7 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3knm n ARG 8 N 7.19 0.00 -0.82 1.61 5.12 -1.26 -4.98 116.66 123.52 3knm n ARG 8 Ca 0.34 0.00 -0.26 0.00 -1.93 0.00 0.00 57.85 56.00 3knm n ARG 8 Cb 0.22 0.00 0.00 0.00 -1.16 0.00 0.00 32.46 31.52 3knm n ARG 8 CO 0.00 0.00 0.00 0.36 -1.93 0.00 0.00 177.63 176.06 3knm n LYS 9 N 0.00 0.00 -3.14 5.56 2.85 -1.26 -5.06 118.16 117.11 3knm n LYS 9 Ca 0.00 0.00 0.04 0.00 -1.05 0.00 0.00 58.31 57.30 3knm n LYS 9 Cb 0.00 -0.65 -0.00 0.00 -0.65 0.00 0.00 35.03 33.73 3knm n LYS 9 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 177.40 176.84 3knm s LEU 10 N 3.09 -1.16 -0.64 -5.58 1.43 -1.26 -5.12 118.68 109.44 3knm s LEU 10 Ca 0.37 0.06 0.05 0.00 -1.03 0.00 0.00 54.13 53.59 3knm s LEU 10 Cb -0.36 1.70 0.18 0.00 0.03 0.00 0.00 46.19 47.74 3knm s LEU 10 CO 0.42 -0.20 0.48 -3.20 0.23 0.00 0.00 176.35 174.08 3knm n ASN 11 N 5.18 2.37 0.00 2.29 2.85 -1.26 -5.00 115.26 121.69 3knm n ASN 11 Ca 0.07 -3.06 0.00 0.00 -0.11 0.00 0.00 54.58 51.48 3knm n ASN 11 Cb 0.56 -0.71 0.00 0.00 1.24 0.00 0.00 39.78 40.87 3knm n ASN 11 CO 0.00 0.00 0.00 0.54 -2.11 0.00 0.00 177.26 175.69 3knm n ARG 12 N 2.05 0.00 -1.81 1.20 1.74 -1.26 -4.99 116.66 113.59 3knm n ARG 12 Ca 0.22 0.00 -0.31 0.00 -0.77 0.00 0.00 57.85 57.00 3knm n ARG 12 Cb 0.38 0.00 0.03 0.00 -1.02 0.00 0.00 32.46 31.85 3knm n ARG 12 CO 0.00 0.00 0.00 -3.38 -1.52 0.00 0.00 177.63 172.73 3knm s HIS 13 N -2.00 3.46 0.00 -1.55 -3.43 -1.26 -4.56 115.29 105.95 3knm s HIS 13 Ca 0.00 1.27 0.00 0.00 -0.80 0.00 0.00 55.06 55.53 3knm s HIS 13 Cb 0.00 -2.82 0.00 0.00 -1.43 0.00 0.00 32.58 28.33 3knm s HIS 13 CO 0.00 -0.90 0.04 -1.13 -2.00 0.00 0.00 174.74 170.75 3knm n SER 14 N -2.88 0.00 -0.29 7.38 3.41 -1.26 -0.76 113.62 119.21 3knm n SER 14 Ca 0.06 0.04 -0.03 0.00 -0.26 0.00 0.00 58.87 58.69 3knm n SER 14 Cb 0.55 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.50 3knm n SER 14 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 3knm n SER 15 N -0.24 -0.56 0.16 4.04 3.41 -1.26 -0.45 113.62 118.72 3knm n SER 15 Ca 0.00 1.31 -0.14 0.00 -0.26 0.00 0.00 58.87 59.78 3knm n SER 15 Cb 0.00 -0.27 -0.08 0.00 -0.26 0.00 0.00 64.21 63.60 3knm n SER 15 CO 0.00 0.00 0.00 -0.74 -0.16 0.00 0.00 175.04 174.14 3knm h HIS 16 N 0.00 -0.34 -0.00 7.33 -0.00 -1.78 0.29 115.15 120.65 3knm h HIS 16 Ca 0.22 -0.01 0.00 0.00 -0.00 0.00 0.00 60.37 60.59 3knm h HIS 16 Cb 0.41 0.11 -0.00 0.00 -0.00 0.00 0.00 27.41 27.93 3knm h HIS 16 CO -0.68 -0.15 0.01 -0.09 -0.00 0.00 0.00 177.93 177.02 3knm h ARG 17 N -0.45 0.00 0.00 5.26 2.43 0.67 0.77 114.38 123.05 3knm h ARG 17 Ca -0.04 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.13 3knm h ARG 17 Cb 0.34 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.89 3knm h ARG 17 CO 0.06 0.00 -0.24 1.25 -1.51 0.00 0.00 179.97 179.53 3knm h LEU 18 N 0.00 0.00 -1.80 3.80 7.12 -0.25 -3.28 115.31 120.90 3knm h LEU 18 Ca 0.00 0.00 0.14 0.00 0.13 0.00 0.00 57.88 58.15 3knm h LEU 18 Cb 0.02 0.00 -0.02 0.00 -0.53 0.00 0.00 40.66 40.13 3knm h LEU 18 CO -0.00 0.56 0.57 0.00 -0.13 0.00 0.00 178.44 179.45 3knm h ALA 19 N -1.11 2.19 0.44 1.25 0.00 -0.00 0.58 119.26 122.60 3knm h ALA 19 Ca 0.00 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 54.87 3knm h ALA 19 Cb 0.24 0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.07 3knm h ALA 19 CO 0.00 -0.82 -0.21 1.25 0.00 0.00 0.00 179.25 179.47 3knm h LEU 20 N 0.00 -0.49 -0.91 0.00 5.85 0.44 -1.43 115.31 118.77 3knm h LEU 20 Ca 0.23 -0.05 0.09 0.00 0.84 0.00 0.00 57.88 58.98 3knm h LEU 20 Cb 1.37 0.13 -0.07 0.00 0.37 0.00 0.00 40.66 42.46 3knm h LEU 20 CO -0.00 -0.25 0.56 1.88 -0.34 0.00 0.00 178.44 180.29 3knm h TYR 21 N -0.72 1.03 0.73 1.25 0.99 0.08 -2.70 116.97 117.63 3knm h TYR 21 Ca -0.06 0.03 -0.04 0.00 2.00 0.00 0.00 58.73 60.66 3knm h TYR 21 Cb 0.52 -0.33 0.01 0.00 1.00 0.00 0.00 36.73 37.93 3knm h TYR 21 CO -0.01 0.46 -0.35 0.00 -0.00 0.00 0.00 178.16 178.26 3knm h ARG 22 N 0.96 -0.95 0.00 4.88 3.08 -1.23 0.16 114.38 121.28 3knm h ARG 22 Ca 0.42 0.06 0.00 0.00 0.07 0.00 0.00 59.98 60.54 3knm h ARG 22 Cb 0.31 0.22 0.00 0.00 0.08 0.00 0.00 29.97 30.57 3knm h ARG 22 CO -0.22 -0.63 0.00 0.09 -1.07 0.00 0.00 179.97 178.14 3knm n ASN 23 N -5.15 0.00 -0.06 7.04 5.03 -0.55 -0.74 115.26 120.82 3knm n ASN 23 Ca -0.12 0.00 -0.07 0.00 0.87 0.00 0.00 54.58 55.26 3knm n ASN 23 Cb 0.39 0.00 -0.02 0.00 -1.02 0.00 0.00 39.78 39.13 3knm n ASN 23 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 3knm n GLN 24 N -0.80 0.40 -0.35 3.52 1.13 -0.98 -3.84 117.38 116.46 3knm n GLN 24 Ca 0.00 0.16 0.03 0.00 -1.94 0.00 0.00 57.00 55.25 3knm n GLN 24 Cb 0.00 -1.19 0.10 0.00 0.11 0.00 0.00 30.24 29.26 3knm n GLN 24 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 3knm h ALA 25 N -0.95 0.49 0.26 -1.58 0.00 0.12 0.86 119.26 118.46 3knm h ALA 25 Ca 0.00 0.34 0.01 0.00 0.00 0.00 0.00 54.91 55.26 3knm h ALA 25 Cb 0.75 0.81 -0.04 0.00 0.00 0.00 0.00 17.79 19.32 3knm h ALA 25 CO 0.00 -0.46 -0.48 0.87 0.00 0.00 0.00 179.25 179.19 3knm h LYS 26 N -0.01 -0.78 -0.73 0.00 1.57 -1.16 0.23 116.57 115.70 3knm h LYS 26 Ca 0.43 0.05 0.11 0.00 -1.87 0.00 0.00 60.65 59.37 3knm h LYS 26 Cb 0.67 0.18 -0.08 0.00 0.08 0.00 0.00 32.23 33.08 3knm h LYS 26 CO -0.99 -0.52 0.35 0.77 -0.57 0.00 0.00 179.45 178.49 3knm h SER 27 N -0.80 0.42 0.91 0.86 0.02 -0.30 -0.07 113.55 114.59 3knm h SER 27 Ca -0.02 0.07 -0.04 0.00 -0.84 0.00 0.00 61.79 60.96 3knm h SER 27 Cb 0.77 0.01 0.01 0.00 0.14 0.00 0.00 62.40 63.33 3knm h SER 27 CO -0.19 0.22 -0.44 0.25 -1.14 0.00 0.00 176.83 175.54 3knm h LEU 28 N 0.56 -1.03 -2.38 5.07 6.46 0.13 -2.16 115.31 121.96 3knm h LEU 28 Ca 0.37 0.04 0.03 0.00 -0.12 0.00 0.00 57.88 58.20 3knm h LEU 28 Cb 0.45 0.27 -0.00 0.00 -0.73 0.00 0.00 40.66 40.64 3knm h LEU 28 CO -0.31 -0.73 0.17 -0.07 -0.62 0.00 0.00 178.44 176.88 3knm h LEU 29 N -1.24 0.00 0.06 2.25 4.07 -0.32 0.26 115.31 120.38 3knm h LEU 29 Ca -0.12 0.00 -0.24 0.00 0.08 0.00 0.00 57.88 57.59 3knm h LEU 29 Cb 0.93 0.00 -0.02 0.00 1.08 0.00 0.00 40.66 42.66 3knm h LEU 29 CO 0.20 0.00 -1.14 0.74 -1.08 0.00 0.00 178.44 177.16 3knm h THR 30 N 0.00 1.58 0.00 0.22 2.02 -0.73 -3.41 112.91 112.58 3knm h THR 30 Ca 0.05 -3.23 -0.03 0.00 0.77 0.00 0.00 66.41 63.96 3knm h THR 30 Cb 0.38 2.87 -0.01 0.00 -1.74 0.00 0.00 68.15 69.65 3knm h THR 30 CO -0.00 0.92 -1.17 1.41 0.37 0.00 0.00 175.52 177.06 3knm n HIS 31 N -3.42 0.00 0.00 3.16 8.25 -0.60 -5.07 115.22 117.54 3knm n HIS 31 Ca -0.05 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.41 3knm n HIS 31 Cb 0.98 -0.11 0.00 0.00 1.12 0.00 0.00 29.99 31.98 3knm n HIS 31 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3knm n GLY 32 N 2.67 1.98 3.87 -1.41 0.00 0.80 -4.95 105.19 108.16 3knm n GLY 32 Ca -0.03 -0.64 -0.34 0.00 0.00 0.00 0.00 46.02 45.01 3knm n GLY 32 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3knm s ARG 33 N 0.00 3.71 -0.08 1.61 3.00 -1.25 -2.87 118.95 123.07 3knm s ARG 33 Ca 0.00 0.09 -0.08 0.00 0.00 0.00 0.00 55.73 55.74 3knm s ARG 33 Cb 0.00 -2.99 0.02 0.00 0.00 0.00 0.00 34.95 31.98 3knm s ARG 33 CO 0.00 0.56 0.23 0.42 0.00 0.00 0.00 175.30 176.51 3knm s ILE 34 N -1.42 0.01 -0.25 1.52 -1.09 0.90 -4.91 121.20 115.96 3knm s ILE 34 Ca 0.33 -0.07 0.03 0.00 -2.23 0.00 0.00 60.65 58.71 3knm s ILE 34 Cb -0.13 -0.35 0.06 0.00 -1.58 0.00 0.00 42.46 40.45 3knm s ILE 34 CO 0.19 -0.04 -0.11 -0.89 -1.23 0.00 0.00 174.94 172.86 3knm s THR 35 N -0.04 2.07 0.00 2.92 2.01 -1.26 -1.04 115.64 120.30 3knm s THR 35 Ca -0.02 -1.52 0.00 0.00 0.31 0.00 0.00 61.69 60.46 3knm s THR 35 Cb -0.02 -2.18 0.00 0.00 0.01 0.00 0.00 72.50 70.31 3knm s THR 35 CO 0.01 0.01 0.00 0.35 -0.69 0.00 0.00 174.62 174.29 3knm n THR 36 N 4.48 0.00 -2.70 -0.82 -2.24 -1.22 -4.94 114.28 106.85 3knm n THR 36 Ca -0.14 0.00 -0.40 0.00 -2.27 0.00 0.00 64.05 61.23 3knm n THR 36 Cb 0.43 0.00 -0.05 0.00 -2.10 0.00 0.00 70.33 68.61 3knm n THR 36 CO 0.00 0.00 0.00 0.28 -0.57 0.00 0.00 175.07 174.78 3knm s THR 37 N -1.26 4.09 0.06 4.28 -1.32 -1.26 0.97 115.64 121.20 3knm s THR 37 Ca 0.00 1.98 -0.12 0.00 -1.21 0.00 0.00 61.69 62.34 3knm s THR 37 Cb 0.00 -4.26 -0.03 0.00 -1.51 0.00 0.00 72.50 66.70 3knm s THR 37 CO 0.00 0.42 0.98 0.52 -2.21 0.00 0.00 174.62 174.33 3knm n VAL 38 N 1.83 -0.27 0.01 5.08 0.31 -0.10 -0.58 118.33 124.60 3knm n VAL 38 Ca -0.01 1.51 -0.13 0.00 -0.01 0.00 0.00 64.34 65.70 3knm n VAL 38 Cb 0.47 -1.91 -0.07 0.00 -0.91 0.00 0.00 33.84 31.42 3knm n VAL 38 CO 0.00 0.00 0.00 -0.65 -1.32 0.00 0.00 176.83 174.86 3knm h PRO 39 N 0.00 -0.51 -0.92 5.55 0.11 -1.93 0.93 132.00 135.22 3knm h PRO 39 Ca 0.06 0.04 0.26 0.00 0.11 0.00 0.00 66.00 66.47 3knm h PRO 39 Cb 0.16 0.12 -0.16 0.00 0.11 0.00 0.00 31.00 31.23 3knm h PRO 39 CO -0.38 -0.34 0.17 -0.22 -0.21 0.00 0.00 178.00 177.02 3knm h LYS 40 N -0.53 0.11 -0.15 1.05 3.64 -1.56 0.38 116.57 119.50 3knm h LYS 40 Ca 0.06 -0.01 -0.10 0.00 -1.27 0.00 0.00 60.65 59.33 3knm h LYS 40 Cb 0.65 -0.02 0.00 0.00 -0.41 0.00 0.00 32.23 32.45 3knm h LYS 40 CO -0.39 0.07 -0.31 0.00 -2.27 0.00 0.00 179.45 176.55 3knm h ALA 41 N 1.87 0.24 -0.21 5.00 0.00 0.75 -2.48 119.26 124.42 3knm h ALA 41 Ca 0.58 -0.41 0.06 0.00 0.00 0.00 0.00 54.91 55.14 3knm h ALA 41 Cb 1.22 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.96 3knm h ALA 41 CO -0.76 0.26 0.18 0.87 0.00 0.00 0.00 179.25 179.81 3knm h LYS 42 N 0.09 0.00 0.00 0.00 1.57 0.48 -2.42 116.57 116.28 3knm h LYS 42 Ca 0.00 0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 58.76 3knm h LYS 42 Cb 0.90 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 33.21 3knm h LYS 42 CO 0.07 0.00 -0.17 1.49 -0.57 0.00 0.00 179.45 180.27 3knm h GLU 43 N 0.00 0.00 -0.91 3.15 4.57 -0.81 -3.34 114.58 117.24 3knm h GLU 43 Ca 0.10 0.00 0.35 0.00 -1.18 0.00 0.00 59.36 58.63 3knm h GLU 43 Cb 0.47 0.00 -0.12 0.00 -0.16 0.00 0.00 28.75 28.93 3knm h GLU 43 CO -0.00 0.61 0.54 -0.11 -1.18 0.00 0.00 179.01 178.88 3knm n LEU 44 N -4.65 0.22 0.00 1.64 0.00 -0.92 -2.52 117.00 110.78 3knm n LEU 44 Ca -0.09 1.19 0.00 0.00 0.00 0.00 0.00 56.01 57.11 3knm n LEU 44 Cb 0.33 -0.58 0.00 0.00 0.00 0.00 0.00 43.42 43.17 3knm n LEU 44 CO 0.20 -1.32 0.09 0.54 0.00 0.00 0.00 177.39 176.90 3knm n ARG 45 N -4.52 0.00 -0.34 1.96 1.74 -1.17 -2.07 116.66 112.27 3knm n ARG 45 Ca 0.30 0.17 0.11 0.00 -0.77 0.00 0.00 57.85 57.66 3knm n ARG 45 Cb 1.10 -0.63 0.22 0.00 -1.02 0.00 0.00 32.46 32.13 3knm n ARG 45 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3knm n GLY 46 N -0.36 -1.44 0.00 -0.13 0.00 -1.05 -1.08 105.19 101.14 3knm n GLY 46 Ca 0.00 0.98 0.00 0.00 0.00 0.00 0.00 46.02 47.00 3knm n GLY 46 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 3knm n PHE 47 N -5.49 0.00 0.08 1.61 7.35 -0.88 -1.21 117.46 118.92 3knm n PHE 47 Ca 0.19 0.00 -0.15 0.00 -0.76 0.00 0.00 57.45 56.73 3knm n PHE 47 Cb 0.63 -0.38 -0.09 0.00 0.35 0.00 0.00 39.48 39.99 3knm n PHE 47 CO 0.00 0.00 0.00 0.28 -0.76 0.00 0.00 176.76 176.28 3knm h VAL 48 N 0.00 0.05 -0.73 -2.13 2.07 -1.22 0.17 116.25 114.46 3knm h VAL 48 Ca 0.00 0.00 0.27 0.00 0.82 0.00 0.00 66.70 67.79 3knm h VAL 48 Cb 0.00 0.05 -0.09 0.00 -1.52 0.00 0.00 31.29 29.73 3knm h VAL 48 CO 0.00 0.00 0.45 -0.67 0.02 0.00 0.00 177.57 177.37 3knm n ASP 49 N -5.47 0.15 -0.03 0.57 2.03 -0.24 0.71 116.55 114.27 3knm n ASP 49 Ca -0.07 0.87 -0.14 0.00 0.52 0.00 0.00 54.79 55.96 3knm n ASP 49 Cb 0.40 -0.43 -0.11 0.00 -0.72 0.00 0.00 41.12 40.26 3knm n ASP 49 CO 0.00 0.00 0.00 -0.74 -1.92 0.00 0.00 177.20 174.54 3knm h HIS 50 N 0.00 0.17 0.15 -0.67 2.76 0.51 -2.39 115.15 115.67 3knm h HIS 50 Ca 0.51 -0.09 -0.00 0.00 -2.20 0.00 0.00 60.37 58.59 3knm h HIS 50 Cb 1.54 -0.02 -0.00 0.00 1.55 0.00 0.00 27.41 30.48 3knm h HIS 50 CO -0.00 0.86 -0.09 -0.07 -1.30 0.00 0.00 177.93 177.33 3knm h LEU 51 N -0.57 -0.21 -0.58 0.26 4.07 0.40 0.47 115.31 119.14 3knm h LEU 51 Ca -0.02 0.01 0.11 0.00 0.08 0.00 0.00 57.88 58.06 3knm h LEU 51 Cb 0.90 0.06 -0.11 0.00 1.08 0.00 0.00 40.66 42.59 3knm h LEU 51 CO 0.03 -0.14 -0.32 0.40 -1.08 0.00 0.00 178.44 177.33 3knm h ILE 52 N -0.22 0.19 0.00 1.22 1.08 -1.20 0.52 117.51 119.10 3knm h ILE 52 Ca -0.01 0.00 0.00 0.00 -0.39 0.00 0.00 64.86 64.46 3knm h ILE 52 Cb 0.18 0.19 0.00 0.00 -3.07 0.00 0.00 36.82 34.13 3knm h ILE 52 CO 0.02 0.00 0.00 -0.74 -0.69 0.00 0.00 178.15 176.74 3knm h HIS 53 N -0.15 0.00 0.00 1.37 2.76 -0.84 -1.87 115.15 116.41 3knm h HIS 53 Ca 0.24 0.00 -0.02 0.00 -2.20 0.00 0.00 60.37 58.38 3knm h HIS 53 Cb 0.54 0.00 -0.00 0.00 1.55 0.00 0.00 27.41 29.50 3knm h HIS 53 CO -0.62 0.00 -0.45 1.25 -1.30 0.00 0.00 177.93 176.81 3knm h LEU 54 N 0.00 0.00 -0.02 0.26 5.85 0.45 -3.10 115.31 118.76 3knm h LEU 54 Ca 0.00 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.72 3knm h LEU 54 Cb 0.50 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.53 3knm h LEU 54 CO 0.00 0.10 -0.32 0.00 -0.34 0.00 0.00 178.44 177.88 3knm n ALA 55 N -2.16 3.13 0.35 1.25 0.00 0.83 -3.23 120.51 120.69 3knm n ALA 55 Ca 0.02 -0.27 0.14 0.00 0.00 0.00 0.00 53.44 53.32 3knm n ALA 55 Cb 0.58 -1.24 0.57 0.00 0.00 0.00 0.00 19.45 19.36 3knm n ALA 55 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.50 178.37 3knm h LYS 56 N 0.05 0.00 -2.57 0.00 1.57 -1.40 -3.17 116.57 111.05 3knm h LYS 56 Ca 0.00 0.00 -0.62 0.00 -1.87 0.00 0.00 60.65 58.16 3knm h LYS 56 Cb 0.49 0.00 -0.41 0.00 0.08 0.00 0.00 32.23 32.40 3knm h LYS 56 CO 0.00 0.00 -0.49 2.89 -0.57 0.00 0.00 179.45 181.28 3knm n ARG 57 N -2.51 2.43 0.00 3.15 1.85 -1.20 -4.98 116.66 115.40 3knm n ARG 57 Ca 0.01 -4.61 0.00 0.00 -1.00 0.00 0.00 57.85 52.26 3knm n ARG 57 Cb 0.24 -2.29 0.00 0.00 -1.05 0.00 0.00 32.46 29.36 3knm n ARG 57 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 3knm n GLY 58 N 1.30 0.00 3.43 2.89 0.00 -1.20 -4.71 105.19 106.90 3knm n GLY 58 Ca 0.26 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.89 3knm n GLY 58 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3knm n ASP 59 N -0.68 -1.35 -0.25 1.61 5.68 -1.26 -4.61 116.55 115.69 3knm n ASP 59 Ca 0.00 0.79 -0.04 0.00 -0.50 0.00 0.00 54.79 55.04 3knm n ASP 59 Cb 0.31 -1.10 0.02 0.00 -1.14 0.00 0.00 41.12 39.21 3knm n ASP 59 CO 0.00 0.00 0.00 0.25 -1.33 0.00 0.00 177.20 176.12 3knm h LEU 60 N 0.42 -1.20 0.00 -2.12 7.12 -1.99 -1.87 115.31 115.67 3knm h LEU 60 Ca -0.43 0.25 0.00 0.00 0.13 0.00 0.00 57.88 57.83 3knm h LEU 60 Cb 1.41 0.62 0.00 0.00 -0.53 0.00 0.00 40.66 42.15 3knm h LEU 60 CO 0.48 -0.30 0.00 1.57 -0.13 0.00 0.00 178.44 180.06 3knm n HIS 61 N -5.45 0.00 -0.32 1.25 -0.00 -1.26 0.59 115.22 110.03 3knm n HIS 61 Ca 0.06 0.00 0.28 0.00 0.46 0.00 0.00 57.72 58.52 3knm n HIS 61 Cb 0.37 -0.21 0.53 0.00 -0.12 0.00 0.00 29.99 30.56 3knm n HIS 61 CO 0.00 0.00 0.00 0.00 0.46 0.00 0.00 176.34 176.80 3knm h ALA 62 N -1.57 2.02 -0.88 1.57 0.00 -1.77 0.98 119.26 119.61 3knm h ALA 62 Ca 0.00 0.26 -0.02 0.00 0.00 0.00 0.00 54.91 55.15 3knm h ALA 62 Cb 0.00 0.31 -0.04 0.00 0.00 0.00 0.00 17.79 18.06 3knm h ALA 62 CO 0.00 -0.82 0.48 -0.09 0.00 0.00 0.00 179.25 178.81 3knm h ARG 63 N 0.08 1.23 -0.00 0.00 2.43 0.98 0.88 114.38 119.99 3knm h ARG 63 Ca 0.80 -0.15 -0.16 0.00 -0.81 0.00 0.00 59.98 59.66 3knm h ARG 63 Cb 2.01 -0.24 -0.02 0.00 -0.42 0.00 0.00 29.97 31.29 3knm h ARG 63 CO -0.74 0.90 -0.77 0.00 -1.51 0.00 0.00 179.97 177.85 3knm h ARG 64 N 1.23 0.00 0.10 0.20 3.08 0.38 -2.68 114.38 116.70 3knm h ARG 64 Ca 0.31 -0.00 -0.00 0.00 0.07 0.00 0.00 59.98 60.35 3knm h ARG 64 Cb 0.03 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.08 3knm h ARG 64 CO -0.05 0.77 -0.05 1.25 -1.07 0.00 0.00 179.97 180.82 3knm h LEU 65 N 0.00 -0.12 -2.34 3.04 5.85 0.24 -2.55 115.31 119.44 3knm h LEU 65 Ca -0.01 -0.29 -0.01 0.00 0.84 0.00 0.00 57.88 58.41 3knm h LEU 65 Cb 1.36 0.03 -0.00 0.00 0.37 0.00 0.00 40.66 42.42 3knm h LEU 65 CO 0.10 0.24 -0.03 0.58 -0.34 0.00 0.00 178.44 178.99 3knm h VAL 66 N -0.49 0.22 0.00 1.05 2.07 0.70 -3.18 116.25 116.62 3knm h VAL 66 Ca -0.01 -0.25 0.00 0.00 0.82 0.00 0.00 66.70 67.26 3knm h VAL 66 Cb 0.40 1.19 0.00 0.00 -1.52 0.00 0.00 31.29 31.37 3knm h VAL 66 CO 0.02 0.03 0.00 -0.11 0.02 0.00 0.00 177.57 177.53 3knm n LEU 67 N -3.33 0.15 0.00 2.57 7.94 -0.98 -3.02 117.00 120.33 3knm n LEU 67 Ca -0.02 0.14 0.00 0.00 -1.11 0.00 0.00 56.01 55.02 3knm n LEU 67 Cb 0.16 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.11 3knm n LEU 67 CO 0.25 0.00 0.00 0.54 -1.11 0.00 0.00 177.39 177.07 3knm n ARG 68 N -0.17 0.00 -0.08 1.96 1.74 -1.09 0.94 116.66 119.97 3knm n ARG 68 Ca 0.00 0.00 -0.11 0.00 -0.77 0.00 0.00 57.85 56.97 3knm n ARG 68 Cb 0.00 0.00 -0.06 0.00 -1.02 0.00 0.00 32.46 31.38 3knm n ARG 68 CO 0.00 0.00 0.00 -0.44 -1.52 0.00 0.00 177.63 175.67 3knm h ASP 69 N 0.00 0.00 -3.36 0.55 3.45 -1.73 -3.44 116.42 111.89 3knm h ASP 69 Ca 0.00 -0.32 -0.56 0.00 0.43 0.00 0.00 57.03 56.58 3knm h ASP 69 Cb 0.00 0.00 -0.06 0.00 -0.56 0.00 0.00 39.33 38.71 3knm h ASP 69 CO 0.00 1.01 0.09 -0.76 -1.57 0.00 0.00 179.24 178.01 3knm s LEU 70 N -8.14 4.30 0.00 1.55 1.43 0.27 -4.88 118.68 113.20 3knm s LEU 70 Ca -0.18 1.14 0.26 0.00 -1.03 0.00 0.00 54.13 54.32 3knm s LEU 70 Cb 0.02 -3.05 0.77 0.00 0.03 0.00 0.00 46.19 43.96 3knm s LEU 70 CO 0.38 -0.13 1.59 1.67 0.23 0.00 0.00 176.35 180.09 3knm n GLN 71 N 3.90 1.88 -3.20 1.70 -0.06 -1.26 -4.45 117.38 115.89 3knm n GLN 71 Ca -0.01 -1.28 -0.44 0.00 -2.00 0.00 0.00 57.00 53.27 3knm n GLN 71 Cb 0.51 -1.47 -0.07 0.00 -4.06 0.00 0.00 30.24 25.15 3knm n GLN 71 CO 0.00 0.00 0.00 0.34 -0.20 0.00 0.00 177.06 177.20 3knm s ASP 72 N -1.96 6.22 0.35 1.69 3.68 -1.26 -4.92 116.67 120.47 3knm s ASP 72 Ca 0.35 -0.85 0.09 0.00 2.13 0.00 0.00 52.55 54.27 3knm s ASP 72 Cb 0.21 -2.27 0.82 0.00 -1.45 0.00 0.00 42.92 40.23 3knm s ASP 72 CO 0.32 -0.80 1.85 -0.37 0.13 0.00 0.00 175.17 176.30 3knm h VAL 73 N 5.83 0.80 -0.36 1.11 -1.51 -1.99 0.19 116.25 120.32 3knm h VAL 73 Ca -0.27 -0.24 -0.17 0.00 -1.23 0.00 0.00 66.70 64.80 3knm h VAL 73 Cb 1.10 0.05 -0.00 0.00 -2.13 0.00 0.00 31.29 30.31 3knm h VAL 73 CO 0.92 0.13 -0.43 0.50 -1.23 0.00 0.00 177.57 177.46 3knm h LYS 74 N 0.69 0.93 -0.10 5.19 1.63 -2.00 -2.60 116.57 120.30 3knm h LYS 74 Ca 0.47 -0.51 -0.09 0.00 -0.85 0.00 0.00 60.65 59.67 3knm h LYS 74 Cb 0.78 0.03 0.00 0.00 -0.60 0.00 0.00 32.23 32.45 3knm h LYS 74 CO -0.23 1.17 -0.30 1.25 -3.45 0.00 0.00 179.45 177.89 3knm h LEU 75 N 0.74 0.43 -0.42 5.20 7.12 -1.57 -3.11 115.31 123.70 3knm h LEU 75 Ca 0.05 -0.60 0.07 0.00 0.13 0.00 0.00 57.88 57.52 3knm h LEU 75 Cb 1.03 -0.13 -0.09 0.00 -0.53 0.00 0.00 40.66 40.94 3knm h LEU 75 CO 0.10 0.96 -0.46 0.58 -0.13 0.00 0.00 178.44 179.49 3knm h VAL 76 N -0.07 0.08 -0.00 1.05 2.07 -0.72 -1.12 116.25 117.54 3knm h VAL 76 Ca -0.01 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.51 3knm h VAL 76 Cb 0.92 0.08 -0.00 0.00 -1.52 0.00 0.00 31.29 30.77 3knm h VAL 76 CO 0.06 0.00 -0.00 0.03 0.02 0.00 0.00 177.57 177.68 3knm h ARG 77 N -0.34 -0.00 -0.87 1.57 3.08 -1.48 0.56 114.38 116.91 3knm h ARG 77 Ca 0.13 0.00 0.27 0.00 0.07 0.00 0.00 59.98 60.44 3knm h ARG 77 Cb 0.59 0.00 -0.16 0.00 0.08 0.00 0.00 29.97 30.48 3knm h ARG 77 CO -0.59 -0.00 0.11 1.17 -1.07 0.00 0.00 179.97 179.59 3knm n LYS 78 N -2.99 -0.07 0.00 0.04 4.81 -0.69 -0.28 118.16 118.98 3knm n LYS 78 Ca 0.00 1.28 0.00 0.00 -0.87 0.00 0.00 58.31 58.72 3knm n LYS 78 Cb 0.00 -2.09 0.00 0.00 0.02 0.00 0.00 35.03 32.96 3knm n LYS 78 CO 0.00 0.00 0.00 -0.11 1.17 0.00 0.00 177.40 178.46 3knm n LEU 79 N -5.20 0.00 -0.63 3.14 0.00 0.16 -2.25 117.00 112.23 3knm n LEU 79 Ca 0.23 0.98 0.49 0.00 0.00 0.00 0.00 56.01 57.72 3knm n LEU 79 Cb 0.76 -0.48 0.79 0.00 0.00 0.00 0.00 43.42 44.50 3knm n LEU 79 CO -0.05 -0.48 1.44 -0.26 0.00 0.00 0.00 177.39 178.03 3knm h PHE 80 N 0.00 0.09 -1.08 1.96 0.04 0.25 -1.04 116.94 117.16 3knm h PHE 80 Ca 0.00 0.00 -0.37 0.00 2.80 0.00 0.00 57.97 60.41 3knm h PHE 80 Cb 0.00 -0.02 -0.38 0.00 2.20 0.00 0.00 35.95 37.75 3knm h PHE 80 CO 0.20 -0.04 -1.14 -0.40 -0.60 0.00 0.00 178.31 176.33 3knm n ASP 81 N -4.09 1.11 0.00 2.17 3.85 -0.42 -4.59 116.55 114.59 3knm n ASP 81 Ca 0.42 -2.75 0.00 0.00 -0.71 0.00 0.00 54.79 51.75 3knm n ASP 81 Cb 1.86 -0.42 0.00 0.00 -1.35 0.00 0.00 41.12 41.21 3knm n ASP 81 CO 0.00 0.00 0.00 1.21 -1.01 0.00 0.00 177.20 177.40 3knm n GLU 82 N -0.04 0.00 0.00 0.11 2.13 -0.95 -4.90 120.64 116.99 3knm n GLU 82 Ca 0.11 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.93 3knm n GLU 82 Cb 0.80 0.00 0.00 0.00 0.27 0.00 0.00 31.44 32.51 3knm n GLU 82 CO 0.00 0.00 0.00 -0.89 -0.41 0.00 0.00 177.13 175.83 3knm n ILE 83 N -2.09 0.00 -0.02 6.31 2.08 -0.49 -4.30 119.36 120.86 3knm n ILE 83 Ca 0.00 0.00 0.01 0.00 0.56 0.00 0.00 62.75 63.32 3knm n ILE 83 Cb 0.00 -0.05 0.01 0.00 -0.75 0.00 0.00 39.64 38.85 3knm n ILE 83 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 3knm n ALA 84 N -2.18 0.02 -0.36 -1.39 0.00 -0.65 0.03 120.51 115.98 3knm n ALA 84 Ca 0.00 0.07 0.04 0.00 0.00 0.00 0.00 53.44 53.55 3knm n ALA 84 Cb 0.00 -0.05 0.20 0.00 0.00 0.00 0.00 19.45 19.61 3knm n ALA 84 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.50 176.15 3knm h PRO 85 N 0.00 1.08 0.00 0.00 0.11 -1.81 -2.50 132.00 128.88 3knm h PRO 85 Ca 0.03 -0.07 0.00 0.00 0.11 0.00 0.00 66.00 66.08 3knm h PRO 85 Cb 0.06 -0.24 0.00 0.00 0.11 0.00 0.00 31.00 30.93 3knm h PRO 85 CO -0.06 0.72 0.00 2.89 -0.21 0.00 0.00 178.00 181.33 3knm n ARG 86 N -4.52 0.28 0.00 1.05 1.85 0.10 -2.08 116.66 113.34 3knm n ARG 86 Ca 0.16 0.08 0.00 0.00 -1.00 0.00 0.00 57.85 57.09 3knm n ARG 86 Cb 0.23 -1.50 0.00 0.00 -1.05 0.00 0.00 32.46 30.14 3knm n ARG 86 CO 0.00 0.00 0.00 0.66 -0.01 0.00 0.00 177.63 178.28 3knm n TYR 87 N -1.12 0.00 -0.37 2.89 4.01 -0.95 -4.78 117.16 116.84 3knm n TYR 87 Ca 0.07 -0.21 0.33 0.00 -0.16 0.00 0.00 57.90 57.93 3knm n TYR 87 Cb 0.06 -0.02 0.59 0.00 -0.31 0.00 0.00 39.34 39.66 3knm n TYR 87 CO 0.00 0.00 0.00 -0.09 -0.46 0.00 0.00 176.86 176.31 3knm h ARG 88 N 0.00 0.09 0.00 -0.72 1.12 -1.35 -1.06 114.38 112.47 3knm h ARG 88 Ca 0.00 -0.01 -0.24 0.00 -1.11 0.00 0.00 59.98 58.62 3knm h ARG 88 Cb 0.28 -0.02 -0.05 0.00 -0.01 0.00 0.00 29.97 30.17 3knm h ARG 88 CO 0.00 0.06 -2.04 -0.25 -3.11 0.00 0.00 179.97 174.63 3knm n ASP 89 N -5.01 0.26 -4.72 -3.80 8.00 -1.26 -4.94 116.55 105.09 3knm n ASP 89 Ca 0.37 0.12 -0.42 0.00 0.71 0.00 0.00 54.79 55.57 3knm n ASP 89 Cb 1.29 0.93 -0.03 0.00 -0.02 0.00 0.00 41.12 43.29 3knm n ASP 89 CO 0.00 0.00 0.00 -0.60 -0.39 0.00 0.00 177.20 176.21 3knm s ARG 90 N -2.80 4.45 -0.76 -1.24 3.52 -0.40 -4.99 118.95 116.72 3knm s ARG 90 Ca -0.08 1.81 -0.18 0.00 -0.13 0.00 0.00 55.73 57.15 3knm s ARG 90 Cb 0.08 -3.32 0.13 0.00 -1.56 0.00 0.00 34.95 30.29 3knm s ARG 90 CO 0.84 -0.21 0.89 -0.65 -0.81 0.00 0.00 175.30 175.36 3knm s GLN 91 N 0.72 3.35 0.16 5.12 -0.21 -1.26 -4.96 119.66 122.58 3knm s GLN 91 Ca 0.57 -1.63 0.00 0.00 0.02 0.00 0.00 55.36 54.32 3knm s GLN 91 Cb -0.31 -4.52 0.00 0.00 1.00 0.00 0.00 33.01 29.18 3knm s GLN 91 CO 0.31 -1.61 0.00 0.41 -2.12 0.00 0.00 175.29 172.28 3knm n GLY 92 N 5.12 -1.76 3.51 3.09 0.00 -1.26 -4.96 105.19 108.93 3knm n GLY 92 Ca 0.07 -1.36 -0.21 0.00 0.00 0.00 0.00 46.02 44.52 3knm n GLY 92 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3knm n GLY 93 N -2.68 -0.75 0.41 -0.02 0.00 -1.26 -4.87 105.19 96.03 3knm n GLY 93 Ca -0.00 0.35 0.13 0.00 0.00 0.00 0.00 46.02 46.49 3knm n GLY 93 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 3knm n TYR 94 N -3.90 0.00 -4.25 1.61 4.02 -1.26 -4.84 117.16 108.54 3knm n TYR 94 Ca -0.18 0.00 -0.29 0.00 -0.01 0.00 0.00 57.90 57.43 3knm n TYR 94 Cb 0.64 -0.06 -0.10 0.00 -0.02 0.00 0.00 39.34 39.80 3knm n TYR 94 CO 0.00 0.00 0.00 -0.08 -1.01 0.00 0.00 176.86 175.77 3knm s THR 95 N -2.31 3.30 0.07 -0.72 -1.32 -1.26 -0.16 115.64 113.23 3knm s THR 95 Ca 0.27 -1.41 0.02 0.00 -1.21 0.00 0.00 61.69 59.36 3knm s THR 95 Cb 0.20 -2.58 -0.03 0.00 -1.51 0.00 0.00 72.50 68.58 3knm s THR 95 CO 0.46 0.03 -0.08 -0.60 -2.21 0.00 0.00 174.62 172.22 3knm s ARG 96 N -2.44 0.66 -0.17 7.08 3.52 -0.07 -4.74 118.95 122.79 3knm s ARG 96 Ca 0.23 -1.00 -0.04 0.00 -0.13 0.00 0.00 55.73 54.79 3knm s ARG 96 Cb -0.10 -0.28 0.08 0.00 -1.56 0.00 0.00 34.95 33.09 3knm s ARG 96 CO 0.14 0.03 0.22 0.08 -0.81 0.00 0.00 175.30 174.96 3knm s VAL 97 N -2.28 -0.33 -0.15 7.11 1.01 -1.26 -2.25 120.40 122.27 3knm s VAL 97 Ca -0.01 0.03 -0.04 0.00 0.00 0.00 0.00 61.98 61.96 3knm s VAL 97 Cb -0.04 -0.58 -0.03 0.00 0.00 0.00 0.00 36.38 35.73 3knm s VAL 97 CO -0.02 -0.10 -0.03 -0.76 0.00 0.00 0.00 175.10 174.20 3knm s LEU 98 N 2.33 3.33 0.42 3.92 1.43 -0.22 -4.86 118.68 125.04 3knm s LEU 98 Ca 0.05 -0.08 -0.24 0.00 -1.03 0.00 0.00 54.13 52.84 3knm s LEU 98 Cb -0.15 -1.80 -0.08 0.00 0.03 0.00 0.00 46.19 44.19 3knm s LEU 98 CO -0.10 0.20 1.08 -0.54 0.23 0.00 0.00 176.35 177.22 3knm s LYS 99 N 0.17 4.03 -0.14 1.70 1.02 -1.26 0.90 119.74 126.16 3knm s LYS 99 Ca -0.01 1.59 -0.04 0.00 0.02 0.00 0.00 55.97 57.53 3knm s LYS 99 Cb -0.14 -2.48 -0.03 0.00 -0.52 0.00 0.00 37.83 34.66 3knm s LYS 99 CO 0.03 -0.28 -0.00 -0.51 -0.92 0.00 0.00 175.35 173.67 3knm s LEU 100 N -2.79 3.49 0.85 3.17 2.01 0.68 -4.87 118.68 121.22 3knm s LEU 100 Ca 0.60 0.01 -0.11 0.00 0.01 0.00 0.00 54.13 54.64 3knm s LEU 100 Cb -0.24 -1.83 0.10 0.00 0.01 0.00 0.00 46.19 44.23 3knm s LEU 100 CO 0.29 0.25 1.09 0.00 1.01 0.00 0.00 176.35 178.99 3knm s ALA 101 N -0.09 1.83 0.43 4.21 0.00 -1.26 -4.40 121.76 122.48 3knm s ALA 101 Ca 0.04 0.02 0.00 0.00 0.00 0.00 0.00 51.96 52.02 3knm s ALA 101 Cb -0.13 -3.21 0.00 0.00 0.00 0.00 0.00 23.12 19.79 3knm s ALA 101 CO 0.02 -2.11 0.00 -1.91 0.00 0.00 0.00 175.76 171.76 3knm n GLU 102 N -3.72 -3.89 -4.23 0.00 2.13 -1.26 -4.92 120.64 104.74 3knm n GLU 102 Ca 0.08 2.89 -0.16 0.00 0.66 0.00 0.00 57.16 60.63 3knm n GLU 102 Cb 0.55 -3.25 -0.11 0.00 0.27 0.00 0.00 31.44 28.90 3knm n GLU 102 CO 0.00 0.00 0.00 -0.98 -0.41 0.00 0.00 177.13 175.74 3knm s ARG 103 N -3.98 1.00 -0.58 5.31 1.70 -1.26 -4.44 118.95 116.71 3knm s ARG 103 Ca 0.00 -1.30 -0.33 0.00 -0.47 0.00 0.00 55.73 53.63 3knm s ARG 103 Cb 0.00 -0.72 -0.17 0.00 -0.57 0.00 0.00 34.95 33.49 3knm s ARG 103 CO 0.00 0.12 1.98 -2.13 -1.08 0.00 0.00 175.30 174.19 3knm n ARG 104 N 0.27 0.00 -2.31 3.89 3.00 -0.45 -4.70 116.66 116.36 3knm n ARG 104 Ca -0.14 0.00 -0.43 0.00 -0.00 0.00 0.00 57.85 57.29 3knm n ARG 104 Cb 0.58 -1.27 0.00 0.00 0.00 0.00 0.00 32.46 31.78 3knm n ARG 104 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.63 178.17 3knm n ARG 105 N 6.65 3.10 0.00 -0.14 1.74 -1.26 -0.18 116.66 126.57 3knm n ARG 105 Ca 0.50 -3.08 0.00 0.00 -0.77 0.00 0.00 57.85 54.50 3knm n ARG 105 Cb -0.01 -3.41 0.00 0.00 -1.02 0.00 0.00 32.46 28.01 3knm n ARG 105 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3knm n GLY 106 N 4.91 0.10 0.00 -0.13 0.00 -1.26 -4.90 105.19 103.91 3knm n GLY 106 Ca 0.50 -0.05 0.00 0.00 0.00 0.00 0.00 46.02 46.46 3knm n GLY 106 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3knm n ASP 107 N -0.70 0.00 -3.48 1.61 3.85 -1.18 -5.05 116.55 111.60 3knm n ASP 107 Ca 0.00 -1.00 -0.23 0.00 -0.71 0.00 0.00 54.79 52.85 3knm n ASP 107 Cb 0.00 0.00 0.05 0.00 -1.35 0.00 0.00 41.12 39.82 3knm n ASP 107 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 3knm n GLY 108 N 0.00 -1.09 3.57 6.12 0.00 0.75 -5.00 105.19 109.54 3knm n GLY 108 Ca 0.00 0.52 -0.32 0.00 0.00 0.00 0.00 46.02 46.21 3knm n GLY 108 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3knm s ALA 109 N -3.40 2.94 -0.35 4.61 0.00 -1.23 -4.85 121.76 119.49 3knm s ALA 109 Ca 0.44 -1.00 -0.29 0.00 0.00 0.00 0.00 51.96 51.11 3knm s ALA 109 Cb -0.11 -1.10 -0.01 0.00 0.00 0.00 0.00 23.12 21.89 3knm s ALA 109 CO 0.81 0.60 1.63 -1.25 0.00 0.00 0.00 175.76 177.55 3knm s PRO 110 N -1.22 3.48 0.29 0.00 0.04 -1.26 -1.34 135.00 134.99 3knm s PRO 110 Ca 0.15 1.27 -0.20 0.00 0.04 0.00 0.00 61.00 62.27 3knm s PRO 110 Cb -0.11 -4.11 -0.09 0.00 0.04 0.00 0.00 34.50 30.23 3knm s PRO 110 CO 0.05 -1.68 0.79 -0.51 0.04 0.00 0.00 177.00 175.69 3knm s LEU 111 N 6.14 4.22 0.49 -3.56 2.01 -1.26 -0.93 118.68 125.79 3knm s LEU 111 Ca 0.72 1.48 0.02 0.00 0.01 0.00 0.00 54.13 56.36 3knm s LEU 111 Cb -0.19 -3.91 -0.01 0.00 0.01 0.00 0.00 46.19 42.09 3knm s LEU 111 CO 0.33 -0.10 0.06 0.00 1.01 0.00 0.00 176.35 177.65 3knm s ALA 112 N -1.75 3.78 -0.18 4.21 0.00 0.27 -0.23 121.76 127.86 3knm s ALA 112 Ca 0.50 -0.48 -0.04 0.00 0.00 0.00 0.00 51.96 51.94 3knm s ALA 112 Cb -0.14 0.32 0.07 0.00 0.00 0.00 0.00 23.12 23.37 3knm s ALA 112 CO 0.19 -0.14 0.15 -1.17 0.00 0.00 0.00 175.76 174.79 3knm s LEU 113 N -3.80 0.12 -0.19 0.00 2.96 0.26 -3.43 118.68 114.61 3knm s LEU 113 Ca 0.09 -0.38 -0.06 0.00 -0.22 0.00 0.00 54.13 53.56 3knm s LEU 113 Cb 0.01 0.05 -0.03 0.00 0.50 0.00 0.00 46.19 46.72 3knm s LEU 113 CO 0.06 -0.33 0.03 -0.69 -1.32 0.00 0.00 176.35 174.10 3knm s VAL 114 N 2.23 4.38 0.06 1.68 1.01 -0.20 -1.06 120.40 128.49 3knm s VAL 114 Ca 0.04 -0.17 -0.00 0.00 0.00 0.00 0.00 61.98 61.85 3knm s VAL 114 Cb -0.16 -2.98 -0.04 0.00 0.00 0.00 0.00 36.38 33.21 3knm s VAL 114 CO -0.10 0.44 -0.04 -1.83 0.00 0.00 0.00 175.10 173.57 3knm s GLU 115 N 0.69 0.65 -0.11 2.72 -1.05 -0.95 -0.07 118.70 120.57 3knm s GLU 115 Ca 0.02 -1.21 -0.26 0.00 -0.15 0.00 0.00 54.97 53.36 3knm s GLU 115 Cb -0.14 0.08 -0.02 0.00 -0.44 0.00 0.00 34.13 33.62 3knm s GLU 115 CO 0.02 -0.08 0.85 -0.51 0.95 0.00 0.00 175.26 176.49 3knm s LEU 116 N -2.85 4.24 0.76 1.83 1.02 -1.14 -0.89 118.68 121.65 3knm s LEU 116 Ca 0.07 1.30 -0.16 0.00 0.02 0.00 0.00 54.13 55.36 3knm s LEU 116 Cb 0.06 -3.30 -0.03 0.00 0.02 0.00 0.00 46.19 42.94 3knm s LEU 116 CO -0.08 -0.33 0.46 0.52 0.02 0.00 0.00 176.35 176.94 3knm n VAL 117 N 4.38 1.44 0.00 -1.59 0.31 0.78 -4.91 118.33 118.74 3knm n VAL 117 Ca 0.04 -0.38 0.00 0.00 -0.01 0.00 0.00 64.34 64.00 3knm n VAL 117 Cb 0.50 -0.68 0.00 0.00 -0.91 0.00 0.00 33.84 32.75 3knm n VAL 117 CO 0.00 0.00 0.00 1.21 -1.32 0.00 0.00 176.83 176.72