#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3knk n HIS 3 N 0.00 -0.04 -3.31 2.89 8.25 -1.26 -5.00 115.22 116.75 3knk n HIS 3 Ca 0.00 0.00 -0.12 0.00 -0.26 0.00 0.00 57.72 57.34 3knk n HIS 3 Cb 0.00 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.11 3knk n HIS 3 CO 0.00 0.00 0.00 -0.11 0.64 0.00 0.00 176.34 176.87 3knk n LEU 4 N 0.00 -5.01 0.00 2.41 -0.00 -1.26 -4.89 117.00 108.25 3knk n LEU 4 Ca 0.00 -0.31 0.00 0.00 -0.00 0.00 0.00 56.01 55.70 3knk n LEU 4 Cb 0.00 -2.65 0.00 0.00 -0.00 0.00 0.00 43.42 40.77 3knk n LEU 4 CO 0.00 -0.68 0.16 0.29 -0.00 0.00 0.00 177.39 177.17 3knk n LYS 5 N -1.80 -0.17 -2.87 1.96 4.01 -1.26 -5.07 118.16 112.96 3knk n LYS 5 Ca -0.10 -0.37 -0.19 0.00 -0.51 0.00 0.00 58.31 57.14 3knk n LYS 5 Cb 0.57 -0.75 0.03 0.00 -0.51 0.00 0.00 35.03 34.38 3knk n LYS 5 CO 0.00 0.00 0.00 -1.12 -1.11 0.00 0.00 177.40 175.17 3knk s SER 6 N -0.08 5.40 0.71 4.39 0.01 -1.26 -5.10 113.70 117.76 3knk s SER 6 Ca 0.00 -0.34 -0.12 0.00 1.31 0.00 0.00 55.95 56.80 3knk s SER 6 Cb 0.00 -0.57 -0.09 0.00 0.21 0.00 0.00 66.02 65.57 3knk s SER 6 CO 0.00 -1.01 -0.68 0.61 0.41 0.00 0.00 173.24 172.57 3knk n GLY 7 N -2.11 -1.84 3.89 3.44 0.00 -1.26 -4.92 105.19 102.39 3knk n GLY 7 Ca 0.09 -0.05 -0.29 0.00 0.00 0.00 0.00 46.02 45.77 3knk n GLY 7 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3knk s ARG 8 N -1.97 2.11 0.25 1.61 1.81 -1.26 -5.04 118.95 116.46 3knk s ARG 8 Ca 0.15 0.20 -0.06 0.00 -1.72 0.00 0.00 55.73 54.30 3knk s ARG 8 Cb 0.05 -1.96 -0.05 0.00 -0.45 0.00 0.00 34.95 32.54 3knk s ARG 8 CO 0.28 -1.51 -0.33 0.36 -0.68 0.00 0.00 175.30 173.42 3knk n LYS 9 N -3.28 0.00 -3.15 3.54 2.85 -1.26 -5.05 118.16 111.81 3knk n LYS 9 Ca 0.08 0.00 0.06 0.00 -1.05 0.00 0.00 58.31 57.40 3knk n LYS 9 Cb 0.60 -0.25 -0.00 0.00 -0.65 0.00 0.00 35.03 34.73 3knk n LYS 9 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 177.40 176.84 3knk s LEU 10 N 2.02 -0.14 0.48 -5.58 1.43 -1.26 -5.17 118.68 110.46 3knk s LEU 10 Ca 0.09 0.02 0.07 0.00 -1.03 0.00 0.00 54.13 53.29 3knk s LEU 10 Cb 0.00 1.09 0.03 0.00 0.03 0.00 0.00 46.19 47.35 3knk s LEU 10 CO 0.18 -0.03 0.66 0.21 0.23 0.00 0.00 176.35 177.61 3knk s ASN 11 N 2.99 5.44 0.11 2.29 3.84 -1.26 -4.99 114.94 123.35 3knk s ASN 11 Ca 0.27 -0.43 0.00 0.00 0.21 0.00 0.00 52.86 52.92 3knk s ASN 11 Cb -0.01 -0.50 0.00 0.00 -0.55 0.00 0.00 41.25 40.19 3knk s ASN 11 CO -0.21 -0.98 0.00 0.54 -2.79 0.00 0.00 177.10 173.67 3knk n ARG 12 N -2.04 -0.73 -3.31 0.43 1.74 -1.26 -4.56 116.66 106.93 3knk n ARG 12 Ca 0.10 0.54 -0.45 0.00 -0.77 0.00 0.00 57.85 57.27 3knk n ARG 12 Cb 0.60 -0.87 -0.00 0.00 -1.02 0.00 0.00 32.46 31.16 3knk n ARG 12 CO 0.00 0.00 0.00 -3.38 -1.52 0.00 0.00 177.63 172.73 3knk s HIS 13 N -2.23 4.22 0.00 -1.55 -3.43 -1.26 -4.80 115.29 106.24 3knk s HIS 13 Ca 0.00 -2.65 0.00 0.00 -0.80 0.00 0.00 55.06 51.61 3knk s HIS 13 Cb 0.00 -3.88 0.00 0.00 -1.43 0.00 0.00 32.58 27.27 3knk s HIS 13 CO 0.00 -0.99 0.00 -1.13 -2.00 0.00 0.00 174.74 170.62 3knk n SER 14 N 2.94 0.00 -0.31 7.38 3.41 -1.26 -2.69 113.62 123.08 3knk n SER 14 Ca 0.25 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.86 3knk n SER 14 Cb 0.39 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.34 3knk n SER 14 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 3knk n SER 15 N 0.83 0.00 0.00 4.04 3.41 -1.26 0.45 113.62 121.09 3knk n SER 15 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.61 3knk n SER 15 Cb 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 63.95 3knk n SER 15 CO 0.00 0.00 0.00 1.57 -0.16 0.00 0.00 175.04 176.45 3knk n HIS 16 N 0.08 0.00 0.11 7.33 -0.00 -1.09 -4.47 115.22 117.17 3knk n HIS 16 Ca 0.00 0.00 0.11 0.00 -0.00 0.00 0.00 57.72 57.83 3knk n HIS 16 Cb 0.00 0.05 0.17 0.00 -0.00 0.00 0.00 29.99 30.21 3knk n HIS 16 CO 0.00 0.00 0.00 -2.13 -0.00 0.00 0.00 176.34 174.21 3knk n ARG 17 N -1.99 0.02 0.04 1.57 0.63 0.63 0.19 116.66 117.75 3knk n ARG 17 Ca 0.00 0.96 -0.02 0.00 -0.92 0.00 0.00 57.85 57.87 3knk n ARG 17 Cb 0.00 -2.51 -0.01 0.00 0.45 0.00 0.00 32.46 30.39 3knk n ARG 17 CO 0.00 0.00 0.00 1.25 -2.51 0.00 0.00 177.63 176.37 3knk h LEU 18 N 0.00 -0.11 -1.85 6.15 7.12 -0.26 -3.04 115.31 123.32 3knk h LEU 18 Ca 0.20 0.00 0.08 0.00 0.13 0.00 0.00 57.88 58.29 3knk h LEU 18 Cb 2.34 0.03 -0.01 0.00 -0.53 0.00 0.00 40.66 42.49 3knk h LEU 18 CO -0.00 0.04 0.46 0.00 -0.13 0.00 0.00 178.44 178.81 3knk h ALA 19 N -1.69 1.84 -3.00 1.25 0.00 0.19 -2.66 119.26 115.19 3knk h ALA 19 Ca -0.01 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.89 3knk h ALA 19 Cb 0.10 0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.91 3knk h ALA 19 CO 0.02 -0.60 0.00 -0.11 0.00 0.00 0.00 179.25 178.57 3knk n LEU 20 N -3.31 0.00 -0.21 0.00 7.94 0.13 -1.06 117.00 120.49 3knk n LEU 20 Ca 0.04 0.18 -0.02 0.00 -1.11 0.00 0.00 56.01 55.10 3knk n LEU 20 Cb 0.59 0.00 -0.00 0.00 0.53 0.00 0.00 43.42 44.53 3knk n LEU 20 CO 0.20 0.00 0.30 -1.22 -1.11 0.00 0.00 177.39 175.56 3knk n TYR 21 N -0.23 -0.06 0.04 1.96 0.53 -1.03 0.04 117.16 118.42 3knk n TYR 21 Ca 0.00 0.67 -0.12 0.00 -1.02 0.00 0.00 57.90 57.42 3knk n TYR 21 Cb 0.00 -0.65 -0.08 0.00 -1.03 0.00 0.00 39.34 37.58 3knk n TYR 21 CO 0.00 0.00 0.00 0.00 -1.02 0.00 0.00 176.86 175.84 3knk h ARG 22 N 0.00 -0.50 0.00 -0.72 3.08 -1.49 -2.16 114.38 112.59 3knk h ARG 22 Ca 0.16 0.03 0.00 0.00 0.07 0.00 0.00 59.98 60.24 3knk h ARG 22 Cb 0.29 0.11 0.00 0.00 0.08 0.00 0.00 29.97 30.46 3knk h ARG 22 CO -0.53 -0.34 0.00 0.09 -1.07 0.00 0.00 179.97 178.13 3knk n ASN 23 N -4.79 0.00 0.00 7.04 5.03 0.11 -0.44 115.26 122.20 3knk n ASN 23 Ca -0.06 -0.66 0.00 0.00 0.87 0.00 0.00 54.58 54.74 3knk n ASN 23 Cb 0.31 0.00 0.00 0.00 -1.02 0.00 0.00 39.78 39.07 3knk n ASN 23 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 3knk n GLN 24 N -0.65 0.90 -0.06 3.52 6.02 -0.86 -4.10 117.38 122.14 3knk n GLN 24 Ca 0.03 -0.96 -0.11 0.00 -0.01 0.00 0.00 57.00 55.95 3knk n GLN 24 Cb 0.01 -0.99 -0.04 0.00 1.02 0.00 0.00 30.24 30.25 3knk n GLN 24 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 3knk n ALA 25 N -0.23 1.58 -0.33 -1.58 0.00 0.41 -2.66 120.51 117.70 3knk n ALA 25 Ca 0.00 -0.64 0.35 0.00 0.00 0.00 0.00 53.44 53.15 3knk n ALA 25 Cb 0.13 0.14 0.65 0.00 0.00 0.00 0.00 19.45 20.37 3knk n ALA 25 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.50 178.37 3knk h LYS 26 N -0.70 0.00 0.00 0.00 1.57 -1.16 0.50 116.57 116.78 3knk h LYS 26 Ca -0.15 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.62 3knk h LYS 26 Cb 0.93 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 33.23 3knk h LYS 26 CO -0.09 0.00 -0.41 0.77 -0.57 0.00 0.00 179.45 179.15 3knk h SER 27 N 0.00 0.00 -0.93 0.86 0.02 -1.73 -3.17 113.55 108.60 3knk h SER 27 Ca 0.58 -0.03 0.22 0.00 -0.84 0.00 0.00 61.79 61.72 3knk h SER 27 Cb 2.77 0.00 -0.18 0.00 0.14 0.00 0.00 62.40 65.13 3knk h SER 27 CO -0.01 0.72 -0.12 -0.11 -1.14 0.00 0.00 176.83 176.18 3knk n LEU 28 N -4.65 -0.23 -0.13 5.07 -0.00 0.13 0.08 117.00 117.28 3knk n LEU 28 Ca -0.06 1.59 -0.13 0.00 -0.00 0.00 0.00 56.01 57.41 3knk n LEU 28 Cb 0.22 -0.53 -0.02 0.00 -0.00 0.00 0.00 43.42 43.09 3knk n LEU 28 CO 0.09 -1.57 0.56 -0.07 -0.00 0.00 0.00 177.39 176.40 3knk h LEU 29 N 0.00 1.01 -3.51 -1.96 4.07 -0.58 -2.10 115.31 112.23 3knk h LEU 29 Ca 0.50 -0.46 -0.40 0.00 0.08 0.00 0.00 57.88 57.60 3knk h LEU 29 Cb 0.91 -0.28 -0.22 0.00 1.08 0.00 0.00 40.66 42.15 3knk h LEU 29 CO -0.92 1.25 0.52 1.07 -1.08 0.00 0.00 178.44 179.28 3knk n THR 30 N -4.07 2.75 -0.91 0.22 5.66 0.11 -4.01 114.28 114.03 3knk n THR 30 Ca -0.02 -1.63 0.00 0.00 -3.05 0.00 0.00 64.05 59.35 3knk n THR 30 Cb 0.53 -0.81 0.00 0.00 -1.55 0.00 0.00 70.33 68.50 3knk n THR 30 CO 0.00 0.00 0.00 1.41 -3.05 0.00 0.00 175.07 173.43 3knk n HIS 31 N -0.54 0.00 0.00 1.09 8.25 -0.93 -4.99 115.22 118.10 3knk n HIS 31 Ca 0.43 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.89 3knk n HIS 31 Cb 1.12 0.00 0.00 0.00 1.12 0.00 0.00 29.99 32.23 3knk n HIS 31 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3knk n GLY 32 N 0.00 1.82 3.46 -1.41 0.00 -0.79 -4.88 105.19 103.39 3knk n GLY 32 Ca 0.00 -0.10 -0.29 0.00 0.00 0.00 0.00 46.02 45.62 3knk n GLY 32 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3knk s ARG 33 N 0.00 1.65 0.02 1.61 3.00 -1.26 -3.15 118.95 120.82 3knk s ARG 33 Ca 0.00 -1.24 0.00 0.00 0.00 0.00 0.00 55.73 54.50 3knk s ARG 33 Cb 0.00 -2.04 -0.02 0.00 0.00 0.00 0.00 34.95 32.89 3knk s ARG 33 CO 0.00 0.47 -0.03 0.42 0.00 0.00 0.00 175.30 176.16 3knk s ILE 34 N -1.12 0.17 -0.15 1.52 -1.09 0.46 -4.91 121.20 116.07 3knk s ILE 34 Ca 0.17 -0.73 0.00 0.00 -2.23 0.00 0.00 60.65 57.86 3knk s ILE 34 Cb -0.10 -0.27 0.02 0.00 -1.58 0.00 0.00 42.46 40.53 3knk s ILE 34 CO 0.09 -0.36 -0.15 -0.89 -1.23 0.00 0.00 174.94 172.40 3knk s THR 35 N -1.10 1.65 0.15 2.92 2.01 -1.26 0.38 115.64 120.39 3knk s THR 35 Ca -0.11 -0.69 -0.19 0.00 0.31 0.00 0.00 61.69 61.00 3knk s THR 35 Cb -0.08 -1.54 0.05 0.00 0.01 0.00 0.00 72.50 70.94 3knk s THR 35 CO -0.01 0.46 0.51 0.42 -0.69 0.00 0.00 174.62 175.32 3knk s THR 36 N 1.45 0.03 0.53 -0.82 -4.23 -1.10 -4.99 115.64 106.51 3knk s THR 36 Ca 0.05 -0.36 -0.18 0.00 -1.18 0.00 0.00 61.69 60.02 3knk s THR 36 Cb -0.13 -1.17 -0.13 0.00 1.34 0.00 0.00 72.50 72.41 3knk s THR 36 CO -0.11 -0.14 0.03 0.35 -0.54 0.00 0.00 174.62 174.21 3knk n THR 37 N -0.31 0.57 0.00 3.99 -2.24 -1.26 -2.22 114.28 112.80 3knk n THR 37 Ca -0.15 -0.50 0.00 0.00 -2.27 0.00 0.00 64.05 61.13 3knk n THR 37 Cb 0.64 -0.17 0.00 0.00 -2.10 0.00 0.00 70.33 68.70 3knk n THR 37 CO 0.00 0.00 0.00 0.52 -0.57 0.00 0.00 175.07 175.02 3knk n VAL 38 N -1.57 0.00 -0.31 2.28 0.31 -1.10 -2.71 118.33 115.23 3knk n VAL 38 Ca 0.09 1.32 0.17 0.00 -0.01 0.00 0.00 64.34 65.91 3knk n VAL 38 Cb 0.47 -1.95 0.36 0.00 -0.91 0.00 0.00 33.84 31.81 3knk n VAL 38 CO 0.00 0.00 0.00 -0.65 -1.32 0.00 0.00 176.83 174.86 3knk h PRO 39 N 0.00 0.20 0.00 5.55 0.11 -1.90 0.69 132.00 136.65 3knk h PRO 39 Ca 0.00 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.10 3knk h PRO 39 Cb 0.00 -0.05 0.00 0.00 0.11 0.00 0.00 31.00 31.06 3knk h PRO 39 CO 0.00 0.13 0.04 -0.22 -0.21 0.00 0.00 178.00 177.74 3knk h LYS 40 N 0.21 0.00 0.01 1.05 3.64 -1.84 -3.10 116.57 116.54 3knk h LYS 40 Ca 0.63 0.00 -0.41 0.00 -1.27 0.00 0.00 60.65 59.60 3knk h LYS 40 Cb 1.35 0.00 -0.06 0.00 -0.41 0.00 0.00 32.23 33.11 3knk h LYS 40 CO -0.67 0.00 -2.37 0.00 -2.27 0.00 0.00 179.45 174.14 3knk n ALA 41 N -1.96 1.24 0.00 5.00 0.00 0.24 -3.26 120.51 121.77 3knk n ALA 41 Ca -0.02 -1.01 0.00 0.00 0.00 0.00 0.00 53.44 52.40 3knk n ALA 41 Cb 0.10 -0.10 0.00 0.00 0.00 0.00 0.00 19.45 19.45 3knk n ALA 41 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 3knk n LYS 42 N -3.77 0.00 -0.11 0.00 5.02 -1.05 -1.39 118.16 116.87 3knk n LYS 42 Ca -0.47 0.24 -0.20 0.00 -2.02 0.00 0.00 58.31 55.85 3knk n LYS 42 Cb 0.93 -1.60 -0.07 0.00 -0.02 0.00 0.00 35.03 34.28 3knk n LYS 42 CO 0.00 0.00 0.00 -1.91 -0.52 0.00 0.00 177.40 174.97 3knk n GLU 43 N -1.19 0.49 0.21 1.97 4.07 -1.22 -4.35 120.64 120.63 3knk n GLU 43 Ca 0.00 0.21 0.06 0.00 -0.06 0.00 0.00 57.16 57.37 3knk n GLU 43 Cb 0.10 -1.33 0.34 0.00 -0.06 0.00 0.00 31.44 30.49 3knk n GLU 43 CO 0.00 0.00 0.00 1.25 -0.06 0.00 0.00 177.13 178.32 3knk h LEU 44 N -0.86 0.00 0.00 4.31 7.12 -1.21 -2.99 115.31 121.69 3knk h LEU 44 Ca -0.43 0.00 0.00 0.00 0.13 0.00 0.00 57.88 57.58 3knk h LEU 44 Cb 1.33 0.00 0.00 0.00 -0.53 0.00 0.00 40.66 41.46 3knk h LEU 44 CO -0.26 0.00 0.00 -1.14 -0.13 0.00 0.00 178.44 176.91 3knk n ARG 45 N -2.20 0.00 0.30 1.25 0.63 -0.86 -2.38 116.66 113.40 3knk n ARG 45 Ca -0.01 0.00 0.08 0.00 -0.92 0.00 0.00 57.85 57.00 3knk n ARG 45 Cb 0.49 -0.46 0.42 0.00 0.45 0.00 0.00 32.46 33.35 3knk n ARG 45 CO 0.00 0.00 0.00 0.78 -2.51 0.00 0.00 177.63 175.90 3knk h GLY 46 N 0.00 0.00 1.74 5.14 0.00 -1.79 0.25 103.07 108.40 3knk h GLY 46 Ca 0.00 0.00 -0.23 0.00 0.00 0.00 0.00 47.33 47.10 3knk h GLY 46 CO 0.00 0.00 -1.04 -2.75 0.00 0.00 0.00 176.54 172.75 3knk h PHE 47 N 0.00 0.35 0.00 5.60 3.57 -1.59 -2.27 116.94 122.60 3knk h PHE 47 Ca 0.00 -0.22 -0.03 0.00 3.53 0.00 0.00 57.97 61.24 3knk h PHE 47 Cb 1.20 -0.03 -0.00 0.00 2.79 0.00 0.00 35.95 39.91 3knk h PHE 47 CO 0.00 1.11 -0.18 0.28 -2.23 0.00 0.00 178.31 177.29 3knk h VAL 48 N 0.09 1.68 -0.97 1.41 2.07 -0.36 -3.33 116.25 116.85 3knk h VAL 48 Ca -0.07 -2.33 0.32 0.00 0.82 0.00 0.00 66.70 65.43 3knk h VAL 48 Cb 1.73 3.25 -0.16 0.00 -1.52 0.00 0.00 31.29 34.58 3knk h VAL 48 CO 0.16 0.58 0.35 0.44 0.02 0.00 0.00 177.57 179.12 3knk h ASP 49 N -0.98 0.10 0.48 0.57 5.19 -0.73 -1.62 116.42 119.42 3knk h ASP 49 Ca -0.05 0.23 -0.02 0.00 -0.62 0.00 0.00 57.03 56.57 3knk h ASP 49 Cb 1.06 0.29 0.00 0.00 0.18 0.00 0.00 39.33 40.86 3knk h ASP 49 CO -0.02 -0.28 -0.23 -0.74 -3.12 0.00 0.00 179.24 174.85 3knk h HIS 50 N 0.13 -0.59 -0.04 4.55 2.76 -1.51 -2.55 115.15 117.90 3knk h HIS 50 Ca 0.69 -0.01 -0.02 0.00 -2.20 0.00 0.00 60.37 58.83 3knk h HIS 50 Cb 1.59 0.20 -0.00 0.00 1.55 0.00 0.00 27.41 30.74 3knk h HIS 50 CO -0.19 -0.27 -0.06 -0.07 -1.30 0.00 0.00 177.93 176.04 3knk h LEU 51 N -0.91 0.05 -0.72 0.26 4.07 -1.57 -0.20 115.31 116.29 3knk h LEU 51 Ca -0.07 -0.00 0.05 0.00 0.08 0.00 0.00 57.88 57.94 3knk h LEU 51 Cb 0.59 -0.01 -0.05 0.00 1.08 0.00 0.00 40.66 42.26 3knk h LEU 51 CO 0.11 0.12 0.42 0.40 -1.08 0.00 0.00 178.44 178.41 3knk h ILE 52 N 0.06 1.01 0.00 1.22 1.08 -1.21 0.38 117.51 120.04 3knk h ILE 52 Ca 0.01 -0.27 -0.04 0.00 -0.39 0.00 0.00 64.86 64.18 3knk h ILE 52 Cb 0.15 0.16 -0.01 0.00 -3.07 0.00 0.00 36.82 34.05 3knk h ILE 52 CO 0.01 0.14 -0.19 -0.74 -0.69 0.00 0.00 178.15 176.68 3knk h HIS 53 N 0.78 0.00 0.00 1.37 2.76 -0.76 -2.53 115.15 116.77 3knk h HIS 53 Ca 0.31 0.00 -0.04 0.00 -2.20 0.00 0.00 60.37 58.45 3knk h HIS 53 Cb 0.16 0.00 -0.01 0.00 1.55 0.00 0.00 27.41 29.11 3knk h HIS 53 CO -0.06 0.19 -0.17 -0.07 -1.30 0.00 0.00 177.93 176.52 3knk h LEU 54 N 0.00 0.00 -2.85 0.26 4.07 0.13 -2.58 115.31 114.34 3knk h LEU 54 Ca -0.00 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.96 3knk h LEU 54 Cb 0.91 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.65 3knk h LEU 54 CO 0.03 0.17 0.00 0.00 -1.08 0.00 0.00 178.44 177.56 3knk n ALA 55 N -2.22 2.83 -0.03 1.53 0.00 -0.14 -4.18 120.51 118.30 3knk n ALA 55 Ca -0.00 -1.42 -0.07 0.00 0.00 0.00 0.00 53.44 51.95 3knk n ALA 55 Cb 0.37 -1.00 -0.13 0.00 0.00 0.00 0.00 19.45 18.68 3knk n ALA 55 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 3knk n LYS 56 N 1.27 0.64 -3.07 0.00 4.81 -0.97 -4.15 118.16 116.69 3knk n LYS 56 Ca 0.24 0.21 -0.33 0.00 -0.87 0.00 0.00 58.31 57.56 3knk n LYS 56 Cb 0.77 -1.74 -0.03 0.00 0.02 0.00 0.00 35.03 34.05 3knk n LYS 56 CO 0.00 0.00 0.00 2.89 1.17 0.00 0.00 177.40 181.46 3knk n ARG 57 N -2.94 3.69 0.00 1.64 1.85 -1.26 -4.97 116.66 114.67 3knk n ARG 57 Ca -0.18 -4.69 0.00 0.00 -1.00 0.00 0.00 57.85 51.97 3knk n ARG 57 Cb 1.02 -2.35 0.00 0.00 -1.05 0.00 0.00 32.46 30.08 3knk n ARG 57 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 3knk n GLY 58 N 0.55 0.00 3.66 2.89 0.00 -1.26 -4.74 105.19 106.29 3knk n GLY 58 Ca 0.32 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 46.02 3knk n GLY 58 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3knk n ASP 59 N 0.25 0.40 -0.16 1.61 5.68 -1.26 -4.71 116.55 118.35 3knk n ASP 59 Ca 0.00 0.48 -0.09 0.00 -0.50 0.00 0.00 54.79 54.68 3knk n ASP 59 Cb 0.00 -1.47 -0.03 0.00 -1.14 0.00 0.00 41.12 38.48 3knk n ASP 59 CO 0.00 0.00 0.00 0.25 -1.33 0.00 0.00 177.20 176.12 3knk h LEU 60 N -1.48 -1.38 -0.60 -2.12 6.46 -2.01 -1.59 115.31 112.58 3knk h LEU 60 Ca -0.44 0.23 0.08 0.00 -0.12 0.00 0.00 57.88 57.62 3knk h LEU 60 Cb 1.28 0.63 -0.10 0.00 -0.73 0.00 0.00 40.66 41.74 3knk h LEU 60 CO 0.42 -0.35 -0.49 -0.74 -0.62 0.00 0.00 178.44 176.67 3knk h HIS 61 N -0.27 -1.49 -0.85 1.25 2.76 -1.95 -0.30 115.15 114.30 3knk h HIS 61 Ca 0.17 0.09 0.20 0.00 -2.20 0.00 0.00 60.37 58.63 3knk h HIS 61 Cb 0.57 0.73 -0.16 0.00 1.55 0.00 0.00 27.41 30.11 3knk h HIS 61 CO -0.65 -0.44 -0.05 0.00 -1.30 0.00 0.00 177.93 175.50 3knk h ALA 62 N 0.43 0.84 -0.48 5.26 0.00 -1.59 -2.34 119.26 121.37 3knk h ALA 62 Ca 0.15 0.30 0.00 0.00 0.00 0.00 0.00 54.91 55.36 3knk h ALA 62 Cb 0.55 0.53 0.00 0.00 0.00 0.00 0.00 17.79 18.88 3knk h ALA 62 CO -0.71 -0.45 0.00 -2.13 0.00 0.00 0.00 179.25 175.96 3knk n ARG 63 N -5.44 0.00 -0.38 0.00 0.63 -0.15 -3.18 116.66 108.14 3knk n ARG 63 Ca 0.16 0.49 0.38 0.00 -0.92 0.00 0.00 57.85 57.96 3knk n ARG 63 Cb 0.54 -1.42 0.76 0.00 0.45 0.00 0.00 32.46 32.79 3knk n ARG 63 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 3knk h ARG 64 N 0.00 0.01 0.09 -0.14 3.08 -1.21 -0.12 114.38 116.09 3knk h ARG 64 Ca 0.00 -0.00 -0.00 0.00 0.07 0.00 0.00 59.98 60.05 3knk h ARG 64 Cb 0.00 -0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.05 3knk h ARG 64 CO 0.00 0.01 -0.05 -0.07 -1.07 0.00 0.00 179.97 178.79 3knk h LEU 65 N 0.01 -0.12 -1.46 3.04 4.07 -1.41 -1.89 115.31 117.55 3knk h LEU 65 Ca 0.62 0.01 0.42 0.00 0.08 0.00 0.00 57.88 59.00 3knk h LEU 65 Cb 2.47 0.03 -0.06 0.00 1.08 0.00 0.00 40.66 44.18 3knk h LEU 65 CO -0.02 -0.08 1.30 0.58 -1.08 0.00 0.00 178.44 179.15 3knk h VAL 66 N -0.13 0.01 0.00 1.22 2.07 -0.98 1.37 116.25 119.81 3knk h VAL 66 Ca -0.01 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.51 3knk h VAL 66 Cb 0.10 0.01 0.00 0.00 -1.52 0.00 0.00 31.29 29.88 3knk h VAL 66 CO 0.02 0.00 0.00 -0.11 0.02 0.00 0.00 177.57 177.50 3knk n LEU 67 N -3.54 0.33 -0.26 2.57 7.94 -0.72 -0.92 117.00 122.39 3knk n LEU 67 Ca 0.32 0.56 0.09 0.00 -1.11 0.00 0.00 56.01 55.88 3knk n LEU 67 Cb 1.74 -0.49 0.43 0.00 0.53 0.00 0.00 43.42 45.62 3knk n LEU 67 CO 0.33 -0.29 0.79 0.54 -1.11 0.00 0.00 177.39 177.65 3knk n ARG 68 N -1.84 1.34 0.05 1.96 1.74 0.47 -4.19 116.66 116.20 3knk n ARG 68 Ca 0.04 -0.52 0.00 0.00 -0.77 0.00 0.00 57.85 56.60 3knk n ARG 68 Cb 0.26 -1.32 0.00 0.00 -1.02 0.00 0.00 32.46 30.38 3knk n ARG 68 CO 0.00 0.00 0.00 -0.25 -1.52 0.00 0.00 177.63 175.86 3knk n ASP 69 N -0.25 0.69 -4.63 0.55 10.43 -0.50 -4.98 116.55 117.87 3knk n ASP 69 Ca 0.14 0.16 -0.41 0.00 2.57 0.00 0.00 54.79 57.25 3knk n ASP 69 Cb 0.18 -0.16 -0.06 0.00 1.84 0.00 0.00 41.12 42.93 3knk n ASP 69 CO 0.00 0.00 0.00 -0.76 -1.07 0.00 0.00 177.20 175.37 3knk s LEU 70 N -6.75 4.08 0.18 0.64 1.43 -0.10 -4.88 118.68 113.27 3knk s LEU 70 Ca 0.00 0.77 0.19 0.00 -1.03 0.00 0.00 54.13 54.06 3knk s LEU 70 Cb 0.00 -2.96 -0.01 0.00 0.03 0.00 0.00 46.19 43.24 3knk s LEU 70 CO 0.00 -0.44 1.09 -0.61 0.23 0.00 0.00 176.35 176.61 3knk h GLN 71 N 7.88 0.00 -6.33 1.70 5.75 -1.87 -3.39 115.11 118.86 3knk h GLN 71 Ca -0.25 0.00 -0.55 0.00 -0.15 0.00 0.00 58.65 57.70 3knk h GLN 71 Cb 1.11 0.00 -0.08 0.00 1.07 0.00 0.00 27.48 29.58 3knk h GLN 71 CO 0.81 0.22 1.09 0.34 -2.65 0.00 0.00 178.83 178.65 3knk s ASP 72 N -5.84 6.19 0.27 -0.69 3.68 -1.26 -4.89 116.67 114.12 3knk s ASP 72 Ca 0.00 -0.54 -0.03 0.00 2.13 0.00 0.00 52.55 54.11 3knk s ASP 72 Cb 0.08 -2.56 0.56 0.00 -1.45 0.00 0.00 42.92 39.56 3knk s ASP 72 CO 0.78 -1.81 1.64 0.58 0.13 0.00 0.00 175.17 176.49 3knk h VAL 73 N 6.09 0.31 0.21 1.11 2.07 -1.99 -2.60 116.25 121.46 3knk h VAL 73 Ca -0.24 -0.05 -0.01 0.00 0.82 0.00 0.00 66.70 67.22 3knk h VAL 73 Cb 1.05 0.16 -0.01 0.00 -1.52 0.00 0.00 31.29 30.97 3knk h VAL 73 CO 1.29 0.03 -0.19 0.11 0.02 0.00 0.00 177.57 178.83 3knk h LYS 74 N 0.14 -0.38 -1.69 1.57 1.57 -1.99 -2.45 116.57 113.34 3knk h LYS 74 Ca 0.48 0.03 0.51 0.00 -1.87 0.00 0.00 60.65 59.80 3knk h LYS 74 Cb 0.90 0.09 -0.09 0.00 0.08 0.00 0.00 32.23 33.21 3knk h LYS 74 CO -0.68 -0.25 1.19 -0.11 -0.57 0.00 0.00 179.45 179.03 3knk n LEU 75 N -3.46 0.05 -0.06 2.94 -0.00 -1.00 0.47 117.00 115.94 3knk n LEU 75 Ca -0.05 1.02 -0.08 0.00 -0.00 0.00 0.00 56.01 56.91 3knk n LEU 75 Cb 0.18 -0.51 -0.01 0.00 -0.00 0.00 0.00 43.42 43.08 3knk n LEU 75 CO 0.10 -1.06 0.88 0.58 -0.00 0.00 0.00 177.39 177.90 3knk h VAL 76 N 0.00 0.86 -0.19 1.96 2.07 -1.25 -2.03 116.25 117.67 3knk h VAL 76 Ca 0.86 -0.04 -0.04 0.00 0.82 0.00 0.00 66.70 68.30 3knk h VAL 76 Cb 3.29 0.72 -0.01 0.00 -1.52 0.00 0.00 31.29 33.77 3knk h VAL 76 CO -0.13 0.02 -0.04 0.03 0.02 0.00 0.00 177.57 177.48 3knk h ARG 77 N 0.13 0.36 0.00 1.57 3.08 -0.06 0.57 114.38 120.02 3knk h ARG 77 Ca 0.12 -0.14 0.00 0.00 0.07 0.00 0.00 59.98 60.03 3knk h ARG 77 Cb 0.13 -0.02 0.00 0.00 0.08 0.00 0.00 29.97 30.16 3knk h ARG 77 CO -0.17 0.61 0.41 -0.22 -1.07 0.00 0.00 179.97 179.53 3knk h LYS 78 N 0.08 0.00 0.00 0.04 3.64 -1.32 0.11 116.57 119.11 3knk h LYS 78 Ca 0.05 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.43 3knk h LYS 78 Cb 0.48 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.30 3knk h LYS 78 CO 0.02 0.00 -0.57 -0.11 -2.27 0.00 0.00 179.45 176.52 3knk n LEU 79 N -2.00 1.19 0.27 5.20 0.00 -0.46 -3.33 117.00 117.88 3knk n LEU 79 Ca -0.01 0.25 -0.18 0.00 0.00 0.00 0.00 56.01 56.08 3knk n LEU 79 Cb 0.43 -0.66 -0.10 0.00 0.00 0.00 0.00 43.42 43.09 3knk n LEU 79 CO 0.05 -0.38 0.52 -0.26 0.00 0.00 0.00 177.39 177.32 3knk h PHE 80 N -0.62 -1.41 0.00 1.96 0.04 0.24 0.39 116.94 117.54 3knk h PHE 80 Ca 0.00 0.01 -0.11 0.00 2.80 0.00 0.00 57.97 60.67 3knk h PHE 80 Cb 0.57 0.55 -0.02 0.00 2.20 0.00 0.00 35.95 39.25 3knk h PHE 80 CO -0.24 -0.66 -0.54 -0.44 -0.60 0.00 0.00 178.31 175.83 3knk h ASP 81 N -0.98 0.00 0.00 2.17 3.45 -1.24 -3.36 116.42 116.46 3knk h ASP 81 Ca -0.06 0.00 -0.23 0.00 0.43 0.00 0.00 57.03 57.17 3knk h ASP 81 Cb 0.86 0.00 -0.04 0.00 -0.56 0.00 0.00 39.33 39.58 3knk h ASP 81 CO -0.08 0.54 -1.86 1.21 -1.57 0.00 0.00 179.24 177.47 3knk n GLU 82 N -3.46 1.33 -0.08 3.56 2.13 -1.18 -4.65 120.64 118.28 3knk n GLU 82 Ca 0.00 0.03 -0.09 0.00 0.66 0.00 0.00 57.16 57.77 3knk n GLU 82 Cb 0.65 -1.31 -0.03 0.00 0.27 0.00 0.00 31.44 31.01 3knk n GLU 82 CO 0.00 0.00 0.00 -0.89 -0.41 0.00 0.00 177.13 175.83 3knk n ILE 83 N -2.66 1.45 -0.29 6.31 2.08 0.12 -4.44 119.36 121.93 3knk n ILE 83 Ca -0.23 0.15 -0.02 0.00 0.56 0.00 0.00 62.75 63.20 3knk n ILE 83 Cb 0.86 -2.32 0.01 0.00 -0.75 0.00 0.00 39.64 37.43 3knk n ILE 83 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 3knk n ALA 84 N -3.79 -0.18 -0.00 -1.39 0.00 -0.38 -1.53 120.51 113.25 3knk n ALA 84 Ca -0.14 0.71 0.00 0.00 0.00 0.00 0.00 53.44 54.01 3knk n ALA 84 Cb 0.39 -0.28 0.00 0.00 0.00 0.00 0.00 19.45 19.56 3knk n ALA 84 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 3knk n PRO 85 N -5.05 0.00 -0.17 0.00 -0.02 -1.26 -1.69 135.00 126.81 3knk n PRO 85 Ca 0.06 0.64 -0.01 0.00 -2.02 0.00 0.00 63.50 62.18 3knk n PRO 85 Cb 0.27 -0.96 0.02 0.00 -0.02 0.00 0.00 33.50 32.81 3knk n PRO 85 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 3knk n ARG 86 N -2.63 -0.11 -0.02 -0.52 1.74 -0.58 0.27 116.66 114.81 3knk n ARG 86 Ca 0.00 0.69 0.10 0.00 -0.77 0.00 0.00 57.85 57.87 3knk n ARG 86 Cb 0.00 -1.02 0.53 0.00 -1.02 0.00 0.00 32.46 30.95 3knk n ARG 86 CO 0.00 0.00 0.00 0.66 -1.52 0.00 0.00 177.63 176.77 3knk n TYR 87 N -4.66 0.05 -0.27 -1.55 4.01 -0.68 -4.23 117.16 109.82 3knk n TYR 87 Ca 0.05 -0.02 0.22 0.00 -0.16 0.00 0.00 57.90 57.98 3knk n TYR 87 Cb 0.18 0.00 0.41 0.00 -0.31 0.00 0.00 39.34 39.62 3knk n TYR 87 CO 0.00 0.00 0.00 -2.13 -0.46 0.00 0.00 176.86 174.27 3knk n ARG 88 N -0.52 -0.06 -3.68 -0.72 0.00 0.76 -1.90 116.66 110.54 3knk n ARG 88 Ca 0.15 1.18 -0.35 0.00 -0.00 0.00 0.00 57.85 58.82 3knk n ARG 88 Cb 0.14 -2.03 -0.08 0.00 0.00 0.00 0.00 32.46 30.49 3knk n ARG 88 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.63 177.12 3knk s ASP 89 N -4.73 5.75 0.00 6.15 1.01 -1.26 -4.97 116.67 118.61 3knk s ASP 89 Ca -0.09 -3.60 0.00 0.00 0.71 0.00 0.00 52.55 49.57 3knk s ASP 89 Cb 0.27 -1.87 0.00 0.00 1.01 0.00 0.00 42.92 42.33 3knk s ASP 89 CO 0.65 -0.20 0.00 -1.14 0.21 0.00 0.00 175.17 174.69 3knk n ARG 90 N 2.47 0.00 -3.28 8.23 0.63 -0.80 -5.09 116.66 118.83 3knk n ARG 90 Ca 0.19 0.00 -0.43 0.00 -0.92 0.00 0.00 57.85 56.69 3knk n ARG 90 Cb 0.37 0.00 -0.01 0.00 0.45 0.00 0.00 32.46 33.27 3knk n ARG 90 CO 0.00 0.00 0.00 0.94 -2.51 0.00 0.00 177.63 176.06 3knk n GLN 91 N 0.00 3.68 0.00 -0.14 7.27 -1.26 -5.00 117.38 121.93 3knk n GLN 91 Ca 0.00 -4.50 0.00 0.00 0.07 0.00 0.00 57.00 52.57 3knk n GLN 91 Cb 0.00 -2.51 0.00 0.00 2.41 0.00 0.00 30.24 30.14 3knk n GLN 91 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 3knk n GLY 92 N 2.19 0.85 2.64 1.69 0.00 -1.26 -5.02 105.19 106.28 3knk n GLY 92 Ca 0.24 -2.21 -0.12 0.00 0.00 0.00 0.00 46.02 43.93 3knk n GLY 92 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3knk n GLY 93 N -1.09 -0.34 0.00 -0.02 0.00 -1.26 -4.68 105.19 97.80 3knk n GLY 93 Ca 0.00 0.02 0.00 0.00 0.00 0.00 0.00 46.02 46.04 3knk n GLY 93 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 3knk n TYR 94 N -2.33 0.00 -3.78 1.61 4.02 -1.26 -4.50 117.16 110.92 3knk n TYR 94 Ca 0.03 0.00 -0.13 0.00 -0.01 0.00 0.00 57.90 57.80 3knk n TYR 94 Cb 0.36 0.00 -0.13 0.00 -0.02 0.00 0.00 39.34 39.55 3knk n TYR 94 CO 0.00 0.00 0.00 -0.08 -1.01 0.00 0.00 176.86 175.77 3knk s THR 95 N -1.79 -0.01 -0.06 -0.72 -1.32 -1.26 -3.17 115.64 107.30 3knk s THR 95 Ca 0.00 0.05 -0.01 0.00 -1.21 0.00 0.00 61.69 60.52 3knk s THR 95 Cb 0.00 -0.29 -0.03 0.00 -1.51 0.00 0.00 72.50 70.66 3knk s THR 95 CO 0.00 0.02 0.01 -0.60 -2.21 0.00 0.00 174.62 171.84 3knk s ARG 96 N 0.44 2.94 -0.29 7.08 3.52 0.87 -4.84 118.95 128.68 3knk s ARG 96 Ca -0.03 -0.46 0.00 0.00 -0.13 0.00 0.00 55.73 55.11 3knk s ARG 96 Cb -0.04 -2.77 0.09 0.00 -1.56 0.00 0.00 34.95 30.67 3knk s ARG 96 CO -0.02 0.68 0.05 0.08 -0.81 0.00 0.00 175.30 175.28 3knk s VAL 97 N -0.96 1.22 0.21 7.11 1.01 -1.26 -0.39 120.40 127.35 3knk s VAL 97 Ca 0.16 -1.44 0.08 0.00 0.00 0.00 0.00 61.98 60.77 3knk s VAL 97 Cb -0.11 -1.81 -0.04 0.00 0.00 0.00 0.00 36.38 34.42 3knk s VAL 97 CO 0.05 -0.50 0.04 -0.76 0.00 0.00 0.00 175.10 173.93 3knk s LEU 98 N 1.47 3.39 -0.15 3.92 1.43 -0.81 -4.98 118.68 122.96 3knk s LEU 98 Ca 0.06 -0.43 -0.10 0.00 -1.03 0.00 0.00 54.13 52.63 3knk s LEU 98 Cb -0.18 -1.98 -0.05 0.00 0.03 0.00 0.00 46.19 44.02 3knk s LEU 98 CO -0.16 0.04 0.18 -0.54 0.23 0.00 0.00 176.35 176.09 3knk s LYS 99 N -3.32 3.87 -0.08 1.70 1.02 -1.26 -1.11 119.74 120.56 3knk s LYS 99 Ca 0.30 -0.09 -0.12 0.00 0.02 0.00 0.00 55.97 56.08 3knk s LYS 99 Cb -0.08 -3.31 -0.05 0.00 -0.52 0.00 0.00 37.83 33.87 3knk s LYS 99 CO 0.20 0.52 0.28 -0.51 -0.92 0.00 0.00 175.35 174.92 3knk s LEU 100 N -0.31 4.39 1.05 3.17 2.01 -1.10 -4.92 118.68 122.97 3knk s LEU 100 Ca 0.13 0.68 -0.17 0.00 0.01 0.00 0.00 54.13 54.78 3knk s LEU 100 Cb -0.12 -2.34 0.23 0.00 0.01 0.00 0.00 46.19 43.97 3knk s LEU 100 CO 0.02 0.31 1.25 0.00 1.01 0.00 0.00 176.35 178.95 3knk s ALA 101 N -0.74 1.68 0.28 4.21 0.00 -1.26 -4.34 121.76 121.59 3knk s ALA 101 Ca 0.19 -1.12 0.00 0.00 0.00 0.00 0.00 51.96 51.02 3knk s ALA 101 Cb -0.14 -2.81 0.00 0.00 0.00 0.00 0.00 23.12 20.17 3knk s ALA 101 CO 0.08 -2.84 0.00 0.39 0.00 0.00 0.00 175.76 173.39 3knk n GLU 102 N -4.11 -4.84 -4.25 0.00 1.02 -1.26 -4.82 120.64 102.37 3knk n GLU 102 Ca 0.15 3.46 -0.27 0.00 -0.02 0.00 0.00 57.16 60.47 3knk n GLU 102 Cb 0.59 -3.85 -0.09 0.00 -0.02 0.00 0.00 31.44 28.08 3knk n GLU 102 CO 0.00 0.00 0.00 -0.98 1.18 0.00 0.00 177.13 177.33 3knk s ARG 103 N -1.31 2.17 -0.35 3.49 1.70 -1.26 -4.29 118.95 119.10 3knk s ARG 103 Ca 0.00 -1.18 -0.39 0.00 -0.47 0.00 0.00 55.73 53.69 3knk s ARG 103 Cb 0.00 -2.24 -0.15 0.00 -0.57 0.00 0.00 34.95 31.99 3knk s ARG 103 CO 0.00 0.45 1.98 0.54 -1.08 0.00 0.00 175.30 177.19 3knk n ARG 104 N 0.10 0.91 -1.90 3.89 1.74 -1.23 -4.73 116.66 115.43 3knk n ARG 104 Ca -0.11 0.29 -0.42 0.00 -0.77 0.00 0.00 57.85 56.84 3knk n ARG 104 Cb 0.55 -2.13 0.00 0.00 -1.02 0.00 0.00 32.46 29.86 3knk n ARG 104 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 3knk n ARG 105 N 6.80 3.03 0.00 5.56 1.74 -1.26 0.11 116.66 132.64 3knk n ARG 105 Ca 0.37 -2.84 0.00 0.00 -0.77 0.00 0.00 57.85 54.61 3knk n ARG 105 Cb 0.13 -3.22 0.00 0.00 -1.02 0.00 0.00 32.46 28.35 3knk n ARG 105 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3knk n GLY 106 N 3.88 0.65 0.00 -0.13 0.00 -1.26 -4.90 105.19 103.43 3knk n GLY 106 Ca 0.49 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.51 3knk n GLY 106 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3knk n ASP 107 N 0.00 0.00 -3.16 1.61 3.85 -1.12 -5.10 116.55 112.64 3knk n ASP 107 Ca 0.00 0.00 -0.09 0.00 -0.71 0.00 0.00 54.79 53.99 3knk n ASP 107 Cb 0.00 0.00 0.04 0.00 -1.35 0.00 0.00 41.12 39.81 3knk n ASP 107 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 3knk n GLY 108 N 0.00 -1.18 3.83 6.12 0.00 0.30 -5.02 105.19 109.24 3knk n GLY 108 Ca 0.00 0.53 -0.30 0.00 0.00 0.00 0.00 46.02 46.26 3knk n GLY 108 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3knk s ALA 109 N -3.23 3.72 0.58 4.61 0.00 -1.26 -4.87 121.76 121.32 3knk s ALA 109 Ca 0.27 -0.99 -0.19 0.00 0.00 0.00 0.00 51.96 51.05 3knk s ALA 109 Cb -0.04 -1.56 -0.04 0.00 0.00 0.00 0.00 23.12 21.48 3knk s ALA 109 CO 0.74 0.72 1.22 -1.25 0.00 0.00 0.00 175.76 177.19 3knk s PRO 110 N -2.59 3.03 0.23 0.00 0.04 -1.26 -3.47 135.00 130.98 3knk s PRO 110 Ca 0.31 1.87 0.07 0.00 0.04 0.00 0.00 61.00 63.30 3knk s PRO 110 Cb -0.12 -1.99 -0.04 0.00 0.04 0.00 0.00 34.50 32.39 3knk s PRO 110 CO 0.24 -1.17 0.13 -0.51 0.04 0.00 0.00 177.00 175.73 3knk s LEU 111 N -3.95 3.65 0.19 -3.56 2.01 -1.26 -2.72 118.68 113.03 3knk s LEU 111 Ca 0.76 -0.31 -0.14 0.00 0.01 0.00 0.00 54.13 54.45 3knk s LEU 111 Cb -0.32 -2.21 0.01 0.00 0.01 0.00 0.00 46.19 43.69 3knk s LEU 111 CO 0.35 0.00 0.42 0.00 1.01 0.00 0.00 176.35 178.13 3knk s ALA 112 N -2.05 -0.49 0.09 4.21 0.00 -0.94 -2.73 121.76 119.85 3knk s ALA 112 Ca 0.32 -0.55 0.10 0.00 0.00 0.00 0.00 51.96 51.82 3knk s ALA 112 Cb -0.08 0.87 -0.03 0.00 0.00 0.00 0.00 23.12 23.87 3knk s ALA 112 CO 0.23 -0.74 -0.25 -1.17 0.00 0.00 0.00 175.76 173.83 3knk s LEU 113 N -2.92 2.25 -0.06 0.00 2.96 -0.26 -2.69 118.68 117.95 3knk s LEU 113 Ca 0.13 -0.66 -0.03 0.00 -0.22 0.00 0.00 54.13 53.36 3knk s LEU 113 Cb 0.01 -1.16 0.04 0.00 0.50 0.00 0.00 46.19 45.57 3knk s LEU 113 CO -0.01 0.19 0.13 -0.69 -1.32 0.00 0.00 176.35 174.65 3knk s VAL 114 N -0.96 -0.05 0.05 1.68 1.01 0.16 -1.92 120.40 120.37 3knk s VAL 114 Ca 0.11 0.18 -0.17 0.00 0.00 0.00 0.00 61.98 62.10 3knk s VAL 114 Cb -0.10 -0.22 0.03 0.00 0.00 0.00 0.00 36.38 36.10 3knk s VAL 114 CO 0.04 0.07 0.39 -1.83 0.00 0.00 0.00 175.10 173.78 3knk s GLU 115 N 1.12 0.92 -0.14 2.72 -1.05 0.48 0.17 118.70 122.92 3knk s GLU 115 Ca -0.09 -0.42 -0.28 0.00 -0.15 0.00 0.00 54.97 54.03 3knk s GLU 115 Cb -0.11 0.41 -0.01 0.00 -0.44 0.00 0.00 34.13 33.97 3knk s GLU 115 CO -0.05 -0.32 0.94 -0.51 0.95 0.00 0.00 175.26 176.27 3knk s LEU 116 N -2.10 4.20 0.45 1.83 1.43 -1.19 0.30 118.68 123.61 3knk s LEU 116 Ca -0.04 1.37 -0.21 0.00 -1.03 0.00 0.00 54.13 54.23 3knk s LEU 116 Cb -0.00 -3.43 -0.13 0.00 0.03 0.00 0.00 46.19 42.65 3knk s LEU 116 CO -0.04 -0.45 0.27 0.52 0.23 0.00 0.00 176.35 176.89 3knk n VAL 117 N 4.69 1.16 0.00 -1.59 0.31 -1.19 -4.86 118.33 116.85 3knk n VAL 117 Ca 0.07 -0.50 0.00 0.00 -0.01 0.00 0.00 64.34 63.90 3knk n VAL 117 Cb 0.48 -0.28 0.00 0.00 -0.91 0.00 0.00 33.84 33.13 3knk n VAL 117 CO 0.00 0.00 0.00 1.21 -1.32 0.00 0.00 176.83 176.72