#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3knk n ALA 4 N 0.00 0.00 0.48 2.41 0.00 -1.26 -4.92 120.51 117.22 3knk n ALA 4 Ca 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 53.44 53.43 3knk n ALA 4 Cb 0.00 0.00 0.08 0.00 0.00 0.00 0.00 19.45 19.53 3knk n ALA 4 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 3knk n TYR 5 N 0.00 0.64 -0.08 0.00 4.02 -1.26 -3.37 117.16 117.10 3knk n TYR 5 Ca 0.00 -0.46 -0.08 0.00 -0.01 0.00 0.00 57.90 57.35 3knk n TYR 5 Cb 0.00 -0.30 -0.13 0.00 -0.02 0.00 0.00 39.34 38.89 3knk n TYR 5 CO 0.00 0.00 0.00 -0.25 -1.01 0.00 0.00 176.86 175.60 3knk n ASP 6 N 0.13 0.85 0.42 7.72 8.00 -1.26 -4.49 116.55 127.92 3knk n ASP 6 Ca 0.11 -0.00 -0.18 0.00 0.71 0.00 0.00 54.79 55.42 3knk n ASP 6 Cb 0.62 0.90 -0.09 0.00 -0.02 0.00 0.00 41.12 42.53 3knk n ASP 6 CO 0.00 0.00 0.00 0.58 -0.39 0.00 0.00 177.20 177.39 3knk h VAL 7 N 0.00 0.20 -2.89 2.53 2.07 -1.97 -3.39 116.25 112.81 3knk h VAL 7 Ca -0.46 -0.07 -0.55 0.00 0.82 0.00 0.00 66.70 66.45 3knk h VAL 7 Cb 2.04 0.22 -0.07 0.00 -1.52 0.00 0.00 31.29 31.95 3knk h VAL 7 CO 0.02 0.01 1.04 -0.63 0.02 0.00 0.00 177.57 178.03 3knk s ILE 8 N -5.80 3.87 -0.24 4.57 1.01 -1.26 -1.09 121.20 122.26 3knk s ILE 8 Ca -0.18 0.72 -0.09 0.00 0.00 0.00 0.00 60.65 61.10 3knk s ILE 8 Cb 0.03 -4.66 -0.17 0.00 0.01 0.00 0.00 42.46 37.67 3knk s ILE 8 CO 0.59 -1.38 -0.10 0.18 0.00 0.00 0.00 174.94 174.22 3knk n LEU 9 N 9.08 2.39 0.00 2.97 4.77 -0.77 -4.91 117.00 130.52 3knk n LEU 9 Ca 0.09 0.18 0.00 0.00 -0.03 0.00 0.00 56.01 56.25 3knk n LEU 9 Cb 0.49 -0.92 0.00 0.00 -2.33 0.00 0.00 43.42 40.66 3knk n LEU 9 CO 0.71 0.69 0.00 0.00 -1.33 0.00 0.00 177.39 177.46 3knk n ALA 10 N -3.59 0.00 -2.52 -1.18 0.00 -1.07 -4.99 120.51 107.16 3knk n ALA 10 Ca -0.44 0.00 -0.24 0.00 0.00 0.00 0.00 53.44 52.75 3knk n ALA 10 Cb 0.91 0.00 -0.10 0.00 0.00 0.00 0.00 19.45 20.26 3knk n ALA 10 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 3knk s PRO 11 N -1.74 1.79 0.00 0.00 0.04 -1.26 -1.55 135.00 132.28 3knk s PRO 11 Ca 0.00 -2.02 0.00 0.00 0.04 0.00 0.00 61.00 59.02 3knk s PRO 11 Cb 0.00 -1.10 0.00 0.00 0.04 0.00 0.00 34.50 33.44 3knk s PRO 11 CO 0.00 -0.18 0.00 1.33 0.04 0.00 0.00 177.00 178.19 3knk n VAL 12 N -0.82 0.00 -1.50 -0.36 0.24 0.17 -4.52 118.33 111.54 3knk n VAL 12 Ca -0.04 0.00 -0.00 0.00 -2.04 0.00 0.00 64.34 62.26 3knk n VAL 12 Cb 0.67 0.00 0.00 0.00 -1.47 0.00 0.00 33.84 33.04 3knk n VAL 12 CO 0.00 0.00 0.00 0.18 -2.14 0.00 0.00 176.83 174.87 3knk n LEU 13 N 0.00 -2.01 -3.61 1.34 4.77 -1.26 -4.90 117.00 111.33 3knk n LEU 13 Ca 0.00 -0.00 -0.10 0.00 -0.03 0.00 0.00 56.01 55.88 3knk n LEU 13 Cb 0.00 -0.67 -0.06 0.00 -2.33 0.00 0.00 43.42 40.36 3knk n LEU 13 CO 0.00 -0.00 0.72 -0.94 -1.33 0.00 0.00 177.39 175.84 3knk s SER 14 N -2.68 -0.45 0.31 -1.43 1.04 -1.26 -5.02 113.70 104.20 3knk s SER 14 Ca 0.00 0.75 0.03 0.00 0.48 0.00 0.00 55.95 57.21 3knk s SER 14 Cb -0.00 0.71 0.79 0.00 0.10 0.00 0.00 66.02 67.62 3knk s SER 14 CO 0.00 -0.24 1.52 1.21 0.98 0.00 0.00 173.24 176.71 3knk n GLU 15 N 1.72 -0.08 0.10 4.02 4.07 -1.26 -0.65 120.64 128.56 3knk n GLU 15 Ca -0.12 1.44 -0.13 0.00 -0.06 0.00 0.00 57.16 58.29 3knk n GLU 15 Cb 0.56 -2.31 -0.07 0.00 -0.06 0.00 0.00 31.44 29.56 3knk n GLU 15 CO 0.00 0.00 0.00 -0.22 -0.06 0.00 0.00 177.13 176.85 3knk h LYS 16 N 0.00 -0.22 -0.13 5.31 3.64 -2.00 -2.93 116.57 120.25 3knk h LYS 16 Ca 0.61 0.01 -0.02 0.00 -1.27 0.00 0.00 60.65 59.98 3knk h LYS 16 Cb 1.29 0.05 -0.01 0.00 -0.41 0.00 0.00 32.23 33.15 3knk h LYS 16 CO -0.90 -0.14 -0.01 0.00 -2.27 0.00 0.00 179.45 176.13 3knk h ALA 17 N 0.65 1.75 0.06 5.00 0.00 -1.29 -2.65 119.26 122.78 3knk h ALA 17 Ca -0.00 -0.09 -0.00 0.00 0.00 0.00 0.00 54.91 54.82 3knk h ALA 17 Cb 0.21 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.94 3knk h ALA 17 CO -0.02 0.19 -0.03 1.88 0.00 0.00 0.00 179.25 181.28 3knk h TYR 18 N 0.18 -0.07 0.00 0.00 0.05 -1.26 -1.09 116.97 114.78 3knk h TYR 18 Ca 0.04 -0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.82 3knk h TYR 18 Cb 0.15 0.02 0.00 0.00 1.01 0.00 0.00 36.73 37.91 3knk h TYR 18 CO 0.00 0.11 0.25 0.00 -1.05 0.00 0.00 178.16 177.46 3knk h ALA 19 N 0.69 1.20 0.00 3.88 0.00 -1.30 1.45 119.26 125.19 3knk h ALA 19 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.90 3knk h ALA 19 Cb 0.21 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.00 3knk h ALA 19 CO 0.01 -0.20 0.00 0.78 0.00 0.00 0.00 179.25 179.84 3knk h GLY 20 N 0.00 0.00 1.14 0.00 0.00 -1.13 -3.19 103.07 99.89 3knk h GLY 20 Ca 0.00 0.00 -0.20 0.00 0.00 0.00 0.00 47.33 47.13 3knk h GLY 20 CO 0.00 0.00 -0.67 0.74 0.00 0.00 0.00 176.54 176.61 3knk h PHE 21 N 0.00 1.06 -1.25 5.60 0.05 0.20 -1.81 116.94 120.79 3knk h PHE 21 Ca 0.00 -0.43 0.36 0.00 3.82 0.00 0.00 57.97 61.72 3knk h PHE 21 Cb 0.62 -0.18 -0.08 0.00 2.00 0.00 0.00 35.95 38.31 3knk h PHE 21 CO 0.00 1.26 0.85 0.00 -0.18 0.00 0.00 178.31 180.25 3knk h ALA 22 N 0.59 2.84 -0.46 2.45 0.00 -1.66 -3.40 119.26 119.63 3knk h ALA 22 Ca -0.03 0.02 -0.59 0.00 0.00 0.00 0.00 54.91 54.32 3knk h ALA 22 Cb 1.29 0.10 -0.04 0.00 0.00 0.00 0.00 17.79 19.14 3knk h ALA 22 CO 0.14 -1.28 -0.28 -1.21 0.00 0.00 0.00 179.25 176.63 3knk s GLU 23 N -5.18 2.24 -1.00 0.00 8.01 -1.13 -5.02 118.70 116.62 3knk s GLU 23 Ca -0.07 -2.04 -0.08 0.00 0.01 0.00 0.00 54.97 52.79 3knk s GLU 23 Cb 0.26 -2.11 -0.09 0.00 -4.31 0.00 0.00 34.13 27.87 3knk s GLU 23 CO 0.82 -0.69 3.05 0.41 0.01 0.00 0.00 175.26 178.86 3knk n GLY 24 N -1.83 4.05 2.86 -1.39 0.00 -1.26 -4.88 105.19 102.74 3knk n GLY 24 Ca -0.01 -1.54 -0.27 0.00 0.00 0.00 0.00 46.02 44.20 3knk n GLY 24 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3knk s LYS 25 N 0.94 1.27 -0.09 1.61 1.02 -0.70 -0.94 119.74 122.85 3knk s LYS 25 Ca 0.66 -0.30 -0.01 0.00 0.02 0.00 0.00 55.97 56.34 3knk s LYS 25 Cb 0.24 -1.67 -0.03 0.00 -0.52 0.00 0.00 37.83 35.85 3knk s LYS 25 CO -0.06 -0.36 -0.05 0.71 -0.92 0.00 0.00 175.35 174.66 3knk s TYR 26 N 1.74 2.98 -0.07 3.18 1.51 -1.16 -3.79 117.35 121.73 3knk s TYR 26 Ca 0.03 -0.05 0.04 0.00 -1.01 0.00 0.00 57.07 56.08 3knk s TYR 26 Cb -0.14 -1.78 0.00 0.00 -0.11 0.00 0.00 41.96 39.93 3knk s TYR 26 CO -0.08 0.25 -0.19 0.95 -1.11 0.00 0.00 175.55 175.38 3knk s THR 27 N -0.52 1.64 0.12 -0.71 -4.23 -1.26 0.57 115.64 111.26 3knk s THR 27 Ca 0.08 -0.80 0.06 0.00 -1.18 0.00 0.00 61.69 59.85 3knk s THR 27 Cb -0.12 -1.43 -0.04 0.00 1.34 0.00 0.00 72.50 72.25 3knk s THR 27 CO 0.02 0.47 -0.15 -0.36 -0.54 0.00 0.00 174.62 174.06 3knk s PHE 28 N 0.31 1.42 -0.30 3.99 0.40 -1.06 0.44 117.98 123.17 3knk s PHE 28 Ca -0.13 -0.53 -0.29 0.00 -0.60 0.00 0.00 56.93 55.38 3knk s PHE 28 Cb -0.15 -0.75 -0.01 0.00 0.51 0.00 0.00 43.02 42.62 3knk s PHE 28 CO 0.05 0.15 1.47 -1.58 0.70 0.00 0.00 175.22 176.01 3knk s TRP 29 N -2.00 2.36 0.15 0.36 0.23 -0.59 -2.85 118.94 116.60 3knk s TRP 29 Ca 0.08 0.70 0.04 0.00 -2.03 0.00 0.00 56.10 54.89 3knk s TRP 29 Cb -0.06 -4.04 -0.04 0.00 0.03 0.00 0.00 33.47 29.36 3knk s TRP 29 CO 0.03 -2.26 0.18 0.14 0.96 0.00 0.00 176.95 176.00 3knk s VAL 30 N 5.09 4.79 0.25 4.03 -7.23 0.10 -1.85 120.40 125.57 3knk s VAL 30 Ca 0.64 -0.90 -0.31 0.00 -1.81 0.00 0.00 61.98 59.60 3knk s VAL 30 Cb -0.19 -3.44 -0.12 0.00 0.56 0.00 0.00 36.38 33.20 3knk s VAL 30 CO 0.28 -0.07 1.65 -2.28 -0.31 0.00 0.00 175.10 174.37 3knk s HIS 31 N -1.70 2.84 0.31 2.82 2.46 -0.25 -3.61 115.29 118.15 3knk s HIS 31 Ca 0.32 0.58 0.05 0.00 0.47 0.00 0.00 55.06 56.49 3knk s HIS 31 Cb -0.11 -4.09 0.82 0.00 -0.13 0.00 0.00 32.58 29.07 3knk s HIS 31 CO 0.25 -3.90 1.63 -1.00 -2.47 0.00 0.00 174.74 169.25 3knk h PRO 32 N 5.79 0.15 -0.64 2.88 0.13 -1.92 -2.71 132.00 135.69 3knk h PRO 32 Ca -0.45 -0.01 0.00 0.00 -0.87 0.00 0.00 66.00 64.67 3knk h PRO 32 Cb 1.21 -0.03 0.00 0.00 0.13 0.00 0.00 31.00 32.31 3knk h PRO 32 CO 0.87 0.10 0.00 1.63 -0.23 0.00 0.00 178.00 180.37 3knk n LYS 33 N -5.27 3.95 -3.47 0.86 4.76 -1.26 -4.85 118.16 112.88 3knk n LYS 33 Ca 0.24 -2.65 -0.37 0.00 -2.87 0.00 0.00 58.31 52.67 3knk n LYS 33 Cb 0.79 -2.01 -0.07 0.00 -1.84 0.00 0.00 35.03 31.90 3knk n LYS 33 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 3knk s ALA 34 N -2.19 3.56 0.64 7.82 0.00 -1.02 -5.07 121.76 125.49 3knk s ALA 34 Ca 0.47 -0.46 -0.18 0.00 0.00 0.00 0.00 51.96 51.79 3knk s ALA 34 Cb 0.33 -2.50 -0.04 0.00 0.00 0.00 0.00 23.12 20.92 3knk s ALA 34 CO 0.18 -0.05 0.93 2.41 0.00 0.00 0.00 175.76 179.23 3knk n THR 35 N 3.85 3.50 0.25 0.00 -1.04 -1.26 -4.74 114.28 114.84 3knk n THR 35 Ca -0.10 -0.47 -0.16 0.00 -2.04 0.00 0.00 64.05 61.28 3knk n THR 35 Cb 0.52 -1.10 -0.08 0.00 -1.82 0.00 0.00 70.33 67.84 3knk n THR 35 CO 0.00 0.00 0.00 0.11 -0.64 0.00 0.00 175.07 174.54 3knk h LYS 36 N 0.25 -0.60 -0.09 -2.82 1.57 -1.97 0.50 116.57 113.40 3knk h LYS 36 Ca -0.48 0.04 0.02 0.00 -1.87 0.00 0.00 60.65 58.36 3knk h LYS 36 Cb 1.36 0.14 -0.05 0.00 0.08 0.00 0.00 32.23 33.76 3knk h LYS 36 CO 0.49 -0.40 -0.38 1.15 -0.57 0.00 0.00 179.45 179.74 3knk h THR 37 N -0.62 0.00 -0.42 -0.16 2.02 -1.98 0.62 112.91 112.37 3knk h THR 37 Ca -0.05 0.00 0.08 0.00 0.77 0.00 0.00 66.41 67.21 3knk h THR 37 Cb 0.50 0.00 -0.09 0.00 -1.74 0.00 0.00 68.15 66.82 3knk h THR 37 CO 0.07 0.00 -0.31 -0.08 0.37 0.00 0.00 175.52 175.57 3knk h GLU 38 N -0.41 -0.22 -0.01 6.66 4.81 -1.90 -2.67 114.58 120.84 3knk h GLU 38 Ca 0.02 0.02 0.00 0.00 -0.13 0.00 0.00 59.36 59.27 3knk h GLU 38 Cb 0.48 0.05 -0.00 0.00 0.63 0.00 0.00 28.75 29.91 3knk h GLU 38 CO -0.31 -0.15 -0.01 0.82 -0.73 0.00 0.00 179.01 178.64 3knk h ILE 39 N -0.23 0.00 0.00 2.32 1.08 0.62 -3.05 117.51 118.25 3knk h ILE 39 Ca 0.18 0.00 0.00 0.00 -0.39 0.00 0.00 64.86 64.65 3knk h ILE 39 Cb 0.53 0.00 0.00 0.00 -3.07 0.00 0.00 36.82 34.28 3knk h ILE 39 CO -0.55 0.00 0.00 1.17 -0.69 0.00 0.00 178.15 178.08 3knk n LYS 40 N -2.86 0.00 -0.31 2.37 4.81 0.15 0.62 118.16 122.95 3knk n LYS 40 Ca -0.00 0.10 -0.05 0.00 -0.87 0.00 0.00 58.31 57.49 3knk n LYS 40 Cb 0.00 -0.17 -0.03 0.00 0.02 0.00 0.00 35.03 34.86 3knk n LYS 40 CO 0.00 0.00 0.00 0.09 1.17 0.00 0.00 177.40 178.66 3knk n ASN 41 N -0.99 -0.66 -0.18 3.14 5.03 -1.16 -0.53 115.26 119.91 3knk n ASN 41 Ca 0.00 1.34 -0.09 0.00 0.87 0.00 0.00 54.58 56.70 3knk n ASN 41 Cb 0.00 -0.24 -0.07 0.00 -1.02 0.00 0.00 39.78 38.45 3knk n ASN 41 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 3knk h ALA 42 N 0.69 -0.55 -0.85 5.41 0.00 0.25 -0.76 119.26 123.46 3knk h ALA 42 Ca 0.19 0.03 0.08 0.00 0.00 0.00 0.00 54.91 55.21 3knk h ALA 42 Cb 0.38 1.11 -0.11 0.00 0.00 0.00 0.00 17.79 19.17 3knk h ALA 42 CO -0.73 -0.78 -0.57 0.28 0.00 0.00 0.00 179.25 177.44 3knk h VAL 43 N -0.17 0.00 0.00 0.00 2.07 -0.48 -2.58 116.25 115.09 3knk h VAL 43 Ca 0.08 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.60 3knk h VAL 43 Cb 0.37 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 30.14 3knk h VAL 43 CO -0.52 0.00 0.00 -0.62 0.02 0.00 0.00 177.57 176.45 3knk n GLU 44 N -5.24 0.00 0.00 1.57 1.02 -0.38 -0.99 120.64 116.62 3knk n GLU 44 Ca 0.01 0.06 0.00 0.00 -0.02 0.00 0.00 57.16 57.21 3knk n GLU 44 Cb 0.27 -0.58 0.00 0.00 -0.02 0.00 0.00 31.44 31.12 3knk n GLU 44 CO 0.00 0.00 0.00 0.25 1.18 0.00 0.00 177.13 178.56 3knk n THR 45 N -0.14 0.00 -0.56 2.62 -2.24 -0.69 0.19 114.28 113.46 3knk n THR 45 Ca 0.00 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.78 3knk n THR 45 Cb 0.00 -0.09 0.00 0.00 -2.10 0.00 0.00 70.33 68.14 3knk n THR 45 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3knk n ALA 46 N 0.11 0.00 -0.85 6.98 0.00 -0.91 -4.78 120.51 121.05 3knk n ALA 46 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 3knk n ALA 46 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 3knk n ALA 46 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 3knk n PHE 47 N 0.00 0.00 -3.96 0.00 3.01 0.49 -5.04 117.46 111.96 3knk n PHE 47 Ca 0.00 0.00 -0.42 0.00 1.01 0.00 0.00 57.45 58.04 3knk n PHE 47 Cb 0.11 0.00 0.03 0.00 -0.01 0.00 0.00 39.48 39.61 3knk n PHE 47 CO 0.00 0.00 0.00 1.63 1.01 0.00 0.00 176.76 179.40 3knk n LYS 48 N -0.00 -0.53 -3.31 -1.08 4.01 0.39 -4.98 118.16 112.65 3knk n LYS 48 Ca 0.00 0.20 -0.12 0.00 -0.51 0.00 0.00 58.31 57.88 3knk n LYS 48 Cb 0.21 -2.92 -0.04 0.00 -0.51 0.00 0.00 35.03 31.77 3knk n LYS 48 CO 0.00 0.00 0.00 1.33 -1.11 0.00 0.00 177.40 177.62 3knk n VAL 49 N -4.73 0.00 -4.53 -0.18 0.24 -1.25 -5.04 118.33 102.83 3knk n VAL 49 Ca -0.11 -1.39 -0.23 0.00 -2.04 0.00 0.00 64.34 60.57 3knk n VAL 49 Cb 0.57 0.63 -0.16 0.00 -1.47 0.00 0.00 33.84 33.42 3knk n VAL 49 CO 0.00 0.00 0.00 -0.75 -2.14 0.00 0.00 176.83 173.94 3knk s LYS 50 N -2.81 1.41 0.06 7.34 2.20 -1.26 -4.58 119.74 122.09 3knk s LYS 50 Ca 0.19 -0.38 0.08 0.00 -0.36 0.00 0.00 55.97 55.50 3knk s LYS 50 Cb 0.01 -1.22 -0.03 0.00 -1.51 0.00 0.00 37.83 35.07 3knk s LYS 50 CO 0.14 0.08 -0.20 0.08 -0.36 0.00 0.00 175.35 175.09 3knk s VAL 51 N 0.44 2.64 -0.41 4.02 1.01 -1.26 -0.52 120.40 126.31 3knk s VAL 51 Ca -0.09 -1.31 0.04 0.00 0.00 0.00 0.00 61.98 60.61 3knk s VAL 51 Cb -0.13 -2.12 0.06 0.00 0.00 0.00 0.00 36.38 34.19 3knk s VAL 51 CO 0.02 0.29 0.79 0.52 0.00 0.00 0.00 175.10 176.73 3knk n VAL 52 N 1.44 0.38 -3.47 2.92 0.31 -0.86 -4.84 118.33 114.20 3knk n VAL 52 Ca -0.16 -0.69 0.01 0.00 -0.01 0.00 0.00 64.34 63.49 3knk n VAL 52 Cb 0.52 0.86 -0.05 0.00 -0.91 0.00 0.00 33.84 34.26 3knk n VAL 52 CO 0.00 0.00 0.00 -0.75 -1.32 0.00 0.00 176.83 174.76 3knk s LYS 53 N -0.57 0.24 -0.08 5.55 2.36 -1.18 -5.02 119.74 121.04 3knk s LYS 53 Ca 0.06 0.52 0.01 0.00 -2.55 0.00 0.00 55.97 54.01 3knk s LYS 53 Cb 0.03 0.21 -0.03 0.00 -1.05 0.00 0.00 37.83 37.00 3knk s LYS 53 CO 0.05 -0.07 -0.10 0.08 1.55 0.00 0.00 175.35 176.86 3knk s VAL 54 N 1.87 3.44 -0.23 4.02 1.01 -1.26 -1.14 120.40 128.11 3knk s VAL 54 Ca -0.05 -0.56 -0.01 0.00 0.00 0.00 0.00 61.98 61.36 3knk s VAL 54 Cb -0.04 -2.41 0.07 0.00 0.00 0.00 0.00 36.38 34.00 3knk s VAL 54 CO -0.15 0.58 -0.00 0.20 0.00 0.00 0.00 175.10 175.72 3knk s ASN 55 N -0.51 3.53 0.83 3.32 0.02 0.18 -4.96 114.94 117.34 3knk s ASN 55 Ca 0.07 -1.11 0.00 0.00 -1.02 0.00 0.00 52.86 50.80 3knk s ASN 55 Cb -0.12 -0.93 0.00 0.00 0.02 0.00 0.00 41.25 40.22 3knk s ASN 55 CO 0.02 -0.28 0.00 0.35 0.02 0.00 0.00 177.10 177.20 3knk n THR 56 N 4.83 0.00 0.00 1.60 -2.24 -1.26 -1.25 114.28 115.95 3knk n THR 56 Ca -0.09 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.69 3knk n THR 56 Cb 0.45 -1.87 0.00 0.00 -2.10 0.00 0.00 70.33 66.81 3knk n THR 56 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3knk n LEU 57 N 0.00 0.00 -4.72 3.22 -0.00 -1.17 -4.88 117.00 109.45 3knk n LEU 57 Ca 0.00 0.00 -0.38 0.00 -0.00 0.00 0.00 56.01 55.63 3knk n LEU 57 Cb 0.00 0.00 -0.06 0.00 -0.00 0.00 0.00 43.42 43.36 3knk n LEU 57 CO 0.00 0.00 0.20 -1.00 -0.00 0.00 0.00 177.39 176.59 3knk s HIS 58 N -0.65 3.50 -0.39 1.47 3.76 -1.26 -2.54 115.29 119.18 3knk s HIS 58 Ca 0.00 0.91 -0.04 0.00 -0.15 0.00 0.00 55.06 55.78 3knk s HIS 58 Cb 0.00 -2.59 0.09 0.00 1.11 0.00 0.00 32.58 31.20 3knk s HIS 58 CO 0.00 0.14 0.18 0.08 -0.85 0.00 0.00 174.74 174.29 3knk s VAL 59 N 0.73 3.44 1.08 -0.90 1.01 0.91 -5.01 120.40 121.66 3knk s VAL 59 Ca 0.27 -1.81 -0.20 0.00 0.00 0.00 0.00 61.98 60.24 3knk s VAL 59 Cb -0.15 -3.24 0.06 0.00 0.00 0.00 0.00 36.38 33.05 3knk s VAL 59 CO 0.11 -0.56 -0.24 -1.14 0.00 0.00 0.00 175.10 173.27 3knk n ARG 60 N 4.67 -1.44 -3.64 2.72 0.63 -1.26 -0.88 116.66 117.45 3knk n ARG 60 Ca -0.06 -0.41 -0.37 0.00 -0.92 0.00 0.00 57.85 56.09 3knk n ARG 60 Cb 0.42 -1.53 -0.10 0.00 0.45 0.00 0.00 32.46 31.71 3knk n ARG 60 CO 0.00 0.00 0.00 0.20 -2.51 0.00 0.00 177.63 175.32 3knk s GLY 61 N -1.70 1.98 -0.56 5.14 0.00 -1.24 -4.56 107.32 106.38 3knk s GLY 61 Ca 0.49 -0.92 -0.28 0.00 0.00 0.00 0.00 44.72 44.00 3knk s GLY 61 CO 0.60 0.45 1.28 0.54 0.00 0.00 0.00 173.10 175.98 3knk s LYS 62 N 1.20 3.45 0.04 2.90 1.02 -1.26 -4.51 119.74 122.59 3knk s LYS 62 Ca 0.08 0.37 -0.30 0.00 0.02 0.00 0.00 55.97 56.13 3knk s LYS 62 Cb -0.14 -4.05 -0.07 0.00 -0.52 0.00 0.00 37.83 33.05 3knk s LYS 62 CO 0.06 -1.76 1.58 -1.59 -0.92 0.00 0.00 175.35 172.72 3knk s LYS 63 N 5.13 4.22 0.00 1.68 -2.85 -1.26 -3.67 119.74 123.00 3knk s LYS 63 Ca 0.47 2.22 0.00 0.00 -1.00 0.00 0.00 55.97 57.66 3knk s LYS 63 Cb -0.09 -3.61 0.00 0.00 -2.06 0.00 0.00 37.83 32.07 3knk s LYS 63 CO 0.26 -0.69 0.00 1.63 0.10 0.00 0.00 175.35 176.65 3knk n LYS 64 N 5.61 3.92 -3.65 1.78 5.02 -1.11 -4.98 118.16 124.75 3knk n LYS 64 Ca 0.15 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.44 3knk n LYS 64 Cb 0.42 0.00 -0.06 0.00 -0.02 0.00 0.00 35.03 35.36 3knk n LYS 64 CO 0.00 0.00 0.00 0.50 -0.52 0.00 0.00 177.40 177.38 3knk s ARG 65 N 1.84 0.14 -0.41 1.97 3.52 -1.26 -3.49 118.95 121.26 3knk s ARG 65 Ca 0.00 0.23 -0.09 0.00 -0.13 0.00 0.00 55.73 55.75 3knk s ARG 65 Cb 0.00 0.03 0.08 0.00 -1.56 0.00 0.00 34.95 33.50 3knk s ARG 65 CO 0.00 -0.03 0.24 -1.17 -0.81 0.00 0.00 175.30 173.53 3knk s LEU 66 N 0.98 5.08 0.00 -0.88 0.20 -1.19 -4.92 118.68 117.95 3knk s LEU 66 Ca -0.06 -1.50 0.00 0.00 0.69 0.00 0.00 54.13 53.26 3knk s LEU 66 Cb -0.03 -1.97 0.00 0.00 -0.43 0.00 0.00 46.19 43.76 3knk s LEU 66 CO -0.11 -0.52 0.00 0.61 -0.29 0.00 0.00 176.35 176.04 3knk n GLY 67 N 4.89 1.26 0.00 7.98 0.00 -1.26 -2.33 105.19 115.73 3knk n GLY 67 Ca -0.10 0.37 0.00 0.00 0.00 0.00 0.00 46.02 46.30 3knk n GLY 67 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 3knk n ARG 68 N 0.00 0.91 -2.98 1.61 -4.01 -1.26 -5.00 116.66 105.92 3knk n ARG 68 Ca 0.00 -0.01 -0.44 0.00 -1.04 0.00 0.00 57.85 56.35 3knk n ARG 68 Cb 0.00 -0.17 -0.04 0.00 -3.04 0.00 0.00 32.46 29.21 3knk n ARG 68 CO 0.00 0.00 0.00 0.71 -3.04 0.00 0.00 177.63 175.30 3knk s TYR 69 N -0.13 2.97 -0.26 2.89 1.51 -0.98 -5.03 117.35 118.32 3knk s TYR 69 Ca 0.00 -1.02 -0.22 0.00 -1.01 0.00 0.00 57.07 54.82 3knk s TYR 69 Cb 0.00 -4.18 -0.01 0.00 -0.11 0.00 0.00 41.96 37.66 3knk s TYR 69 CO 0.00 -1.45 0.72 -1.17 -1.11 0.00 0.00 175.55 172.54 3knk s LEU 70 N 2.98 4.07 0.00 -1.29 0.20 -1.26 -3.16 118.68 120.23 3knk s LEU 70 Ca 0.22 0.82 0.00 0.00 0.69 0.00 0.00 54.13 55.85 3knk s LEU 70 Cb -0.15 -3.00 0.00 0.00 -0.43 0.00 0.00 46.19 42.61 3knk s LEU 70 CO 0.02 -0.45 0.00 0.61 -0.29 0.00 0.00 176.35 176.23 3knk n GLY 71 N 4.02 4.90 3.20 7.98 0.00 -1.23 -5.05 105.19 119.01 3knk n GLY 71 Ca 0.02 -1.63 -0.15 0.00 0.00 0.00 0.00 46.02 44.27 3knk n GLY 71 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3knk s LYS 72 N -0.39 0.92 0.05 1.61 3.01 -1.26 -2.76 119.74 120.91 3knk s LYS 72 Ca 0.00 -1.24 -0.06 0.00 -1.01 0.00 0.00 55.97 53.66 3knk s LYS 72 Cb 0.00 -0.60 -0.05 0.00 -1.01 0.00 0.00 37.83 36.17 3knk s LYS 72 CO 0.00 0.09 0.30 1.03 0.51 0.00 0.00 175.35 177.28 3knk s ARG 73 N -3.01 3.59 0.36 1.68 0.52 -1.24 -4.93 118.95 115.92 3knk s ARG 73 Ca 0.09 -0.09 -0.25 0.00 -0.52 0.00 0.00 55.73 54.95 3knk s ARG 73 Cb -0.02 -3.02 -0.13 0.00 0.52 0.00 0.00 34.95 32.30 3knk s ARG 73 CO 0.00 0.60 0.87 -0.35 0.02 0.00 0.00 175.30 176.45 3knk n PRO 74 N 0.82 1.09 -3.42 3.54 -0.04 -1.26 -3.68 135.00 132.06 3knk n PRO 74 Ca -0.09 0.39 -0.38 0.00 -0.04 0.00 0.00 63.50 63.39 3knk n PRO 74 Cb 0.52 -1.79 -0.06 0.00 -0.04 0.00 0.00 33.50 32.13 3knk n PRO 74 CO 0.00 0.00 0.00 0.16 -0.04 0.00 0.00 175.50 175.62 3knk s ASP 75 N -0.74 6.66 0.39 3.54 -4.77 -1.26 -4.13 116.67 116.36 3knk s ASP 75 Ca 0.62 0.79 0.04 0.00 -3.30 0.00 0.00 52.55 50.69 3knk s ASP 75 Cb -0.64 -2.25 -0.04 0.00 -1.09 0.00 0.00 42.92 38.90 3knk s ASP 75 CO 0.58 0.12 0.07 -0.13 0.70 0.00 0.00 175.17 176.51 3knk s ARG 76 N 0.07 1.87 0.04 2.11 3.00 -0.06 -4.94 118.95 121.05 3knk s ARG 76 Ca 0.23 -2.11 0.08 0.00 0.00 0.00 0.00 55.73 53.93 3knk s ARG 76 Cb -0.15 -0.99 -0.03 0.00 0.00 0.00 0.00 34.95 33.78 3knk s ARG 76 CO 0.10 -0.30 -0.21 0.21 0.00 0.00 0.00 175.30 175.10 3knk s LYS 77 N -3.81 1.96 -0.02 3.54 2.20 -1.24 -0.06 119.74 122.30 3knk s LYS 77 Ca 0.27 -1.04 0.01 0.00 -0.36 0.00 0.00 55.97 54.85 3knk s LYS 77 Cb 0.06 -2.11 0.01 0.00 -1.51 0.00 0.00 37.83 34.28 3knk s LYS 77 CO 0.13 0.53 -0.04 -1.59 -0.36 0.00 0.00 175.35 174.02 3knk s LYS 78 N -1.38 0.57 -0.09 4.03 -2.85 -1.05 -0.73 119.74 118.24 3knk s LYS 78 Ca 0.14 -0.11 0.01 0.00 -1.00 0.00 0.00 55.97 55.00 3knk s LYS 78 Cb -0.10 -0.60 0.02 0.00 -2.06 0.00 0.00 37.83 35.09 3knk s LYS 78 CO 0.04 -0.01 -0.10 0.00 0.10 0.00 0.00 175.35 175.39 3knk s ALA 79 N 0.49 1.30 -0.22 0.59 0.00 -1.13 -3.06 121.76 119.72 3knk s ALA 79 Ca -0.06 -0.49 -0.15 0.00 0.00 0.00 0.00 51.96 51.27 3knk s ALA 79 Cb -0.09 -0.75 -0.04 0.00 0.00 0.00 0.00 23.12 22.24 3knk s ALA 79 CO -0.00 -0.17 0.35 -1.50 0.00 0.00 0.00 175.76 174.43 3knk s ILE 80 N 1.22 5.23 -0.30 0.00 -1.16 -0.38 -2.57 121.20 123.23 3knk s ILE 80 Ca -0.04 0.58 -0.01 0.00 -0.51 0.00 0.00 60.65 60.66 3knk s ILE 80 Cb -0.14 -3.68 0.06 0.00 0.61 0.00 0.00 42.46 39.31 3knk s ILE 80 CO -0.03 0.25 0.00 0.68 -2.81 0.00 0.00 174.94 173.04 3knk s VAL 81 N 1.39 2.91 -0.20 4.00 -7.23 0.19 -0.65 120.40 120.82 3knk s VAL 81 Ca 0.16 -1.48 -0.29 0.00 -1.81 0.00 0.00 61.98 58.56 3knk s VAL 81 Cb -0.15 -2.71 0.00 0.00 0.56 0.00 0.00 36.38 34.08 3knk s VAL 81 CO 0.08 -0.15 1.06 -1.58 -0.31 0.00 0.00 175.10 174.19 3knk s GLN 82 N 1.22 4.28 0.36 4.82 0.74 -0.30 -3.00 119.66 127.79 3knk s GLN 82 Ca -0.04 1.40 -0.03 0.00 0.05 0.00 0.00 55.36 56.74 3knk s GLN 82 Cb -0.20 -3.64 -0.04 0.00 1.10 0.00 0.00 33.01 30.24 3knk s GLN 82 CO -0.02 -0.59 0.61 0.14 -0.55 0.00 0.00 175.29 174.89 3knk s VAL 83 N 3.03 5.03 0.35 1.34 -7.23 -0.12 -2.02 120.40 120.78 3knk s VAL 83 Ca 0.46 -0.14 -0.26 0.00 -1.81 0.00 0.00 61.98 60.23 3knk s VAL 83 Cb -0.16 -3.82 -0.13 0.00 0.56 0.00 0.00 36.38 32.83 3knk s VAL 83 CO 0.09 -0.56 0.95 0.00 -0.31 0.00 0.00 175.10 175.27 3knk n ALA 84 N -1.64 -0.27 -0.48 1.32 0.00 0.32 -4.75 120.51 115.01 3knk n ALA 84 Ca -0.03 0.31 -0.19 0.00 0.00 0.00 0.00 53.44 53.54 3knk n ALA 84 Cb 0.55 -2.01 -0.03 0.00 0.00 0.00 0.00 19.45 17.97 3knk n ALA 84 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 3knk n PRO 85 N 0.52 0.00 -1.18 0.00 -0.04 -1.26 -1.94 135.00 131.10 3knk n PRO 85 Ca 0.10 0.00 -0.06 0.00 -0.04 0.00 0.00 63.50 63.49 3knk n PRO 85 Cb 0.35 -0.41 -0.03 0.00 -0.04 0.00 0.00 33.50 33.37 3knk n PRO 85 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3knk n GLY 86 N 1.06 0.74 3.92 0.55 0.00 -1.26 -5.01 105.19 105.19 3knk n GLY 86 Ca 0.08 -0.15 -0.27 0.00 0.00 0.00 0.00 46.02 45.68 3knk n GLY 86 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 3knk s GLN 87 N -2.19 3.55 0.11 1.61 0.74 -0.82 -5.11 119.66 117.55 3knk s GLN 87 Ca 0.00 -0.24 -0.10 0.00 0.05 0.00 0.00 55.36 55.07 3knk s GLN 87 Cb 0.00 -2.76 0.00 0.00 1.10 0.00 0.00 33.01 31.35 3knk s GLN 87 CO 0.00 0.32 0.25 -1.59 -0.55 0.00 0.00 175.29 173.72 3knk s LYS 88 N -3.49 0.96 -0.66 1.67 -2.85 -1.26 -4.93 119.74 109.18 3knk s LYS 88 Ca 0.40 -0.96 -0.01 0.00 -1.00 0.00 0.00 55.97 54.40 3knk s LYS 88 Cb -0.11 0.37 0.17 0.00 -2.06 0.00 0.00 37.83 36.21 3knk s LYS 88 CO 0.30 -0.33 0.48 0.42 0.10 0.00 0.00 175.35 176.31 3knk s ILE 89 N -3.87 3.63 0.59 3.79 1.01 -1.26 -4.94 121.20 120.14 3knk s ILE 89 Ca 0.07 -3.25 0.34 0.00 0.00 0.00 0.00 60.65 57.81 3knk s ILE 89 Cb 0.04 -3.36 0.50 0.00 0.01 0.00 0.00 42.46 39.65 3knk s ILE 89 CO -0.09 -0.91 1.53 -0.33 0.00 0.00 0.00 174.94 175.14 3knk h GLU 90 N 6.68 0.00 0.00 2.79 4.39 -1.95 -2.82 114.58 123.66 3knk h GLU 90 Ca 0.02 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.72 3knk h GLU 90 Cb 0.91 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.56 3knk h GLU 90 CO 0.73 0.00 0.00 0.00 -1.16 0.00 0.00 179.01 178.58 3knk n ALA 91 N -2.49 0.00 -0.33 3.43 0.00 -1.26 -3.52 120.51 116.33 3knk n ALA 91 Ca 0.26 0.00 0.15 0.00 0.00 0.00 0.00 53.44 53.85 3knk n ALA 91 Cb 1.48 0.00 0.30 0.00 0.00 0.00 0.00 19.45 21.24 3knk n ALA 91 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 3knk h LEU 92 N 0.00 -0.38 -4.54 0.00 3.38 -1.96 -3.07 115.31 108.74 3knk h LEU 92 Ca 0.00 0.26 0.00 0.00 0.09 0.00 0.00 57.88 58.23 3knk h LEU 92 Cb 0.00 0.44 0.00 0.00 0.09 0.00 0.00 40.66 41.19 3knk h LEU 92 CO 0.00 -0.33 0.03 -0.62 0.09 0.00 0.00 178.44 177.61 3knk n GLU 93 N -5.44 0.00 0.06 1.13 -0.58 -1.09 -1.93 120.64 112.78 3knk n GLU 93 Ca 0.23 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.97 3knk n GLU 93 Cb 0.76 -1.06 0.00 0.00 -0.57 0.00 0.00 31.44 30.57 3knk n GLU 93 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3knk n GLY 94 N 1.64 -0.23 0.00 0.62 0.00 -1.16 -4.98 105.19 101.08 3knk n GLY 94 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 3knk n GLY 94 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22