#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3knk n VAL 3 N 0.00 0.00 -0.31 1.55 0.31 -1.26 -4.88 118.33 113.74 3knk n VAL 3 Ca 0.00 0.00 -0.01 0.00 -0.01 0.00 0.00 64.34 64.32 3knk n VAL 3 Cb 0.00 0.00 0.03 0.00 -0.91 0.00 0.00 33.84 32.96 3knk n VAL 3 CO 0.00 0.00 0.00 2.29 -1.32 0.00 0.00 176.83 177.80 3knk n LYS 4 N 0.00 -0.19 0.00 5.55 2.85 -1.26 -4.72 118.16 120.39 3knk n LYS 4 Ca 0.00 1.26 0.00 0.00 -1.05 0.00 0.00 58.31 58.52 3knk n LYS 4 Cb 0.00 -1.86 0.00 0.00 -0.65 0.00 0.00 35.03 32.52 3knk n LYS 4 CO 0.00 0.00 0.00 -1.33 -0.05 0.00 0.00 177.40 176.02 3knk n MET 5 N -5.20 0.00 -3.08 -1.58 2.81 -1.26 -5.01 117.12 103.79 3knk n MET 5 Ca 0.08 0.00 0.01 0.00 -1.81 0.00 0.00 57.70 55.99 3knk n MET 5 Cb 0.33 0.00 0.01 0.00 -0.71 0.00 0.00 33.22 32.84 3knk n MET 5 CO 0.00 0.00 0.00 -2.39 1.51 0.00 0.00 175.97 175.09 3knk n HIS 6 N 0.00 -0.33 -0.08 2.03 1.44 -1.26 -5.14 115.22 111.88 3knk n HIS 6 Ca 0.00 -0.44 -0.08 0.00 -2.01 0.00 0.00 57.72 55.20 3knk n HIS 6 Cb 0.00 0.20 -0.06 0.00 0.12 0.00 0.00 29.99 30.25 3knk n HIS 6 CO 0.00 0.00 0.00 -0.39 -2.81 0.00 0.00 176.34 173.14 3knk h VAL 7 N 1.58 0.00 -1.09 0.61 -1.51 -1.97 -3.47 116.25 110.40 3knk h VAL 7 Ca -0.13 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 65.34 3knk h VAL 7 Cb 0.69 0.00 0.00 0.00 -2.13 0.00 0.00 31.29 29.85 3knk h VAL 7 CO 0.18 0.00 0.00 0.29 -1.23 0.00 0.00 177.57 176.81 3knk n LYS 8 N -4.21 1.04 -3.79 5.19 4.01 -1.26 -5.03 118.16 114.11 3knk n LYS 8 Ca -0.02 0.00 0.00 0.00 -0.51 0.00 0.00 58.31 57.78 3knk n LYS 8 Cb 0.19 0.00 0.00 0.00 -0.51 0.00 0.00 35.03 34.71 3knk n LYS 8 CO 0.00 0.00 0.00 0.36 -1.11 0.00 0.00 177.40 176.65 3knk n LYS 9 N -0.03 -2.55 0.00 1.97 2.85 -1.26 -4.95 118.16 114.19 3knk n LYS 9 Ca 0.00 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.26 3knk n LYS 9 Cb 0.00 0.00 0.00 0.00 -0.65 0.00 0.00 35.03 34.38 3knk n LYS 9 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 3knk n GLY 10 N -0.30 0.00 0.00 2.58 0.00 -1.26 -4.60 105.19 101.61 3knk n GLY 10 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 3knk n GLY 10 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3knk n ASP 11 N 0.88 0.00 -3.70 1.61 5.68 -1.26 -4.56 116.55 115.20 3knk n ASP 11 Ca 0.00 0.00 -0.29 0.00 -0.50 0.00 0.00 54.79 54.00 3knk n ASP 11 Cb 0.00 0.00 -0.16 0.00 -1.14 0.00 0.00 41.12 39.82 3knk n ASP 11 CO 0.00 0.00 0.00 -0.89 -1.33 0.00 0.00 177.20 174.98 3knk s THR 12 N 1.51 0.51 0.25 2.12 2.01 -1.26 -2.69 115.64 118.09 3knk s THR 12 Ca 0.00 -0.86 0.01 0.00 0.31 0.00 0.00 61.69 61.15 3knk s THR 12 Cb 0.00 -1.22 0.01 0.00 0.01 0.00 0.00 72.50 71.30 3knk s THR 12 CO 0.00 -0.46 0.08 1.33 -0.69 0.00 0.00 174.62 174.88 3knk n VAL 13 N 5.03 0.00 -4.06 3.82 0.24 -1.17 -2.94 118.33 119.25 3knk n VAL 13 Ca -0.06 -1.11 -0.11 0.00 -2.04 0.00 0.00 64.34 61.02 3knk n VAL 13 Cb 0.45 0.02 -0.11 0.00 -1.47 0.00 0.00 33.84 32.73 3knk n VAL 13 CO 0.00 0.00 0.00 -0.22 -2.14 0.00 0.00 176.83 174.47 3knk s LEU 14 N 0.00 2.31 0.45 1.34 2.96 0.11 -3.53 118.68 122.33 3knk s LEU 14 Ca 0.06 -0.65 0.04 0.00 -0.22 0.00 0.00 54.13 53.36 3knk s LEU 14 Cb -0.00 -0.03 0.01 0.00 0.50 0.00 0.00 46.19 46.67 3knk s LEU 14 CO 0.04 -0.32 0.64 -0.69 -1.32 0.00 0.00 176.35 174.70 3knk s VAL 15 N -2.02 3.24 -0.09 1.68 1.01 -1.13 0.81 120.40 123.90 3knk s VAL 15 Ca -0.07 -0.80 0.04 0.00 0.00 0.00 0.00 61.98 61.14 3knk s VAL 15 Cb -0.06 -3.15 0.11 0.00 0.00 0.00 0.00 36.38 33.29 3knk s VAL 15 CO -0.02 -0.08 0.99 0.00 0.00 0.00 0.00 175.10 175.99 3knk n ALA 16 N -2.02 2.45 -1.31 5.51 0.00 -0.38 -3.90 120.51 120.87 3knk n ALA 16 Ca 0.05 -0.64 0.00 0.00 0.00 0.00 0.00 53.44 52.86 3knk n ALA 16 Cb 0.59 -0.47 0.00 0.00 0.00 0.00 0.00 19.45 19.57 3knk n ALA 16 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 3knk n SER 17 N -0.43 0.00 0.00 0.00 2.88 -1.19 -4.88 113.62 110.00 3knk n SER 17 Ca -0.20 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.34 3knk n SER 17 Cb 0.68 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 64.14 3knk n SER 17 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 3knk n GLY 18 N 5.00 1.92 0.00 0.46 0.00 -1.26 -4.63 105.19 106.68 3knk n GLY 18 Ca 0.00 -0.11 0.00 0.00 0.00 0.00 0.00 46.02 45.91 3knk n GLY 18 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 3knk n LYS 19 N 0.00 0.00 -0.26 1.61 4.81 -1.26 -0.11 118.16 122.95 3knk n LYS 19 Ca 0.00 0.00 0.01 0.00 -0.87 0.00 0.00 58.31 57.45 3knk n LYS 19 Cb 0.00 -1.01 0.01 0.00 0.02 0.00 0.00 35.03 34.05 3knk n LYS 19 CO 0.00 0.00 0.00 0.66 1.17 0.00 0.00 177.40 179.23 3knk n TYR 20 N -0.49 0.00 -2.14 5.64 4.02 -1.26 -5.03 117.16 117.91 3knk n TYR 20 Ca 0.00 -0.09 -0.41 0.00 -0.01 0.00 0.00 57.90 57.39 3knk n TYR 20 Cb 0.00 -0.04 -0.03 0.00 -0.02 0.00 0.00 39.34 39.26 3knk n TYR 20 CO 0.00 0.00 0.00 0.21 -1.01 0.00 0.00 176.86 176.06 3knk s LYS 21 N -0.25 4.35 0.00 -0.72 2.47 0.85 -3.21 119.74 123.24 3knk s LYS 21 Ca 0.02 2.16 0.00 0.00 -1.56 0.00 0.00 55.97 56.59 3knk s LYS 21 Cb 0.02 -3.14 0.00 0.00 -1.46 0.00 0.00 37.83 33.25 3knk s LYS 21 CO 0.00 -0.27 0.00 0.41 0.16 0.00 0.00 175.35 175.65 3knk n GLY 22 N 1.92 3.04 3.75 5.54 0.00 -1.25 -4.95 105.19 113.23 3knk n GLY 22 Ca 0.05 -0.58 -0.32 0.00 0.00 0.00 0.00 46.02 45.16 3knk n GLY 22 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3knk s ARG 23 N 0.00 2.25 -0.06 1.61 0.52 -1.20 -4.78 118.95 117.30 3knk s ARG 23 Ca 0.00 1.40 0.01 0.00 -0.52 0.00 0.00 55.73 56.62 3knk s ARG 23 Cb 0.00 -1.88 0.02 0.00 0.52 0.00 0.00 34.95 33.61 3knk s ARG 23 CO 0.00 -1.68 -0.08 0.08 0.02 0.00 0.00 175.30 173.64 3knk s VAL 24 N -2.52 0.85 0.33 3.52 1.01 -1.26 -2.84 120.40 119.50 3knk s VAL 24 Ca 0.66 -0.30 0.03 0.00 0.00 0.00 0.00 61.98 62.37 3knk s VAL 24 Cb -0.21 -0.82 -0.05 0.00 0.00 0.00 0.00 36.38 35.30 3knk s VAL 24 CO 0.49 0.30 0.11 -0.83 0.00 0.00 0.00 175.10 175.17 3knk s GLY 25 N 0.86 2.13 0.00 4.51 0.00 -1.23 -4.99 107.32 108.60 3knk s GLY 25 Ca -0.12 -1.74 0.00 0.00 0.00 0.00 0.00 44.72 42.87 3knk s GLY 25 CO 0.01 -1.72 0.00 1.17 0.00 0.00 0.00 173.10 172.56 3knk n LYS 26 N -0.67 0.00 -0.40 2.90 4.81 -1.26 -3.05 118.16 120.49 3knk n LYS 26 Ca -0.02 0.00 -0.24 0.00 -0.87 0.00 0.00 58.31 57.18 3knk n LYS 26 Cb 0.66 0.00 0.22 0.00 0.02 0.00 0.00 35.03 35.92 3knk n LYS 26 CO 0.00 0.00 0.00 0.28 1.17 0.00 0.00 177.40 178.85 3knk n VAL 27 N 0.00 0.00 -1.90 3.15 0.31 -1.10 -4.12 118.33 114.68 3knk n VAL 27 Ca 0.00 -0.06 0.00 0.00 -0.01 0.00 0.00 64.34 64.27 3knk n VAL 27 Cb 0.00 -0.73 0.00 0.00 -0.91 0.00 0.00 33.84 32.20 3knk n VAL 27 CO 0.00 0.00 0.00 2.29 -1.32 0.00 0.00 176.83 177.80 3knk n LYS 28 N -3.67 0.00 -4.02 5.55 0.00 -1.26 -2.72 118.16 112.03 3knk n LYS 28 Ca 0.09 0.00 -0.41 0.00 -0.00 0.00 0.00 58.31 57.99 3knk n LYS 28 Cb 0.47 0.00 0.02 0.00 -0.00 0.00 0.00 35.03 35.52 3knk n LYS 28 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.40 177.79 3knk n GLU 29 N 0.00 -0.40 -0.72 -1.58 4.71 -1.26 -0.92 120.64 120.48 3knk n GLU 29 Ca 0.00 0.08 -0.23 0.00 -0.01 0.00 0.00 57.16 56.99 3knk n GLU 29 Cb 0.47 -2.10 0.01 0.00 -1.01 0.00 0.00 31.44 28.81 3knk n GLU 29 CO 0.00 0.00 0.00 0.28 0.09 0.00 0.00 177.13 177.50 3knk n VAL 30 N -4.46 0.00 0.00 2.62 0.31 -1.26 -4.82 118.33 110.73 3knk n VAL 30 Ca -0.12 -0.31 0.00 0.00 -0.01 0.00 0.00 64.34 63.90 3knk n VAL 30 Cb 0.52 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.45 3knk n VAL 30 CO 0.00 0.00 0.00 0.18 -1.32 0.00 0.00 176.83 175.69 3knk n LEU 31 N 1.72 1.84 -0.08 7.52 7.99 -0.89 -5.01 117.00 130.09 3knk n LEU 31 Ca 0.03 0.00 0.08 0.00 -0.01 0.00 0.00 56.01 56.11 3knk n LEU 31 Cb 0.30 0.00 0.12 0.00 -0.11 0.00 0.00 43.42 43.73 3knk n LEU 31 CO 0.33 0.00 0.55 -0.81 -1.51 0.00 0.00 177.39 175.95 3knk n PRO 32 N -0.83 1.45 -0.23 3.23 -0.04 -1.26 -4.91 135.00 132.40 3knk n PRO 32 Ca 0.00 -2.37 0.16 0.00 -0.04 0.00 0.00 63.50 61.25 3knk n PRO 32 Cb 0.00 -1.39 0.47 0.00 -0.04 0.00 0.00 33.50 32.54 3knk n PRO 32 CO 0.00 0.00 0.00 0.87 -0.04 0.00 0.00 175.50 176.33 3knk h LYS 33 N 0.00 0.47 -0.02 0.54 1.57 -1.96 1.21 116.57 118.38 3knk h LYS 33 Ca 0.00 -0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.75 3knk h LYS 33 Cb 0.95 -0.11 0.00 0.00 0.08 0.00 0.00 32.23 33.15 3knk h LYS 33 CO 0.00 0.31 -0.41 1.17 -0.57 0.00 0.00 179.45 179.95 3knk n LYS 34 N -4.52 1.39 -3.00 3.15 4.81 -1.26 -5.02 118.16 113.71 3knk n LYS 34 Ca 0.18 -1.01 -0.04 0.00 -0.87 0.00 0.00 58.31 56.56 3knk n LYS 34 Cb 0.59 -1.42 0.02 0.00 0.02 0.00 0.00 35.03 34.24 3knk n LYS 34 CO 0.00 0.00 0.00 0.98 1.17 0.00 0.00 177.40 179.55 3knk n TYR 35 N 0.04 -2.63 -3.95 5.64 9.36 0.41 -5.05 117.16 120.99 3knk n TYR 35 Ca 0.09 0.98 -0.09 0.00 3.32 0.00 0.00 57.90 62.20 3knk n TYR 35 Cb 0.44 -3.95 -0.05 0.00 -0.63 0.00 0.00 39.34 35.15 3knk n TYR 35 CO 0.00 0.00 0.00 0.00 0.22 0.00 0.00 176.86 177.08 3knk s ALA 36 N -3.11 -0.31 0.00 2.98 0.00 -1.26 -4.07 121.76 115.99 3knk s ALA 36 Ca 0.13 -0.77 0.00 0.00 0.00 0.00 0.00 51.96 51.31 3knk s ALA 36 Cb -0.02 1.00 0.00 0.00 0.00 0.00 0.00 23.12 24.10 3knk s ALA 36 CO 0.69 -0.81 0.00 1.33 0.00 0.00 0.00 175.76 176.97 3knk n VAL 37 N -0.35 0.00 0.00 0.00 0.24 -0.52 -2.10 118.33 115.61 3knk n VAL 37 Ca -0.04 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.26 3knk n VAL 37 Cb 0.62 -0.21 0.00 0.00 -1.47 0.00 0.00 33.84 32.78 3knk n VAL 37 CO 0.00 0.00 0.00 -0.38 -2.14 0.00 0.00 176.83 174.31 3knk n ILE 38 N 0.00 0.00 0.00 1.34 2.08 -0.09 -4.53 119.36 118.15 3knk n ILE 38 Ca 0.00 0.00 0.00 0.00 0.56 0.00 0.00 62.75 63.31 3knk n ILE 38 Cb 0.00 -0.21 0.00 0.00 -0.75 0.00 0.00 39.64 38.68 3knk n ILE 38 CO 0.00 0.00 0.00 0.52 0.56 0.00 0.00 176.55 177.63 3knk n VAL 39 N -2.41 0.00 -0.96 1.39 0.31 -1.10 -4.01 118.33 111.55 3knk n VAL 39 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.33 3knk n VAL 39 Cb 0.00 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 32.93 3knk n VAL 39 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 3knk n GLU 40 N 14.00 0.00 0.00 5.55 -0.58 -1.26 -4.70 120.64 133.65 3knk n GLU 40 Ca 0.00 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.74 3knk n GLU 40 Cb 0.00 -0.08 0.00 0.00 -0.57 0.00 0.00 31.44 30.79 3knk n GLU 40 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3knk n GLY 41 N 0.00 -1.57 3.77 0.62 0.00 -1.26 -4.80 105.19 101.96 3knk n GLY 41 Ca 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.62 3knk n GLY 41 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3knk s VAL 42 N 0.00 2.02 0.00 1.61 1.01 -1.26 -4.87 120.40 118.91 3knk s VAL 42 Ca 0.00 0.02 0.00 0.00 0.00 0.00 0.00 61.98 62.00 3knk s VAL 42 Cb 0.00 -3.01 0.00 0.00 0.00 0.00 0.00 36.38 33.37 3knk s VAL 42 CO 0.00 0.00 0.08 0.59 0.00 0.00 0.00 175.10 175.77 3knk n ASN 43 N -0.10 0.00 0.00 3.32 4.13 -1.26 0.15 115.26 121.50 3knk n ASN 43 Ca 0.04 -1.00 0.00 0.00 1.68 0.00 0.00 54.58 55.30 3knk n ASN 43 Cb 0.41 0.00 0.00 0.00 -1.54 0.00 0.00 39.78 38.65 3knk n ASN 43 CO 0.00 0.00 0.00 -0.38 0.28 0.00 0.00 177.26 177.16 3knk n ILE 44 N 0.00 0.00 -1.40 2.41 5.41 -1.26 -4.15 119.36 120.37 3knk n ILE 44 Ca 0.00 0.00 -0.31 0.00 1.00 0.00 0.00 62.75 63.44 3knk n ILE 44 Cb 0.34 0.00 0.07 0.00 -0.71 0.00 0.00 39.64 39.34 3knk n ILE 44 CO 0.00 0.00 0.00 -0.69 0.00 0.00 0.00 176.55 175.86 3knk s VAL 45 N 0.00 3.65 0.00 1.39 1.01 -1.26 -4.58 120.40 120.60 3knk s VAL 45 Ca 0.00 0.53 0.00 0.00 0.00 0.00 0.00 61.98 62.51 3knk s VAL 45 Cb 0.00 -3.14 0.00 0.00 0.00 0.00 0.00 36.38 33.24 3knk s VAL 45 CO 0.00 -0.70 0.00 0.29 0.00 0.00 0.00 175.10 174.69 3knk n LYS 46 N -3.35 0.00 0.00 2.72 5.02 -1.26 -5.06 118.16 116.24 3knk n LYS 46 Ca 0.08 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.37 3knk n LYS 46 Cb 0.53 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.54 3knk n LYS 46 CO 0.00 0.00 0.00 0.36 -0.52 0.00 0.00 177.40 177.24 3knk n LYS 47 N 0.00 0.00 -1.62 1.97 -0.00 -1.26 -5.05 118.16 112.20 3knk n LYS 47 Ca 0.00 0.00 -0.63 0.00 -0.00 0.00 0.00 58.31 57.68 3knk n LYS 47 Cb 0.00 0.00 -0.09 0.00 -0.00 0.00 0.00 35.03 34.94 3knk n LYS 47 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 3knk n ALA 48 N 0.00 -1.60 -0.34 0.58 0.00 -1.26 -4.88 120.51 113.00 3knk n ALA 48 Ca 0.00 0.49 0.07 0.00 0.00 0.00 0.00 53.44 54.00 3knk n ALA 48 Cb 0.00 -1.79 0.22 0.00 0.00 0.00 0.00 19.45 17.87 3knk n ALA 48 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 3knk n VAL 49 N 3.43 1.22 0.00 0.00 0.31 -1.26 -3.41 118.33 118.62 3knk n VAL 49 Ca 0.28 -1.11 0.00 0.00 -0.01 0.00 0.00 64.34 63.49 3knk n VAL 49 Cb -0.04 0.38 0.00 0.00 -0.91 0.00 0.00 33.84 33.28 3knk n VAL 49 CO 0.00 0.00 0.00 0.54 -1.32 0.00 0.00 176.83 176.05 3knk n ARG 50 N 0.68 0.00 -0.36 5.55 1.74 -1.26 -4.04 116.66 118.96 3knk n ARG 50 Ca 0.16 0.00 0.07 0.00 -0.77 0.00 0.00 57.85 57.32 3knk n ARG 50 Cb 0.56 0.00 0.24 0.00 -1.02 0.00 0.00 32.46 32.24 3knk n ARG 50 CO 0.00 0.00 0.00 0.28 -1.52 0.00 0.00 177.63 176.39 3knk h VAL 51 N 0.00 0.92 -0.57 1.55 2.07 -1.97 -3.38 116.25 114.87 3knk h VAL 51 Ca 0.00 -0.34 0.09 0.00 0.82 0.00 0.00 66.70 67.27 3knk h VAL 51 Cb 0.00 -0.16 -0.19 0.00 -1.52 0.00 0.00 31.29 29.42 3knk h VAL 51 CO 0.00 0.18 -0.22 -0.94 0.02 0.00 0.00 177.57 176.61 3knk s SER 52 N -5.70 -0.91 0.00 0.57 1.04 -1.26 -5.06 113.70 102.39 3knk s SER 52 Ca -0.12 -0.19 0.00 0.00 0.48 0.00 0.00 55.95 56.12 3knk s SER 52 Cb 0.22 1.34 0.00 0.00 0.10 0.00 0.00 66.02 67.69 3knk s SER 52 CO 0.81 -0.13 0.00 -2.65 0.98 0.00 0.00 173.24 172.25 3knk n PRO 53 N 4.59 0.00 -1.86 4.02 -0.02 -1.26 -4.76 135.00 135.72 3knk n PRO 53 Ca 0.08 0.00 -0.42 0.00 -2.02 0.00 0.00 63.50 61.13 3knk n PRO 53 Cb 0.58 -0.06 -0.03 0.00 -0.02 0.00 0.00 33.50 33.98 3knk n PRO 53 CO 0.00 0.00 0.00 0.21 1.98 0.00 0.00 175.50 177.69 3knk s LYS 54 N 0.00 4.03 -0.03 -0.52 2.20 -1.26 -3.01 119.74 121.15 3knk s LYS 54 Ca 0.00 2.27 -0.03 0.00 -0.36 0.00 0.00 55.97 57.86 3knk s LYS 54 Cb 0.00 -4.09 0.01 0.00 -1.51 0.00 0.00 37.83 32.24 3knk s LYS 54 CO 0.00 -1.04 0.06 2.48 -0.36 0.00 0.00 175.35 176.48 3knk n TYR 55 N 7.82 -3.47 0.00 4.03 0.18 -1.26 -4.94 117.16 119.52 3knk n TYR 55 Ca 0.19 2.05 0.00 0.00 1.88 0.00 0.00 57.90 62.02 3knk n TYR 55 Cb 0.43 -3.33 0.00 0.00 -0.38 0.00 0.00 39.34 36.05 3knk n TYR 55 CO 0.00 0.00 0.00 -2.30 -2.08 0.00 0.00 176.86 172.48 3knk n PRO 56 N 1.31 0.00 0.00 -3.48 -0.02 -1.16 -4.75 135.00 126.90 3knk n PRO 56 Ca -0.10 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.38 3knk n PRO 56 Cb 0.15 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 33.63 3knk n PRO 56 CO 0.00 0.00 0.00 1.04 1.98 0.00 0.00 175.50 178.52 3knk n GLN 57 N 0.00 1.23 0.00 -0.52 6.02 -1.26 -4.41 117.38 118.45 3knk n GLN 57 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.99 3knk n GLN 57 Cb 0.00 0.00 0.00 0.00 1.02 0.00 0.00 30.24 31.26 3knk n GLN 57 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3knk n GLY 58 N 2.84 1.00 0.00 1.08 0.00 -1.22 -4.56 105.19 104.33 3knk n GLY 58 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 3knk n GLY 58 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3knk n GLY 59 N 0.00 2.50 0.06 -0.02 0.00 -1.24 -4.83 105.19 101.66 3knk n GLY 59 Ca 0.00 -1.44 0.02 0.00 0.00 0.00 0.00 46.02 44.60 3knk n GLY 59 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 3knk n PHE 60 N 1.77 0.00 -0.08 1.61 0.99 -1.26 -4.43 117.46 116.06 3knk n PHE 60 Ca 0.00 -0.45 -0.22 0.00 -0.00 0.00 0.00 57.45 56.79 3knk n PHE 60 Cb 0.00 -0.06 -0.12 0.00 -1.00 0.00 0.00 39.48 38.30 3knk n PHE 60 CO 0.00 0.00 0.00 0.82 -0.00 0.00 0.00 176.76 177.58 3knk h ILE 61 N 1.31 0.86 0.00 4.37 1.08 -1.97 -3.42 117.51 119.73 3knk h ILE 61 Ca 0.00 -2.22 0.00 0.00 -0.39 0.00 0.00 64.86 62.25 3knk h ILE 61 Cb 0.80 2.30 0.00 0.00 -3.07 0.00 0.00 36.82 36.85 3knk h ILE 61 CO 0.00 0.46 0.00 -0.62 -0.69 0.00 0.00 178.15 177.30 3knk n GLU 62 N -4.20 0.00 -4.04 2.37 4.71 -1.26 -4.59 120.64 113.63 3knk n GLU 62 Ca -0.32 0.00 -0.23 0.00 -0.01 0.00 0.00 57.16 56.60 3knk n GLU 62 Cb 0.77 0.00 -0.06 0.00 -1.01 0.00 0.00 31.44 31.14 3knk n GLU 62 CO 0.00 0.00 0.00 0.15 0.09 0.00 0.00 177.13 177.37 3knk s LYS 63 N -1.69 2.36 0.88 3.49 1.02 -1.26 -5.05 119.74 119.49 3knk s LYS 63 Ca 0.00 -1.61 -0.11 0.00 0.02 0.00 0.00 55.97 54.28 3knk s LYS 63 Cb 0.00 -2.16 0.12 0.00 -0.52 0.00 0.00 37.83 35.27 3knk s LYS 63 CO 0.00 0.02 1.14 -1.21 -0.92 0.00 0.00 175.35 174.39 3knk s GLU 64 N -3.89 1.30 0.21 1.68 8.01 -1.26 -4.31 118.70 120.45 3knk s GLU 64 Ca 0.40 1.51 0.05 0.00 0.01 0.00 0.00 54.97 56.94 3knk s GLU 64 Cb -0.01 -1.76 -0.03 0.00 -4.31 0.00 0.00 34.13 28.01 3knk s GLU 64 CO 0.23 -2.41 0.31 0.00 0.01 0.00 0.00 175.26 173.40 3knk s ALA 65 N -2.63 3.88 0.00 5.21 0.00 0.39 -4.77 121.76 123.84 3knk s ALA 65 Ca 0.67 -1.20 0.00 0.00 0.00 0.00 0.00 51.96 51.43 3knk s ALA 65 Cb -0.23 -1.68 0.00 0.00 0.00 0.00 0.00 23.12 21.22 3knk s ALA 65 CO 0.56 0.33 0.77 -2.30 0.00 0.00 0.00 175.76 175.13 3knk n PRO 66 N -1.11 0.00 -1.65 0.00 -0.02 -1.26 -4.61 135.00 126.34 3knk n PRO 66 Ca -0.08 0.55 0.00 0.00 -2.02 0.00 0.00 63.50 61.95 3knk n PRO 66 Cb 0.56 -1.27 0.00 0.00 -0.02 0.00 0.00 33.50 32.77 3knk n PRO 66 CO 0.00 0.00 0.00 1.47 1.98 0.00 0.00 175.50 178.95 3knk n LEU 67 N -1.74 -5.59 0.00 2.45 -0.00 -1.26 -3.73 117.00 107.12 3knk n LEU 67 Ca 0.00 2.73 0.00 0.00 -0.00 0.00 0.00 56.01 58.74 3knk n LEU 67 Cb 0.00 -2.59 0.00 0.00 -0.00 0.00 0.00 43.42 40.83 3knk n LEU 67 CO 0.00 -0.91 0.00 1.57 -0.00 0.00 0.00 177.39 178.05 3knk n HIS 68 N 0.84 0.00 0.00 1.47 -0.00 -1.26 -2.67 115.22 113.60 3knk n HIS 68 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.72 3knk n HIS 68 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 29.99 29.99 3knk n HIS 68 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 3knk n ALA 69 N -2.41 0.84 0.18 1.57 0.00 -1.26 -1.43 120.51 118.00 3knk n ALA 69 Ca 0.00 0.00 0.06 0.00 0.00 0.00 0.00 53.44 53.50 3knk n ALA 69 Cb 0.00 0.00 0.21 0.00 0.00 0.00 0.00 19.45 19.66 3knk n ALA 69 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 3knk h SER 70 N 0.00 0.00 -0.92 0.00 0.87 -1.95 -3.23 113.55 108.32 3knk h SER 70 Ca 0.00 0.00 0.08 0.00 -1.23 0.00 0.00 61.79 60.64 3knk h SER 70 Cb 0.00 0.00 -0.06 0.00 -0.44 0.00 0.00 62.40 61.90 3knk h SER 70 CO 0.00 0.37 0.59 0.11 -0.53 0.00 0.00 176.83 177.37 3knk h LYS 71 N 0.00 0.95 -6.27 2.24 1.79 -1.90 -3.43 116.57 109.95 3knk h LYS 71 Ca -0.00 -0.06 -0.58 0.00 -2.18 0.00 0.00 60.65 57.83 3knk h LYS 71 Cb 1.10 -0.21 -0.09 0.00 -1.58 0.00 0.00 32.23 31.45 3knk h LYS 71 CO 0.05 0.63 -0.61 0.14 -1.08 0.00 0.00 179.45 178.57 3knk s VAL 72 N -5.88 4.05 0.02 0.50 -7.23 -1.22 -1.25 120.40 109.39 3knk s VAL 72 Ca -0.11 -1.31 0.06 0.00 -1.81 0.00 0.00 61.98 58.80 3knk s VAL 72 Cb 0.20 -3.06 -0.02 0.00 0.56 0.00 0.00 36.38 34.06 3knk s VAL 72 CO 0.80 -0.14 -0.18 -0.13 -0.31 0.00 0.00 175.10 175.14 3knk s ARG 73 N -3.09 1.31 0.80 4.82 0.52 0.24 -4.95 118.95 118.59 3knk s ARG 73 Ca 0.29 -0.80 -0.11 0.00 -0.52 0.00 0.00 55.73 54.59 3knk s ARG 73 Cb -0.09 -1.35 0.07 0.00 0.52 0.00 0.00 34.95 34.10 3knk s ARG 73 CO 0.21 0.35 1.09 -1.25 0.02 0.00 0.00 175.30 175.72 3knk s PRO 74 N -0.92 2.07 -0.12 3.54 0.04 -1.26 0.09 135.00 138.44 3knk s PRO 74 Ca 0.06 0.75 -0.27 0.00 0.04 0.00 0.00 61.00 61.59 3knk s PRO 74 Cb -0.08 -1.91 0.06 0.00 0.04 0.00 0.00 34.50 32.62 3knk s PRO 74 CO 0.01 -1.66 0.64 -1.50 0.04 0.00 0.00 177.00 174.53 3knk s ILE 75 N -3.08 0.01 -0.21 0.56 2.07 -1.15 -2.73 121.20 116.66 3knk s ILE 75 Ca 0.61 -0.04 -0.32 0.00 -1.41 0.00 0.00 60.65 59.49 3knk s ILE 75 Cb -0.15 -0.94 0.15 0.00 0.13 0.00 0.00 42.46 41.65 3knk s ILE 75 CO 0.55 -0.02 1.21 0.00 -1.91 0.00 0.00 174.94 174.76 3knk n PRO 77 N 0.31 -1.97 0.00 0.00 -0.02 -1.26 -4.05 135.00 128.00 3knk n PRO 77 Ca -0.02 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.46 3knk n PRO 77 Cb 0.58 -2.85 0.00 0.00 -0.02 0.00 0.00 33.50 31.22 3knk n PRO 77 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3knk n ALA 78 N -1.43 0.00 -3.15 3.55 0.00 -1.26 -4.91 120.51 113.31 3knk n ALA 78 Ca 0.00 0.00 0.05 0.00 0.00 0.00 0.00 53.44 53.49 3knk n ALA 78 Cb 0.26 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 19.70 3knk n ALA 78 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3knk n GLY 80 N 5.43 1.94 1.29 0.00 0.00 -1.11 -4.95 105.19 107.80 3knk n GLY 80 Ca -0.05 -0.40 0.00 0.00 0.00 0.00 0.00 46.02 45.57 3knk n GLY 80 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3knk n LYS 81 N 6.18 -1.99 0.00 1.61 5.02 -1.26 -4.19 118.16 123.53 3knk n LYS 81 Ca 0.00 1.51 0.00 0.00 -2.02 0.00 0.00 58.31 57.80 3knk n LYS 81 Cb 0.00 -2.07 0.00 0.00 -0.02 0.00 0.00 35.03 32.94 3knk n LYS 81 CO 0.00 0.00 0.00 -2.30 -0.52 0.00 0.00 177.40 174.58 3knk n PRO 82 N -1.54 1.02 -3.43 1.97 -0.02 -1.26 -4.78 135.00 126.95 3knk n PRO 82 Ca 0.00 0.00 -0.19 0.00 -2.02 0.00 0.00 63.50 61.29 3knk n PRO 82 Cb 0.09 0.00 -0.11 0.00 -0.02 0.00 0.00 33.50 33.47 3knk n PRO 82 CO 0.00 0.00 0.00 0.95 1.98 0.00 0.00 175.50 178.43 3knk s THR 83 N -0.26 -0.35 0.00 3.45 -4.23 -1.26 -4.42 115.64 108.56 3knk s THR 83 Ca 0.00 -0.45 0.00 0.00 -1.18 0.00 0.00 61.69 60.06 3knk s THR 83 Cb 0.00 -0.93 0.00 0.00 1.34 0.00 0.00 72.50 72.91 3knk s THR 83 CO 0.00 -0.45 0.00 0.54 -0.54 0.00 0.00 174.62 174.17 3knk n ARG 84 N 5.31 2.38 -4.08 3.99 1.74 0.03 -4.89 116.66 121.13 3knk n ARG 84 Ca -0.03 0.00 -0.10 0.00 -0.77 0.00 0.00 57.85 56.94 3knk n ARG 84 Cb 0.46 0.00 -0.08 0.00 -1.02 0.00 0.00 32.46 31.83 3knk n ARG 84 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 3knk s VAL 85 N 0.53 0.02 0.11 1.55 1.01 -1.26 -2.93 120.40 119.42 3knk s VAL 85 Ca 0.00 -1.67 -0.12 0.00 0.00 0.00 0.00 61.98 60.20 3knk s VAL 85 Cb 0.00 -2.25 0.01 0.00 0.00 0.00 0.00 36.38 34.14 3knk s VAL 85 CO 0.00 -0.08 0.28 -0.60 0.00 0.00 0.00 175.10 174.70 3knk s ARG 86 N -4.07 0.95 -0.00 2.72 3.52 0.26 -4.62 118.95 117.71 3knk s ARG 86 Ca 0.28 -0.87 -0.24 0.00 -0.13 0.00 0.00 55.73 54.77 3knk s ARG 86 Cb 0.03 0.40 -0.19 0.00 -1.56 0.00 0.00 34.95 33.64 3knk s ARG 86 CO 0.08 -0.34 1.29 1.57 -0.81 0.00 0.00 175.30 177.10 3knk h LYS 87 N 2.58 0.11 0.00 5.12 2.10 -1.88 -2.36 116.57 122.24 3knk h LYS 87 Ca -0.34 -0.06 0.00 0.00 -2.00 0.00 0.00 60.65 58.25 3knk h LYS 87 Cb 1.22 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.56 3knk h LYS 87 CO 0.52 0.57 0.00 1.63 -2.00 0.00 0.00 179.45 180.17 3knk n LYS 88 N -4.76 0.00 -2.20 0.07 4.01 -1.26 -3.58 118.16 110.44 3knk n LYS 88 Ca -0.08 0.00 -0.16 0.00 -0.51 0.00 0.00 58.31 57.56 3knk n LYS 88 Cb 0.29 -3.69 -0.02 0.00 -0.51 0.00 0.00 35.03 31.10 3knk n LYS 88 CO 0.00 0.00 0.00 0.34 -1.11 0.00 0.00 177.40 176.63 3knk n PHE 89 N -2.00 -1.01 0.00 2.13 7.35 -1.26 -4.26 117.46 118.41 3knk n PHE 89 Ca 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 56.69 3knk n PHE 89 Cb 0.00 -3.18 0.00 0.00 0.35 0.00 0.00 39.48 36.65 3knk n PHE 89 CO 0.00 0.00 0.00 1.47 -0.76 0.00 0.00 176.76 177.47 3knk n LEU 90 N -2.70 0.00 0.00 -2.13 -0.00 -1.24 -5.14 117.00 105.79 3knk n LEU 90 Ca -0.18 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 55.83 3knk n LEU 90 Cb 0.61 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 44.03 3knk n LEU 90 CO 0.22 0.00 0.00 -0.62 -0.00 0.00 0.00 177.39 176.99 3knk n GLU 91 N 0.00 0.00 -3.15 1.47 -0.58 -1.23 -5.17 120.64 111.98 3knk n GLU 91 Ca 0.00 0.00 0.06 0.00 -0.42 0.00 0.00 57.16 56.80 3knk n GLU 91 Cb 0.00 0.00 -0.01 0.00 -0.57 0.00 0.00 31.44 30.86 3knk n GLU 91 CO 0.00 0.00 0.00 1.21 -0.48 0.00 0.00 177.13 177.86 3knk s ASN 92 N 1.00 -0.17 0.46 1.62 3.84 -1.26 -4.73 114.94 115.70 3knk s ASN 92 Ca 0.00 0.07 0.07 0.00 0.21 0.00 0.00 52.86 53.21 3knk s ASN 92 Cb 0.00 1.13 -0.00 0.00 -0.55 0.00 0.00 41.25 41.83 3knk s ASN 92 CO 0.00 -0.03 0.39 -0.83 -2.79 0.00 0.00 177.10 173.84 3knk s GLY 93 N 2.98 2.20 -0.31 1.21 0.00 -0.89 -4.89 107.32 107.63 3knk s GLY 93 Ca 0.07 -1.75 0.03 0.00 0.00 0.00 0.00 44.72 43.07 3knk s GLY 93 CO -0.13 -1.79 0.00 -1.59 0.00 0.00 0.00 173.10 169.59 3knk s LYS 94 N -4.18 1.65 0.24 2.90 -2.85 -1.26 0.91 119.74 117.15 3knk s LYS 94 Ca 0.44 -1.62 -0.02 0.00 -1.00 0.00 0.00 55.97 53.78 3knk s LYS 94 Cb -0.02 -3.00 0.05 0.00 -2.06 0.00 0.00 37.83 32.80 3knk s LYS 94 CO 0.26 -0.82 0.33 1.63 0.10 0.00 0.00 175.35 176.85 3knk n LYS 95 N 4.37 0.11 0.00 1.78 5.02 -1.15 -3.70 118.16 124.60 3knk n LYS 95 Ca -0.02 -0.73 0.00 0.00 -2.02 0.00 0.00 58.31 55.54 3knk n LYS 95 Cb 0.42 -0.27 0.00 0.00 -0.02 0.00 0.00 35.03 35.16 3knk n LYS 95 CO 0.00 0.00 0.00 -0.89 -0.52 0.00 0.00 177.40 175.99 3knk n ILE 96 N -2.08 0.00 -3.40 -0.18 5.41 -1.26 -0.79 119.36 117.06 3knk n ILE 96 Ca 0.05 0.00 -0.38 0.00 1.00 0.00 0.00 62.75 63.42 3knk n ILE 96 Cb 0.17 0.00 -0.04 0.00 -0.71 0.00 0.00 39.64 39.07 3knk n ILE 96 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 176.55 175.41 3knk n ARG 97 N 0.00 3.24 -2.03 0.38 3.00 -1.26 -3.96 116.66 116.03 3knk n ARG 97 Ca 0.00 -4.52 -0.01 0.00 -0.00 0.00 0.00 57.85 53.31 3knk n ARG 97 Cb 0.00 -2.44 0.00 0.00 0.00 0.00 0.00 32.46 30.02 3knk n ARG 97 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.63 177.91 3knk n VAL 98 N 1.92 -4.82 0.00 5.15 0.31 -1.26 -5.03 118.33 114.60 3knk n VAL 98 Ca 0.24 0.11 0.00 0.00 -0.01 0.00 0.00 64.34 64.69 3knk n VAL 98 Cb 0.37 -4.97 0.00 0.00 -0.91 0.00 0.00 33.84 28.33 3knk n VAL 98 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3knk n ALA 100 N -3.00 0.00 -0.41 0.00 0.00 -1.26 -4.71 120.51 111.12 3knk n ALA 100 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 3knk n ALA 100 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 3knk n ALA 100 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 3knk n LYS 101 N 0.00 0.00 0.00 0.00 4.81 -1.26 -4.12 118.16 117.60 3knk n LYS 101 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.44 3knk n LYS 101 Cb 0.00 -0.41 0.00 0.00 0.02 0.00 0.00 35.03 34.64 3knk n LYS 101 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57