#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3knl n ALA 20 N 0.00 -0.14 -2.48 3.14 0.00 -1.26 -5.08 120.51 114.69 3knl n ALA 20 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 53.44 53.02 3knl n ALA 20 Cb 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.42 3knl n ALA 20 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 3knl s LYS 21 N -2.05 4.40 0.39 0.00 -0.14 -1.26 -4.95 119.74 116.12 3knl s LYS 21 Ca 0.00 1.67 0.18 0.00 -1.36 0.00 0.00 55.97 56.46 3knl s LYS 21 Cb 0.00 -3.49 0.78 0.00 -1.68 0.00 0.00 37.83 33.44 3knl s LYS 21 CO 0.00 -0.35 1.79 0.28 -0.76 0.00 0.00 175.35 176.31 3knl h VAL 22 N 4.86 0.94 -0.34 3.17 2.07 -1.33 -3.25 116.25 122.37 3knl h VAL 22 Ca -0.37 -1.37 0.07 0.00 0.82 0.00 0.00 66.70 65.85 3knl h VAL 22 Cb 1.18 1.81 -0.08 0.00 -1.52 0.00 0.00 31.29 32.69 3knl h VAL 22 CO 0.85 0.35 -0.16 0.50 0.02 0.00 0.00 177.57 179.13 3knl h LYS 23 N 0.00 -0.10 -0.97 1.57 1.63 -1.08 -2.20 116.57 115.42 3knl h LYS 23 Ca -0.00 0.01 -0.64 0.00 -0.85 0.00 0.00 60.65 59.17 3knl h LYS 23 Cb 0.79 0.02 -0.30 0.00 -0.60 0.00 0.00 32.23 32.14 3knl h LYS 23 CO 0.05 -0.07 0.72 0.00 -3.45 0.00 0.00 179.45 176.70 3knl n ALA 24 N -2.76 6.11 0.36 5.00 0.00 -1.23 -3.96 120.51 124.04 3knl n ALA 24 Ca 0.01 -3.40 0.05 0.00 0.00 0.00 0.00 53.44 50.11 3knl n ALA 24 Cb 0.25 -1.62 -0.07 0.00 0.00 0.00 0.00 19.45 18.01 3knl n ALA 24 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 3knl n THR 25 N -0.95 0.00 -4.56 0.00 -1.04 -0.83 -4.95 114.28 101.96 3knl n THR 25 Ca 0.61 -0.25 -0.24 0.00 -2.04 0.00 0.00 64.05 62.13 3knl n THR 25 Cb 0.85 0.76 -0.14 0.00 -1.82 0.00 0.00 70.33 69.98 3knl n THR 25 CO 0.00 0.00 0.00 -0.76 -0.64 0.00 0.00 175.07 173.67 3knl s LEU 26 N -2.93 2.17 0.00 -4.42 1.43 -1.25 -5.12 118.68 108.56 3knl s LEU 26 Ca 0.02 -0.50 0.00 0.00 -1.03 0.00 0.00 54.13 52.61 3knl s LEU 26 Cb 0.08 -0.87 0.00 0.00 0.03 0.00 0.00 46.19 45.43 3knl s LEU 26 CO 0.47 0.13 0.00 0.61 0.23 0.00 0.00 176.35 177.78 3knl n GLY 27 N 1.86 -1.21 3.77 -3.19 0.00 -1.26 -4.93 105.19 100.23 3knl n GLY 27 Ca -0.17 -1.19 -0.34 0.00 0.00 0.00 0.00 46.02 44.32 3knl n GLY 27 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3knl s GLU 28 N 0.00 3.02 0.00 1.61 2.12 -1.26 -5.04 118.70 119.16 3knl s GLU 28 Ca 0.00 1.46 -0.28 0.00 0.36 0.00 0.00 54.97 56.51 3knl s GLU 28 Cb 0.00 -1.97 0.10 0.00 0.26 0.00 0.00 34.13 32.52 3knl s GLU 28 CO 0.00 -1.09 0.86 -0.59 -0.54 0.00 0.00 175.26 173.90 3knl s PHE 29 N -2.15 -0.38 -0.90 5.30 -0.00 -1.26 -5.11 117.98 113.49 3knl s PHE 29 Ca 0.69 0.28 -0.15 0.00 -0.00 0.00 0.00 56.93 57.74 3knl s PHE 29 Cb -0.21 0.53 0.19 0.00 -0.00 0.00 0.00 43.02 43.53 3knl s PHE 29 CO 0.36 -0.57 0.94 0.34 -0.00 0.00 0.00 175.22 176.30 3knl s ASP 30 N -2.39 6.76 0.00 1.98 2.15 -1.26 -4.90 116.67 119.02 3knl s ASP 30 Ca 0.04 -2.52 0.00 0.00 0.43 0.00 0.00 52.55 50.49 3knl s ASP 30 Cb -0.01 -2.29 0.00 0.00 -0.30 0.00 0.00 42.92 40.33 3knl s ASP 30 CO -0.08 -0.74 0.22 0.00 -0.17 0.00 0.00 175.17 174.40 3knl n LEU 31 N 4.88 0.63 0.00 -1.34 -0.00 -1.26 0.04 117.00 119.95 3knl n LEU 31 Ca 0.19 -0.32 0.00 0.00 -0.00 0.00 0.00 56.01 55.88 3knl n LEU 31 Cb 0.47 -0.13 0.00 0.00 -0.00 0.00 0.00 43.42 43.76 3knl n LEU 31 CO 0.41 0.11 0.17 -1.14 -0.00 0.00 0.00 177.39 176.94 3knl n ARG 32 N 0.74 -0.24 -3.10 1.47 3.00 -1.26 -3.78 116.66 113.48 3knl n ARG 32 Ca 0.00 -0.37 -0.41 0.00 -0.00 0.00 0.00 57.85 57.07 3knl n ARG 32 Cb 0.11 -0.77 -0.06 0.00 0.00 0.00 0.00 32.46 31.74 3knl n ARG 32 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.63 177.97 3knl s ASP 33 N -0.07 6.51 -0.43 6.15 3.68 0.11 -4.93 116.67 127.68 3knl s ASP 33 Ca 0.00 0.46 0.03 0.00 2.13 0.00 0.00 52.55 55.16 3knl s ASP 33 Cb 0.00 -2.33 0.56 0.00 -1.45 0.00 0.00 42.92 39.70 3knl s ASP 33 CO 0.00 -0.48 1.85 0.00 0.13 0.00 0.00 175.17 176.67 3knl n TYR 34 N 5.89 2.74 -0.03 -5.34 0.18 -1.26 -4.50 117.16 114.84 3knl n TYR 34 Ca -0.01 -1.87 -0.07 0.00 1.88 0.00 0.00 57.90 57.84 3knl n TYR 34 Cb 0.49 -0.94 -0.02 0.00 -0.38 0.00 0.00 39.34 38.48 3knl n TYR 34 CO 0.00 0.00 0.00 0.54 -2.08 0.00 0.00 176.86 175.32 3knl n ARG 35 N -0.91 0.16 -1.79 -3.48 5.12 -1.26 -4.31 116.66 110.20 3knl n ARG 35 Ca 0.53 0.07 -0.20 0.00 -1.93 0.00 0.00 57.85 56.33 3knl n ARG 35 Cb 1.40 -0.78 -0.09 0.00 -1.16 0.00 0.00 32.46 31.84 3knl n ARG 35 CO 0.00 0.00 0.00 0.54 -1.93 0.00 0.00 177.63 176.24 3knl s ASN 36 N -5.78 4.14 0.47 0.55 2.20 -1.26 -4.77 114.94 110.49 3knl s ASN 36 Ca -0.10 -0.99 0.35 0.00 -0.94 0.00 0.00 52.86 51.18 3knl s ASN 36 Cb 0.03 -2.58 1.51 0.00 -2.00 0.00 0.00 41.25 38.21 3knl s ASN 36 CO 0.13 -3.93 1.61 -0.37 -2.94 0.00 0.00 177.10 171.61 3knl h VAL 37 N 6.76 0.09 0.19 3.54 -1.51 -1.92 0.11 116.25 123.52 3knl h VAL 37 Ca 0.08 -0.02 -0.31 0.00 -1.23 0.00 0.00 66.70 65.23 3knl h VAL 37 Cb 0.98 0.04 0.02 0.00 -2.13 0.00 0.00 31.29 30.20 3knl h VAL 37 CO 1.10 0.01 -1.44 -0.33 -1.23 0.00 0.00 177.57 175.67 3knl h GLU 38 N 0.05 0.41 0.74 5.19 5.08 -1.96 -1.59 114.58 122.49 3knl h GLU 38 Ca 0.84 -0.70 -0.03 0.00 -1.00 0.00 0.00 59.36 58.48 3knl h GLU 38 Cb 2.86 0.26 -0.01 0.00 0.50 0.00 0.00 28.75 32.36 3knl h GLU 38 CO -0.32 1.33 -0.47 0.28 -1.00 0.00 0.00 179.01 178.83 3knl h VAL 39 N -0.03 0.06 -0.27 3.13 2.07 -1.21 -3.03 116.25 116.96 3knl h VAL 39 Ca -0.27 0.00 0.06 0.00 0.82 0.00 0.00 66.70 67.30 3knl h VAL 39 Cb 1.99 0.06 -0.05 0.00 -1.52 0.00 0.00 31.29 31.77 3knl h VAL 39 CO 0.19 0.00 -0.08 -0.07 0.02 0.00 0.00 177.57 177.63 3knl h LEU 40 N -1.14 -0.28 -1.46 2.57 3.38 -1.49 -2.39 115.31 114.50 3knl h LEU 40 Ca -0.10 0.08 0.42 0.00 0.09 0.00 0.00 57.88 58.38 3knl h LEU 40 Cb 0.92 0.18 -0.12 0.00 0.09 0.00 0.00 40.66 41.73 3knl h LEU 40 CO 0.08 -0.10 0.87 0.50 0.09 0.00 0.00 178.44 179.88 3knl h LYS 41 N -0.02 0.10 0.00 1.13 1.63 -1.17 0.29 116.57 118.53 3knl h LYS 41 Ca 0.13 -0.01 0.00 0.00 -0.85 0.00 0.00 60.65 59.93 3knl h LYS 41 Cb 0.22 -0.02 0.00 0.00 -0.60 0.00 0.00 32.23 31.82 3knl h LYS 41 CO -0.29 0.07 0.09 -2.13 -3.45 0.00 0.00 179.45 173.74 3knl n ARG 42 N -4.63 0.00 -0.00 1.90 0.63 -0.90 -1.88 116.66 111.79 3knl n ARG 42 Ca 0.36 0.28 0.05 0.00 -0.92 0.00 0.00 57.85 57.62 3knl n ARG 42 Cb 1.41 -1.59 -0.07 0.00 0.45 0.00 0.00 32.46 32.66 3knl n ARG 42 CO 0.00 0.00 0.00 1.19 -2.51 0.00 0.00 177.63 176.31 3knl n PHE 43 N -1.25 0.00 -3.21 -0.14 3.01 0.10 -4.96 117.46 111.01 3knl n PHE 43 Ca 0.00 0.00 -0.39 0.00 1.01 0.00 0.00 57.45 58.07 3knl n PHE 43 Cb 0.09 -0.13 -0.06 0.00 -0.01 0.00 0.00 39.48 39.38 3knl n PHE 43 CO 0.00 0.00 0.00 -0.51 1.01 0.00 0.00 176.76 177.26 3knl s LEU 44 N -3.15 4.42 1.34 4.37 1.43 -0.79 -1.94 118.68 124.36 3knl s LEU 44 Ca -0.00 1.16 -0.20 0.00 -1.03 0.00 0.00 54.13 54.06 3knl s LEU 44 Cb 0.07 -2.92 0.32 0.00 0.03 0.00 0.00 46.19 43.69 3knl s LEU 44 CO 0.42 0.11 0.78 -1.54 0.23 0.00 0.00 176.35 176.35 3knl n SER 45 N 2.69 -3.44 -0.31 2.29 3.41 0.17 -4.72 113.62 113.72 3knl n SER 45 Ca -0.07 -0.62 -0.04 0.00 -0.26 0.00 0.00 58.87 57.88 3knl n SER 45 Cb 0.51 -1.02 0.08 0.00 -0.26 0.00 0.00 64.21 63.52 3knl n SER 45 CO 0.00 0.00 0.00 -0.33 -0.16 0.00 0.00 175.04 174.55 3knl h GLU 46 N -3.26 1.12 -0.68 4.33 4.39 -1.97 -0.24 114.58 118.27 3knl h GLU 46 Ca -0.44 -0.07 0.06 0.00 0.34 0.00 0.00 59.36 59.25 3knl h GLU 46 Cb 1.26 -0.25 -0.04 0.00 -0.10 0.00 0.00 28.75 29.62 3knl h GLU 46 CO 0.29 0.75 0.45 1.15 -1.16 0.00 0.00 179.01 180.49 3knl h THR 47 N 1.15 1.02 0.00 1.13 2.02 -1.89 -3.42 112.91 112.91 3knl h THR 47 Ca 0.31 -0.24 0.00 0.00 0.77 0.00 0.00 66.41 67.25 3knl h THR 47 Cb -0.12 0.26 0.00 0.00 -1.74 0.00 0.00 68.15 66.55 3knl h THR 47 CO -0.07 0.13 0.00 0.61 0.37 0.00 0.00 175.52 176.56 3knl n GLY 48 N -1.46 1.46 3.85 2.16 0.00 -0.10 0.22 105.19 111.32 3knl n GLY 48 Ca 0.10 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.80 3knl n GLY 48 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3knl s LYS 49 N -0.13 3.93 0.32 1.61 1.02 -1.26 -4.59 119.74 120.64 3knl s LYS 49 Ca 0.00 0.75 -0.29 0.00 0.02 0.00 0.00 55.97 56.45 3knl s LYS 49 Cb 0.00 -2.28 -0.10 0.00 -0.52 0.00 0.00 37.83 34.93 3knl s LYS 49 CO 0.00 -0.09 1.41 0.42 -0.92 0.00 0.00 175.35 176.17 3knl s ILE 50 N -2.38 2.48 0.48 2.17 -1.09 -1.26 0.44 121.20 122.03 3knl s ILE 50 Ca 0.56 0.45 -0.14 0.00 -2.23 0.00 0.00 60.65 59.29 3knl s ILE 50 Cb -0.10 -3.29 -0.07 0.00 -1.58 0.00 0.00 42.46 37.42 3knl s ILE 50 CO 0.27 0.10 0.91 -0.76 -1.23 0.00 0.00 174.94 174.22 3knl s LEU 51 N -1.39 3.68 1.22 2.97 1.43 -0.82 -4.74 118.68 121.05 3knl s LEU 51 Ca 0.54 1.41 -0.18 0.00 -1.03 0.00 0.00 54.13 54.87 3knl s LEU 51 Cb -0.43 -4.33 0.29 0.00 0.03 0.00 0.00 46.19 41.76 3knl s LEU 51 CO 0.53 -0.53 1.04 -2.16 0.23 0.00 0.00 176.35 175.46 3knl s PRO 52 N -4.03 -1.35 0.16 1.29 0.04 -1.26 -4.88 135.00 124.97 3knl s PRO 52 Ca 0.56 0.28 -0.09 0.00 0.04 0.00 0.00 61.00 61.78 3knl s PRO 52 Cb -0.10 -1.55 -0.00 0.00 0.04 0.00 0.00 34.50 32.89 3knl s PRO 52 CO 0.32 -3.87 1.50 -0.09 0.04 0.00 0.00 177.00 174.90 3knl h ARG 53 N -2.70 0.90 0.00 4.56 9.65 -1.96 -3.17 114.38 121.65 3knl h ARG 53 Ca -0.50 -0.46 0.00 0.00 -1.10 0.00 0.00 59.98 57.91 3knl h ARG 53 Cb 1.32 0.01 0.00 0.00 -1.39 0.00 0.00 29.97 29.92 3knl h ARG 53 CO 0.41 1.11 0.00 0.54 2.80 0.00 0.00 179.97 184.83 3knl n ARG 54 N -4.06 0.00 0.07 0.20 1.74 -1.26 0.71 116.66 114.06 3knl n ARG 54 Ca -0.02 0.46 0.04 0.00 -0.77 0.00 0.00 57.85 57.56 3knl n ARG 54 Cb 0.54 -1.07 0.22 0.00 -1.02 0.00 0.00 32.46 31.12 3knl n ARG 54 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 3knl n ARG 55 N -1.17 0.05 -0.04 5.56 5.12 -1.25 -3.06 116.66 121.87 3knl n ARG 55 Ca 0.00 0.51 -0.04 0.00 -1.93 0.00 0.00 57.85 56.39 3knl n ARG 55 Cb 0.00 -1.75 -0.01 0.00 -1.16 0.00 0.00 32.46 29.53 3knl n ARG 55 CO 0.00 0.00 0.00 0.25 -1.93 0.00 0.00 177.63 175.95 3knl n THR 56 N -1.75 0.70 0.00 0.55 -2.24 -0.91 -2.77 114.28 107.85 3knl n THR 56 Ca -0.01 0.34 0.00 0.00 -2.27 0.00 0.00 64.05 62.11 3knl n THR 56 Cb 0.09 -1.90 0.00 0.00 -2.10 0.00 0.00 70.33 66.43 3knl n THR 56 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3knl n GLY 57 N 1.50 1.34 2.45 3.38 0.00 0.22 -0.51 105.19 113.56 3knl n GLY 57 Ca -0.06 -0.15 -0.29 0.00 0.00 0.00 0.00 46.02 45.51 3knl n GLY 57 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3knl n LEU 58 N 0.00 -4.93 -4.83 0.99 4.32 -1.26 -4.95 117.00 106.34 3knl n LEU 58 Ca 0.00 0.15 -0.30 0.00 -0.02 0.00 0.00 56.01 55.84 3knl n LEU 58 Cb 0.00 -0.62 0.18 0.00 -1.62 0.00 0.00 43.42 41.36 3knl n LEU 58 CO 0.00 -4.92 0.79 -0.55 -1.22 0.00 0.00 177.39 171.48 3knl s SER 59 N -0.82 2.88 0.04 -1.43 0.15 -1.26 -4.72 113.70 108.54 3knl s SER 59 Ca 0.33 0.52 -0.29 0.00 0.70 0.00 0.00 55.95 57.20 3knl s SER 59 Cb -0.15 -0.74 -0.17 0.00 -1.71 0.00 0.00 66.02 63.25 3knl s SER 59 CO 0.68 -2.90 1.36 0.00 1.20 0.00 0.00 173.24 173.57 3knl h ALA 60 N -1.75 -0.81 -0.71 5.45 0.00 -2.00 0.16 119.26 119.61 3knl h ALA 60 Ca -0.46 -0.20 0.15 0.00 0.00 0.00 0.00 54.91 54.40 3knl h ALA 60 Cb 1.27 0.31 -0.04 0.00 0.00 0.00 0.00 17.79 19.33 3knl h ALA 60 CO 0.44 -0.86 0.48 -0.22 0.00 0.00 0.00 179.25 179.09 3knl h LYS 61 N -0.99 0.33 0.20 0.00 3.64 -2.01 -2.78 116.57 114.96 3knl h LYS 61 Ca -0.08 -0.02 -0.01 0.00 -1.27 0.00 0.00 60.65 59.27 3knl h LYS 61 Cb 0.67 -0.07 0.00 0.00 -0.41 0.00 0.00 32.23 32.42 3knl h LYS 61 CO 0.14 0.22 -0.10 0.93 -2.27 0.00 0.00 179.45 178.37 3knl h GLU 62 N 0.34 -0.26 -0.96 1.90 5.08 -1.83 -3.14 114.58 115.70 3knl h GLU 62 Ca 0.34 0.02 0.30 0.00 -1.00 0.00 0.00 59.36 59.02 3knl h GLU 62 Cb 0.86 0.06 -0.17 0.00 0.50 0.00 0.00 28.75 30.00 3knl h GLU 62 CO -0.09 0.05 0.24 0.37 -1.00 0.00 0.00 179.01 178.57 3knl h GLN 63 N -0.98 0.08 0.29 2.33 5.75 -0.42 0.93 115.11 123.09 3knl h GLN 63 Ca -0.03 -0.00 -0.01 0.00 -0.15 0.00 0.00 58.65 58.45 3knl h GLN 63 Cb 0.43 -0.02 0.00 0.00 1.07 0.00 0.00 27.48 28.97 3knl h GLN 63 CO 0.05 0.05 -0.14 0.00 -2.65 0.00 0.00 178.83 176.14 3knl h ARG 64 N 0.08 -0.38 -0.82 1.69 3.08 -1.62 -0.49 114.38 115.93 3knl h ARG 64 Ca 0.65 0.03 0.24 0.00 0.07 0.00 0.00 59.98 60.96 3knl h ARG 64 Cb 1.46 0.09 -0.03 0.00 0.08 0.00 0.00 29.97 31.56 3knl h ARG 64 CO -0.79 -0.25 0.85 0.82 -1.07 0.00 0.00 179.97 179.53 3knl h ILE 65 N -0.44 0.20 0.04 2.04 2.04 -1.22 0.57 117.51 120.73 3knl h ILE 65 Ca -0.04 0.00 -0.00 0.00 1.00 0.00 0.00 64.86 65.82 3knl h ILE 65 Cb 0.30 0.33 0.00 0.00 -0.74 0.00 0.00 36.82 36.71 3knl h ILE 65 CO 0.07 0.00 -0.02 0.25 0.00 0.00 0.00 178.15 178.45 3knl h LEU 66 N 0.00 -0.05 -0.94 1.44 5.85 -0.66 -3.13 115.31 117.83 3knl h LEU 66 Ca 0.39 0.00 0.32 0.00 0.84 0.00 0.00 57.88 59.43 3knl h LEU 66 Cb 2.09 0.01 -0.17 0.00 0.37 0.00 0.00 40.66 42.96 3knl h LEU 66 CO -0.00 0.00 0.23 0.00 -0.34 0.00 0.00 178.44 178.33 3knl n ALA 67 N -2.08 0.69 -0.12 1.25 0.00 0.08 0.19 120.51 120.53 3knl n ALA 67 Ca -0.01 0.98 -0.02 0.00 0.00 0.00 0.00 53.44 54.40 3knl n ALA 67 Cb 0.02 -0.83 0.22 0.00 0.00 0.00 0.00 19.45 18.86 3knl n ALA 67 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.50 178.37 3knl h LYS 68 N 0.00 0.79 -0.04 0.00 6.56 -1.37 0.23 116.57 122.74 3knl h LYS 68 Ca 0.67 -0.14 -0.16 0.00 -1.06 0.00 0.00 60.65 59.96 3knl h LYS 68 Cb 1.59 -0.13 0.01 0.00 -0.57 0.00 0.00 32.23 33.13 3knl h LYS 68 CO -0.81 0.69 -0.59 1.79 -2.06 0.00 0.00 179.45 178.47 3knl h THR 69 N 0.77 1.40 -0.07 -0.16 1.35 0.21 -2.73 112.91 113.68 3knl h THR 69 Ca 0.18 -1.99 0.04 0.00 -0.55 0.00 0.00 66.41 64.08 3knl h THR 69 Cb 0.23 2.44 -0.06 0.00 -1.73 0.00 0.00 68.15 69.03 3knl h THR 69 CO -0.01 0.59 -0.32 0.40 -0.25 0.00 0.00 175.52 175.93 3knl h ILE 70 N 0.00 0.30 0.00 6.82 1.08 -0.54 0.77 117.51 125.94 3knl h ILE 70 Ca -0.06 0.00 0.00 0.00 -0.39 0.00 0.00 64.86 64.41 3knl h ILE 70 Cb 1.27 0.30 0.00 0.00 -3.07 0.00 0.00 36.82 35.32 3knl h ILE 70 CO 0.12 0.00 0.06 0.29 -0.69 0.00 0.00 178.15 177.93 3knl n LYS 71 N -5.41 0.00 -0.07 2.37 5.02 0.78 -1.58 118.16 119.27 3knl n LYS 71 Ca -0.04 0.38 -0.06 0.00 -2.02 0.00 0.00 58.31 56.58 3knl n LYS 71 Cb 0.32 -1.56 -0.02 0.00 -0.02 0.00 0.00 35.03 33.76 3knl n LYS 71 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 3knl n ARG 72 N -1.38 0.47 0.09 1.97 1.74 0.25 -3.81 116.66 115.99 3knl n ARG 72 Ca 0.00 0.47 0.20 0.00 -0.77 0.00 0.00 57.85 57.75 3knl n ARG 72 Cb 0.06 -1.65 0.69 0.00 -1.02 0.00 0.00 32.46 30.54 3knl n ARG 72 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3knl h ALA 73 N -1.00 2.11 -0.12 7.54 0.00 -0.62 0.53 119.26 127.71 3knl h ALA 73 Ca -0.00 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.87 3knl h ALA 73 Cb 0.60 0.03 -0.00 0.00 0.00 0.00 0.00 17.79 18.42 3knl h ALA 73 CO -0.00 -0.78 -0.02 0.00 0.00 0.00 0.00 179.25 178.45 3knl h ARG 74 N 0.00 0.23 0.00 0.00 3.08 -1.44 0.30 114.38 116.55 3knl h ARG 74 Ca 0.20 -0.08 -0.06 0.00 0.07 0.00 0.00 59.98 60.11 3knl h ARG 74 Cb 1.32 -0.02 -0.01 0.00 0.08 0.00 0.00 29.97 31.35 3knl h ARG 74 CO -0.00 0.50 -0.28 0.82 -1.07 0.00 0.00 179.97 179.94 3knl h ILE 75 N -0.06 1.18 0.00 2.04 2.04 -0.05 0.10 117.51 122.75 3knl h ILE 75 Ca 0.03 -0.96 0.00 0.00 1.00 0.00 0.00 64.86 64.93 3knl h ILE 75 Cb 0.41 1.52 0.00 0.00 -0.74 0.00 0.00 36.82 38.01 3knl h ILE 75 CO 0.01 0.27 0.00 0.18 0.00 0.00 0.00 178.15 178.61 3knl n LEU 76 N -4.18 0.00 -0.86 1.44 7.99 -0.92 -4.88 117.00 115.58 3knl n LEU 76 Ca -0.02 0.50 -0.02 0.00 -0.01 0.00 0.00 56.01 56.46 3knl n LEU 76 Cb 0.33 -0.50 0.01 0.00 -0.11 0.00 0.00 43.42 43.15 3knl n LEU 76 CO 0.37 -0.12 0.02 0.61 -1.51 0.00 0.00 177.39 176.77 3knl n GLY 77 N 0.79 0.74 0.23 -0.72 0.00 0.35 -4.96 105.19 101.62 3knl n GLY 77 Ca 0.05 -0.57 -0.08 0.00 0.00 0.00 0.00 46.02 45.43 3knl n GLY 77 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3knl n LEU 78 N -0.98 2.36 -4.55 0.99 4.77 0.10 -4.98 117.00 114.72 3knl n LEU 78 Ca -0.00 -0.00 -0.34 0.00 -0.03 0.00 0.00 56.01 55.63 3knl n LEU 78 Cb 0.51 -0.33 -0.11 0.00 -2.33 0.00 0.00 43.42 41.15 3knl n LEU 78 CO 0.06 0.54 -0.33 -0.76 -1.33 0.00 0.00 177.39 175.56 3knl s LEU 79 N -5.85 3.37 0.33 2.23 1.43 -0.95 -4.94 118.68 114.31 3knl s LEU 79 Ca -0.14 -0.06 -0.29 0.00 -1.03 0.00 0.00 54.13 52.62 3knl s LEU 79 Cb 0.04 -1.81 -0.10 0.00 0.03 0.00 0.00 46.19 44.35 3knl s LEU 79 CO 0.21 0.21 1.30 -2.16 0.23 0.00 0.00 176.35 176.14 3knl s PRO 80 N 0.13 4.36 0.19 1.29 0.04 -1.26 -4.17 135.00 135.58 3knl s PRO 80 Ca -0.00 2.21 0.09 0.00 0.04 0.00 0.00 61.00 63.34 3knl s PRO 80 Cb -0.13 -3.07 0.03 0.00 0.04 0.00 0.00 34.50 31.37 3knl s PRO 80 CO 0.02 -0.18 1.42 0.74 0.04 0.00 0.00 177.00 179.04 3knl h PHE 81 N 3.38 0.00 -2.62 0.56 -1.00 -1.93 -3.46 116.94 111.87 3knl h PHE 81 Ca -0.49 0.00 0.11 0.00 2.81 0.00 0.00 57.97 60.40 3knl h PHE 81 Cb 1.23 0.00 -0.08 0.00 3.61 0.00 0.00 35.95 40.70 3knl h PHE 81 CO 0.56 0.82 0.37 0.99 -1.61 0.00 0.00 178.31 179.44 3knl s THR 82 N -3.08 0.00 0.06 -1.55 2.01 -1.26 -4.66 115.64 107.16 3knl s THR 82 Ca 0.00 -0.63 -0.16 0.00 0.31 0.00 0.00 61.69 61.21 3knl s THR 82 Cb 0.11 -1.78 0.03 0.00 0.01 0.00 0.00 72.50 70.87 3knl s THR 82 CO 0.79 0.00 0.37 -1.61 -0.69 0.00 0.00 174.62 173.49 3knl s GLU 83 N -3.53 0.93 -0.19 4.92 2.02 0.60 -4.88 118.70 118.57 3knl s GLU 83 Ca 0.10 -0.50 -0.04 0.00 0.02 0.00 0.00 54.97 54.54 3knl s GLU 83 Cb -0.03 0.41 -0.02 0.00 0.10 0.00 0.00 34.13 34.59 3knl s GLU 83 CO 0.01 -0.32 -0.02 0.15 0.02 0.00 0.00 175.26 175.10 3knl s LYS 84 N -2.87 3.61 -0.22 1.61 -0.14 -1.26 -4.57 119.74 115.90 3knl s LYS 84 Ca -0.03 -0.53 -0.31 0.00 -1.36 0.00 0.00 55.97 53.74 3knl s LYS 84 Cb 0.00 -3.02 -0.14 0.00 -1.68 0.00 0.00 37.83 32.99 3knl s LYS 84 CO -0.05 0.07 0.99 -0.11 -0.76 0.00 0.00 175.35 175.49 3knl n LEU 85 N 4.05 0.54 -4.89 3.17 7.94 -1.26 -4.95 117.00 121.61 3knl n LEU 85 Ca -0.17 0.84 -0.31 0.00 -1.11 0.00 0.00 56.01 55.25 3knl n LEU 85 Cb 0.52 -0.63 -0.05 0.00 0.53 0.00 0.00 43.42 43.79 3knl n LEU 85 CO 0.32 -0.88 0.19 -0.69 -1.11 0.00 0.00 177.39 175.22 3knl s VAL 86 N 1.34 4.99 0.00 1.96 1.01 -1.26 -4.88 120.40 123.56 3knl s VAL 86 Ca 0.71 0.30 0.00 0.00 0.00 0.00 0.00 61.98 62.99 3knl s VAL 86 Cb -1.00 -3.65 0.00 0.00 0.00 0.00 0.00 36.38 31.73 3knl s VAL 86 CO 0.52 -0.12 0.00 -2.11 0.00 0.00 0.00 175.10 173.38 3knl n ARG 87 N -0.31 0.00 0.00 2.72 0.00 -1.26 -5.23 116.66 112.58 3knl n ARG 87 Ca -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.85 3knl n ARG 87 Cb 0.53 0.00 0.00 0.00 -0.00 0.00 0.00 32.46 32.99 3knl n ARG 87 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.63 178.80